0 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [0,0,0,0,0,0|2,0,1]=3 13 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.45 C#CCCCCCOCF 34a_100000766912_100015361967 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.45 C#CCCCCCOCF 7a_100000766912_100015361967 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [0,0,0,0,0,0|2,0,1]=3 20 B9R0.45 C#CCCCCCSCF 62a_100012094781_100015361967 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.45 C#CCCCCCSCF 62a_100015361967_100012094781 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [0,0,0,0,0,0|2,0,1]=3 23 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [0,0,0,0,0,0|2,0,1]=3 24 B9R0.45 C#CCCCCNCCF 2230a_100000706060_100011217306 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.45 C#CCCCCNCCF 34a_100000706060_100011217306 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.45 C#CCCCCNCCF 34a_100000724931_100010269958 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.45 C#CCCCCNCCO 2230a_100000706060_100000211926 [0,0,0,0,0,0|1,0,2]=3 28 B9R0.45 C#CCCCCNCCO 2230a_100016997473_100010269958 [0,0,0,0,0,0|1,0,2]=3 29 B9R0.45 C#CCCCCNCCO 34a_100000706060_100000211926 [0,0,0,0,0,0|1,0,2]=3 30 B9R0.45 C#CCCCCNCCO 34a_100016990907_100010269958 [0,0,0,0,0,0|1,0,2]=3 31 B9R0.45 C#CCCCCNCOC 2230a_100000706060_100000766300 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.45 C#CCCCCNCSC 2230a_100000706060_100011218213 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.45 C#CCCCCNCSC 34a_100000706060_100011218213 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.45 C#CCCCCOCCBr 34a_100000211926_100010269958 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [0,0,0,0,0,0|2,0,1]=3 36 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [0,0,0,0,0,0|2,0,1]=3 37 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [0,0,0,0,0,0|2,0,1]=3 38 B9R0.45 C#CCCCCOCCF 34a_100000766709_100011217306 [0,0,0,0,0,0|2,0,2]=4 39 B9R0.45 C#CCCCCOCCF 7a_100000766709_100011217306 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.45 C#CCCCCOCCN 34a_100000210304_100010269958 [0,0,0,0,0,0|2,0,2]=4 41 B9R0.45 C#CCCCCOCCO 34a_100000766709_100000211926 [0,0,0,0,0,0|1,0,2]=3 42 B9R0.45 C#CCCCCOCCO 7a_100000766709_100000211926 [0,0,0,0,0,0|1,0,2]=3 43 B9R0.45 C#CCCCCOCSC 34a_100000766709_100011218213 [0,0,0,0,0,0|3,0,1]=4 44 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [0,0,0,0,0,0|2,0,1]=3 45 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [0,0,0,0,0,0|2,0,1]=3 46 B9R0.45 C#CCCCCSCCF 62a_100010269958_100011217306 [0,0,0,0,0,0|2,0,2]=4 47 B9R0.45 C#CCCCCSCCF 62a_100011217306_100010269958 [0,0,0,0,0,0|2,0,2]=4 48 B9R0.45 C#CCCCCSCCO 62a_100000211926_100010269958 [0,0,0,0,0,0|1,0,2]=3 49 B9R0.45 C#CCCCCSCCO 62a_100010269958_100000211926 [0,0,0,0,0,0|1,0,2]=3 50 B9R0.45 C#CCCCCSCOC 62a_100000766300_100010269958 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.45 C#CCCCCSCOC 62a_100010269958_100000766300 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.45 C#CCCCCSCSC 62a_100010269958_100011218213 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.45 C#CCCCCSCSC 62a_100011218213_100010269958 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [0,0,0,0,0,0|2,0,1]=3 55 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [0,0,0,0,0,0|2,0,1]=3 56 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [0,0,0,0,0,0|2,0,1]=3 57 B9R0.45 C#CCCCNCCCF 2230a_100015189416_100000731252 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.45 C#CCCCNCCCF 34a_100000718082_100011934791 [0,0,0,0,0,0|2,0,2]=4 59 B9R0.45 C#CCCCNCCCF 34a_100015189416_100000695029 [0,0,0,0,0,0|2,0,2]=4 60 B9R0.45 C#CCCCNCCCO 34a_100000718082_100000230001 [0,0,0,0,0,0|1,0,2]=3 61 B9R0.45 C#CCCCNCCOC 2230a_100000209980_100000731252 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.45 C#CCCCNCCOC 34a_100000718082_100011201679 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.45 C#CCCCNCCSC 2230a_100020590264_100000731252 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.45 C#CCCCNCCSC 34a_100000718082_100000212216 [0,0,0,0,0,0|3,0,1]=4 65 B9R0.45 C#CCCCOCCCBr 34a_100011217188_100000695029 [0,0,0,0,0,0|2,0,2]=4 66 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [0,0,0,0,0,0|2,0,1]=3 67 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [0,0,0,0,0,0|2,0,1]=3 68 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [0,0,0,0,0,0|2,0,1]=3 69 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [0,0,0,0,0,0|2,0,1]=3 70 B9R0.45 C#CCCCOCCCCl 34a_100000230001_100000695029 [0,0,0,0,0,0|2,0,2]=4 71 B9R0.45 C#CCCCOCCCF 34a_100000215630_100011934791 [0,0,0,0,0,0|2,0,2]=4 72 B9R0.45 C#CCCCOCCCF 34a_100000759539_100000695029 [0,0,0,0,0,0|2,0,2]=4 73 B9R0.45 C#CCCCOCCCF 7a_100000215630_100011934791 [0,0,0,0,0,0|2,0,2]=4 74 B9R0.45 C#CCCCOCCCN 34a_100000182051_100000695029 [0,0,0,0,0,0|2,0,2]=4 75 B9R0.45 C#CCCCOCCCO 34a_100000215630_100000230001 [0,0,0,0,0,0|1,0,2]=3 76 B9R0.45 C#CCCCOCCCO 7a_100000215630_100011215043 [0,0,0,0,0,0|1,0,2]=3 77 B9R0.45 C#CCCCOCCOC 34a_100000210237_100000695029 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.45 C#CCCCOCCOC 34a_100000215630_100011201679 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.45 C#CCCCOCCOC 7a_100000215630_100000233755 [0,0,0,0,0,0|3,0,1]=4 80 B9R0.45 C#CCCCOCCSC 34a_100000215630_100000212216 [0,0,0,0,0,0|3,0,1]=4 81 B9R0.45 C#CCCCOCCSC 34a_100000230434_100000695029 [0,0,0,0,0,0|3,0,1]=4 82 B9R0.45 C#CCCCOCCSC 7a_100000215630_100000212216 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.45 C#CCCCOCCSC 7a_100000230434_100011215417 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [0,0,0,0,0,0|2,0,1]=3 85 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [0,0,0,0,0,0|2,0,1]=3 86 B9R0.45 C#CCCCSCCCF 62a_100011215417_100011934791 [0,0,0,0,0,0|2,0,2]=4 87 B9R0.45 C#CCCCSCCCF 62a_100011934791_100011215417 [0,0,0,0,0,0|2,0,2]=4 88 B9R0.45 C#CCCCSCCCO 62a_100011215043_100011215417 [0,0,0,0,0,0|1,0,2]=3 89 B9R0.45 C#CCCCSCCCO 62a_100011215417_100011215043 [0,0,0,0,0,0|1,0,2]=3 90 B9R0.45 C#CCCCSCCOC 62a_100000233755_100011215417 [0,0,0,0,0,0|3,0,1]=4 91 B9R0.45 C#CCCCSCCOC 62a_100011215417_100000233755 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.45 C#CCCCSCCSC 62a_100000212216_100011215417 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.45 C#CCCCSCCSC 62a_100011215417_100000751147 [0,0,0,0,0,0|3,0,1]=4 94 B9R0.45 C#CCCCSCOCC 62a_100000739092_100011215417 [0,0,0,0,0,0|3,0,1]=4 95 B9R0.45 C#CCCCSCOCC 62a_100011215417_100000739092 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [0,0,0,0,0,0|2,0,1]=3 97 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [0,0,0,0,0,0|2,0,1]=3 98 B9R0.45 C#CCCNCCCCF 34a_100000755551_100000729493 [0,0,0,0,0,0|2,0,2]=4 99 B9R0.45 C#CCCNCCCCO 2230a_100000750430_100000688953 [0,0,0,0,0,0|1,0,2]=3 100 B9R0.45 C#CCCNCCCCO 34a_100000750430_100000688953 [0,0,0,0,0,0|1,0,2]=3 101 B9R0.45 C#CCCNCCCCO 34a_100000755551_100011216708 [0,0,0,0,0,0|1,0,2]=3 102 B9R0.45 C#CCCNCCCOC 34a_100000755551_100000740836 [0,0,0,0,0,0|3,0,1]=4 103 B9R0.45 C#CCCNCCCOC 34a_100150723488_100000688953 [0,0,0,0,0,0|3,0,1]=4 104 B9R0.45 C#CCCNCCCSC 2230a_100000749238_100000688953 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.45 C#CCCNCCOCC 2230a_102516460346_100000688953 [0,0,0,0,0,0|3,0,1]=4 106 B9R0.45 C#CCCNCCOCC 34a_100000755551_100000210147 [0,0,0,0,0,0|3,0,1]=4 107 B9R0.45 C#CCCNCCOCC 34a_102516460346_100000688953 [0,0,0,0,0,0|3,0,1]=4 108 B9R0.45 C#CCCNCCSCC 2230a_100000106463_100000688953 [0,0,0,0,0,0|3,0,1]=4 109 B9R0.45 C#CCCNCCSCC 34a_100000755551_100000757381 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.45 C#CCCOCCCCBr 34a_100011216708_100000688953 [0,0,0,0,0,0|2,0,2]=4 111 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [0,0,0,0,0,0|2,0,1]=3 112 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [0,0,0,0,0,0|2,0,1]=3 113 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [0,0,0,0,0,0|2,0,1]=3 114 B9R0.45 C#CCCOCCCCCl 34a_100000210776_100000688953 [0,0,0,0,0,0|2,0,2]=4 115 B9R0.45 C#CCCOCCCCCl 7a_100000210776_100000688953 [0,0,0,0,0,0|2,0,2]=4 116 B9R0.45 C#CCCOCCCCF 34a_100011215631_100000729493 [0,0,0,0,0,0|2,0,2]=4 117 B9R0.45 C#CCCOCCCCF 34a_100011995726_100000688953 [0,0,0,0,0,0|2,0,2]=4 118 B9R0.45 C#CCCOCCCCF 7a_100011995726_100000688953 [0,0,0,0,0,0|2,0,2]=4 119 B9R0.45 C#CCCOCCCCI 34a_200012148704_100000688953 [0,0,0,0,0,0|2,0,2]=4 120 B9R0.45 C#CCCOCCCCN 34a_100000750430_100000688953 [0,0,0,0,0,0|2,0,2]=4 121 B9R0.45 C#CCCOCCCCO 34a_100011215631_100011216708 [0,0,0,0,0,0|1,0,2]=3 122 B9R0.45 C#CCCOCCCNC 34a_100000213112_100000688953 [0,0,0,0,0,0|3,0,1]=4 123 B9R0.45 C#CCCOCCCOC 34a_100000740835_100000688953 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.45 C#CCCOCCCOC 34a_100011215631_100000740836 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.45 C#CCCOCCCSC 34a_100000690336_100000688953 [0,0,0,0,0,0|3,0,1]=4 126 B9R0.45 C#CCCOCCCSC 7a_100000690336_100000688953 [0,0,0,0,0,0|3,0,1]=4 127 B9R0.45 C#CCCOCCOCC 34a_100000210136_100000688953 [0,0,0,0,0,0|3,0,1]=4 128 B9R0.45 C#CCCOCCOCC 34a_100011215631_100000210147 [0,0,0,0,0,0|3,0,1]=4 129 B9R0.45 C#CCCOCCOCC 7a_100000210136_100000688953 [0,0,0,0,0,0|3,0,1]=4 130 B9R0.45 C#CCCOCCSCC 34a_100000212035_100000688953 [0,0,0,0,0,0|3,0,1]=4 131 B9R0.45 C#CCCOCCSCC 34a_100011215631_100000757381 [0,0,0,0,0,0|3,0,1]=4 132 B9R0.45 C#CCCOCCSCC 7a_100000212035_100000688953 [0,0,0,0,0,0|3,0,1]=4 133 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [0,0,0,0,0,0|2,0,1]=3 134 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [0,0,0,0,0,0|2,0,1]=3 135 B9R0.45 C#CCCSCCCCF 62a_100000688953_100000729493 [0,0,0,0,0,0|2,0,2]=4 136 B9R0.45 C#CCCSCCCCF 62a_100000729493_100000688953 [0,0,0,0,0,0|2,0,2]=4 137 B9R0.45 C#CCCSCCCCO 62a_100000210776_100000688953 [0,0,0,0,0,0|1,0,2]=3 138 B9R0.45 C#CCCSCCCCO 62a_100000688953_100000210776 [0,0,0,0,0,0|1,0,2]=3 139 B9R0.45 C#CCCSCCCOC 62a_100000688953_100000709357 [0,0,0,0,0,0|3,0,1]=4 140 B9R0.45 C#CCCSCCCOC 62a_100000709357_100000688953 [0,0,0,0,0,0|3,0,1]=4 141 B9R0.45 C#CCCSCCOCC 62a_100000210147_100000688953 [0,0,0,0,0,0|3,0,1]=4 142 B9R0.45 C#CCCSCCOCC 62a_100000688953_100011215890 [0,0,0,0,0,0|3,0,1]=4 143 B9R0.45 C#CCCSCCSCC 62a_100000688953_100000757381 [0,0,0,0,0,0|3,0,1]=4 144 B9R0.45 C#CCCSCCSCC 62a_100000757381_100000688953 [0,0,0,0,0,0|3,0,1]=4 145 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [0,0,0,0,0,0|2,0,1]=3 146 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [0,0,0,0,0,0|2,0,1]=3 147 B9R0.45 C#CCNCCCCCF 34a_100000212058_100000729378 [0,0,0,0,0,0|2,0,2]=4 148 B9R0.45 C#CCNCCCCCO 2230a_100000762737_100000038162 [0,0,0,0,0,0|1,0,2]=3 149 B9R0.45 C#CCNCCCCCO 34a_100000212058_100000746330 [0,0,0,0,0,0|1,0,2]=3 150 B9R0.45 C#CCNCCCCCO 34a_100000762737_100000184674 [0,0,0,0,0,0|1,0,2]=3 151 B9R0.45 C#CCNCCCCOC 34a_100000212058_100000755781 [0,0,0,0,0,0|3,0,1]=4 152 B9R0.45 C#CCNCCCOCC 2230a_100000210961_100000038162 [0,0,0,0,0,0|3,0,1]=4 153 B9R0.45 C#CCNCCCOCC 34a_100000210961_100000184674 [0,0,0,0,0,0|3,0,1]=4 154 B9R0.45 C#CCNCCCOCC 34a_100000212058_100012232248 [0,0,0,0,0,0|3,0,1]=4 155 B9R0.45 C#CCNCCOCCC 2230a_100161115042_100000038162 [0,0,0,0,0,0|3,0,1]=4 156 B9R0.45 C#CCNCCOCCC 34a_100000212058_100011215938 [0,0,0,0,0,0|3,0,1]=4 157 B9R0.45 C#CCNCCOCCC 34a_100161115042_100000184674 [0,0,0,0,0,0|3,0,1]=4 158 B9R0.45 C#CCNCCOCCO 2230a_100000211614_100000038162 [0,0,0,0,0,0|2,0,2]=4 159 B9R0.45 C#CCNCCOCCO 34a_100000211614_100000184674 [0,0,0,0,0,0|2,0,2]=4 160 B9R0.45 C#CCNCCOCCO 34a_100000212058_100000692535 [0,0,0,0,0,0|2,0,2]=4 161 B9R0.45 C#CCNCCSCCC 2230a_100020603323_100000038162 [0,0,0,0,0,0|3,0,1]=4 162 B9R0.45 C#CCNCCSCCO 2230a_100011219999_100000038162 [0,0,0,0,0,0|2,0,2]=4 163 B9R0.45 C#CCNCOCCCC 34a_100000212058_100011995733 [0,0,0,0,0,0|3,0,1]=4 164 B9R0.45 C#CCOCCCCCBr 34a_100000746331_100000184674 [0,0,0,0,0,0|2,0,2]=4 165 B9R0.45 C#CCOCCCCCBr 7a_100000746331_100000038162 [0,0,0,0,0,0|2,0,2]=4 166 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [0,0,0,0,0,0|2,0,1]=3 167 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [0,0,0,0,0,0|2,0,1]=3 168 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [0,0,0,0,0,0|2,0,1]=3 169 B9R0.45 C#CCOCCCCCCl 34a_100000746330_100000184674 [0,0,0,0,0,0|2,0,2]=4 170 B9R0.45 C#CCOCCCCCCl 7a_100000746330_100000038162 [0,0,0,0,0,0|2,0,2]=4 171 B9R0.45 C#CCOCCCCCF 34a_100000210247_100000729378 [0,0,0,0,0,0|2,0,2]=4 172 B9R0.45 C#CCOCCCCCI 34a_200012148887_100000184674 [0,0,0,0,0,0|2,0,2]=4 173 B9R0.45 C#CCOCCCCCI 7a_200012148887_100000038162 [0,0,0,0,0,0|2,0,2]=4 174 B9R0.45 C#CCOCCCCCN 34a_100000762737_100000184674 [0,0,0,0,0,0|2,0,2]=4 175 B9R0.45 C#CCOCCCCCO 34a_100000210247_100000746330 [0,0,0,0,0,0|1,0,2]=3 176 B9R0.45 C#CCOCCCCOC 34a_100000210247_100000755781 [0,0,0,0,0,0|3,0,1]=4 177 B9R0.45 C#CCOCCCCOC 34a_100000740925_100000184674 [0,0,0,0,0,0|3,0,1]=4 178 B9R0.45 C#CCOCCCCSC 34a_100011217163_100000184674 [0,0,0,0,0,0|3,0,1]=4 179 B9R0.45 C#CCOCCCCSC 7a_100011217163_100000038162 [0,0,0,0,0,0|3,0,1]=4 180 B9R0.45 C#CCOCCCOCC 34a_100000210247_100012232248 [0,0,0,0,0,0|3,0,1]=4 181 B9R0.45 C#CCOCCCOCC 34a_100000757476_100000184674 [0,0,0,0,0,0|3,0,1]=4 182 B9R0.45 C#CCOCCCOCC 7a_100000757476_100000038162 [0,0,0,0,0,0|3,0,1]=4 183 B9R0.45 C#CCOCCCSCC 34a_100011216438_100000184674 [0,0,0,0,0,0|3,0,1]=4 184 B9R0.45 C#CCOCCCSCC 7a_100011216438_100000038162 [0,0,0,0,0,0|3,0,1]=4 185 B9R0.45 C#CCOCCNCCC 2230a_100000700922_100000210303 [0,0,0,0,0,0|3,0,1]=4 186 B9R0.45 C#CCOCCNCCC 34a_100000700922_100000210303 [0,0,0,0,0,0|3,0,1]=4 187 B9R0.45 C#CCOCCNCCO 2230a_100000700922_100000211926 [0,0,0,0,0,0|2,0,2]=4 188 B9R0.45 C#CCOCCNCCO 2230a_100016997473_100010402529 [0,0,0,0,0,0|2,0,2]=4 189 B9R0.45 C#CCOCCNCCO 34a_100000700922_100000211926 [0,0,0,0,0,0|2,0,2]=4 190 B9R0.45 C#CCOCCNCCO 34a_100016990907_100010402529 [0,0,0,0,0,0|2,0,2]=4 191 B9R0.45 C#CCOCCOCCC 34a_100000054580_100000210303 [0,0,0,0,0,0|3,0,1]=4 192 B9R0.45 C#CCOCCOCCC 34a_100000210247_100011215938 [0,0,0,0,0,0|3,0,1]=4 193 B9R0.45 C#CCOCCOCCC 34a_100000210258_100010402529 [0,0,0,0,0,0|3,0,1]=4 194 B9R0.45 C#CCOCCOCCC 34a_100000752267_100000184674 [0,0,0,0,0,0|3,0,1]=4 195 B9R0.45 C#CCOCCOCCC 7a_100000054580_100000210303 [0,0,0,0,0,0|3,0,1]=4 196 B9R0.45 C#CCOCCOCCC 7a_100000752267_100000038162 [0,0,0,0,0,0|3,0,1]=4 197 B9R0.45 C#CCOCCOCCO 34a_100000054580_100000211926 [0,0,0,0,0,0|2,0,2]=4 198 B9R0.45 C#CCOCCOCCO 34a_100000210247_100000692535 [0,0,0,0,0,0|2,0,2]=4 199 B9R0.45 C#CCOCCOCCO 7a_100000054580_100000211926 [0,0,0,0,0,0|2,0,2]=4 200 B9R0.45 C#CCOCCSCCC 34a_200000230433_100000184674 [0,0,0,0,0,0|3,0,1]=4 201 B9R0.45 C#CCOCCSCCC 62a_100000210303_100010402529 [0,0,0,0,0,0|3,0,1]=4 202 B9R0.45 C#CCOCCSCCC 62a_100010402529_100000210303 [0,0,0,0,0,0|3,0,1]=4 203 B9R0.45 C#CCOCCSCCC 7a_200000230433_100000038162 [0,0,0,0,0,0|3,0,1]=4 204 B9R0.45 C#CCOCCSCCO 62a_100000211926_100010402529 [0,0,0,0,0,0|2,0,2]=4 205 B9R0.45 C#CCOCCSCCO 62a_100010402529_100000211926 [0,0,0,0,0,0|2,0,2]=4 206 B9R0.45 C#CCOCOCCCC 34a_100000210247_100011995733 [0,0,0,0,0,0|3,0,1]=4 207 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [0,0,0,0,0,0|2,0,1]=3 208 B9R0.45 C#CCSCCCCCF 62a_100000038162_100000729378 [0,0,0,0,0,0|2,0,2]=4 209 B9R0.45 C#CCSCCCCCO 62a_100000038162_100000746330 [0,0,0,0,0,0|1,0,2]=3 210 B9R0.45 C#CCSCCCCOC 62a_100000038162_100000730899 [0,0,0,0,0,0|3,0,1]=4 211 B9R0.45 C#CCSCCCOCC 62a_100000038162_100012232248 [0,0,0,0,0,0|3,0,1]=4 212 B9R0.45 C#CCSCCOCCC 62a_100000038162_100011215938 [0,0,0,0,0,0|3,0,1]=4 213 B9R0.45 C#CCSCCOCCO 62a_100000038162_100011215305 [0,0,0,0,0,0|2,0,2]=4 214 B9R0.45 C#CCSCOCCCC 62a_100000038162_100011995733 [0,0,0,0,0,0|3,0,1]=4 215 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [0,0,0,0,0,0|2,0,2]=4 216 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [0,0,0,0,0,0|2,0,2]=4 217 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [0,0,0,0,0,0|1,0,2]=3 218 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [0,0,0,0,0,0|1,0,2]=3 219 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [0,0,0,0,0,0|2,0,2]=4 220 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,0,0,0,0,0|2,0,2]=4 221 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,0,0,0,0,0|2,0,2]=4 222 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,0,0,0,0,0|2,0,2]=4 223 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [0,0,0,0,0,0|2,0,2]=4 224 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [0,0,0,0,0,0|2,0,2]=4 225 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [0,0,0,0,0,0|2,0,2]=4 226 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [0,0,0,0,0,0|2,0,2]=4 227 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [0,0,0,0,0,0|2,0,2]=4 228 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [0,0,0,0,0,0|2,0,2]=4 229 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [0,0,0,0,0,0|2,0,2]=4 230 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [0,0,0,0,0,0|1,0,2]=3 231 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [0,0,0,0,0,0|2,0,2]=4 232 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [0,0,0,0,0,0|2,0,2]=4 233 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [0,0,0,0,0,0|2,0,2]=4 234 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [0,0,0,0,0,0|2,0,2]=4 235 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [0,0,0,0,0,0|1,0,2]=3 236 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [0,0,0,0,0,0|1,0,2]=3 237 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [0,0,0,0,0,0|2,0,1]=3 238 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [0,0,0,0,0,0|2,0,1]=3 239 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [0,0,0,0,0,0|2,0,1]=3 240 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [0,0,0,0,0,0|2,0,1]=3 241 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [0,0,0,0,0,0|2,0,1]=3 242 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [0,0,0,0,0,0|2,0,1]=3 243 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [0,0,0,0,0,0|2,0,1]=3 244 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [0,0,0,0,0,0|2,0,1]=3 245 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [0,0,0,0,0,0|2,0,1]=3 246 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [0,0,0,0,0,0|2,0,1]=3 247 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [0,0,0,0,0,0|2,0,1]=3 248 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [0,0,0,0,0,0|2,0,1]=3 249 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [0,0,0,0,0,0|2,0,1]=3 250 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [0,0,0,0,0,0|2,0,1]=3 251 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [0,0,0,0,0,0|2,0,1]=3 252 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [0,0,0,0,0,0|2,0,1]=3 253 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [0,0,0,0,0,0|2,0,2]=4 254 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [0,0,0,0,0,0|2,0,2]=4 255 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [0,0,0,0,0,0|2,0,1]=3 256 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [0,0,0,0,0,0|2,0,1]=3 257 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [0,0,0,0,0,0|2,0,2]=4 258 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [0,0,0,0,0,0|2,0,2]=4 259 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [0,0,0,0,0,0|2,0,1]=3 260 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [0,0,0,0,0,0|2,0,1]=3 261 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [0,0,0,0,0,0|2,0,2]=4 262 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [0,0,0,0,0,0|2,0,2]=4 263 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [0,0,0,0,0,0|2,0,2]=4 264 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [0,0,0,0,0,0|1,0,2]=3 265 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [0,0,0,0,0,0|1,0,2]=3 266 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [0,0,0,0,0,0|1,0,2]=3 267 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [0,0,0,0,0,0|1,0,2]=3 268 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [0,0,0,0,0,0|3,0,1]=4 269 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [0,0,0,0,0,0|3,0,1]=4 270 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [0,0,0,0,0,0|3,0,1]=4 271 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [0,0,0,0,0,0|2,0,2]=4 272 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [0,0,0,0,0,0|2,0,1]=3 273 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [0,0,0,0,0,0|2,0,1]=3 274 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [0,0,0,0,0,0|2,0,1]=3 275 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [0,0,0,0,0,0|2,0,2]=4 276 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [0,0,0,0,0,0|2,0,2]=4 277 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [0,0,0,0,0,0|2,0,2]=4 278 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [0,0,0,0,0,0|1,0,2]=3 279 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [0,0,0,0,0,0|1,0,2]=3 280 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [0,0,0,0,0,0|3,0,1]=4 281 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [0,0,0,0,0,0|2,0,1]=3 282 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [0,0,0,0,0,0|2,0,1]=3 283 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [0,0,0,0,0,0|2,0,2]=4 284 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [0,0,0,0,0,0|2,0,2]=4 285 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [0,0,0,0,0,0|1,0,2]=3 286 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [0,0,0,0,0,0|1,0,2]=3 287 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [0,0,0,0,0,0|3,0,1]=4 288 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [0,0,0,0,0,0|3,0,1]=4 289 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [0,0,0,0,0,0|3,0,1]=4 290 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [0,0,0,0,0,0|3,0,1]=4 291 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [0,0,0,0,0,0|2,0,1]=3 292 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [0,0,0,0,0,0|2,0,1]=3 293 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [0,0,0,0,0,0|2,0,1]=3 294 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [0,0,0,0,0,0|2,0,1]=3 295 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [0,0,0,0,0,0|2,0,2]=4 296 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [0,0,0,0,0,0|2,0,2]=4 297 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [0,0,0,0,0,0|2,0,2]=4 298 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [0,0,0,0,0,0|2,0,2]=4 299 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [0,0,0,0,0,0|1,0,2]=3 300 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [0,0,0,0,0,0|1,0,2]=3 301 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [0,0,0,0,0,0|3,0,1]=4 302 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [0,0,0,0,0,0|3,0,1]=4 303 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [0,0,0,0,0,0|3,0,1]=4 304 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [0,0,0,0,0,0|3,0,1]=4 305 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [0,0,0,0,0,0|3,0,1]=4 306 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [0,0,0,0,0,0|3,0,1]=4 307 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [0,0,0,0,0,0|2,0,2]=4 308 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [0,0,0,0,0,0|2,0,1]=3 309 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [0,0,0,0,0,0|2,0,1]=3 310 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [0,0,0,0,0,0|2,0,1]=3 311 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [0,0,0,0,0,0|2,0,1]=3 312 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [0,0,0,0,0,0|2,0,2]=4 313 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [0,0,0,0,0,0|2,0,2]=4 314 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [0,0,0,0,0,0|2,0,2]=4 315 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [0,0,0,0,0,0|2,0,2]=4 316 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [0,0,0,0,0,0|2,0,2]=4 317 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [0,0,0,0,0,0|1,0,2]=3 318 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [0,0,0,0,0,0|1,0,2]=3 319 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [0,0,0,0,0,0|3,0,1]=4 320 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [0,0,0,0,0,0|3,0,1]=4 321 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [0,0,0,0,0,0|3,0,1]=4 322 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [0,0,0,0,0,0|3,0,1]=4 323 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [0,0,0,0,0,0|3,0,1]=4 324 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [0,0,0,0,0,0|3,0,1]=4 325 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [0,0,0,0,0,0|3,0,1]=4 326 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [0,0,0,0,0,0|2,0,1]=3 327 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [0,0,0,0,0,0|2,0,1]=3 328 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [0,0,0,0,0,0|2,0,2]=4 329 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [0,0,0,0,0,0|2,0,2]=4 330 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [0,0,0,0,0,0|1,0,2]=3 331 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [0,0,0,0,0,0|1,0,2]=3 332 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [0,0,0,0,0,0|3,0,1]=4 333 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [0,0,0,0,0,0|3,0,1]=4 334 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [0,0,0,0,0,0|3,0,1]=4 335 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [0,0,0,0,0,0|3,0,1]=4 336 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [0,0,0,0,0,0|3,0,1]=4 337 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [0,0,0,0,0,0|3,0,1]=4 338 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [0,0,0,0,0,0|2,0,1]=3 339 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [0,0,0,0,0,0|2,0,1]=3 340 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [0,0,0,0,0,0|2,0,2]=4 341 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [0,0,0,0,0,0|1,0,2]=3 342 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [0,0,0,0,0,0|1,0,2]=3 343 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [0,0,0,0,0,0|1,0,2]=3 344 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [0,0,0,0,0,0|3,0,1]=4 345 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [0,0,0,0,0,0|3,0,1]=4 346 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [0,0,0,0,0,0|3,0,1]=4 347 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [0,0,0,0,0,0|3,0,1]=4 348 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [0,0,0,0,0,0|3,0,1]=4 349 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [0,0,0,0,0,0|3,0,1]=4 350 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [0,0,0,0,0,0|3,0,1]=4 351 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [0,0,0,0,0,0|3,0,1]=4 352 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [0,0,0,0,0,0|2,0,2]=4 353 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,0,0,0,0,0|2,0,1]=3 354 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,0,0,0,0,0|2,0,1]=3 355 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,0,0,0,0,0|2,0,1]=3 356 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [0,0,0,0,0,0|2,0,2]=4 357 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [0,0,0,0,0,0|2,0,2]=4 358 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [0,0,0,0,0,0|2,0,2]=4 359 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [0,0,0,0,0,0|2,0,2]=4 360 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [0,0,0,0,0,0|2,0,2]=4 361 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [0,0,0,0,0,0|2,0,2]=4 362 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [0,0,0,0,0,0|2,0,2]=4 363 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [0,0,0,0,0,0|1,0,2]=3 364 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [0,0,0,0,0,0|3,0,1]=4 365 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [0,0,0,0,0,0|3,0,1]=4 366 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [0,0,0,0,0,0|3,0,1]=4 367 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [0,0,0,0,0,0|3,0,1]=4 368 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [0,0,0,0,0,0|3,0,1]=4 369 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [0,0,0,0,0,0|3,0,1]=4 370 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [0,0,0,0,0,0|3,0,1]=4 371 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [0,0,0,0,0,0|3,0,1]=4 372 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [0,0,0,0,0,0|3,0,1]=4 373 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [0,0,0,0,0,0|3,0,1]=4 374 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [0,0,0,0,0,0|3,0,1]=4 375 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,0,0,0,0,0|2,0,1]=3 376 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,0,0,0,0,0|2,0,1]=3 377 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [0,0,0,0,0,0|2,0,2]=4 378 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [0,0,0,0,0,0|2,0,2]=4 379 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [0,0,0,0,0,0|1,0,2]=3 380 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [0,0,0,0,0,0|1,0,2]=3 381 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [0,0,0,0,0,0|3,0,1]=4 382 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [0,0,0,0,0,0|3,0,1]=4 383 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [0,0,0,0,0,0|3,0,1]=4 384 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [0,0,0,0,0,0|3,0,1]=4 385 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [0,0,0,0,0,0|3,0,1]=4 386 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [0,0,0,0,0,0|3,0,1]=4 387 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [0,0,0,0,0,0|2,0,1]=3 388 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [0,0,0,0,0,0|2,0,1]=3 389 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [0,0,0,0,0,0|2,0,2]=4 390 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [0,0,0,0,0,0|1,0,2]=3 391 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [0,0,0,0,0,0|1,0,2]=3 392 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [0,0,0,0,0,0|1,0,2]=3 393 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [0,0,0,0,0,0|3,0,1]=4 394 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [0,0,0,0,0,0|3,0,1]=4 395 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [0,0,0,0,0,0|3,0,1]=4 396 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [0,0,0,0,0,0|3,0,1]=4 397 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [0,0,0,0,0,0|3,0,1]=4 398 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [0,0,0,0,0,0|3,0,1]=4 399 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [0,0,0,0,0,0|3,0,1]=4 400 B9R0.45 C=CCNCCOCCO 2230a_100000211614_100000210623 [0,0,0,0,0,0|2,0,2]=4 401 B9R0.45 C=CCNCCOCCO 2230a_100020586998_100011215305 [0,0,0,0,0,0|2,0,2]=4 402 B9R0.45 C=CCNCCOCCO 34a_100000211614_100015514636 [0,0,0,0,0,0|2,0,2]=4 403 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [0,0,0,0,0,0|3,0,1]=4 404 B9R0.45 C=CCNCCSCCO 2230a_100011219999_100000210623 [0,0,0,0,0,0|2,0,2]=4 405 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [0,0,0,0,0,0|3,0,1]=4 406 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [0,0,0,0,0,0|2,0,2]=4 407 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [0,0,0,0,0,0|2,0,2]=4 408 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,0,0,0,0,0|2,0,1]=3 409 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,0,0,0,0,0|2,0,1]=3 410 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,0,0,0,0,0|2,0,1]=3 411 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [0,0,0,0,0,0|2,0,2]=4 412 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [0,0,0,0,0,0|2,0,2]=4 413 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [0,0,0,0,0,0|2,0,2]=4 414 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [0,0,0,0,0,0|2,0,2]=4 415 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [0,0,0,0,0,0|2,0,2]=4 416 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [0,0,0,0,0,0|2,0,2]=4 417 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [0,0,0,0,0,0|1,0,2]=3 418 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [0,0,0,0,0,0|3,0,1]=4 419 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [0,0,0,0,0,0|3,0,1]=4 420 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [0,0,0,0,0,0|3,0,1]=4 421 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [0,0,0,0,0,0|3,0,1]=4 422 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [0,0,0,0,0,0|3,0,1]=4 423 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [0,0,0,0,0,0|3,0,1]=4 424 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [0,0,0,0,0,0|3,0,1]=4 425 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [0,0,0,0,0,0|3,0,1]=4 426 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [0,0,0,0,0,0|3,0,1]=4 427 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [0,0,0,0,0,0|3,0,1]=4 428 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [0,0,0,0,0,0|3,0,1]=4 429 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [0,0,0,0,0,0|3,0,1]=4 430 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [0,0,0,0,0,0|3,0,1]=4 431 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [0,0,0,0,0,0|3,0,1]=4 432 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [0,0,0,0,0,0|2,0,2]=4 433 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [0,0,0,0,0,0|2,0,2]=4 434 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [0,0,0,0,0,0|2,0,2]=4 435 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [0,0,0,0,0,0|3,0,1]=4 436 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [0,0,0,0,0,0|3,0,1]=4 437 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [0,0,0,0,0,0|3,0,1]=4 438 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [0,0,0,0,0,0|2,0,1]=3 439 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [0,0,0,0,0,0|2,0,1]=3 440 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [0,0,0,0,0,0|2,0,2]=4 441 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [0,0,0,0,0,0|2,0,2]=4 442 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [0,0,0,0,0,0|1,0,2]=3 443 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [0,0,0,0,0,0|1,0,2]=3 444 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [0,0,0,0,0,0|3,0,1]=4 445 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [0,0,0,0,0,0|3,0,1]=4 446 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [0,0,0,0,0,0|3,0,1]=4 447 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [0,0,0,0,0,0|3,0,1]=4 448 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [0,0,0,0,0,0|3,0,1]=4 449 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [0,0,0,0,0,0|3,0,1]=4 450 B9R0.45 C=CCSCCOCCO 62a_100000210623_100011215305 [0,0,0,0,0,0|2,0,2]=4 451 B9R0.45 C=CCSCCOCCO 62a_100011215305_100000210623 [0,0,0,0,0,0|2,0,2]=4 452 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [0,0,0,0,0,0|3,0,1]=4 453 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [0,0,0,0,0,0|3,0,1]=4 454 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [0,0,0,0,0,0|3,0,1]=4 455 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [0,0,0,0,0,0|3,0,1]=4 456 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [0,0,0,0,0,0|3,0,1]=4 457 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [0,0,0,0,0,0|3,0,1]=4 458 B9R0.45 C=COCCCNCCO 2230a_100000210767_100000211926 [0,0,0,0,0,0|2,0,2]=4 459 B9R0.45 C=COCCCNCCO 34a_100000210767_100000211926 [0,0,0,0,0,0|2,0,2]=4 460 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [0,0,0,0,0,0|3,0,1]=4 461 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [0,0,0,0,0,0|3,0,1]=4 462 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [0,0,0,0,0,0|3,0,1]=4 463 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [0,0,0,0,0,0|3,0,1]=4 464 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [0,0,0,0,0,0|3,0,1]=4 465 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [0,0,0,0,0,0|2,0,2]=4 466 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [0,0,0,0,0,0|3,0,1]=4 467 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [0,0,0,0,0,0|3,0,1]=4 468 B9R0.45 C=COCCSCCCO 62a_100000039644_100011215043 [0,0,0,0,0,0|2,0,2]=4 469 B9R0.45 C=COCCSCCCO 62a_100011215043_100000039644 [0,0,0,0,0,0|2,0,2]=4 470 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [0,0,0,0,0,0|2,0,2]=4 471 B9R0.45 CC#CCCOCCCF 34a_100000750427_100011934791 [0,0,0,0,0,0|2,0,2]=4 472 B9R0.45 CC#CCCOCCCO 34a_100000750427_100000230001 [0,0,0,0,0,0|1,0,2]=3 473 B9R0.45 CC#CCNCCCCC 2230a_100000209983_100000748600 [0,0,0,0,0,0|2,0,2]=4 474 B9R0.45 CC#CCNCCCCC 2230a_100000685387_100000210326 [0,0,0,0,0,0|2,0,2]=4 475 B9R0.45 CC#CCNCCCCC 34a_100000685387_100000718602 [0,0,0,0,0,0|2,0,2]=4 476 B9R0.45 CC#CCNCCCCF 2230a_100000685387_100000729493 [0,0,0,0,0,0|2,0,2]=4 477 B9R0.45 CC#CCNCCCCF 34a_100000685387_100000729493 [0,0,0,0,0,0|2,0,2]=4 478 B9R0.45 CC#CCNCCCCO 2230a_100000685387_100000210776 [0,0,0,0,0,0|1,0,2]=3 479 B9R0.45 CC#CCNCCCCO 2230a_100000750430_100000748600 [0,0,0,0,0,0|1,0,2]=3 480 B9R0.45 CC#CCNCCCCO 34a_100000685387_100011216708 [0,0,0,0,0,0|1,0,2]=3 481 B9R0.45 CC#CCNCCCCO 34a_100000750430_100000748600 [0,0,0,0,0,0|1,0,2]=3 482 B9R0.45 CC#CCOCCCCBr 34a_100011216708_100000748600 [0,0,0,0,0,0|2,0,2]=4 483 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [0,0,0,0,0,0|2,0,2]=4 484 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [0,0,0,0,0,0|2,0,2]=4 485 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [0,0,0,0,0,0|2,0,2]=4 486 B9R0.45 CC#CCOCCCCCl 34a_100000210776_100000748600 [0,0,0,0,0,0|2,0,2]=4 487 B9R0.45 CC#CCOCCCCCl 7a_100000210776_100000748600 [0,0,0,0,0,0|2,0,2]=4 488 B9R0.45 CC#CCOCCCCF 34a_100000761923_100000729493 [0,0,0,0,0,0|2,0,2]=4 489 B9R0.45 CC#CCOCCCCF 34a_100011995726_100000748600 [0,0,0,0,0,0|2,0,2]=4 490 B9R0.45 CC#CCOCCCCF 7a_100011995726_100000748600 [0,0,0,0,0,0|2,0,2]=4 491 B9R0.45 CC#CCOCCCCI 34a_200012148704_100000748600 [0,0,0,0,0,0|2,0,2]=4 492 B9R0.45 CC#CCOCCCCN 34a_100000750430_100000748600 [0,0,0,0,0,0|2,0,2]=4 493 B9R0.45 CC#CCOCCCCO 34a_100000761923_100011216708 [0,0,0,0,0,0|1,0,2]=3 494 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [0,0,0,0,0,0|2,0,2]=4 495 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [0,0,0,0,0,0|2,0,2]=4 496 B9R0.45 CC#CCSCCCCF 62a_100000729493_100000748600 [0,0,0,0,0,0|2,0,2]=4 497 B9R0.45 CC#CCSCCCCF 62a_100000748600_100000729493 [0,0,0,0,0,0|2,0,2]=4 498 B9R0.45 CC#CCSCCCCO 62a_100000210776_100000748600 [0,0,0,0,0,0|1,0,2]=3 499 B9R0.45 CC#CCSCCCCO 62a_100000748600_100000210776 [0,0,0,0,0,0|1,0,2]=3 500 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [0,0,0,0,0,0|2,0,2]=4 501 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [0,0,0,0,0,0|2,0,2]=4 502 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [0,0,0,0,0,0|2,0,2]=4 503 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [0,0,0,0,0,0|2,0,2]=4 504 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [0,0,0,0,0,0|2,0,2]=4 505 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [0,0,0,0,0,0|2,0,2]=4 506 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [0,0,0,0,0,0|2,0,2]=4 507 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [0,0,0,0,0,0|2,0,2]=4 508 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [0,0,0,0,0,0|2,0,2]=4 509 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [0,0,0,0,0,0|1,0,2]=3 510 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [0,0,0,0,0,0|1,0,2]=3 511 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [0,0,0,0,0,0|2,0,2]=4 512 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [0,0,0,0,0,0|2,0,2]=4 513 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [0,0,0,0,0,0|2,0,2]=4 514 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [0,0,0,0,0,0|2,0,2]=4 515 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [0,0,0,0,0,0|2,0,2]=4 516 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [0,0,0,0,0,0|2,0,2]=4 517 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [0,0,0,0,0,0|2,0,2]=4 518 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [0,0,0,0,0,0|1,0,2]=3 519 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [0,0,0,0,0,0|1,0,2]=3 520 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [0,0,0,0,0,0|2,0,2]=4 521 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [0,0,0,0,0,0|2,0,2]=4 522 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [0,0,0,0,0,0|2,0,2]=4 523 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [0,0,0,0,0,0|2,0,2]=4 524 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [0,0,0,0,0,0|1,0,2]=3 525 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [0,0,0,0,0,0|1,0,2]=3 526 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [0,0,0,0,0,0|2,0,2]=4 527 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [0,0,0,0,0,0|2,0,2]=4 528 B9R0.45 CC/C=C\CNCCCF 2230a_100015189416_100103147603 [0,0,0,0,0,0|2,0,2]=4 529 B9R0.45 CC/C=C\CNCCCF 34a_100015189416_100103147603 [0,0,0,0,0,0|2,0,2]=4 530 B9R0.45 CC/C=C\COCCCBr 34a_100011217188_100103147603 [0,0,0,0,0,0|2,0,2]=4 531 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [0,0,0,0,0,0|2,0,2]=4 532 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [0,0,0,0,0,0|2,0,2]=4 533 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [0,0,0,0,0,0|2,0,2]=4 534 B9R0.45 CC/C=C\COCCCCl 34a_100000230001_100103147603 [0,0,0,0,0,0|2,0,2]=4 535 B9R0.45 CC/C=C\COCCCF 34a_100000759539_100103147603 [0,0,0,0,0,0|2,0,2]=4 536 B9R0.45 CC/C=C\COCCCF 34a_100016268518_100011934791 [0,0,0,0,0,0|2,0,2]=4 537 B9R0.45 CC/C=C\COCCCN 34a_100000182051_100103147603 [0,0,0,0,0,0|2,0,2]=4 538 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [0,0,0,0,0,0|1,0,2]=3 539 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [0,0,0,0,0,0|2,0,2]=4 540 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [0,0,0,0,0,0|2,0,2]=4 541 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [0,0,0,0,0,0|2,0,2]=4 542 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [0,0,0,0,0,0|2,0,2]=4 543 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [0,0,0,0,0,0|1,0,2]=3 544 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [0,0,0,0,0,0|1,0,2]=3 545 B9R0.45 CC=C=CCCOCCO 34a_100011020354_100000211926 [0,0,0,0,0,0|1,0,3]=4 546 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [0,0,0,0,0,0|2,0,2]=4 547 B9R0.45 CC=CCCCOCCF 34a_100020645299_100011217306 [0,0,0,0,0,0|2,0,2]=4 548 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [0,0,0,0,0,0|1,0,2]=3 549 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [0,0,0,0,0,0|2,0,2]=4 550 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [0,0,0,0,0,0|1,0,2]=3 551 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [0,0,0,0,0,0|1,0,2]=3 552 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [0,0,0,0,0,0|2,0,2]=4 553 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,0,0,0,0,0|2,0,2]=4 554 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,0,0,0,0,0|2,0,2]=4 555 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [0,0,0,0,0,0|2,0,2]=4 556 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [0,0,0,0,0,0|2,0,2]=4 557 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [0,0,0,0,0,0|2,0,2]=4 558 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [0,0,0,0,0,0|2,0,2]=4 559 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [0,0,0,0,0,0|2,0,2]=4 560 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [0,0,0,0,0,0|2,0,2]=4 561 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [0,0,0,0,0,0|2,0,2]=4 562 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [0,0,0,0,0,0|2,0,2]=4 563 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [0,0,0,0,0,0|2,0,2]=4 564 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [0,0,0,0,0,0|2,0,2]=4 565 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [0,0,0,0,0,0|1,0,2]=3 566 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [0,0,0,0,0,0|1,0,2]=3 567 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [0,0,0,0,0,0|2,0,2]=4 568 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [0,0,0,0,0,0|2,0,2]=4 569 B9R0.45 CCC#CCCOCCF 34a_100000036655_100011217306 [0,0,0,0,0,0|2,0,2]=4 570 B9R0.45 CCC#CCCOCCF 7a_100000036655_100011217306 [0,0,0,0,0,0|2,0,2]=4 571 B9R0.45 CCC#CCCOCCO 34a_100000036655_100000211926 [0,0,0,0,0,0|1,0,2]=3 572 B9R0.45 CCC#CCCOCCO 7a_100000036655_100000211926 [0,0,0,0,0,0|1,0,2]=3 573 B9R0.45 CCC#CCNCCCC 2230a_100000102301_100009813939 [0,0,0,0,0,0|2,0,2]=4 574 B9R0.45 CCC#CCNCCCC 7a_106832991798_100009813939 [0,0,0,0,0,0|2,0,2]=4 575 B9R0.45 CCC#CCNCCCF 2230a_100015189416_100009813939 [0,0,0,0,0,0|2,0,2]=4 576 B9R0.45 CCC#CCNCCCF 34a_100015189416_100009813939 [0,0,0,0,0,0|2,0,2]=4 577 B9R0.45 CCC#CCOCCCBr 34a_100011217188_100009813939 [0,0,0,0,0,0|2,0,2]=4 578 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [0,0,0,0,0,0|2,0,2]=4 579 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [0,0,0,0,0,0|2,0,2]=4 580 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [0,0,0,0,0,0|2,0,2]=4 581 B9R0.45 CCC#CCOCCCCl 34a_100000230001_100009813939 [0,0,0,0,0,0|2,0,2]=4 582 B9R0.45 CCC#CCOCCCF 34a_100000032950_100011934791 [0,0,0,0,0,0|2,0,2]=4 583 B9R0.45 CCC#CCOCCCF 34a_100000759539_100009813939 [0,0,0,0,0,0|2,0,2]=4 584 B9R0.45 CCC#CCOCCCN 34a_100000182051_100009813939 [0,0,0,0,0,0|2,0,2]=4 585 B9R0.45 CCC#CCOCCCO 34a_100000032950_100000230001 [0,0,0,0,0,0|1,0,2]=3 586 B9R0.45 CCC#CCSCCCC 62a_100000210211_100009813939 [0,0,0,0,0,0|2,0,2]=4 587 B9R0.45 CCC#CCSCCCC 62a_100009813939_100000210210 [0,0,0,0,0,0|2,0,2]=4 588 B9R0.45 CCC#CCSCCCF 62a_100009813939_100011934791 [0,0,0,0,0,0|2,0,2]=4 589 B9R0.45 CCC#CCSCCCF 62a_100011934791_100009813939 [0,0,0,0,0,0|2,0,2]=4 590 B9R0.45 CCC#CCSCCCO 62a_100009813939_100011215043 [0,0,0,0,0,0|1,0,2]=3 591 B9R0.45 CCC#CCSCCCO 62a_100011215043_100009813939 [0,0,0,0,0,0|1,0,2]=3 592 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [0,0,0,0,0,0|2,0,2]=4 593 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [0,0,0,0,0,0|2,0,2]=4 594 B9R0.45 CCC/C=C/COCCF 34a_100016278788_100011217306 [0,0,0,0,0,0|2,0,2]=4 595 B9R0.45 CCC/C=C/COCCF 7a_100016278788_100011217306 [0,0,0,0,0,0|2,0,2]=4 596 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [0,0,0,0,0,0|1,0,2]=3 597 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [0,0,0,0,0,0|1,0,2]=3 598 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [0,0,0,0,0,0|3,0,1]=4 599 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [0,0,0,0,0,0|2,0,2]=4 600 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [0,0,0,0,0,0|2,0,2]=4 601 B9R0.45 CCCC#CCCOCF 34a_100000042726_100015361967 [0,0,0,0,0,0|2,0,2]=4 602 B9R0.45 CCCC#CCCOCF 7a_100000042726_100015361967 [0,0,0,0,0,0|2,0,2]=4 603 B9R0.45 CCCC#CCOCCC 34a_100000034806_100000210303 [0,0,0,0,0,0|2,0,2]=4 604 B9R0.45 CCCC#CCOCCC 7a_100000034806_100000210303 [0,0,0,0,0,0|2,0,2]=4 605 B9R0.45 CCCC#CCOCCF 34a_100000034806_100011217306 [0,0,0,0,0,0|2,0,2]=4 606 B9R0.45 CCCC#CCOCCF 7a_100000034806_100011217306 [0,0,0,0,0,0|2,0,2]=4 607 B9R0.45 CCCC#CCOCCO 34a_100000034806_100000211926 [0,0,0,0,0,0|1,0,2]=3 608 B9R0.45 CCCC#CCOCCO 7a_100000034806_100000211926 [0,0,0,0,0,0|1,0,2]=3 609 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [0,0,0,0,0,0|2,0,2]=4 610 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [0,0,0,0,0,0|2,0,2]=4 611 B9R0.45 CCCC/C=C/COCF 34a_200016272032_100015361967 [0,0,0,0,0,0|2,0,2]=4 612 B9R0.45 CCCC/C=C/COCF 7a_200016272032_100015361967 [0,0,0,0,0,0|2,0,2]=4 613 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [0,0,0,0,0,0|2,0,2]=4 614 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [0,0,0,0,0,0|2,0,2]=4 615 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [0,0,0,0,0,0|2,0,2]=4 616 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [0,0,0,0,0,0|2,0,2]=4 617 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [0,0,0,0,0,0|3,0,1]=4 618 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [0,0,0,0,0,0|2,0,2]=4 619 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [0,0,0,0,0,0|2,0,2]=4 620 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [0,0,0,0,0,0|2,0,2]=4 621 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [0,0,0,0,0,0|2,0,2]=4 622 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [0,0,0,0,0,0|2,0,2]=4 623 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [0,0,0,0,0,0|2,0,2]=4 624 B9R0.45 CCCCC#CCOCF 34a_200000034558_100015361967 [0,0,0,0,0,0|2,0,2]=4 625 B9R0.45 CCCCC#CCOCF 7a_200000034558_100015361967 [0,0,0,0,0,0|2,0,2]=4 626 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [0,0,0,0,0,0|2,0,2]=4 627 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [0,0,0,0,0,0|2,0,2]=4 628 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [0,0,0,0,0,0|2,0,2]=4 629 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [0,0,0,0,0,0|2,0,2]=4 630 B9R0.45 CCCCC=NNCCC 4a_100000740057_100000210104 [0,0,0,0,0,0|3,0,1]=4 631 B9R0.45 CCCCC=NNCCO 4a_100000210001_100000210104 [0,0,0,0,0,0|2,0,1]=3 632 B9R0.45 CCCCCC#CCNC 2230a_106832991635_100009816472 [0,0,0,0,0,0|2,0,2]=4 633 B9R0.45 CCCCCC#CCNC 34a_100102657272_100009816472 [0,0,0,0,0,0|2,0,2]=4 634 B9R0.45 CCCCCC#CCNC 7a_106832991635_100009816472 [0,0,0,0,0,0|2,0,2]=4 635 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [0,0,0,0,0,0|2,0,2]=4 636 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [0,0,0,0,0,0|2,0,2]=4 637 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [0,0,0,0,0,0|2,0,2]=4 638 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [0,0,0,0,0,0|2,0,2]=4 639 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [0,0,0,0,0,0|2,0,2]=4 640 B9R0.45 CCCCCC#CCSC 62a_100009816472_200000210301 [0,0,0,0,0,0|2,0,2]=4 641 B9R0.45 CCCCCC#CCSC 62a_200000210301_100009816472 [0,0,0,0,0,0|2,0,2]=4 642 B9R0.45 CCCCCC#CCS[13CH3] 62a_100009816472_200025704644 [0,0,0,0,0,0|2,0,2]=4 643 B9R0.45 CCCCCC#CCS[13CH3] 62a_200025704644_100009816472 [0,0,0,0,0,0|2,0,2]=4 644 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [0,0,0,0,0,0|3,0,1]=4 645 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [0,0,0,0,0,0|2,0,0]=2 646 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [0,0,0,0,0,0|2,0,0]=2 647 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [0,0,0,0,0,0|2,0,0]=2 648 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [0,0,0,0,0,0|2,0,0]=2 649 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [0,0,0,0,0,0|2,0,0]=2 650 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [0,0,0,0,0,0|2,0,0]=2 651 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [0,0,0,0,0,0|2,0,0]=2 652 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [0,0,0,0,0,0|2,0,0]=2 653 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [0,0,0,0,0,0|2,0,0]=2 654 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [0,0,0,0,0,0|2,0,0]=2 655 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [0,0,0,0,0,0|2,0,0]=2 656 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [0,0,0,0,0,0|2,0,0]=2 657 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [0,0,0,0,0,0|2,0,0]=2 658 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [0,0,0,0,0,0|2,0,0]=2 659 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [0,0,0,0,0,0|2,0,0]=2 660 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [0,0,0,0,0,0|2,0,0]=2 661 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [0,0,0,0,0,0|2,0,0]=2 662 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [0,0,0,0,0,0|2,0,0]=2 663 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,0,0,0,0,0|2,0,0]=2 664 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,0,0,0,0,0|2,0,0]=2 665 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,0,0,0,0,0|2,0,0]=2 666 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [0,0,0,0,0,0|2,0,0]=2 667 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [0,0,0,0,0,0|2,0,0]=2 668 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [0,0,0,0,0,0|2,0,0]=2 669 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [0,0,0,0,0,0|2,0,0]=2 670 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [0,0,0,0,0,0|2,0,0]=2 671 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [0,0,0,0,0,0|2,0,0]=2 672 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [0,0,0,0,0,0|2,0,1]=3 673 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [0,0,0,0,0,0|1,0,2]=3 674 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,0,0,0,0,0|2,0,0]=2 675 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [0,0,0,0,0,0|2,0,0]=2 676 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [0,0,0,0,0,0|2,0,0]=2 677 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [0,0,0,0,0,0|1,0,0]=1 678 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [0,0,0,0,0,0|1,0,0]=1 679 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [0,0,0,0,0,0|1,0,0]=1 680 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [0,0,0,0,0,0|3,0,0]=3 681 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [0,0,0,0,0,0|3,0,0]=3 682 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [0,0,0,0,0,0|2,0,1]=3 683 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [0,0,0,0,0,0|1,0,2]=3 684 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [0,0,0,0,0,0|1,0,2]=3 685 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [0,0,0,0,0,0|2,0,0]=2 686 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,0,0,0,0,0|2,0,0]=2 687 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,0,0,0,0,0|2,0,0]=2 688 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,0,0,0,0,0|2,0,0]=2 689 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [0,0,0,0,0,0|2,0,0]=2 690 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [0,0,0,0,0,0|2,0,0]=2 691 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [0,0,0,0,0,0|2,0,0]=2 692 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [0,0,0,0,0,0|1,0,0]=1 693 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [0,0,0,0,0,0|1,0,0]=1 694 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,0,0,0,0,0|3,0,0]=3 695 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [0,0,0,0,0,0|2,0,1]=3 696 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [0,0,0,0,0,0|2,0,1]=3 697 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [0,0,0,0,0,0|1,0,2]=3 698 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [0,0,0,0,0,0|1,0,2]=3 699 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [0,0,0,0,0,0|2,0,0]=2 700 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [0,0,0,0,0,0|2,0,0]=2 701 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [0,0,0,0,0,0|2,0,0]=2 702 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [0,0,0,0,0,0|2,0,0]=2 703 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [0,0,0,0,0,0|1,0,0]=1 704 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [0,0,0,0,0,0|1,0,0]=1 705 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [0,0,0,0,0,0|3,0,0]=3 706 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [0,0,0,0,0,0|3,0,0]=3 707 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [0,0,0,0,0,0|3,0,0]=3 708 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [0,0,0,0,0,0|3,0,0]=3 709 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [0,0,0,0,0,0|2,0,1]=3 710 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [0,0,0,0,0,0|2,0,0]=2 711 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [0,0,0,0,0,0|2,0,0]=2 712 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [0,0,0,0,0,0|2,0,0]=2 713 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [0,0,0,0,0,0|2,0,0]=2 714 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [0,0,0,0,0,0|2,0,0]=2 715 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [0,0,0,0,0,0|2,0,0]=2 716 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [0,0,0,0,0,0|1,0,0]=1 717 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [0,0,0,0,0,0|3,0,0]=3 718 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [0,0,0,0,0,0|3,0,0]=3 719 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [0,0,0,0,0,0|3,0,0]=3 720 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [0,0,0,0,0,0|3,0,0]=3 721 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [0,0,0,0,0,0|3,0,0]=3 722 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [0,0,0,0,0,0|3,0,0]=3 723 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [0,0,0,0,0,0|2,0,1]=3 724 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [0,0,0,0,0,0|2,0,0]=2 725 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [0,0,0,0,0,0|2,0,0]=2 726 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [0,0,0,0,0,0|2,0,0]=2 727 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [0,0,0,0,0,0|2,0,0]=2 728 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [0,0,0,0,0,0|2,0,0]=2 729 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [0,0,0,0,0,0|2,0,0]=2 730 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [0,0,0,0,0,0|2,0,0]=2 731 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [0,0,0,0,0,0|2,0,0]=2 732 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [0,0,0,0,0,0|2,0,0]=2 733 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [0,0,0,0,0,0|2,0,0]=2 734 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [0,0,0,0,0,0|1,0,0]=1 735 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [0,0,0,0,0,0|1,0,0]=1 736 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [0,0,0,0,0,0|3,0,0]=3 737 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [0,0,0,0,0,0|3,0,0]=3 738 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [0,0,0,0,0,0|3,0,0]=3 739 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [0,0,0,0,0,0|3,0,0]=3 740 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [0,0,0,0,0,0|3,0,0]=3 741 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [0,0,0,0,0,0|3,0,0]=3 742 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [0,0,0,0,0,0|3,0,0]=3 743 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [0,0,0,0,0,0|3,0,0]=3 744 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [0,0,0,0,0,0|3,0,0]=3 745 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [0,0,0,0,0,0|3,0,0]=3 746 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [0,0,0,0,0,0|3,0,0]=3 747 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [0,0,0,0,0,0|3,0,0]=3 748 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [0,0,0,0,0,0|2,0,1]=3 749 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [0,0,0,0,0,0|2,0,1]=3 750 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [0,0,0,0,0,0|2,0,0]=2 751 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [0,0,0,0,0,0|2,0,0]=2 752 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [0,0,0,0,0,0|2,0,0]=2 753 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [0,0,0,0,0,0|2,0,0]=2 754 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [0,0,0,0,0,0|1,0,0]=1 755 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [0,0,0,0,0,0|1,0,0]=1 756 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [0,0,0,0,0,0|3,0,0]=3 757 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [0,0,0,0,0,0|3,0,0]=3 758 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [0,0,0,0,0,0|3,0,0]=3 759 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [0,0,0,0,0,0|3,0,0]=3 760 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [0,0,0,0,0,0|3,0,0]=3 761 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [0,0,0,0,0,0|3,0,0]=3 762 B9R0.45 CCCCCSCSC#N 62a_100000210326_100000211825 [0,0,0,0,0,0|3,0,1]=4 763 B9R0.45 CCCCCSCSC#N 62a_100000211825_100000210326 [0,0,0,0,0,0|3,0,1]=4 764 B9R0.45 CCCCNCC#CCO 2230a_100000102301_200000047223 [0,0,0,0,0,0|1,0,2]=3 765 B9R0.45 CCCCNCC#CCO 7a_106832991798_200000047223 [0,0,0,0,0,0|1,0,2]=3 766 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [0,0,0,0,0,0|2,0,1]=3 767 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [0,0,0,0,0,0|2,0,1]=3 768 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [0,0,0,0,0,0|1,0,2]=3 769 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [0,0,0,0,0,0|1,0,2]=3 770 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [0,0,0,0,0,0|2,0,0]=2 771 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [0,0,0,0,0,0|2,0,0]=2 772 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [0,0,0,0,0,0|1,0,0]=1 773 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [0,0,0,0,0,0|1,0,0]=1 774 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [0,0,0,0,0,0|1,0,0]=1 775 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [0,0,0,0,0,0|1,0,0]=1 776 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [0,0,0,0,0,0|3,0,0]=3 777 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [0,0,0,0,0,0|3,0,0]=3 778 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [0,0,0,0,0,0|3,0,0]=3 779 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [0,0,0,0,0,0|3,0,0]=3 780 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [0,0,0,0,0,0|3,0,0]=3 781 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [0,0,0,0,0,0|3,0,0]=3 782 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [0,0,0,0,0,0|3,0,0]=3 783 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [0,0,0,0,0,0|3,0,0]=3 784 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [0,0,0,0,0,0|3,0,0]=3 785 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [0,0,0,0,0,0|3,0,0]=3 786 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [0,0,0,0,0,0|3,0,0]=3 787 B9R0.45 CCCCOCC#CCCl 34a_200000047223_100000210210 [0,0,0,0,0,0|2,0,2]=4 788 B9R0.45 CCCCOCC#CCO 34a_100000210227_200000047223 [0,0,0,0,0,0|1,0,2]=3 789 B9R0.45 CCCCOCC#CCO 7a_100000210227_200000047223 [0,0,0,0,0,0|1,0,2]=3 790 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [0,0,0,0,0,0|2,0,1]=3 791 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [0,0,0,0,0,0|1,0,2]=3 792 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [0,0,0,0,0,0|2,0,0]=2 793 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [0,0,0,0,0,0|2,0,0]=2 794 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [0,0,0,0,0,0|2,0,0]=2 795 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [0,0,0,0,0,0|2,0,0]=2 796 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [0,0,0,0,0,0|2,0,0]=2 797 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [0,0,0,0,0,0|2,0,0]=2 798 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [0,0,0,0,0,0|2,0,0]=2 799 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [0,0,0,0,0,0|2,0,0]=2 800 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [0,0,0,0,0,0|2,0,0]=2 801 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [0,0,0,0,0,0|1,0,0]=1 802 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [0,0,0,0,0,0|1,0,0]=1 803 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [0,0,0,0,0,0|3,0,0]=3 804 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [0,0,0,0,0,0|3,0,0]=3 805 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [0,0,0,0,0,0|3,0,0]=3 806 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [0,0,0,0,0,0|3,0,0]=3 807 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [0,0,0,0,0,0|3,0,0]=3 808 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [0,0,0,0,0,0|3,0,0]=3 809 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [0,0,0,0,0,0|3,0,0]=3 810 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [0,0,0,0,0,0|3,0,0]=3 811 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [0,0,0,0,0,0|3,0,0]=3 812 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [0,0,0,0,0,0|3,0,0]=3 813 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [0,0,0,0,0,0|3,0,0]=3 814 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [0,0,0,0,0,0|3,0,0]=3 815 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [0,0,0,0,0,0|3,0,0]=3 816 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [0,0,0,0,0,0|3,0,0]=3 817 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [0,0,0,0,0,0|3,0,0]=3 818 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [0,0,0,0,0,0|3,0,0]=3 819 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [0,0,0,0,0,0|3,0,0]=3 820 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [0,0,0,0,0,0|3,0,0]=3 821 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [0,0,0,0,0,0|3,0,0]=3 822 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [0,0,0,0,0,0|3,0,0]=3 823 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [0,0,0,0,0,0|3,0,0]=3 824 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [0,0,0,0,0,0|3,0,0]=3 825 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [0,0,0,0,0,0|3,0,0]=3 826 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [0,0,0,0,0,0|3,0,0]=3 827 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [0,0,0,0,0,0|3,0,0]=3 828 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [0,0,0,0,0,0|3,0,0]=3 829 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [0,0,0,0,0,0|3,0,0]=3 830 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [0,0,0,0,0,0|3,0,0]=3 831 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [0,0,0,0,0,0|3,0,0]=3 832 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [0,0,0,0,0,0|3,0,0]=3 833 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [0,0,0,0,0,0|3,0,0]=3 834 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [0,0,0,0,0,0|3,0,0]=3 835 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [0,0,0,0,0,0|3,0,0]=3 836 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [0,0,0,0,0,0|2,0,0]=2 837 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [0,0,0,0,0,0|2,0,0]=2 838 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [0,0,0,0,0,0|3,0,0]=3 839 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [0,0,0,0,0,0|3,0,0]=3 840 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [0,0,0,0,0,0|3,0,0]=3 841 B9R0.45 CCCCOCSCC#N 62a_100011215382_100011995733 [0,0,0,0,0,0|3,0,1]=4 842 B9R0.45 CCCCOCSCC#N 62a_100011995733_100011215382 [0,0,0,0,0,0|3,0,1]=4 843 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [0,0,0,0,0,0|2,0,2]=4 844 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [0,0,0,0,0,0|2,0,2]=4 845 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [0,0,0,0,0,0|3,0,0]=3 846 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [0,0,0,0,0,0|3,0,0]=3 847 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [0,0,0,0,0,0|3,0,0]=3 848 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [0,0,0,0,0,0|3,0,0]=3 849 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [0,0,0,0,0,0|2,0,0]=2 850 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [0,0,0,0,0,0|2,0,0]=2 851 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [0,0,0,0,0,0|4,0,0]=4 852 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [0,0,0,0,0,0|4,0,0]=4 853 B9R0.45 CCCCOCSCSC 62a_100011218213_100011995733 [0,0,0,0,0,0|4,0,0]=4 854 B9R0.45 CCCCOCSCSC 62a_100011995733_100011218213 [0,0,0,0,0,0|4,0,0]=4 855 B9R0.45 CCCCSCC#CCO 62a_100000210211_200000047223 [0,0,0,0,0,0|1,0,2]=3 856 B9R0.45 CCCCSCC#CCO 62a_200000047223_100000210210 [0,0,0,0,0,0|1,0,2]=3 857 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [0,0,0,0,0,0|2,0,1]=3 858 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [0,0,0,0,0,0|2,0,1]=3 859 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [0,0,0,0,0,0|1,0,2]=3 860 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [0,0,0,0,0,0|1,0,2]=3 861 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [0,0,0,0,0,0|2,0,0]=2 862 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [0,0,0,0,0,0|2,0,0]=2 863 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,0,0,0,0,0|1,0,0]=1 864 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,0,0,0,0,0|1,0,0]=1 865 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [0,0,0,0,0,0|3,0,0]=3 866 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [0,0,0,0,0,0|3,0,0]=3 867 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [0,0,0,0,0,0|3,0,0]=3 868 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [0,0,0,0,0,0|3,0,0]=3 869 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [0,0,0,0,0,0|3,0,0]=3 870 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [0,0,0,0,0,0|3,0,0]=3 871 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [0,0,0,0,0,0|3,0,0]=3 872 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [0,0,0,0,0,0|3,0,0]=3 873 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [0,0,0,0,0,0|3,0,0]=3 874 B9R0.45 CCCCSCCSC#N 62a_100000034367_100000210210 [0,0,0,0,0,0|3,0,1]=4 875 B9R0.45 CCCCSCCSC#N 62a_100000210211_100000034367 [0,0,0,0,0,0|3,0,1]=4 876 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [0,0,0,0,0,0|3,0,0]=3 877 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [0,0,0,0,0,0|3,0,0]=3 878 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [0,0,0,0,0,0|1,0,0]=1 879 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [0,0,0,0,0,0|1,0,0]=1 880 B9R0.45 CCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210303 [0,0,0,0,0,0|4,0,0]=4 881 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [0,0,0,0,0,0|3,0,0]=3 882 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [0,0,0,0,0,0|3,0,0]=3 883 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [0,0,0,0,0,0|3,0,0]=3 884 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [0,0,0,0,0,0|3,0,0]=3 885 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [0,0,0,0,0,0|2,0,0]=2 886 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [0,0,0,0,0,0|2,0,0]=2 887 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [0,0,0,0,0,0|3,0,0]=3 888 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [0,0,0,0,0,0|2,0,0]=2 889 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [0,0,0,0,0,0|2,0,0]=2 890 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [0,0,0,0,0,0|2,0,0]=2 891 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [0,0,0,0,0,0|2,0,0]=2 892 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [0,0,0,0,0,0|2,0,0]=2 893 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [0,0,0,0,0,0|2,0,0]=2 894 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [0,0,0,0,0,0|2,0,0]=2 895 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [0,0,0,0,0,0|2,0,0]=2 896 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [0,0,0,0,0,0|2,0,0]=2 897 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [0,0,0,0,0,0|1,0,0]=1 898 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,0,0,0,0,0|3,0,0]=3 899 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,0,0,0,0,0|3,0,0]=3 900 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,0,0,0,0,0|3,0,0]=3 901 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,0,0,0,0,0|3,0,0]=3 902 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [0,0,0,0,0,0|3,0,0]=3 903 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [0,0,0,0,0,0|3,0,0]=3 904 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [0,0,0,0,0,0|3,0,0]=3 905 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,0,0,0,0,0|3,0,0]=3 906 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,0,0,0,0,0|3,0,0]=3 907 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,0,0,0,0,0|3,0,0]=3 908 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [0,0,0,0,0,0|3,0,0]=3 909 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [0,0,0,0,0,0|3,0,0]=3 910 B9R0.45 CCCOCCNCC#N 2230a_100161115042_100011215382 [0,0,0,0,0,0|3,0,1]=4 911 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [0,0,0,0,0,0|2,0,2]=4 912 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [0,0,0,0,0,0|2,0,2]=4 913 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [0,0,0,0,0,0|3,0,0]=3 914 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [0,0,0,0,0,0|3,0,0]=3 915 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [0,0,0,0,0,0|3,0,0]=3 916 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [0,0,0,0,0,0|2,0,0]=2 917 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [0,0,0,0,0,0|2,0,0]=2 918 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [0,0,0,0,0,0|2,0,0]=2 919 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [0,0,0,0,0,0|2,0,0]=2 920 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [0,0,0,0,0,0|4,0,0]=4 921 B9R0.45 CCCOCCNCSC 2230a_100161115042_100011218213 [0,0,0,0,0,0|4,0,0]=4 922 B9R0.45 CCCOCCNCSC 34a_100161115042_100011218213 [0,0,0,0,0,0|4,0,0]=4 923 B9R0.45 CCCOCCOCC#N 7a_100000752267_100011215382 [0,0,0,0,0,0|3,0,1]=4 924 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [0,0,0,0,0,0|2,0,2]=4 925 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [0,0,0,0,0,0|2,0,2]=4 926 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [0,0,0,0,0,0|3,0,0]=3 927 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [0,0,0,0,0,0|3,0,0]=3 928 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [0,0,0,0,0,0|3,0,0]=3 929 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [0,0,0,0,0,0|3,0,0]=3 930 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [0,0,0,0,0,0|3,0,0]=3 931 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [0,0,0,0,0,0|3,0,0]=3 932 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [0,0,0,0,0,0|3,0,0]=3 933 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [0,0,0,0,0,0|3,0,0]=3 934 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [0,0,0,0,0,0|3,0,0]=3 935 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [0,0,0,0,0,0|3,0,0]=3 936 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [0,0,0,0,0,0|3,0,0]=3 937 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [0,0,0,0,0,0|3,0,0]=3 938 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [0,0,0,0,0,0|3,0,0]=3 939 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [0,0,0,0,0,0|3,0,0]=3 940 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [0,0,0,0,0,0|3,0,0]=3 941 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [0,0,0,0,0,0|3,0,0]=3 942 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [0,0,0,0,0,0|2,0,0]=2 943 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [0,0,0,0,0,0|2,0,0]=2 944 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [0,0,0,0,0,0|2,0,0]=2 945 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [0,0,0,0,0,0|4,0,0]=4 946 B9R0.45 CCCOCCSCC#N 62a_100011215382_100011215938 [0,0,0,0,0,0|3,0,1]=4 947 B9R0.45 CCCOCCSCC#N 62a_100011215938_100011215382 [0,0,0,0,0,0|3,0,1]=4 948 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [0,0,0,0,0,0|2,0,2]=4 949 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [0,0,0,0,0,0|2,0,2]=4 950 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [0,0,0,0,0,0|3,0,0]=3 951 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [0,0,0,0,0,0|3,0,0]=3 952 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [0,0,0,0,0,0|3,0,0]=3 953 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [0,0,0,0,0,0|3,0,0]=3 954 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [0,0,0,0,0,0|3,0,0]=3 955 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [0,0,0,0,0,0|3,0,0]=3 956 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [0,0,0,0,0,0|2,0,0]=2 957 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [0,0,0,0,0,0|2,0,0]=2 958 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [0,0,0,0,0,0|4,0,0]=4 959 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [0,0,0,0,0,0|4,0,0]=4 960 B9R0.45 CCCOCCSCSC 62a_100011215938_100011218213 [0,0,0,0,0,0|4,0,0]=4 961 B9R0.45 CCCOCCSCSC 62a_100011218213_100011215938 [0,0,0,0,0,0|4,0,0]=4 962 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [0,0,0,0,0,0|2,0,1]=3 963 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [0,0,0,0,0,0|2,0,1]=3 964 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [0,0,0,0,0,0|1,0,2]=3 965 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [0,0,0,0,0,0|1,0,2]=3 966 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [0,0,0,0,0,0|2,0,0]=2 967 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [0,0,0,0,0,0|2,0,0]=2 968 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,0,0,0,0,0|1,0,0]=1 969 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,0,0,0,0,0|1,0,0]=1 970 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,0,0,0,0,0|3,0,0]=3 971 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,0,0,0,0,0|3,0,0]=3 972 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,0,0,0,0,0|3,0,0]=3 973 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,0,0,0,0,0|3,0,0]=3 974 B9R0.45 CCCSCCNCC#N 2230a_100020603323_100011215382 [0,0,0,0,0,0|3,0,1]=4 975 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [0,0,0,0,0,0|2,0,2]=4 976 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [0,0,0,0,0,0|3,0,0]=3 977 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [0,0,0,0,0,0|2,0,0]=2 978 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [0,0,0,0,0,0|4,0,0]=4 979 B9R0.45 CCCSCCNCSC 2230a_100020603323_100011218213 [0,0,0,0,0,0|4,0,0]=4 980 B9R0.45 CCCSCCOCC#N 62a_100000210303_200000047693 [0,0,0,0,0,0|3,0,1]=4 981 B9R0.45 CCCSCCOCC#N 62a_200000047693_100000210303 [0,0,0,0,0,0|3,0,1]=4 982 B9R0.45 CCCSCCOCC#N 7a_200000230433_100011215382 [0,0,0,0,0,0|3,0,1]=4 983 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [0,0,0,0,0,0|2,0,2]=4 984 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [0,0,0,0,0,0|2,0,2]=4 985 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [0,0,0,0,0,0|3,0,0]=3 986 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [0,0,0,0,0,0|3,0,0]=3 987 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [0,0,0,0,0,0|2,0,0]=2 988 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [0,0,0,0,0,0|2,0,0]=2 989 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [0,0,0,0,0,0|2,0,0]=2 990 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [0,0,0,0,0,0|2,0,0]=2 991 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [0,0,0,0,0,0|4,0,0]=4 992 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [0,0,0,0,0,0|4,0,0]=4 993 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [0,0,0,0,0,0|4,0,0]=4 994 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [0,0,0,0,0,0|2,0,1]=3 995 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [0,0,0,0,0,0|1,0,2]=3 996 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [0,0,0,0,0,0|2,0,0]=2 997 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,0,0,0,0,0|1,0,0]=1 998 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,0,0,0,0,0|1,0,0]=1 999 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,0,0,0,0,0|1,0,0]=1 1000 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [0,0,0,0,0,0|3,0,0]=3 1001 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [0,0,0,0,0,0|3,0,0]=3 1002 B9R0.45 CCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210202 [0,0,0,0,0,0|4,0,0]=4 1003 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [0,0,0,0,0,0|4,0,0]=4 1004 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [0,0,0,0,0,0|4,0,0]=4 1005 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [0,0,0,0,0,0|4,0,0]=4 1006 B9R0.45 CCNN=CCCCCO 4a_100000756455_100000031955 [0,0,0,0,0,0|2,0,1]=3 1007 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [0,0,0,0,0,0|2,0,0]=2 1008 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [0,0,0,0,0,0|2,0,0]=2 1009 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [0,0,0,0,0,0|2,0,0]=2 1010 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [0,0,0,0,0,0|2,0,0]=2 1011 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [0,0,0,0,0,0|2,0,0]=2 1012 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [0,0,0,0,0,0|2,0,0]=2 1013 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [0,0,0,0,0,0|2,0,0]=2 1014 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [0,0,0,0,0,0|2,0,0]=2 1015 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,0,0,0,0,0|1,0,0]=1 1016 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [0,0,0,0,0,0|3,0,0]=3 1017 B9R0.45 CCOCCCNCC#N 2230a_100000210961_100011215382 [0,0,0,0,0,0|3,0,1]=4 1018 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [0,0,0,0,0,0|2,0,2]=4 1019 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [0,0,0,0,0,0|2,0,2]=4 1020 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [0,0,0,0,0,0|3,0,0]=3 1021 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [0,0,0,0,0,0|3,0,0]=3 1022 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [0,0,0,0,0,0|3,0,0]=3 1023 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [0,0,0,0,0,0|2,0,0]=2 1024 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [0,0,0,0,0,0|2,0,0]=2 1025 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [0,0,0,0,0,0|2,0,0]=2 1026 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [0,0,0,0,0,0|2,0,0]=2 1027 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [0,0,0,0,0,0|4,0,0]=4 1028 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [0,0,0,0,0,0|4,0,0]=4 1029 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [0,0,0,0,0,0|4,0,0]=4 1030 B9R0.45 CCOCCCOCC#N 7a_100000757476_100011215382 [0,0,0,0,0,0|3,0,1]=4 1031 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [0,0,0,0,0,0|2,0,2]=4 1032 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [0,0,0,0,0,0|2,0,2]=4 1033 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [0,0,0,0,0,0|3,0,0]=3 1034 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [0,0,0,0,0,0|3,0,0]=3 1035 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [0,0,0,0,0,0|3,0,0]=3 1036 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [0,0,0,0,0,0|3,0,0]=3 1037 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [0,0,0,0,0,0|2,0,0]=2 1038 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [0,0,0,0,0,0|2,0,0]=2 1039 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [0,0,0,0,0,0|4,0,0]=4 1040 B9R0.45 CCOCCCSCC#N 62a_100011215382_100012232248 [0,0,0,0,0,0|3,0,1]=4 1041 B9R0.45 CCOCCCSCC#N 62a_100012232248_100011215382 [0,0,0,0,0,0|3,0,1]=4 1042 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [0,0,0,0,0,0|2,0,2]=4 1043 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [0,0,0,0,0,0|2,0,2]=4 1044 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [0,0,0,0,0,0|3,0,0]=3 1045 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [0,0,0,0,0,0|3,0,0]=3 1046 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [0,0,0,0,0,0|2,0,0]=2 1047 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [0,0,0,0,0,0|2,0,0]=2 1048 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [0,0,0,0,0,0|4,0,0]=4 1049 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [0,0,0,0,0,0|4,0,0]=4 1050 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [0,0,0,0,0,0|4,0,0]=4 1051 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [0,0,0,0,0,0|4,0,0]=4 1052 B9R0.45 CCOCCNCCC#N 2230a_102516460346_100011215226 [0,0,0,0,0,0|3,0,1]=4 1053 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [0,0,0,0,0,0|3,0,0]=3 1054 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [0,0,0,0,0,0|3,0,0]=3 1055 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [0,0,0,0,0,0|3,0,0]=3 1056 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [0,0,0,0,0,0|3,0,0]=3 1057 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [0,0,0,0,0,0|2,0,0]=2 1058 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [0,0,0,0,0,0|2,0,0]=2 1059 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [0,0,0,0,0,0|4,0,0]=4 1060 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [0,0,0,0,0,0|4,0,0]=4 1061 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [0,0,0,0,0,0|4,0,0]=4 1062 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [0,0,0,0,0,0|4,0,0]=4 1063 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [0,0,0,0,0,0|4,0,0]=4 1064 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [0,0,0,0,0,0|4,0,0]=4 1065 B9R0.45 CCOCCOCCC#N 7a_100000210136_100000184422 [0,0,0,0,0,0|3,0,1]=4 1066 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [0,0,0,0,0,0|3,0,0]=3 1067 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [0,0,0,0,0,0|3,0,0]=3 1068 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [0,0,0,0,0,0|3,0,0]=3 1069 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [0,0,0,0,0,0|3,0,0]=3 1070 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [0,0,0,0,0,0|3,0,0]=3 1071 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [0,0,0,0,0,0|3,0,0]=3 1072 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [0,0,0,0,0,0|2,0,0]=2 1073 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [0,0,0,0,0,0|2,0,0]=2 1074 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [0,0,0,0,0,0|4,0,0]=4 1075 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [0,0,0,0,0,0|4,0,0]=4 1076 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [0,0,0,0,0,0|4,0,0]=4 1077 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [0,0,0,0,0,0|4,0,0]=4 1078 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [0,0,0,0,0,0|4,0,0]=4 1079 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [0,0,0,0,0,0|4,0,0]=4 1080 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [0,0,0,0,0,0|4,0,0]=4 1081 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [0,0,0,0,0,0|4,0,0]=4 1082 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [0,0,0,0,0,0|4,0,0]=4 1083 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [0,0,0,0,0,0|4,0,0]=4 1084 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [0,0,0,0,0,0|4,0,0]=4 1085 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [0,0,0,0,0,0|4,0,0]=4 1086 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [0,0,0,0,0,0|4,0,0]=4 1087 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [0,0,0,0,0,0|4,0,0]=4 1088 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [0,0,0,0,0,0|4,0,0]=4 1089 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [0,0,0,0,0,0|4,0,0]=4 1090 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [0,0,0,0,0,0|4,0,0]=4 1091 B9R0.45 CCOCCOCCON 34a_100000700252_100000210147 [0,0,0,0,0,0|4,0,0]=4 1092 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [0,0,0,0,0,0|4,0,0]=4 1093 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [0,0,0,0,0,0|4,0,0]=4 1094 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [0,0,0,0,0,0|4,0,0]=4 1095 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [0,0,0,0,0,0|4,0,0]=4 1096 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [0,0,0,0,0,0|4,0,0]=4 1097 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [0,0,0,0,0,0|4,0,0]=4 1098 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [0,0,0,0,0,0|4,0,0]=4 1099 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [0,0,0,0,0,0|4,0,0]=4 1100 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [0,0,0,0,0,0|4,0,0]=4 1101 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [0,0,0,0,0,0|4,0,0]=4 1102 B9R0.45 CCOCCSCCC#N 62a_100000210147_100011215226 [0,0,0,0,0,0|3,0,1]=4 1103 B9R0.45 CCOCCSCCC#N 62a_100011215226_100011215890 [0,0,0,0,0,0|3,0,1]=4 1104 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [0,0,0,0,0,0|3,0,0]=3 1105 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [0,0,0,0,0,0|3,0,0]=3 1106 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [0,0,0,0,0,0|2,0,0]=2 1107 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [0,0,0,0,0,0|2,0,0]=2 1108 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [0,0,0,0,0,0|4,0,0]=4 1109 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [0,0,0,0,0,0|4,0,0]=4 1110 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [0,0,0,0,0,0|4,0,0]=4 1111 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [0,0,0,0,0,0|4,0,0]=4 1112 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [0,0,0,0,0,0|4,0,0]=4 1113 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [0,0,0,0,0,0|4,0,0]=4 1114 B9R0.45 CCOCSCC#CCO 62a_100000739092_200000047223 [0,0,0,0,0,0|2,0,2]=4 1115 B9R0.45 CCOCSCC#CCO 62a_200000047223_100000739092 [0,0,0,0,0,0|2,0,2]=4 1116 B9R0.45 CCOCSCCCC#N 62a_100000687738_100000739092 [0,0,0,0,0,0|3,0,1]=4 1117 B9R0.45 CCOCSCCCC#N 62a_100000739092_100000687738 [0,0,0,0,0,0|3,0,1]=4 1118 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [0,0,0,0,0,0|2,0,2]=4 1119 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [0,0,0,0,0,0|2,0,2]=4 1120 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [0,0,0,0,0,0|3,0,0]=3 1121 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [0,0,0,0,0,0|3,0,0]=3 1122 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [0,0,0,0,0,0|2,0,0]=2 1123 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [0,0,0,0,0,0|2,0,0]=2 1124 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [0,0,0,0,0,0|4,0,0]=4 1125 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [0,0,0,0,0,0|4,0,0]=4 1126 B9R0.45 CCOCSCCSCC 62a_100000739092_100000757381 [0,0,0,0,0,0|4,0,0]=4 1127 B9R0.45 CCOCSCCSCC 62a_100000757381_100000739092 [0,0,0,0,0,0|4,0,0]=4 1128 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [0,0,0,0,0,0|2,0,1]=3 1129 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [0,0,0,0,0,0|2,0,1]=3 1130 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [0,0,0,0,0,0|1,0,2]=3 1131 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [0,0,0,0,0,0|1,0,2]=3 1132 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [0,0,0,0,0,0|2,0,0]=2 1133 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [0,0,0,0,0,0|2,0,0]=2 1134 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,0,0,0,0,0|1,0,0]=1 1135 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,0,0,0,0,0|1,0,0]=1 1136 B9R0.45 CCSCCCOCC#N 7a_100011216438_100011215382 [0,0,0,0,0,0|3,0,1]=4 1137 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [0,0,0,0,0,0|2,0,2]=4 1138 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [0,0,0,0,0,0|2,0,2]=4 1139 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [0,0,0,0,0,0|3,0,0]=3 1140 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [0,0,0,0,0,0|3,0,0]=3 1141 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [0,0,0,0,0,0|2,0,0]=2 1142 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [0,0,0,0,0,0|2,0,0]=2 1143 B9R0.45 CCSCCCOCSC 34a_100011216438_100011218213 [0,0,0,0,0,0|4,0,0]=4 1144 B9R0.45 CCSCCNCCC#N 2230a_100000106463_100011215226 [0,0,0,0,0,0|3,0,1]=4 1145 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [0,0,0,0,0,0|3,0,0]=3 1146 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [0,0,0,0,0,0|3,0,0]=3 1147 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [0,0,0,0,0,0|3,0,0]=3 1148 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [0,0,0,0,0,0|2,0,0]=2 1149 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [0,0,0,0,0,0|4,0,0]=4 1150 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [0,0,0,0,0,0|4,0,0]=4 1151 B9R0.45 CCSCCNCCSC 2230a_100000106463_100000751147 [0,0,0,0,0,0|4,0,0]=4 1152 B9R0.45 CCSCCNCCSC 2230a_100020590264_100000757381 [0,0,0,0,0,0|4,0,0]=4 1153 B9R0.45 CCSCCOCCC#N 7a_100000212035_100000184422 [0,0,0,0,0,0|3,0,1]=4 1154 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [0,0,0,0,0,0|3,0,0]=3 1155 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [0,0,0,0,0,0|3,0,0]=3 1156 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [0,0,0,0,0,0|3,0,0]=3 1157 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [0,0,0,0,0,0|3,0,0]=3 1158 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [0,0,0,0,0,0|3,0,0]=3 1159 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [0,0,0,0,0,0|3,0,0]=3 1160 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [0,0,0,0,0,0|2,0,0]=2 1161 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [0,0,0,0,0,0|2,0,0]=2 1162 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [0,0,0,0,0,0|4,0,0]=4 1163 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [0,0,0,0,0,0|4,0,0]=4 1164 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [0,0,0,0,0,0|4,0,0]=4 1165 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [0,0,0,0,0,0|4,0,0]=4 1166 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [0,0,0,0,0,0|4,0,0]=4 1167 B9R0.45 CCSCCOCCON 34a_100000700252_100000757381 [0,0,0,0,0,0|4,0,0]=4 1168 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [0,0,0,0,0,0|4,0,0]=4 1169 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [0,0,0,0,0,0|4,0,0]=4 1170 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [0,0,0,0,0,0|4,0,0]=4 1171 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [0,0,0,0,0,0|4,0,0]=4 1172 B9R0.45 CCSCCSCCC#N 62a_100000757381_100011215226 [0,0,0,0,0,0|3,0,1]=4 1173 B9R0.45 CCSCCSCCC#N 62a_100011215226_100000757381 [0,0,0,0,0,0|3,0,1]=4 1174 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [0,0,0,0,0,0|3,0,0]=3 1175 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [0,0,0,0,0,0|3,0,0]=3 1176 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [0,0,0,0,0,0|2,0,0]=2 1177 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [0,0,0,0,0,0|2,0,0]=2 1178 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [0,0,0,0,0,0|4,0,0]=4 1179 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [0,0,0,0,0,0|4,0,0]=4 1180 B9R0.45 CCSCCSCCSC 62a_100000212216_100000757381 [0,0,0,0,0,0|4,0,0]=4 1181 B9R0.45 CCSCCSCCSC 62a_100000757381_100000751147 [0,0,0,0,0,0|4,0,0]=4 1182 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [0,0,0,0,0,0|2,0,1]=3 1183 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [0,0,0,0,0,0|2,0,1]=3 1184 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [0,0,0,0,0,0|1,0,0]=1 1185 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [0,0,0,0,0,0|1,0,0]=1 1186 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [0,0,0,0,0,0|1,0,0]=1 1187 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [0,0,0,0,0,0|1,0,0]=1 1188 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [0,0,0,0,0,0|1,0,0]=1 1189 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [0,0,0,0,0,0|3,0,0]=3 1190 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [0,0,0,0,0,0|3,0,0]=3 1191 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [0,0,0,0,0,0|3,0,0]=3 1192 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [0,0,0,0,0,0|3,0,0]=3 1193 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [0,0,0,0,0,0|3,0,0]=3 1194 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [0,0,0,0,0,0|2,0,0]=2 1195 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [0,0,0,0,0,0|2,0,0]=2 1196 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [0,0,0,0,0,0|2,0,0]=2 1197 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [0,0,0,0,0,0|4,0,0]=4 1198 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [0,0,0,0,0,0|4,0,0]=4 1199 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [0,0,0,0,0,0|4,0,0]=4 1200 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [0,0,0,0,0,0|4,0,0]=4 1201 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [0,0,0,0,0,0|4,0,0]=4 1202 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [0,0,0,0,0,0|4,0,0]=4 1203 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [0,0,0,0,0,0|4,0,0]=4 1204 B9R0.45 CNCCOCCOCF 34a_100000228057_100015361967 [0,0,0,0,0,0|4,0,0]=4 1205 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [0,0,0,0,0,0|2,0,0]=2 1206 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [0,0,0,0,0,0|2,0,0]=2 1207 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [0,0,0,0,0,0|2,0,0]=2 1208 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,0,0,0,0,0|1,0,0]=1 1209 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [0,0,0,0,0,0|3,0,0]=3 1210 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [0,0,0,0,0,0|3,0,0]=3 1211 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [0,0,0,0,0,0|3,0,0]=3 1212 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [0,0,0,0,0,0|3,0,0]=3 1213 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [0,0,0,0,0,0|3,0,0]=3 1214 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [0,0,0,0,0,0|3,0,0]=3 1215 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [0,0,0,0,0,0|3,0,0]=3 1216 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [0,0,0,0,0,0|3,0,0]=3 1217 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [0,0,0,0,0,0|3,0,0]=3 1218 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [0,0,0,0,0,0|3,0,0]=3 1219 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [0,0,0,0,0,0|3,0,0]=3 1220 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [0,0,0,0,0,0|2,0,0]=2 1221 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [0,0,0,0,0,0|2,0,0]=2 1222 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [0,0,0,0,0,0|2,0,2]=4 1223 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [0,0,0,0,0,0|3,0,0]=3 1224 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [0,0,0,0,0,0|3,0,0]=3 1225 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [0,0,0,0,0,0|3,0,0]=3 1226 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [0,0,0,0,0,0|2,0,0]=2 1227 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [0,0,0,0,0,0|4,0,0]=4 1228 B9R0.45 COCCCCSCC#N 62a_100000730899_100011215382 [0,0,0,0,0,0|3,0,1]=4 1229 B9R0.45 COCCCCSCC#N 62a_100011215382_100000730899 [0,0,0,0,0,0|3,0,1]=4 1230 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [0,0,0,0,0,0|2,0,2]=4 1231 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [0,0,0,0,0,0|2,0,2]=4 1232 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [0,0,0,0,0,0|3,0,0]=3 1233 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [0,0,0,0,0,0|3,0,0]=3 1234 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [0,0,0,0,0,0|2,0,0]=2 1235 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [0,0,0,0,0,0|2,0,0]=2 1236 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [0,0,0,0,0,0|4,0,0]=4 1237 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [0,0,0,0,0,0|4,0,0]=4 1238 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [0,0,0,0,0,0|4,0,0]=4 1239 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [0,0,0,0,0,0|4,0,0]=4 1240 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [0,0,0,0,0,0|3,0,0]=3 1241 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [0,0,0,0,0,0|3,0,0]=3 1242 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [0,0,0,0,0,0|3,0,0]=3 1243 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [0,0,0,0,0,0|2,0,0]=2 1244 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [0,0,0,0,0,0|4,0,0]=4 1245 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [0,0,0,0,0,0|4,0,0]=4 1246 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [0,0,0,0,0,0|4,0,0]=4 1247 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [0,0,0,0,0,0|4,0,0]=4 1248 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [0,0,0,0,0,0|3,0,0]=3 1249 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [0,0,0,0,0,0|3,0,0]=3 1250 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [0,0,0,0,0,0|3,0,0]=3 1251 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [0,0,0,0,0,0|3,0,0]=3 1252 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [0,0,0,0,0,0|3,0,0]=3 1253 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [0,0,0,0,0,0|3,0,0]=3 1254 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [0,0,0,0,0,0|2,0,0]=2 1255 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [0,0,0,0,0,0|4,0,0]=4 1256 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [0,0,0,0,0,0|4,0,0]=4 1257 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [0,0,0,0,0,0|4,0,0]=4 1258 B9R0.45 COCCCOCCON 34a_100000700252_100000740836 [0,0,0,0,0,0|4,0,0]=4 1259 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [0,0,0,0,0,0|4,0,0]=4 1260 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [0,0,0,0,0,0|4,0,0]=4 1261 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [0,0,0,0,0,0|4,0,0]=4 1262 B9R0.45 COCCCSCCC#N 62a_100000709357_100011215226 [0,0,0,0,0,0|3,0,1]=4 1263 B9R0.45 COCCCSCCC#N 62a_100011215226_100000709357 [0,0,0,0,0,0|3,0,1]=4 1264 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [0,0,0,0,0,0|3,0,0]=3 1265 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [0,0,0,0,0,0|3,0,0]=3 1266 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [0,0,0,0,0,0|2,0,0]=2 1267 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [0,0,0,0,0,0|2,0,0]=2 1268 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [0,0,0,0,0,0|4,0,0]=4 1269 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [0,0,0,0,0,0|4,0,0]=4 1270 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [0,0,0,0,0,0|4,0,0]=4 1271 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [0,0,0,0,0,0|4,0,0]=4 1272 B9R0.45 COCCNCC#CCO 2230a_100000209980_200000047223 [0,0,0,0,0,0|2,0,2]=4 1273 B9R0.45 COCCNCCCC#N 2230a_100000209980_100000687738 [0,0,0,0,0,0|3,0,1]=4 1274 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [0,0,0,0,0,0|2,0,2]=4 1275 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [0,0,0,0,0,0|3,0,0]=3 1276 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [0,0,0,0,0,0|2,0,0]=2 1277 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [0,0,0,0,0,0|2,0,0]=2 1278 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [0,0,0,0,0,0|2,0,0]=2 1279 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [0,0,0,0,0,0|4,0,0]=4 1280 B9R0.45 COCCOCC#CCO 34a_100000210237_200000047223 [0,0,0,0,0,0|2,0,2]=4 1281 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [0,0,0,0,0,0|3,0,0]=3 1282 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [0,0,0,0,0,0|3,0,0]=3 1283 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [0,0,0,0,0,0|3,0,0]=3 1284 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [0,0,0,0,0,0|3,0,0]=3 1285 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [0,0,0,0,0,0|3,0,0]=3 1286 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [0,0,0,0,0,0|3,0,0]=3 1287 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [0,0,0,0,0,0|3,0,0]=3 1288 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [0,0,0,0,0,0|3,0,0]=3 1289 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [0,0,0,0,0,0|2,0,0]=2 1290 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [0,0,0,0,0,0|4,0,0]=4 1291 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [0,0,0,0,0,0|4,0,0]=4 1292 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [0,0,0,0,0,0|4,0,0]=4 1293 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [0,0,0,0,0,0|4,0,0]=4 1294 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [0,0,0,0,0,0|4,0,0]=4 1295 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [0,0,0,0,0,0|4,0,0]=4 1296 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [0,0,0,0,0,0|4,0,0]=4 1297 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [0,0,0,0,0,0|4,0,0]=4 1298 B9R0.45 COCCOCCNCF 34a_100000745349_100015361967 [0,0,0,0,0,0|4,0,0]=4 1299 B9R0.45 COCCOCCOCF 34a_100011215163_100015361967 [0,0,0,0,0,0|4,0,0]=4 1300 B9R0.45 COCCOCCOCF 7a_100011215163_100015361967 [0,0,0,0,0,0|4,0,0]=4 1301 B9R0.45 COCCOCCSCF 62a_100000695917_100015361967 [0,0,0,0,0,0|4,0,0]=4 1302 B9R0.45 COCCOCCSCF 62a_100015361967_100000695917 [0,0,0,0,0,0|4,0,0]=4 1303 B9R0.45 COCCOCNCCO 2230a_100016997473_100000231047 [0,0,0,0,0,0|3,0,0]=3 1304 B9R0.45 COCCOCSCCF 62a_100000231047_100011217306 [0,0,0,0,0,0|4,0,0]=4 1305 B9R0.45 COCCOCSCCF 62a_100011217306_100000231047 [0,0,0,0,0,0|4,0,0]=4 1306 B9R0.45 COCCOCSCCO 62a_100000211926_100000231047 [0,0,0,0,0,0|3,0,0]=3 1307 B9R0.45 COCCOCSCCO 62a_100000231047_100000211926 [0,0,0,0,0,0|3,0,0]=3 1308 B9R0.45 COCCSCC#CCO 62a_100000233755_200000047223 [0,0,0,0,0,0|2,0,2]=4 1309 B9R0.45 COCCSCC#CCO 62a_200000047223_100000233755 [0,0,0,0,0,0|2,0,2]=4 1310 B9R0.45 COCCSCCCC#N 62a_100000233755_100000687738 [0,0,0,0,0,0|3,0,1]=4 1311 B9R0.45 COCCSCCCC#N 62a_100000687738_100000233755 [0,0,0,0,0,0|3,0,1]=4 1312 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [0,0,0,0,0,0|2,0,2]=4 1313 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [0,0,0,0,0,0|2,0,2]=4 1314 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [0,0,0,0,0,0|3,0,0]=3 1315 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [0,0,0,0,0,0|3,0,0]=3 1316 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [0,0,0,0,0,0|2,0,0]=2 1317 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [0,0,0,0,0,0|2,0,0]=2 1318 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [0,0,0,0,0,0|2,0,0]=2 1319 B9R0.45 COCNCCOCCO 2230a_100000211614_100000766300 [0,0,0,0,0,0|3,0,0]=3 1320 B9R0.45 COCNCCSCCO 2230a_100011219999_100000766300 [0,0,0,0,0,0|3,0,0]=3 1321 B9R0.45 COCSCCCCC#N 62a_100000766300_100000211819 [0,0,0,0,0,0|3,0,1]=4 1322 B9R0.45 COCSCCCCC#N 62a_100011219923_100000766300 [0,0,0,0,0,0|3,0,1]=4 1323 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [0,0,0,0,0,0|2,0,2]=4 1324 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [0,0,0,0,0,0|2,0,2]=4 1325 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [0,0,0,0,0,0|3,0,0]=3 1326 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [0,0,0,0,0,0|3,0,0]=3 1327 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [0,0,0,0,0,0|2,0,0]=2 1328 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [0,0,0,0,0,0|2,0,0]=2 1329 B9R0.45 COCSCCOCCO 62a_100000766300_100011215305 [0,0,0,0,0,0|3,0,0]=3 1330 B9R0.45 COCSCCOCCO 62a_100011215305_100000766300 [0,0,0,0,0,0|3,0,0]=3 1331 B9R0.45 CSCCC=NNCCO 4a_100000210001_100000210997 [0,0,0,0,0,0|3,0,1]=4 1332 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [0,0,0,0,0,0|2,0,1]=3 1333 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [0,0,0,0,0,0|2,0,1]=3 1334 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,0,0,0,0,0|1,0,0]=1 1335 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,0,0,0,0,0|1,0,0]=1 1336 B9R0.45 CSCCCCOCC#N 7a_100011217163_100011215382 [0,0,0,0,0,0|3,0,1]=4 1337 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [0,0,0,0,0,0|2,0,2]=4 1338 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [0,0,0,0,0,0|2,0,2]=4 1339 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [0,0,0,0,0,0|3,0,0]=3 1340 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [0,0,0,0,0,0|3,0,0]=3 1341 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [0,0,0,0,0,0|2,0,0]=2 1342 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [0,0,0,0,0,0|2,0,0]=2 1343 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [0,0,0,0,0,0|4,0,0]=4 1344 B9R0.45 CSCCCNCCC#N 2230a_100000749238_100011215226 [0,0,0,0,0,0|3,0,1]=4 1345 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [0,0,0,0,0,0|3,0,0]=3 1346 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [0,0,0,0,0,0|2,0,0]=2 1347 B9R0.45 CSCCCNCCSC 2230a_100000749238_100000751147 [0,0,0,0,0,0|4,0,0]=4 1348 B9R0.45 CSCCCOCCC#N 7a_100000690336_100000184422 [0,0,0,0,0,0|3,0,1]=4 1349 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [0,0,0,0,0,0|3,0,0]=3 1350 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [0,0,0,0,0,0|3,0,0]=3 1351 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [0,0,0,0,0,0|2,0,0]=2 1352 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [0,0,0,0,0,0|2,0,0]=2 1353 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [0,0,0,0,0,0|4,0,0]=4 1354 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [0,0,0,0,0,0|4,0,0]=4 1355 B9R0.45 CSCCNCC#CCO 2230a_100020590264_200000047223 [0,0,0,0,0,0|2,0,2]=4 1356 B9R0.45 CSCCNCCCC#N 2230a_100020590264_100000687738 [0,0,0,0,0,0|3,0,1]=4 1357 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [0,0,0,0,0,0|2,0,2]=4 1358 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [0,0,0,0,0,0|3,0,0]=3 1359 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [0,0,0,0,0,0|2,0,0]=2 1360 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [0,0,0,0,0,0|2,0,0]=2 1361 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [0,0,0,0,0,0|2,0,0]=2 1362 B9R0.45 CSCCOCC#CCO 34a_100000230434_200000047223 [0,0,0,0,0,0|2,0,2]=4 1363 B9R0.45 CSCCOCC#CCO 7a_100000230434_200000047223 [0,0,0,0,0,0|2,0,2]=4 1364 B9R0.45 CSCCOCCCC#N 7a_100000230434_100000687738 [0,0,0,0,0,0|3,0,1]=4 1365 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [0,0,0,0,0,0|2,0,2]=4 1366 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [0,0,0,0,0,0|3,0,0]=3 1367 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [0,0,0,0,0,0|3,0,0]=3 1368 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [0,0,0,0,0,0|3,0,0]=3 1369 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [0,0,0,0,0,0|3,0,0]=3 1370 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [0,0,0,0,0,0|3,0,0]=3 1371 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [0,0,0,0,0,0|3,0,0]=3 1372 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [0,0,0,0,0,0|3,0,0]=3 1373 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [0,0,0,0,0,0|3,0,0]=3 1374 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [0,0,0,0,0,0|3,0,0]=3 1375 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [0,0,0,0,0,0|2,0,0]=2 1376 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [0,0,0,0,0,0|2,0,0]=2 1377 B9R0.45 CSCCSCC#CCO 62a_100000212216_200000047223 [0,0,0,0,0,0|2,0,2]=4 1378 B9R0.45 CSCCSCC#CCO 62a_200000047223_100000751147 [0,0,0,0,0,0|2,0,2]=4 1379 B9R0.45 CSCCSCCCC#N 62a_100000212216_100000687738 [0,0,0,0,0,0|3,0,1]=4 1380 B9R0.45 CSCCSCCCC#N 62a_100000687738_100000751147 [0,0,0,0,0,0|3,0,1]=4 1381 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [0,0,0,0,0,0|2,0,2]=4 1382 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [0,0,0,0,0,0|2,0,2]=4 1383 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [0,0,0,0,0,0|3,0,0]=3 1384 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [0,0,0,0,0,0|3,0,0]=3 1385 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [0,0,0,0,0,0|2,0,0]=2 1386 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [0,0,0,0,0,0|2,0,0]=2 1387 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [0,0,0,0,0,0|2,0,0]=2 1388 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [0,0,0,0,0,0|2,0,0]=2 1389 B9R0.45 CSCNCCOCCO 2230a_100000211614_100011218213 [0,0,0,0,0,0|3,0,0]=3 1390 B9R0.45 CSCNCCOCCO 34a_100000211614_100011218213 [0,0,0,0,0,0|3,0,0]=3 1391 B9R0.45 CSCNCCSCCO 2230a_100011219999_100011218213 [0,0,0,0,0,0|3,0,0]=3 1392 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [0,0,0,0,0,0|3,0,0]=3 1393 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [0,0,0,0,0,0|3,0,0]=3 1394 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [0,0,0,0,0,0|3,0,0]=3 1395 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [0,0,0,0,0,0|3,0,0]=3 1396 B9R0.45 CSCOCCOCCBr 34a_100000692535_100011218213 [0,0,0,0,0,0|4,0,0]=4 1397 B9R0.45 CSCOCCOCCCl 34a_100011215305_100011218213 [0,0,0,0,0,0|4,0,0]=4 1398 B9R0.45 CSCOCCOCCF 34a_200015357709_100011218213 [0,0,0,0,0,0|4,0,0]=4 1399 B9R0.45 CSCOCCOCCI 34a_100012149058_100011218213 [0,0,0,0,0,0|4,0,0]=4 1400 B9R0.45 CSCOCCOCCN 34a_100000211614_100011218213 [0,0,0,0,0,0|4,0,0]=4 1401 B9R0.45 CSCSCCCCC#N 62a_100011218213_100000211819 [0,0,0,0,0,0|3,0,1]=4 1402 B9R0.45 CSCSCCCCC#N 62a_100011219923_100011218213 [0,0,0,0,0,0|3,0,1]=4 1403 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [0,0,0,0,0,0|2,0,2]=4 1404 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [0,0,0,0,0,0|2,0,2]=4 1405 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [0,0,0,0,0,0|3,0,0]=3 1406 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [0,0,0,0,0,0|3,0,0]=3 1407 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [0,0,0,0,0,0|2,0,0]=2 1408 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [0,0,0,0,0,0|2,0,0]=2 1409 B9R0.45 CSCSCCOCCO 62a_100011215305_100011218213 [0,0,0,0,0,0|3,0,0]=3 1410 B9R0.45 CSCSCCOCCO 62a_100011218213_100011215305 [0,0,0,0,0,0|3,0,0]=3 1411 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [0,0,0,0,0,0|3,0,0]=3 1412 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [0,0,0,0,0,0|3,0,0]=3 1413 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [0,0,0,0,0,0|3,0,0]=3 1414 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [0,0,0,0,0,0|3,0,0]=3 1415 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [0,0,0,0,0,0|3,0,0]=3 1416 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [0,0,0,0,0,0|3,0,0]=3 1417 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [0,0,0,0,0,0|3,0,0]=3 1418 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [0,0,0,0,0,0|3,0,0]=3 1419 B9R0.45 FCCCCNCCCF 2230a_100015189416_100000729493 [0,0,0,0,0,0|3,0,0]=3 1420 B9R0.45 FCCCCNCCCF 34a_100015189416_100000729493 [0,0,0,0,0,0|3,0,0]=3 1421 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [0,0,0,0,0,0|3,0,0]=3 1422 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [0,0,0,0,0,0|3,0,0]=3 1423 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [0,0,0,0,0,0|3,0,0]=3 1424 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [0,0,0,0,0,0|3,0,0]=3 1425 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [0,0,0,0,0,0|3,0,0]=3 1426 B9R0.45 FCCCCSCCCF 62a_100000729493_100011934791 [0,0,0,0,0,0|3,0,0]=3 1427 B9R0.45 FCCCCSCCCF 62a_100011934791_100000729493 [0,0,0,0,0,0|3,0,0]=3 1428 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [0,0,0,0,0,0|3,0,0]=3 1429 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [0,0,0,0,0,0|3,0,0]=3 1430 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [0,0,0,0,0,0|3,0,0]=3 1431 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [0,0,0,0,0,0|3,0,0]=3 1432 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [0,0,0,0,0,0|3,0,0]=3 1433 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [0,0,0,0,0,0|3,0,0]=3 1434 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [0,0,0,0,0,0|3,0,0]=3 1435 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [0,0,0,0,0,0|3,0,0]=3 1436 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [0,0,0,0,0,0|3,0,0]=3 1437 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [0,0,0,0,0,0|3,0,0]=3 1438 B9R0.45 FCCOCCOCCBr 34a_100000692535_100011217306 [0,0,0,0,0,0|4,0,0]=4 1439 B9R0.45 FCCOCCOCCBr 7a_100000692535_100011217306 [0,0,0,0,0,0|4,0,0]=4 1440 B9R0.45 FCCOCCOCCCl 34a_100011215305_100011217306 [0,0,0,0,0,0|4,0,0]=4 1441 B9R0.45 FCCOCCOCCCl 7a_100011215305_100011217306 [0,0,0,0,0,0|4,0,0]=4 1442 B9R0.45 FCCOCCOCCF 34a_200015357709_100011217306 [0,0,0,0,0,0|4,0,0]=4 1443 B9R0.45 FCCOCCOCCF 7a_200015357709_100011217306 [0,0,0,0,0,0|4,0,0]=4 1444 B9R0.45 FCCOCCOCCI 34a_100012149058_100011217306 [0,0,0,0,0,0|4,0,0]=4 1445 B9R0.45 FCCOCCOCCI 7a_100012149058_100011217306 [0,0,0,0,0,0|4,0,0]=4 1446 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [0,0,0,0,0,0|3,0,0]=3 1447 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [0,0,0,0,0,0|3,0,0]=3 1448 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [0,0,0,0,0,0|3,0,0]=3 1449 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [0,0,0,0,0,0|3,0,0]=3 1450 B9R0.45 N#CCCCCCSCF 62a_100009813376_100015361967 [0,0,0,0,0,0|3,0,1]=4 1451 B9R0.45 N#CCCCCCSCF 62a_100015361967_100009813376 [0,0,0,0,0,0|3,0,1]=4 1452 B9R0.45 N#CCCCCNCCO 2230a_100016997473_100000211819 [0,0,0,0,0,0|2,0,1]=3 1453 B9R0.45 N#CCCCCSCCF 62a_100011217306_100000211819 [0,0,0,0,0,0|3,0,1]=4 1454 B9R0.45 N#CCCCCSCCF 62a_100011219923_100011217306 [0,0,0,0,0,0|3,0,1]=4 1455 B9R0.45 N#CCCCCSCCO 62a_100000211926_100000211819 [0,0,0,0,0,0|2,0,1]=3 1456 B9R0.45 N#CCCCCSCCO 62a_100011219923_100000211926 [0,0,0,0,0,0|2,0,1]=3 1457 B9R0.45 N#CCCCNCCCF 2230a_100015189416_100000687738 [0,0,0,0,0,0|3,0,1]=4 1458 B9R0.45 N#CCCCSCCCF 62a_100000687738_100011934791 [0,0,0,0,0,0|3,0,1]=4 1459 B9R0.45 N#CCCCSCCCF 62a_100011934791_100000687738 [0,0,0,0,0,0|3,0,1]=4 1460 B9R0.45 N#CCCCSCCCO 62a_100000687738_100011215043 [0,0,0,0,0,0|2,0,1]=3 1461 B9R0.45 N#CCCCSCCCO 62a_100011215043_100000687738 [0,0,0,0,0,0|2,0,1]=3 1462 B9R0.45 N#CCCNCCCCO 2230a_100000750430_100011215226 [0,0,0,0,0,0|2,0,1]=3 1463 B9R0.45 N#CCCOCCCCCl 7a_100000210776_100000184422 [0,0,0,0,0,0|3,0,1]=4 1464 B9R0.45 N#CCCOCCCCF 7a_100011995726_100000184422 [0,0,0,0,0,0|3,0,1]=4 1465 B9R0.45 N#CCCSCCCCF 62a_100000729493_100011215226 [0,0,0,0,0,0|3,0,1]=4 1466 B9R0.45 N#CCCSCCCCF 62a_100011215226_100000729493 [0,0,0,0,0,0|3,0,1]=4 1467 B9R0.45 N#CCCSCCCCO 62a_100000210776_100011215226 [0,0,0,0,0,0|2,0,1]=3 1468 B9R0.45 N#CCCSCCCCO 62a_100011215226_100000210776 [0,0,0,0,0,0|2,0,1]=3 1469 B9R0.45 N#CCNCCCCCO 2230a_100000762737_100011215382 [0,0,0,0,0,0|2,0,1]=3 1470 B9R0.45 N#CCNCCOCCO 2230a_100000211614_100011215382 [0,0,0,0,0,0|3,0,1]=4 1471 B9R0.45 N#CCNCCSCCO 2230a_100011219999_100011215382 [0,0,0,0,0,0|3,0,1]=4 1472 B9R0.45 N#CCOCCCCCBr 7a_100000746331_100011215382 [0,0,0,0,0,0|3,0,1]=4 1473 B9R0.45 N#CCOCCCCCCl 7a_100000746330_100011215382 [0,0,0,0,0,0|3,0,1]=4 1474 B9R0.45 N#CCOCCCCCI 7a_200012148887_100011215382 [0,0,0,0,0,0|3,0,1]=4 1475 B9R0.45 N#CCOCCNCCO 2230a_100016997473_200000047693 [0,0,0,0,0,0|3,0,1]=4 1476 B9R0.45 N#CCOCCSCCO 62a_100000211926_200000047693 [0,0,0,0,0,0|3,0,1]=4 1477 B9R0.45 N#CCOCCSCCO 62a_200000047693_100000211926 [0,0,0,0,0,0|3,0,1]=4 1478 B9R0.45 N#CCSCCCCCF 62a_100000729378_100011215382 [0,0,0,0,0,0|3,0,1]=4 1479 B9R0.45 N#CCSCCCCCF 62a_100011215382_100000729378 [0,0,0,0,0,0|3,0,1]=4 1480 B9R0.45 N#CCSCCCCCO 62a_100000746330_100011215382 [0,0,0,0,0,0|2,0,1]=3 1481 B9R0.45 N#CCSCCCCCO 62a_100011215382_100000746330 [0,0,0,0,0,0|2,0,1]=3 1482 B9R0.45 N#CCSCCOCCO 62a_100011215305_100011215382 [0,0,0,0,0,0|3,0,1]=4 1483 B9R0.45 N#CCSCCOCCO 62a_100011215382_100011215305 [0,0,0,0,0,0|3,0,1]=4 1484 B9R0.45 N#CSCCSCCCO 62a_100000034367_100011215043 [0,0,0,0,0,0|3,0,1]=4 1485 B9R0.45 N#CSCCSCCCO 62a_100011215043_100000034367 [0,0,0,0,0,0|3,0,1]=4 1486 B9R0.45 N#CSCSCCCCO 62a_100000210776_100000211825 [0,0,0,0,0,0|3,0,1]=4 1487 B9R0.45 N#CSCSCCCCO 62a_100000211825_100000210776 [0,0,0,0,0,0|3,0,1]=4 1488 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [0,0,0,0,0,0|3,0,0]=3 1489 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [0,0,0,0,0,0|2,0,2]=4 1490 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [0,0,0,0,0,0|3,0,0]=3 1491 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [0,0,0,0,0,0|2,0,0]=2 1492 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [0,0,0,0,0,0|3,0,0]=3 1493 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [0,0,0,0,0,0|2,0,0]=2 1494 B9R0.45 NCCCOCC#CCO 34a_100000182051_200000047223 [0,0,0,0,0,0|2,0,2]=4 1495 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [0,0,0,0,0,0|3,0,0]=3 1496 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [0,0,0,0,0,0|2,0,0]=2 1497 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [0,0,0,0,0,0|3,0,0]=3 1498 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [0,0,0,0,0,0|2,0,0]=2 1499 B9R0.45 NCCOCCOCCF 34a_100000211614_100011217306 [0,0,0,0,0,0|4,0,0]=4 1500 B9R0.45 NCCOCCOCCO 34a_100000210304_100000692535 [0,0,0,0,0,0|3,0,0]=3 1501 B9R0.45 NCCOCCOCCO 34a_100000211614_100000211926 [0,0,0,0,0,0|3,0,0]=3 1502 B9R0.45 NOCCOCCCCF 34a_100000700252_100000729493 [0,0,0,0,0,0|4,0,0]=4 1503 B9R0.45 NOCCOCCCCO 34a_100000700252_100011216708 [0,0,0,0,0,0|3,0,0]=3 1504 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [0,0,0,0,0,0|2,0,2]=4 1505 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [0,0,0,0,0,0|2,0,2]=4 1506 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [0,0,0,0,0,0|2,0,1]=3 1507 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [0,0,0,0,0,0|2,0,2]=4 1508 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [0,0,0,0,0,0|2,0,2]=4 1509 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [0,0,0,0,0,0|2,0,1]=3 1510 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [0,0,0,0,0,0|2,0,1]=3 1511 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [0,0,0,0,0,0|2,0,2]=4 1512 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [0,0,0,0,0,0|2,0,2]=4 1513 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [0,0,0,0,0,0|2,0,2]=4 1514 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,0,0,0,0,0|2,0,1]=3 1515 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,0,0,0,0,0|2,0,1]=3 1516 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [0,0,0,0,0,0|2,0,1]=3 1517 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [0,0,0,0,0,0|2,0,1]=3 1518 B9R0.45 O=CCNCCOCCO 2230a_100000211614_200015260668 [0,0,0,0,0,0|3,0,1]=4 1519 B9R0.45 O=CCNCCOCCO 34a_100000211614_200009817547 [0,0,0,0,0,0|3,0,1]=4 1520 B9R0.45 O=CCNCCSCCO 2230a_100011219999_200015260668 [0,0,0,0,0,0|3,0,1]=4 1521 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [0,0,0,0,0,0|2,0,2]=4 1522 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [0,0,0,0,0,0|2,0,2]=4 1523 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [0,0,0,0,0,0|2,0,2]=4 1524 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [0,0,0,0,0,0|2,0,2]=4 1525 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [0,0,0,0,0,0|2,0,2]=4 1526 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [0,0,0,0,0,0|2,0,2]=4 1527 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [0,0,0,0,0,0|2,0,2]=4 1528 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [0,0,0,0,0,0|2,0,2]=4 1529 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [0,0,0,0,0,0|2,0,1]=3 1530 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [0,0,0,0,0,0|2,0,1]=3 1531 B9R0.45 O=CCSCCOCCO 62a_100011215305_200015260668 [0,0,0,0,0,0|3,0,1]=4 1532 B9R0.45 O=CCSCCOCCO 62a_200015260668_100011215305 [0,0,0,0,0,0|3,0,1]=4 1533 B9R0.45 OCC#CCNCCCF 2230a_100015189416_200000047223 [0,0,0,0,0,0|2,0,2]=4 1534 B9R0.45 OCC#CCNCCCF 34a_100015189416_200000047223 [0,0,0,0,0,0|2,0,2]=4 1535 B9R0.45 OCC#CCOCCCBr 34a_100011217188_200000047223 [0,0,0,0,0,0|2,0,2]=4 1536 B9R0.45 OCC#CCOCCCCl 34a_100000230001_200000047223 [0,0,0,0,0,0|2,0,2]=4 1537 B9R0.45 OCC#CCOCCCF 34a_100000759539_200000047223 [0,0,0,0,0,0|2,0,2]=4 1538 B9R0.45 OCC#CCSCCCF 62a_100011934791_200000047223 [0,0,0,0,0,0|2,0,2]=4 1539 B9R0.45 OCC#CCSCCCF 62a_200000047223_100011934791 [0,0,0,0,0,0|2,0,2]=4 1540 B9R0.45 OCC#CCSCCCO 62a_100011215043_200000047223 [0,0,0,0,0,0|2,0,2]=4 1541 B9R0.45 OCC#CCSCCCO 62a_200000047223_100011215043 [0,0,0,0,0,0|2,0,2]=4 1542 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [0,0,0,0,0,0|2,0,0]=2 1543 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [0,0,0,0,0,0|2,0,0]=2 1544 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [0,0,0,0,0,0|2,0,0]=2 1545 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [0,0,0,0,0,0|2,0,0]=2 1546 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [0,0,0,0,0,0|2,0,0]=2 1547 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [0,0,0,0,0,0|2,0,0]=2 1548 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [0,0,0,0,0,0|2,0,0]=2 1549 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [0,0,0,0,0,0|2,0,0]=2 1550 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [0,0,0,0,0,0|2,0,0]=2 1551 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [0,0,0,0,0,0|2,0,0]=2 1552 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [0,0,0,0,0,0|2,0,0]=2 1553 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [0,0,0,0,0,0|2,0,0]=2 1554 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [0,0,0,0,0,0|2,0,0]=2 1555 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [0,0,0,0,0,0|2,0,0]=2 1556 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [0,0,0,0,0,0|2,0,0]=2 1557 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [0,0,0,0,0,0|2,0,0]=2 1558 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [0,0,0,0,0,0|2,0,0]=2 1559 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [0,0,0,0,0,0|2,0,0]=2 1560 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [0,0,0,0,0,0|2,0,0]=2 1561 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [0,0,0,0,0,0|2,0,0]=2 1562 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [0,0,0,0,0,0|2,0,0]=2 1563 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [0,0,0,0,0,0|2,0,0]=2 1564 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [0,0,0,0,0,0|2,0,0]=2 1565 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [0,0,0,0,0,0|2,0,0]=2 1566 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [0,0,0,0,0,0|2,0,0]=2 1567 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [0,0,0,0,0,0|2,0,0]=2 1568 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [0,0,0,0,0,0|2,0,0]=2 1569 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [0,0,0,0,0,0|2,0,0]=2 1570 B9R0.45 OCCCOCC#CCCl 34a_200000047223_100000230001 [0,0,0,0,0,0|2,0,2]=4 1571 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [0,0,0,0,0,0|2,0,0]=2 1572 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [0,0,0,0,0,0|2,0,0]=2 1573 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [0,0,0,0,0,0|2,0,0]=2 1574 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [0,0,0,0,0,0|2,0,0]=2 1575 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [0,0,0,0,0,0|2,0,0]=2 1576 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [0,0,0,0,0,0|2,0,0]=2 1577 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [0,0,0,0,0,0|2,0,0]=2 1578 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [0,0,0,0,0,0|2,0,0]=2 1579 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [0,0,0,0,0,0|2,0,0]=2 1580 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [0,0,0,0,0,0|2,0,0]=2 1581 B9R0.45 OCCNCCOCCO 2230a_100000211614_100000211926 [0,0,0,0,0,0|3,0,0]=3 1582 B9R0.45 OCCNCCOCCO 2230a_100016997473_100011215305 [0,0,0,0,0,0|3,0,0]=3 1583 B9R0.45 OCCNCCOCCO 34a_100000211614_100000211926 [0,0,0,0,0,0|3,0,0]=3 1584 B9R0.45 OCCNCCOCCO 34a_100016990907_100000692535 [0,0,0,0,0,0|3,0,0]=3 1585 B9R0.45 OCCNCCSCCO 2230a_100011219999_100000211926 [0,0,0,0,0,0|3,0,0]=3 1586 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [0,0,0,0,0,0|2,0,0]=2 1587 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [0,0,0,0,0,0|2,0,0]=2 1588 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [0,0,0,0,0,0|2,0,0]=2 1589 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [0,0,0,0,0,0|2,0,0]=2 1590 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [0,0,0,0,0,0|2,0,0]=2 1591 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [0,0,0,0,0,0|2,0,0]=2 1592 B9R0.45 OCCOCCNCCF 2230a_100000211614_100011217306 [0,0,0,0,0,0|3,0,0]=3 1593 B9R0.45 OCCOCCNCCF 34a_100000211614_100011217306 [0,0,0,0,0,0|3,0,0]=3 1594 B9R0.45 OCCOCCNCCF 34a_100000724931_100000692535 [0,0,0,0,0,0|3,0,0]=3 1595 B9R0.45 OCCOCCOCCBr 34a_100000211926_100000692535 [0,0,0,0,0,0|3,0,0]=3 1596 B9R0.45 OCCOCCOCCBr 34a_100000692535_100000211926 [0,0,0,0,0,0|3,0,0]=3 1597 B9R0.45 OCCOCCOCCBr 7a_100000692535_100000211926 [0,0,0,0,0,0|3,0,0]=3 1598 B9R0.45 OCCOCCOCCCl 34a_100011215305_100000211926 [0,0,0,0,0,0|3,0,0]=3 1599 B9R0.45 OCCOCCOCCCl 7a_100011215305_100000211926 [0,0,0,0,0,0|3,0,0]=3 1600 B9R0.45 OCCOCCOCCF 34a_200015357709_100000211926 [0,0,0,0,0,0|3,0,0]=3 1601 B9R0.45 OCCOCCOCCF 7a_200015357709_100000211926 [0,0,0,0,0,0|3,0,0]=3 1602 B9R0.45 OCCOCCOCCI 34a_100012149058_100000211926 [0,0,0,0,0,0|3,0,0]=3 1603 B9R0.45 OCCOCCOCCI 7a_100012149058_100000211926 [0,0,0,0,0,0|3,0,0]=3 1604 B9R0.45 OCCOCCSCCF 62a_100011215305_100011217306 [0,0,0,0,0,0|3,0,0]=3 1605 B9R0.45 OCCOCCSCCF 62a_100011217306_100011215305 [0,0,0,0,0,0|3,0,0]=3 1606 B9R0.45 OCCOCCSCCO 62a_100000211926_100011215305 [0,0,0,0,0,0|3,0,0]=3 1607 B9R0.45 OCCOCCSCCO 62a_100011215305_100000211926 [0,0,0,0,0,0|3,0,0]=3 1608 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [0,0,0,0,0,0|2,0,0]=2 1609 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [0,0,0,0,0,0|2,0,0]=2 1610 B9R0.45 OCCSCCNCCF 2230a_100011219999_100011217306 [0,0,0,0,0,0|3,0,0]=3 1611 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [0,0,0,0,0,0|1,0,0]=1 1612 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [0,0,0,0,0,0|1,0,0]=1 1613 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [0,0,0,0,0,0|2,0,0]=2 1614 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [0,0,0,0,0,0|2,0,0]=2 1615 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [0,0,0,0,0,0|2,0,0]=2 1616 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [0,0,0,0,0,0|2,0,0]=2 1617 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [0,0,0,0,0,0|2,0,0]=2 1618 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [0,0,0,0,0,0|3,0,0]=3 1619 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [0,0,0,0,0,0|2,0,1]=3 1620 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [0,0,0,0,0,0|2,0,1]=3 1621 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,0,0,0,0,0|1,0,0]=1 1622 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,0,0,0,0,0|1,0,0]=1 1623 B9R0.45 [N-]=[N+]=NCCCNCCO 2230a_100000744732_100000211926 [0,0,0,0,0,0|4,0,0]=4 1624 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [1,0,0,0,0,0|1,0,2]=4 1625 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [1,0,0,0,0,0|1,0,2]=4 1626 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [1,0,0,0,0,0|1,0,2]=4 1627 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [1,0,0,0,0,0|1,0,2]=4 1628 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [1,0,0,0,0,0|1,0,2]=4 1629 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [1,0,0,0,0,0|1,0,2]=4 1630 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [1,0,0,0,0,0|1,0,2]=4 1631 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [1,0,0,0,0,0|1,0,2]=4 1632 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [1,0,0,0,0,0|1,0,2]=4 1633 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [1,0,0,0,0,0|1,0,2]=4 1634 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [1,0,0,0,0,0|1,0,2]=4 1635 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [1,0,0,0,0,0|1,0,2]=4 1636 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,0,0,0,0,0|1,0,2]=4 1637 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,0,0,0,0,0|1,0,2]=4 1638 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,0,0,0,0,0|1,0,2]=4 1639 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,0,0,0,0,0|1,0,2]=4 1640 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,0,0,0,0,0|1,0,2]=4 1641 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,0,0,0,0,0|1,0,2]=4 1642 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,0,0,0,0,0|1,0,2]=4 1643 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,0,0,0,0,0|1,0,2]=4 1644 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [1,0,0,0,0,0|1,0,2]=4 1645 B8R0.4 C#CCCCNCCO 2230a_100016997473_100000731252 [1,0,0,0,0,0|1,0,2]=4 1646 B8R0.4 C#CCCCNCCO 34a_100000718082_100000211926 [1,0,0,0,0,0|1,0,2]=4 1647 B8R0.4 C#CCCCNCCO 34a_100016990907_100000695029 [1,0,0,0,0,0|1,0,2]=4 1648 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [1,0,0,0,0,0|1,0,2]=4 1649 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [1,0,0,0,0,0|1,0,2]=4 1650 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [1,0,0,0,0,0|1,0,2]=4 1651 B8R0.4 C#CCCCOCCO 34a_100000215630_100000211926 [1,0,0,0,0,0|1,0,2]=4 1652 B8R0.4 C#CCCCOCCO 7a_100000215630_100000211926 [1,0,0,0,0,0|1,0,2]=4 1653 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [1,0,0,0,0,0|1,0,2]=4 1654 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [1,0,0,0,0,0|1,0,2]=4 1655 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [1,0,0,0,0,0|1,0,2]=4 1656 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [1,0,0,0,0,0|1,0,2]=4 1657 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [1,0,0,0,0,0|1,0,2]=4 1658 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [1,0,0,0,0,0|1,0,2]=4 1659 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [1,0,0,0,0,0|1,0,2]=4 1660 B8R0.4 C#CCCNCCCO 34a_100000755551_100000230001 [1,0,0,0,0,0|1,0,2]=4 1661 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [1,0,0,0,0,0|1,0,2]=4 1662 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [1,0,0,0,0,0|1,0,2]=4 1663 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [1,0,0,0,0,0|1,0,2]=4 1664 B8R0.4 C#CCCOCCCO 34a_100011215631_100000230001 [1,0,0,0,0,0|1,0,2]=4 1665 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [1,0,0,0,0,0|1,0,2]=4 1666 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [1,0,0,0,0,0|1,0,2]=4 1667 B8R0.4 C#CCCSCCCO 62a_100000688953_100011215043 [1,0,0,0,0,0|1,0,2]=4 1668 B8R0.4 C#CCCSCCCO 62a_100011215043_100000688953 [1,0,0,0,0,0|1,0,2]=4 1669 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [1,0,0,0,0,0|1,0,2]=4 1670 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [1,0,0,0,0,0|1,0,2]=4 1671 B8R0.4 C#CCNCCCCO 2230a_100000750430_100000038162 [1,0,0,0,0,0|1,0,2]=4 1672 B8R0.4 C#CCNCCCCO 34a_100000212058_100011216708 [1,0,0,0,0,0|1,0,2]=4 1673 B8R0.4 C#CCNCCCCO 34a_100000750430_100000184674 [1,0,0,0,0,0|1,0,2]=4 1674 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,0,0,0,0,0|1,0,2]=4 1675 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,0,0,0,0,0|1,0,2]=4 1676 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,0,0,0,0,0|1,0,2]=4 1677 B8R0.4 C#CCOCCCCO 34a_100000210247_100011216708 [1,0,0,0,0,0|1,0,2]=4 1678 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [1,0,0,0,0,0|1,0,2]=4 1679 B8R0.4 C#CCSCCCCO 62a_100000038162_100000210776 [1,0,0,0,0,0|1,0,2]=4 1680 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,0,0,0,0|1,0,2]=4 1681 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,0,0,0,0,0|1,0,2]=4 1682 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,0,0,0,0,0|1,0,2]=4 1683 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,0,0,0,0,0|1,0,2]=4 1684 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,0,0,0,0,0|1,0,2]=4 1685 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,0,0,0,0,0|1,0,2]=4 1686 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,0,0,0,0,0|1,0,2]=4 1687 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,0,0,0,0,0|1,0,2]=4 1688 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,0,0,0,0,0|1,0,2]=4 1689 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,0,0,0,0,0|1,0,2]=4 1690 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,0,0,0,0,0|1,0,2]=4 1691 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,0,0,0,0,0|1,0,2]=4 1692 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,0,0,0,0,0|1,0,2]=4 1693 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,0,0,0,0,0|1,0,2]=4 1694 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,0,0,0,0,0|1,0,2]=4 1695 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,0,0,0,0,0|1,0,2]=4 1696 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,0,0,0,0,0|1,0,2]=4 1697 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,0,0,0,0,0|1,0,2]=4 1698 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,0,0,0,0,0|1,0,2]=4 1699 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,0,0,0,0,0|1,0,2]=4 1700 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,0,0,0,0,0|1,0,2]=4 1701 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,0,0,0,0,0|1,0,2]=4 1702 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,0,0,0,0,0|1,0,2]=4 1703 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,0,0,0,0,0|1,0,2]=4 1704 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,0,0,0,0,0|1,0,2]=4 1705 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,0,0,0,0,0|1,0,2]=4 1706 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,0,0,0,0|1,0,2]=4 1707 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,0,0,0,0|1,0,2]=4 1708 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,0,0,0,0|1,0,2]=4 1709 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,0,0,0,0,0|1,0,2]=4 1710 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,0,0,0,0,0|1,0,2]=4 1711 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,0,0,0,0,0|1,0,2]=4 1712 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,0,0,0,0,0|1,0,2]=4 1713 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,0,0,0,0,0|1,0,2]=4 1714 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,0,0,0,0,0|1,0,2]=4 1715 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,0,0,0,0,0|1,0,2]=4 1716 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,0,0,0,0,0|1,0,2]=4 1717 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,0,0,0,0,0|1,0,2]=4 1718 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,0,0,0,0,0|1,0,2]=4 1719 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,0,0,0,0,0|1,0,2]=4 1720 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,0,0,0,0,0|1,0,2]=4 1721 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,0,0,0,0,0|1,0,2]=4 1722 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,0,0,0,0,0|1,0,2]=4 1723 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,0,0,0,0,0|1,0,2]=4 1724 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,0,0,0,0,0|1,0,2]=4 1725 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,0,0,0,0,0|1,0,2]=4 1726 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,0,0,0,0,0|1,0,2]=4 1727 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,0,0,0,0,0|1,0,2]=4 1728 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,0,0,0,0,0|1,0,2]=4 1729 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,0,0,0,0,0|1,0,2]=4 1730 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,0,0,0,0,0|1,0,2]=4 1731 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,0,0,0,0,0|1,0,2]=4 1732 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,0,0,0,0,0|1,0,2]=4 1733 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,0,0,0,0,0|1,0,2]=4 1734 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,0,0,0,0,0|1,0,2]=4 1735 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,0,0,0,0,0|1,0,2]=4 1736 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,0,0,0,0,0|1,0,2]=4 1737 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,0,0,0,0,0|1,0,2]=4 1738 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,0,0,0,0|1,0,2]=4 1739 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,0,0,0,0|1,0,2]=4 1740 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,0,0,0,0,0|1,0,2]=4 1741 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,0,0,0,0,0|1,0,2]=4 1742 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,0,0,0,0,0|1,0,2]=4 1743 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,0,0,0,0|1,0,2]=4 1744 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,0,0,0,0|1,0,2]=4 1745 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,0,0,0,0|1,0,2]=4 1746 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,0,0,0,0,0|1,0,2]=4 1747 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,0,0,0,0|1,0,2]=4 1748 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,0,0,0,0|1,0,2]=4 1749 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,0,0,0,0,0|1,0,2]=4 1750 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,0,0,0,0,0|1,0,2]=4 1751 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [1,0,0,0,0,0|1,0,2]=4 1752 B8R0.4 CC#CCCOCCO 34a_100000750427_100000211926 [1,0,0,0,0,0|1,0,2]=4 1753 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [1,0,0,0,0,0|1,0,2]=4 1754 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [1,0,0,0,0,0|1,0,2]=4 1755 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [1,0,0,0,0,0|1,0,2]=4 1756 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [1,0,0,0,0,0|1,0,2]=4 1757 B8R0.4 CC#CCNCCCO 2230a_100000685387_100000230001 [1,0,0,0,0,0|1,0,2]=4 1758 B8R0.4 CC#CCNCCCO 34a_100000685387_100000230001 [1,0,0,0,0,0|1,0,2]=4 1759 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [1,0,0,0,0,0|1,0,2]=4 1760 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [1,0,0,0,0,0|1,0,2]=4 1761 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [1,0,0,0,0,0|1,0,2]=4 1762 B8R0.4 CC#CCOCCCO 34a_100000761923_100000230001 [1,0,0,0,0,0|1,0,2]=4 1763 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [1,0,0,0,0,0|1,0,2]=4 1764 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [1,0,0,0,0,0|1,0,2]=4 1765 B8R0.4 CC#CCSCCCO 62a_100000748600_100011215043 [1,0,0,0,0,0|1,0,2]=4 1766 B8R0.4 CC#CCSCCCO 62a_100011215043_100000748600 [1,0,0,0,0,0|1,0,2]=4 1767 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,0,0,0,0,0|1,0,2]=4 1768 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,0,0,0,0,0|1,0,2]=4 1769 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,0,0,0,0,0|1,0,2]=4 1770 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,0,0,0,0,0|1,0,2]=4 1771 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,0,0,0,0,0|1,0,2]=4 1772 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,0,0,0,0|1,0,2]=4 1773 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,0,0,0,0|1,0,2]=4 1774 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,0,0,0,0|1,0,2]=4 1775 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,0,0,0,0,0|1,0,2]=4 1776 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,0,0,0,0,0|1,0,2]=4 1777 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [1,0,0,0,0,0|1,0,2]=4 1778 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [1,0,0,0,0,0|1,0,2]=4 1779 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,0,0,0,0,0|1,0,2]=4 1780 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,0,0,0,0,0|1,0,2]=4 1781 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,0,0,0,0,0|1,0,2]=4 1782 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,0,0,0,0,0|1,0,2]=4 1783 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,0,0,0,0,0|1,0,2]=4 1784 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [1,0,0,0,0,0|1,0,2]=4 1785 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [1,0,0,0,0,0|1,0,2]=4 1786 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|1,0,2]=4 1787 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,0,0,0,0,0|1,0,2]=4 1788 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,0,0,0,0,0|1,0,2]=4 1789 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,0,0,0,0,0|1,0,2]=4 1790 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,0,0,0,0,0|1,0,2]=4 1791 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,0,0,0,0,0|1,0,2]=4 1792 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,0,0,0,0,0|1,0,2]=4 1793 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,0,0,0,0,0|1,0,2]=4 1794 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,0,0,0,0,0|1,0,2]=4 1795 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,0,0,0,0,0|2,0,1]=4 1796 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [1,0,0,0,0,0|1,0,2]=4 1797 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [1,0,0,0,0,0|1,0,2]=4 1798 B8R0.4 CCC#CCNCCO 2230a_100016997473_100009813939 [1,0,0,0,0,0|1,0,2]=4 1799 B8R0.4 CCC#CCNCCO 34a_100016990907_100009813939 [1,0,0,0,0,0|1,0,2]=4 1800 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [1,0,0,0,0,0|1,0,2]=4 1801 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [1,0,0,0,0,0|1,0,2]=4 1802 B8R0.4 CCC#CCOCCO 34a_100000032950_100000211926 [1,0,0,0,0,0|1,0,2]=4 1803 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [1,0,0,0,0,0|1,0,2]=4 1804 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [1,0,0,0,0,0|1,0,2]=4 1805 B8R0.4 CCC#CCSCCO 62a_100000211926_100009813939 [1,0,0,0,0,0|1,0,2]=4 1806 B8R0.4 CCC#CCSCCO 62a_100009813939_100000211926 [1,0,0,0,0,0|1,0,2]=4 1807 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,0,0,0,0,0|1,0,2]=4 1808 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,0,0,0,0,0|1,0,2]=4 1809 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,0,0,0,0,0|2,0,1]=4 1810 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [1,0,0,0,0,0|1,0,2]=4 1811 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [1,0,0,0,0,0|1,0,2]=4 1812 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [1,0,0,0,0,0|1,0,2]=4 1813 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [1,0,0,0,0,0|1,0,2]=4 1814 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [1,0,0,0,0,0|1,0,2]=4 1815 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [1,0,0,0,0,0|1,0,2]=4 1816 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,0,0,0,0,0|1,0,2]=4 1817 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,0,0,0,0,0|1,0,2]=4 1818 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,0,0,0,0,0|1,0,2]=4 1819 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,0,0,0,0,0|1,0,2]=4 1820 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [1,0,0,0,0,0|2,0,1]=4 1821 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [1,0,0,0,0,0|2,0,1]=4 1822 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [1,0,0,0,0,0|1,0,2]=4 1823 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [1,0,0,0,0,0|1,0,2]=4 1824 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [1,0,0,0,0,0|1,0,2]=4 1825 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [1,0,0,0,0,0|1,0,2]=4 1826 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [1,0,0,0,0,0|2,0,1]=4 1827 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,0,0,0,0|1,0,0]=2 1828 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,0,0,0,0|1,0,0]=2 1829 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,0,0,0,0|1,0,0]=2 1830 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,0,0,0,0|1,0,0]=2 1831 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,0,0,0,0|1,0,0]=2 1832 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,0,0,0,0|1,0,0]=2 1833 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,0,0,0,0|1,0,0]=2 1834 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,0,0,0,0|1,0,0]=2 1835 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,0,0,0,0|1,0,0]=2 1836 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,0,0,0,0|1,0,0]=2 1837 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,0,0,0,0|1,0,0]=2 1838 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,0,0,0,0|1,0,0]=2 1839 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,0,0,0,0|1,0,0]=2 1840 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,0,0,0,0|1,0,0]=2 1841 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,0,0,0,0,0|1,0,0]=2 1842 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,0,0,0,0,0|1,0,0]=2 1843 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|1,0,0]=2 1844 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|1,0,0]=2 1845 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|1,0,0]=2 1846 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,0,0,0,0,0|2,0,0]=3 1847 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,0,0,0,0,0|2,0,0]=3 1848 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,0,0,0,0,0|1,0,0]=2 1849 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,0,0,0,0,0|1,0,0]=2 1850 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,0,0,0,0,0|2,0,0]=3 1851 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,0,0,0,0,0|2,0,0]=3 1852 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [1,0,0,0,0,0|2,0,1]=4 1853 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,0,0,0,0,0|1,0,2]=4 1854 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,0,0,0,0|1,0,0]=2 1855 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,0,0,0,0,0|2,0,0]=3 1856 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,0,0,0,0,0|2,0,0]=3 1857 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,0,0,0,0|1,0,0]=2 1858 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,0,0,0,0|1,0,0]=2 1859 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,0,0,0,0|1,0,0]=2 1860 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,0,0,0,0,0|2,0,0]=3 1861 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,0,0,0,0,0|2,0,0]=3 1862 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,0,0,0,0,0|2,0,1]=4 1863 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,0,0,0,0|1,0,2]=4 1864 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,0,0,0,0|1,0,2]=4 1865 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,0,0,0,0,0|2,0,0]=3 1866 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,0,0,0,0|1,0,0]=2 1867 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,0,0,0,0|1,0,0]=2 1868 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,0,0,0,0|1,0,0]=2 1869 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,0,0,0,0,0|2,0,0]=3 1870 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,0,0,0,0,0|2,0,0]=3 1871 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,0,0,0,0,0|2,0,0]=3 1872 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,0,0,0,0|1,0,0]=2 1873 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,0,0,0,0|1,0,0]=2 1874 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,0,0,0,0,0|2,0,0]=3 1875 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [1,0,0,0,0,0|2,0,1]=4 1876 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [1,0,0,0,0,0|2,0,1]=4 1877 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,0,0,0,0,0|1,0,2]=4 1878 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,0,0,0,0,0|1,0,2]=4 1879 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,0,0,0,0|1,0,0]=2 1880 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,0,0,0,0|1,0,0]=2 1881 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,0,0,0,0,0|2,0,0]=3 1882 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,0,0,0,0,0|2,0,0]=3 1883 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,0,0,0,0|1,0,0]=2 1884 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,0,0,0,0|1,0,0]=2 1885 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,0,0,0,0,0|2,0,0]=3 1886 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,0,0,0,0,0|2,0,0]=3 1887 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,0,0,0,0,0|2,0,0]=3 1888 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,0,0,0,0,0|2,0,0]=3 1889 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [1,0,0,0,0,0|2,0,1]=4 1890 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [1,0,0,0,0,0|2,0,1]=4 1891 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,0,0,0,0,0|1,0,0]=2 1892 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,0,0,0,0,0|1,0,0]=2 1893 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,0,0,0,0,0|2,0,0]=3 1894 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,0,0,0,0,0|2,0,0]=3 1895 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,0,0,0,0,0|2,0,0]=3 1896 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,0,0,0,0,0|2,0,0]=3 1897 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,0,0,0,0,0|1,0,0]=2 1898 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,0,0,0,0,0|1,0,0]=2 1899 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,0,0,0,0,0|2,0,0]=3 1900 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,0,0,0,0,0|2,0,0]=3 1901 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,0,0,0,0,0|2,0,0]=3 1902 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,0,0,0,0,0|2,0,0]=3 1903 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,0,0,0,0,0|2,0,0]=3 1904 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,0,0,0,0,0|2,0,0]=3 1905 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [1,0,0,0,0,0|2,0,1]=4 1906 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,0,0,0,0,0|2,0,0]=3 1907 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,0,0,0,0,0|1,0,0]=2 1908 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,0,0,0,0,0|1,0,0]=2 1909 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,0,0,0,0,0|2,0,0]=3 1910 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,0,0,0,0,0|2,0,0]=3 1911 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,0,0,0,0,0|2,0,0]=3 1912 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,0,0,0,0,0|2,0,0]=3 1913 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,0,0,0,0,0|2,0,0]=3 1914 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,0,0,0,0,0|1,0,0]=2 1915 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,0,0,0,0,0|1,0,0]=2 1916 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,0,0,0,0,0|2,0,0]=3 1917 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,0,0,0,0,0|2,0,0]=3 1918 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,0,0,0,0,0|2,0,0]=3 1919 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,0,0,0,0,0|2,0,0]=3 1920 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,0,0,0,0,0|2,0,0]=3 1921 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,0,0,0,0,0|2,0,0]=3 1922 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,0,0,0,0,0|2,0,0]=3 1923 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,0,0,0,0,0|2,0,0]=3 1924 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,0,0,0,0,0|2,0,0]=3 1925 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [1,0,0,0,0,0|3,0,0]=4 1926 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,0,0,0,0,0|2,0,0]=3 1927 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,0,0,0,0,0|2,0,0]=3 1928 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,0,0,0,0,0|2,0,0]=3 1929 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,0,0,0,0,0|2,0,0]=3 1930 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,0,0,0,0,0|2,0,0]=3 1931 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,0,0,0,0,0|2,0,0]=3 1932 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,0,0,0,0,0|2,0,0]=3 1933 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,0,0,0,0,0|2,0,0]=3 1934 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,0,0,0,0,0|2,0,0]=3 1935 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,0,0,0,0,0|2,0,0]=3 1936 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,0,0,0,0,0|2,0,0]=3 1937 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,0,0,0,0,0|2,0,0]=3 1938 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,0,0,0,0,0|2,0,0]=3 1939 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,0,0,0,0,0|2,0,0]=3 1940 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [1,0,0,0,0,0|3,0,0]=4 1941 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [1,0,0,0,0,0|3,0,0]=4 1942 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [1,0,0,0,0,0|2,0,1]=4 1943 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [1,0,0,0,0,0|2,0,1]=4 1944 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,0,0,0,0,0|1,0,0]=2 1945 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,0,0,0,0,0|2,0,0]=3 1946 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,0,0,0,0,0|2,0,0]=3 1947 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,0,0,0,0,0|1,0,0]=2 1948 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,0,0,0,0,0|1,0,0]=2 1949 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,0,0,0,0,0|2,0,0]=3 1950 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,0,0,0,0,0|2,0,0]=3 1951 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,0,0,0,0,0|2,0,0]=3 1952 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,0,0,0,0,0|2,0,0]=3 1953 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,0,0,0,0,0|2,0,0]=3 1954 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,0,0,0,0,0|2,0,0]=3 1955 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,0,0,0,0,0|2,0,0]=3 1956 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,0,0,0,0,0|2,0,0]=3 1957 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,0,0,0,0,0|2,0,0]=3 1958 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,0,0,0,0,0|2,0,0]=3 1959 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,0,0,0,0,0|2,0,0]=3 1960 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,0,0,0,0,0|2,0,0]=3 1961 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,0,0,0,0|1,0,0]=2 1962 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,0,0,0,0|1,0,0]=2 1963 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,0,0,0,0,0|2,0,0]=3 1964 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,0,0,0,0,0|2,0,0]=3 1965 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,0,0,0,0,0|2,0,0]=3 1966 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,0,0,0,0,0|2,0,0]=3 1967 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,0,0,0,0,0|2,0,0]=3 1968 B8R0.4 CCCOCC#CCO 34a_100000210258_200000047223 [1,0,0,0,0,0|1,0,2]=4 1969 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,0,0,0,0,0|2,0,0]=3 1970 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,0,0,0,0,0|2,0,0]=3 1971 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,0,0,0,0,0|2,0,0]=3 1972 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,0,0,0,0,0|2,0,0]=3 1973 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,0,0,0,0,0|2,0,0]=3 1974 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,0,0,0,0,0|2,0,0]=3 1975 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,0,0,0,0,0|2,0,0]=3 1976 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,0,0,0,0,0|2,0,0]=3 1977 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,0,0,0,0|1,0,0]=2 1978 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,0,0,0,0,0|2,0,0]=3 1979 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,0,0,0,0,0|2,0,0]=3 1980 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,0,0,0,0,0|2,0,0]=3 1981 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,0,0,0,0,0|2,0,0]=3 1982 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,0,0,0,0,0|2,0,0]=3 1983 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,0,0,0,0,0|2,0,0]=3 1984 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,0,0,0,0,0|2,0,0]=3 1985 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,0,0,0,0,0|2,0,0]=3 1986 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,0,0,0,0,0|2,0,0]=3 1987 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,0,0,0,0,0|2,0,0]=3 1988 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,0,0,0,0,0|2,0,0]=3 1989 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,0,0,0,0,0|2,0,0]=3 1990 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [1,0,0,0,0,0|3,0,0]=4 1991 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,0,0,0,0|2,0,0]=3 1992 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,0,0,0,0|2,0,0]=3 1993 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,0,0,0,0|2,0,0]=3 1994 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,0,0,0,0|2,0,0]=3 1995 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,0,0,0,0|2,0,0]=3 1996 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,0,0,0,0|2,0,0]=3 1997 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,0,0,0,0,0|3,0,0]=4 1998 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,0,0,0,0,0|3,0,0]=4 1999 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,0,0,0,0,0|2,0,0]=3 2000 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,0,0,0,0,0|2,0,0]=3 2001 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,0,0,0,0,0|2,0,0]=3 2002 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,0,0,0,0,0|2,0,0]=3 2003 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,0,0,0,0,0|2,0,0]=3 2004 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [1,0,0,0,0,0|3,0,0]=4 2005 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [1,0,0,0,0,0|3,0,0]=4 2006 B8R0.4 CCCSCC#CCO 62a_100000210303_200000047223 [1,0,0,0,0,0|1,0,2]=4 2007 B8R0.4 CCCSCC#CCO 62a_200000047223_100000210303 [1,0,0,0,0,0|1,0,2]=4 2008 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [1,0,0,0,0,0|2,0,1]=4 2009 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [1,0,0,0,0,0|2,0,1]=4 2010 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,0,0,0,0|1,0,2]=4 2011 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,0,0,0,0|1,0,2]=4 2012 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,0,0,0,0,0|2,0,0]=3 2013 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,0,0,0,0,0|2,0,0]=3 2014 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,0,0,0,0|1,0,0]=2 2015 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,0,0,0,0|1,0,0]=2 2016 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,0,0,0,0,0|2,0,0]=3 2017 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,0,0,0,0,0|2,0,0]=3 2018 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,0,0,0,0,0|2,0,0]=3 2019 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,0,0,0,0,0|2,0,0]=3 2020 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,0,0,0,0,0|2,0,0]=3 2021 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,0,0,0,0,0|2,0,0]=3 2022 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,0,0,0,0,0|2,0,0]=3 2023 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [1,0,0,0,0,0|3,0,0]=4 2024 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [1,0,0,0,0,0|3,0,0]=4 2025 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,0,0,0,0,0|2,0,0]=3 2026 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,0,0,0,0,0|2,0,0]=3 2027 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,0,0,0,0,0|2,0,1]=4 2028 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,0,0,0,0|1,0,2]=4 2029 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,0,0,0,0,0|2,0,0]=3 2030 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,0,0,0,0|1,0,0]=2 2031 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,0,0,0,0|1,0,0]=2 2032 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,0,0,0,0|1,0,0]=2 2033 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,0,0,0,0,0|2,0,0]=3 2034 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,0,0,0,0,0|2,0,0]=3 2035 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,0,0,0,0,0|2,0,0]=3 2036 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,0,0,0,0,0|2,0,0]=3 2037 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,0,0,0,0,0|2,0,0]=3 2038 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,0,0,0,0,0|2,0,0]=3 2039 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,0,0,0,0,0|2,0,0]=3 2040 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [1,0,0,0,0,0|2,0,0]=3 2041 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [1,0,0,0,0,0|3,0,0]=4 2042 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 2043 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 2044 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 2045 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 2046 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,0,0,0,0|2,0,0]=3 2047 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 2048 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 2049 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,0]=3 2050 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,0,0,0,0|1,0,0]=2 2051 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,0,0,0,0,0|2,0,0]=3 2052 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,0,0,0,0,0|2,0,0]=3 2053 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,0,0,0,0,0|2,0,0]=3 2054 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,0,0,0,0,0|2,0,0]=3 2055 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,0,0,0,0,0|3,0,0]=4 2056 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,0,0,0,0,0|2,0,0]=3 2057 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,0,0,0,0,0|2,0,0]=3 2058 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,0,0,0,0,0|2,0,0]=3 2059 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 2060 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 2061 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,0,0,0,0,0|2,0,0]=3 2062 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,0,0,0,0,0|2,0,0]=3 2063 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,0,0,0,0,0|2,0,0]=3 2064 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,0,0,0,0,0|2,0,0]=3 2065 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,0,0,0,0,0|3,0,0]=4 2066 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,0,0,0,0,0|3,0,0]=4 2067 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 2068 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [1,0,0,0,0,0|3,0,0]=4 2069 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 2070 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,0,0,0,0,0|2,0,0]=3 2071 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,0,0,0,0,0|2,0,0]=3 2072 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,0,0,0,0,0|2,0,0]=3 2073 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,0,0,0,0,0|2,0,0]=3 2074 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [1,0,0,0,0,0|3,0,0]=4 2075 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [1,0,0,0,0,0|3,0,0]=4 2076 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [1,0,0,0,0,0|3,0,0]=4 2077 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,0,0,0,0,0|3,0,0]=4 2078 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,0,0,0,0,0|3,0,0]=4 2079 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,0,0,0,0,0|3,0,0]=4 2080 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 2081 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 2082 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,0,0,0,0,0|3,0,0]=4 2083 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,0,0,0,0,0|3,0,0]=4 2084 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,0,0,0,0,0|3,0,0]=4 2085 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,0,0,0,0,0|3,0,0]=4 2086 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,0,0,0,0,0|3,0,0]=4 2087 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,0,0,0,0,0|3,0,0]=4 2088 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,0,0,0,0,0|3,0,0]=4 2089 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,0,0,0,0,0|3,0,0]=4 2090 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,0,0,0,0,0|2,0,0]=3 2091 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,0,0,0,0,0|2,0,0]=3 2092 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,0,0,0,0,0|2,0,0]=3 2093 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,0,0,0,0,0|3,0,0]=4 2094 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [1,0,0,0,0,0|3,0,0]=4 2095 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [1,0,0,0,0,0|3,0,0]=4 2096 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,0,0,0,0,0|2,0,0]=3 2097 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,0,0,0,0,0|2,0,0]=3 2098 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [1,0,0,0,0,0|3,0,0]=4 2099 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [1,0,0,0,0,0|3,0,0]=4 2100 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [1,0,0,0,0,0|3,0,0]=4 2101 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [1,0,0,0,0,0|3,0,0]=4 2102 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [1,0,0,0,0,0|3,0,0]=4 2103 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [1,0,0,0,0,0|3,0,0]=4 2104 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,0,0,0,0,0|2,0,0]=3 2105 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,0,0,0,0,0|2,0,0]=3 2106 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [1,0,0,0,0,0|3,0,0]=4 2107 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [1,0,0,0,0,0|3,0,0]=4 2108 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [1,0,0,0,0,0|3,0,0]=4 2109 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [1,0,0,0,0,0|3,0,0]=4 2110 B8R0.4 CCOCSCOCC 62a_100000739092_100000739092 [1,0,0,0,0,0|3,0,0]=4 2111 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,0,0,0,0,0|2,0,1]=4 2112 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,0,0,0,0,0|2,0,1]=4 2113 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,0,0,0,0|1,0,2]=4 2114 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,0,0,0,0|1,0,2]=4 2115 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,0,0,0,0,0|2,0,0]=3 2116 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,0,0,0,0,0|2,0,0]=3 2117 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,0,0,0,0|1,0,0]=2 2118 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,0,0,0,0|1,0,0]=2 2119 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,0,0,0,0,0|2,0,0]=3 2120 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,0,0,0,0,0|2,0,0]=3 2121 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,0,0,0,0,0|3,0,0]=4 2122 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,0,0,0,0,0|3,0,0]=4 2123 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [1,0,0,0,0,0|3,0,0]=4 2124 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [1,0,0,0,0,0|3,0,0]=4 2125 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [1,0,0,0,0,0|2,0,0]=3 2126 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [1,0,0,0,0,0|2,0,0]=3 2127 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [1,0,0,0,0,0|2,0,0]=3 2128 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [1,0,0,0,0,0|3,0,0]=4 2129 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [1,0,0,0,0,0|3,0,0]=4 2130 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [1,0,0,0,0,0|3,0,0]=4 2131 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [1,0,0,0,0,0|3,0,0]=4 2132 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [1,0,0,0,0,0|3,0,0]=4 2133 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [1,0,0,0,0,0|3,0,0]=4 2134 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,0,0,0,0,0|2,0,0]=3 2135 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,0,0,0,0,0|2,0,0]=3 2136 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,0,0,0,0,0|2,0,0]=3 2137 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,0,0,0,0,0|2,0,0]=3 2138 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [1,0,0,0,0,0|3,0,0]=4 2139 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [1,0,0,0,0,0|3,0,0]=4 2140 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [1,0,0,0,0,0|3,0,0]=4 2141 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [1,0,0,0,0,0|2,0,0]=3 2142 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [1,0,0,0,0,0|2,0,0]=3 2143 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [1,0,0,0,0,0|3,0,0]=4 2144 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [1,0,0,0,0,0|3,0,0]=4 2145 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [1,0,0,0,0,0|3,0,0]=4 2146 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [1,0,0,0,0,0|3,0,0]=4 2147 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [1,0,0,0,0,0|3,0,0]=4 2148 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [1,0,0,0,0,0|3,0,0]=4 2149 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [1,0,0,0,0,0|2,0,1]=4 2150 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [1,0,0,0,0,0|2,0,1]=4 2151 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,0,0,0,0,0|1,0,2]=4 2152 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,0,0,0,0,0|1,0,2]=4 2153 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,0,0,0,0,0|2,0,0]=3 2154 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,0,0,0,0,0|2,0,0]=3 2155 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,0,0,0,0,0|2,0,0]=3 2156 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,0,0,0,0|1,0,0]=2 2157 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,0,0,0,0|1,0,0]=2 2158 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,0,0,0,0|1,0,0]=2 2159 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,0,0,0,0|1,0,0]=2 2160 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,0,0,0,0|1,0,0]=2 2161 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,0,0,0,0,0|2,0,0]=3 2162 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,0,0,0,0,0|2,0,0]=3 2163 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,0,0,0,0,0|2,0,0]=3 2164 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,0,0,0,0,0|2,0,0]=3 2165 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,0,0,0,0,0|3,0,0]=4 2166 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,0,0,0,0,0|2,0,0]=3 2167 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [1,0,0,0,0,0|3,0,0]=4 2168 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [1,0,0,0,0,0|3,0,0]=4 2169 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [1,0,0,0,0,0|3,0,0]=4 2170 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [1,0,0,0,0,0|3,0,0]=4 2171 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [1,0,0,0,0,0|3,0,0]=4 2172 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [1,0,0,0,0,0|3,0,0]=4 2173 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [1,0,0,0,0,0|3,0,0]=4 2174 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [1,0,0,0,0,0|3,0,0]=4 2175 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,0,0,0,0,0|2,0,0]=3 2176 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,0,0,0,0,0|2,0,0]=3 2177 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,0,0,0,0,0|2,0,0]=3 2178 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,0,0,0,0,0|2,0,0]=3 2179 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,0,0,0,0,0|2,0,0]=3 2180 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,0,0,0,0,0|2,0,0]=3 2181 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,0,0,0,0,0|2,0,0]=3 2182 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,0,0,0,0,0|2,0,0]=3 2183 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,0,0,0,0|1,0,0]=2 2184 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,0,0,0,0,0|2,0,0]=3 2185 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,0,0,0,0,0|2,0,0]=3 2186 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [1,0,0,0,0,0|3,0,0]=4 2187 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [1,0,0,0,0,0|3,0,0]=4 2188 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [1,0,0,0,0,0|3,0,0]=4 2189 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [1,0,0,0,0,0|3,0,0]=4 2190 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [1,0,0,0,0,0|3,0,0]=4 2191 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,0,0,0,0,0|2,0,0]=3 2192 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,0,0,0,0,0|2,0,0]=3 2193 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,0,0,0,0,0|2,0,0]=3 2194 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [1,0,0,0,0,0|3,0,0]=4 2195 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,0,0,0,0,0|3,0,0]=4 2196 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,0,0,0,0,0|3,0,0]=4 2197 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,0,0,0,0,0|3,0,0]=4 2198 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,0,0,0,0,0|2,0,0]=3 2199 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [1,0,0,0,0,0|3,0,0]=4 2200 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [1,0,0,0,0,0|3,0,0]=4 2201 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [1,0,0,0,0,0|3,0,0]=4 2202 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,0,0,0,0,0|2,0,0]=3 2203 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,0,0,0,0,0|2,0,0]=3 2204 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [1,0,0,0,0,0|3,0,0]=4 2205 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [1,0,0,0,0,0|3,0,0]=4 2206 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [1,0,0,0,0,0|3,0,0]=4 2207 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [1,0,0,0,0,0|3,0,0]=4 2208 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [1,0,0,0,0,0|3,0,0]=4 2209 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [1,0,0,0,0,0|3,0,0]=4 2210 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [1,0,0,0,0,0|3,0,0]=4 2211 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [1,0,0,0,0,0|2,0,0]=3 2212 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [1,0,0,0,0,0|3,0,0]=4 2213 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [1,0,0,0,0,0|3,0,0]=4 2214 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [1,0,0,0,0,0|3,0,0]=4 2215 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [1,0,0,0,0,0|3,0,0]=4 2216 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [1,0,0,0,0,0|3,0,0]=4 2217 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [1,0,0,0,0,0|3,0,0]=4 2218 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [1,0,0,0,0,0|3,0,0]=4 2219 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [1,0,0,0,0,0|3,0,0]=4 2220 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [1,0,0,0,0,0|2,0,0]=3 2221 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [1,0,0,0,0,0|3,0,0]=4 2222 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [1,0,0,0,0,0|3,0,0]=4 2223 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [1,0,0,0,0,0|3,0,0]=4 2224 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [1,0,0,0,0,0|3,0,0]=4 2225 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [1,0,0,0,0,0|3,0,0]=4 2226 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [1,0,0,0,0,0|3,0,0]=4 2227 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [1,0,0,0,0,0|3,0,0]=4 2228 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [1,0,0,0,0,0|3,0,0]=4 2229 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [1,0,0,0,0,0|3,0,0]=4 2230 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [1,0,0,0,0,0|3,0,0]=4 2231 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [1,0,0,0,0,0|3,0,0]=4 2232 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [1,0,0,0,0,0|3,0,0]=4 2233 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [1,0,0,0,0,0|3,0,0]=4 2234 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [1,0,0,0,0,0|3,0,0]=4 2235 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [1,0,0,0,0,0|3,0,0]=4 2236 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [1,0,0,0,0,0|3,0,0]=4 2237 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [1,0,0,0,0,0|3,0,0]=4 2238 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [1,0,0,0,0,0|2,0,0]=3 2239 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [1,0,0,0,0,0|2,0,0]=3 2240 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [1,0,0,0,0,0|3,0,0]=4 2241 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [1,0,0,0,0,0|3,0,0]=4 2242 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [1,0,0,0,0,0|3,0,0]=4 2243 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,0,0,0,0,0|2,0,0]=3 2244 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [1,0,0,0,0,0|3,0,0]=4 2245 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [1,0,0,0,0,0|3,0,0]=4 2246 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [1,0,0,0,0,0|3,0,0]=4 2247 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,0,0,0,0,0|2,0,0]=3 2248 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,0,0,0,0,0|2,0,0]=3 2249 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [1,0,0,0,0,0|2,0,1]=4 2250 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [1,0,0,0,0,0|2,0,1]=4 2251 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,0,0,0,0,0|1,0,2]=4 2252 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,0,0,0,0,0|1,0,2]=4 2253 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,0,0,0,0,0|2,0,0]=3 2254 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,0,0,0,0,0|2,0,0]=3 2255 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,0,0,0,0|1,0,0]=2 2256 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,0,0,0,0|1,0,0]=2 2257 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,0,0,0,0,0|3,0,0]=4 2258 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,0,0,0,0,0|3,0,0]=4 2259 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [1,0,0,0,0,0|3,0,0]=4 2260 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,0,0,0,0,0|2,0,0]=3 2261 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [1,0,0,0,0,0|3,0,0]=4 2262 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,0,0,0,0,0|3,0,0]=4 2263 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,0,0,0,0,0|3,0,0]=4 2264 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,0,0,0,0,0|2,0,0]=3 2265 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,0,0,0,0,0|2,0,0]=3 2266 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [1,0,0,0,0,0|3,0,0]=4 2267 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [1,0,0,0,0,0|3,0,0]=4 2268 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [1,0,0,0,0,0|3,0,0]=4 2269 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [1,0,0,0,0,0|3,0,0]=4 2270 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [1,0,0,0,0,0|2,0,0]=3 2271 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [1,0,0,0,0,0|3,0,0]=4 2272 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [1,0,0,0,0,0|3,0,0]=4 2273 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [1,0,0,0,0,0|3,0,0]=4 2274 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [1,0,0,0,0,0|3,0,0]=4 2275 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [1,0,0,0,0,0|3,0,0]=4 2276 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [1,0,0,0,0,0|3,0,0]=4 2277 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [1,0,0,0,0,0|3,0,0]=4 2278 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [1,0,0,0,0,0|2,0,0]=3 2279 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [1,0,0,0,0,0|2,0,0]=3 2280 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [1,0,0,0,0,0|3,0,0]=4 2281 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [1,0,0,0,0,0|3,0,0]=4 2282 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [1,0,0,0,0,0|3,0,0]=4 2283 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [1,0,0,0,0,0|3,0,0]=4 2284 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [1,0,0,0,0,0|2,0,0]=3 2285 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [1,0,0,0,0,0|2,0,0]=3 2286 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [1,0,0,0,0,0|3,0,0]=4 2287 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [1,0,0,0,0,0|2,0,0]=3 2288 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [1,0,0,0,0,0|2,0,0]=3 2289 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [1,0,0,0,0,0|3,0,0]=4 2290 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [1,0,0,0,0,0|3,0,0]=4 2291 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [1,0,0,0,0,0|3,0,0]=4 2292 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [1,0,0,0,0,0|3,0,0]=4 2293 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [1,0,0,0,0,0|3,0,0]=4 2294 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [1,0,0,0,0,0|3,0,0]=4 2295 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [1,0,0,0,0,0|3,0,0]=4 2296 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [1,0,0,0,0,0|2,0,0]=3 2297 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [1,0,0,0,0,0|2,0,0]=3 2298 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [1,0,0,0,0,0|3,0,0]=4 2299 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [1,0,0,0,0,0|3,0,0]=4 2300 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [1,0,0,0,0,0|3,0,0]=4 2301 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [1,0,0,0,0,0|3,0,0]=4 2302 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [1,0,0,0,0,0|3,0,0]=4 2303 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [1,0,0,0,0,0|3,0,0]=4 2304 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [1,0,0,0,0,0|3,0,0]=4 2305 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [1,0,0,0,0,0|3,0,0]=4 2306 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [1,0,0,0,0,0|3,0,0]=4 2307 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [1,0,0,0,0,0|3,0,0]=4 2308 B8R0.4 FCCCOCCCBr 34a_100011217188_100011934791 [1,0,0,0,0,0|3,0,0]=4 2309 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [1,0,0,0,0,0|3,0,0]=4 2310 B8R0.4 FCCCOCCCF 34a_100000759539_100011934791 [1,0,0,0,0,0|3,0,0]=4 2311 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [1,0,0,0,0,0|3,0,0]=4 2312 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [1,0,0,0,0,0|3,0,0]=4 2313 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [1,0,0,0,0,0|3,0,0]=4 2314 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [1,0,0,0,0,0|3,0,0]=4 2315 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [1,0,0,0,0,0|3,0,0]=4 2316 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 2317 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 2318 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 2319 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 2320 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 2321 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 2322 B8R0.4 N#CCCCNCCO 2230a_100016997473_100000687738 [1,0,0,0,0,0|2,0,1]=4 2323 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [1,0,0,0,0,0|2,0,1]=4 2324 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [1,0,0,0,0,0|2,0,1]=4 2325 B8R0.4 N#CCCSCCCO 62a_100011215043_100011215226 [1,0,0,0,0,0|2,0,1]=4 2326 B8R0.4 N#CCCSCCCO 62a_100011215226_100011215043 [1,0,0,0,0,0|2,0,1]=4 2327 B8R0.4 N#CCNCCCCO 2230a_100000750430_100011215382 [1,0,0,0,0,0|2,0,1]=4 2328 B8R0.4 N#CCSCCCCO 62a_100000210776_100011215382 [1,0,0,0,0,0|2,0,1]=4 2329 B8R0.4 N#CCSCCCCO 62a_100011215382_100000210776 [1,0,0,0,0,0|2,0,1]=4 2330 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,0,0,0,0,0|3,0,0]=4 2331 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|3,0,0]=4 2332 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,0]=3 2333 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [1,0,0,0,0,0|3,0,0]=4 2334 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,0,0,0,0,0|2,0,0]=3 2335 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [1,0,0,0,0,0|3,0,0]=4 2336 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,0,0,0,0,0|2,0,0]=3 2337 B8R0.4 NOCCOCCCO 34a_100000700252_100000230001 [1,0,0,0,0,0|3,0,0]=4 2338 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,0,0,0,0,0|2,0,1]=4 2339 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,0,0,0,0,0|2,0,1]=4 2340 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,0,0,0,0,0|2,0,1]=4 2341 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,0,0,0,0,0|2,0,1]=4 2342 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,1]=4 2343 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,0,0,0,0,0|2,0,1]=4 2344 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,0,0,0,0,0|2,0,1]=4 2345 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,0,0,0,0,0|2,0,0]=3 2346 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,0,0,0,0,0|2,0,0]=3 2347 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,0,0,0,0,0|2,0,0]=3 2348 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [1,0,0,0,0,0|2,0,0]=3 2349 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [1,0,0,0,0,0|2,0,0]=3 2350 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|2,0,0]=3 2351 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,0,0,0,0,0|2,0,0]=3 2352 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,0,0,0,0,0|2,0,0]=3 2353 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,0]=3 2354 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,0,0,0,0,0|2,0,0]=3 2355 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,0,0,0,0,0|2,0,0]=3 2356 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [1,0,0,0,0,0|2,0,0]=3 2357 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [1,0,0,0,0,0|2,0,0]=3 2358 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,0,0,0,0,0|2,0,0]=3 2359 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,0,0,0,0,0|2,0,0]=3 2360 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [1,0,0,0,0,0|2,0,0]=3 2361 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [1,0,0,0,0,0|2,0,0]=3 2362 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,0,0,0,0,0|2,0,0]=3 2363 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,0,0,0,0,0|2,0,0]=3 2364 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,0,0,0,0,0|2,0,0]=3 2365 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [1,0,0,0,0,0|2,0,0]=3 2366 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [1,0,0,0,0,0|2,0,0]=3 2367 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [1,0,0,0,0,0|2,0,0]=3 2368 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [1,0,0,0,0,0|2,0,0]=3 2369 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [1,0,0,0,0,0|2,0,0]=3 2370 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,0,0,0,0,0|2,0,0]=3 2371 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,0,0,0,0,0|2,0,0]=3 2372 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,0,0,0,0,0|2,0,0]=3 2373 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,0,0,0,0,0|2,0,0]=3 2374 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,0,0,0,0,0|2,0,0]=3 2375 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,0,0,0,0,0|2,0,0]=3 2376 B8R0.4 OCCOCCNCF 34a_100000211614_100015361967 [1,0,0,0,0,0|3,0,0]=4 2377 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [1,0,0,0,0,0|3,0,0]=4 2378 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [1,0,0,0,0,0|3,0,0]=4 2379 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [1,0,0,0,0,0|2,0,0]=3 2380 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [1,0,0,0,0,0|2,0,0]=3 2381 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,0,0,0,0|1,0,0]=2 2382 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,0,0,0,0|1,0,0]=2 2383 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,0,0,0,0,0|2,0,0]=3 2384 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,0,0,0,0,0|2,0,0]=3 2385 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,0,0,0,0,0|2,0,0]=3 2386 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,0,0,0,0,0|2,0,0]=3 2387 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,0,0,0,0,0|2,0,0]=3 2388 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,0,0,0,0,0|2,0,0]=3 2389 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,0,0,0,0,0|2,0,0]=3 2390 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [1,0,0,0,0,0|2,0,1]=4 2391 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [1,0,0,0,0,0|2,0,1]=4 2392 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,0,0,0,0,0|1,0,2]=4 2393 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,0,0,0,0,0|1,0,2]=4 2394 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,0,0,0,0,0|2,0,0]=3 2395 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,0,0,0,0,0|2,0,0]=3 2396 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,0,0,0,0|1,0,0]=2 2397 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,0,0,0,0|1,0,0]=2 2398 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,1,0,0,0,0|1,0,2]=4 2399 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,1,0,0,0,0|1,0,2]=4 2400 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [0,1,0,0,0,0|0,0,3]=4 2401 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [0,1,0,0,0,0|0,0,3]=4 2402 B10R0.1 C#CCC(C)OCCCCC 34a_100000685586_100000718602 [0,1,0,0,0,0|2,0,1]=4 2403 B10R0.1 C#CCC(C)OCCCCC 7a_100000685586_100000210326 [0,1,0,0,0,0|2,0,1]=4 2404 B10R0.1 C#CCC(C)OCCCCO 34a_100000685586_100011216708 [0,1,0,0,0,0|1,0,2]=4 2405 B10R0.1 C#CCC(C)OCCCCO 7a_100000685586_100000210776 [0,1,0,0,0,0|1,0,2]=4 2406 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,1,0,0,0,0|1,0,2]=4 2407 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,1,0,0,0,0|1,0,2]=4 2408 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [0,1,0,0,0,0|0,0,3]=4 2409 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [0,1,0,0,0,0|0,0,3]=4 2410 B10R0.1 C#CCCCCN(C)CCC 2230a_100000747261_100010269958 [0,1,0,0,0,0|2,0,1]=4 2411 B10R0.1 C#CCCCCN(C)CCC 269982a_100000747261_100010269958 [0,1,0,0,0,0|2,0,1]=4 2412 B10R0.1 C#CCCCCN(C)CCO 2230a_100000210263_100010269958 [0,1,0,0,0,0|1,0,2]=4 2413 B10R0.1 C#CCCCCN(C)CCO 269982a_100000210263_100010269958 [0,1,0,0,0,0|1,0,2]=4 2414 B10R0.1 C#CCCCNC(C)CCC 2230a_100000741246_100000731252 [0,1,0,0,0,0|2,0,1]=4 2415 B10R0.1 C#CCCCNC(C)CCC 270004a_100000718082_100000211909 [0,1,0,0,0,0|2,0,1]=4 2416 B10R0.1 C#CCCCNC(C)CCC 34a_100000718082_100000766640 [0,1,0,0,0,0|2,0,1]=4 2417 B10R0.1 C#CCCCNC(C)CCO 34a_100000718082_100009893172 [0,1,0,0,0,0|1,0,2]=4 2418 B10R0.1 C#CCCCN[C@H](C)CCO 2230a_100000706166_100000731252 [0,1,0,0,0,0|1,0,2]=4 2419 B10R0.1 C#CCCCN[C@H](C)CCO 34a_100000706166_100000695029 [0,1,0,0,0,0|1,0,2]=4 2420 B10R0.1 C#CCCCOC(C)CCC 34a_100000215630_100000766640 [0,1,0,0,0,0|2,0,1]=4 2421 B10R0.1 C#CCCCOC(C)CCC 34a_100000764384_100000695029 [0,1,0,0,0,0|2,0,1]=4 2422 B10R0.1 C#CCCCOC(C)CCC 7a_100000215630_100000766640 [0,1,0,0,0,0|2,0,1]=4 2423 B10R0.1 C#CCCCOC(C)CCC 7a_100000764384_100011215417 [0,1,0,0,0,0|2,0,1]=4 2424 B10R0.1 C#CCCCOC(C)CCO 34a_100000215630_100009893172 [0,1,0,0,0,0|1,0,2]=4 2425 B10R0.1 C#CCCCOC(C)CCO 7a_100000215630_100009893172 [0,1,0,0,0,0|1,0,2]=4 2426 B10R0.1 C#CCCCSC(C)CCC 62a_100000766640_100011215417 [0,1,0,0,0,0|2,0,1]=4 2427 B10R0.1 C#CCCCSC(C)CCC 62a_100011215417_100000766640 [0,1,0,0,0,0|2,0,1]=4 2428 B10R0.1 C#CCCCSC(C)CCO 62a_100009893172_100011215417 [0,1,0,0,0,0|1,0,2]=4 2429 B10R0.1 C#CCCCSC(C)CCO 62a_100011215417_100009893172 [0,1,0,0,0,0|1,0,2]=4 2430 B10R0.1 C#CCCNCC(C)CCC 34a_100000755551_100011216630 [0,1,0,0,0,0|2,0,1]=4 2431 B10R0.1 C#CCCOCC(C)CCC 34a_100000688023_100000688953 [0,1,0,0,0,0|2,0,1]=4 2432 B10R0.1 C#CCCOCC(C)CCC 34a_100011215631_100011216630 [0,1,0,0,0,0|2,0,1]=4 2433 B10R0.1 C#CCCOCC(C)CCC 7a_100000688023_100000688953 [0,1,0,0,0,0|2,0,1]=4 2434 B10R0.1 C#CCCOC[C@@H](N)CCC 34a_100000732646_100000688953 [0,1,0,0,0,0|2,0,1]=4 2435 B10R0.1 C#CCCSCC(C)CCC 62a_100000688953_100011216630 [0,1,0,0,0,0|2,0,1]=4 2436 B10R0.1 C#CCCSCC(C)CCC 62a_100011216630_100000688953 [0,1,0,0,0,0|2,0,1]=4 2437 B10R0.1 C#CCN(C)CCCCCC 2230a_100000225692_100000210314 [0,1,0,0,0,0|2,0,1]=4 2438 B10R0.1 C#CCN(C)CCCCCC 2230a_106256046315_100000038162 [0,1,0,0,0,0|2,0,1]=4 2439 B10R0.1 C#CCN(C)CCCCCC 34a_100000225692_100000210314 [0,1,0,0,0,0|2,0,1]=4 2440 B10R0.1 C#CCN(C)CCCCCO 2230a_100000225692_100000746330 [0,1,0,0,0,0|1,0,2]=4 2441 B10R0.1 C#CCN(C)CCCCCO 2230a_100000722520_100000038162 [0,1,0,0,0,0|1,0,2]=4 2442 B10R0.1 C#CCN(C)CCCCCO 34a_100000225692_100000746330 [0,1,0,0,0,0|1,0,2]=4 2443 B10R0.1 C#CCOCCC(C)CCC 34a_100011217855_100000184674 [0,1,0,0,0,0|2,0,1]=4 2444 B10R0.1 C#CCOCCC(C)CCC 7a_100011217855_100000038162 [0,1,0,0,0,0|2,0,1]=4 2445 B10R0.1 C#CCOCC[C@@H](N)CCC 34a_100015193777_100000184674 [0,1,0,0,0,0|2,0,1]=4 2446 B10R0.1 C/C=C/C(C)OCCCCO 34a_200102604097_100011216708 [0,1,0,0,0,0|1,0,2]=4 2447 B10R0.1 C/C=C/CCOC(C)CCO 34a_100016278192_100009893172 [0,1,0,0,0,0|1,0,2]=4 2448 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,1,0,0,0,0|1,0,2]=4 2449 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,1,0,0,0,0|1,0,2]=4 2450 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,1,0,0,0,0|0,0,3]=4 2451 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,1,0,0,0,0|0,0,3]=4 2452 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [0,1,0,0,0,0|2,0,1]=4 2453 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [0,1,0,0,0,0|2,0,1]=4 2454 B10R0.1 C=CCC(C)COCCCO 34a_100009832082_100000230001 [0,1,0,0,0,0|1,0,2]=4 2455 B10R0.1 C=CCC(C)COCCCO 7a_100009832082_100011215043 [0,1,0,0,0,0|1,0,2]=4 2456 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,1,0,0,0,0|1,0,2]=4 2457 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,1,0,0,0,0|1,0,2]=4 2458 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,1,0,0,0,0|0,0,3]=4 2459 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,1,0,0,0,0|0,0,3]=4 2460 B10R0.1 C=CCCCCN(C)CCC 2230a_100000747261_100011215482 [0,1,0,0,0,0|2,0,1]=4 2461 B10R0.1 C=CCCCCN(C)CCC 2230a_100012000471_100000210303 [0,1,0,0,0,0|2,0,1]=4 2462 B10R0.1 C=CCCCCN(C)CCC 269982a_100000747261_100011215482 [0,1,0,0,0,0|2,0,1]=4 2463 B10R0.1 C=CCCCCN(C)CCC 269982a_100012000471_100000210303 [0,1,0,0,0,0|2,0,1]=4 2464 B10R0.1 C=CCCCCN(C)CCO 2230a_100000210263_100011215482 [0,1,0,0,0,0|1,0,2]=4 2465 B10R0.1 C=CCCCCN(C)CCO 2230a_100012000471_100000211926 [0,1,0,0,0,0|1,0,2]=4 2466 B10R0.1 C=CCCCCN(C)CCO 269982a_100000210263_100011215482 [0,1,0,0,0,0|1,0,2]=4 2467 B10R0.1 C=CCCCCN(C)CCO 269982a_100012000471_100000211926 [0,1,0,0,0,0|1,0,2]=4 2468 B10R0.1 C=CCCCNC(C)CCC 2230a_100000700776_100000766640 [0,1,0,0,0,0|2,0,1]=4 2469 B10R0.1 C=CCCCNC(C)CCC 2230a_100000741246_100011713584 [0,1,0,0,0,0|2,0,1]=4 2470 B10R0.1 C=CCCCNC(C)CCC 270004a_100000700776_100000211909 [0,1,0,0,0,0|2,0,1]=4 2471 B10R0.1 C=CCCCNC(C)CCC 34a_100000700776_100000766640 [0,1,0,0,0,0|2,0,1]=4 2472 B10R0.1 C=CCCCNC(C)CCO 2230a_100000700776_100009893172 [0,1,0,0,0,0|1,0,2]=4 2473 B10R0.1 C=CCCCNC(C)CCO 34a_100000700776_100009893172 [0,1,0,0,0,0|1,0,2]=4 2474 B10R0.1 C=CCCCN[C@H](C)CCO 2230a_100000706166_100011713584 [0,1,0,0,0,0|1,0,2]=4 2475 B10R0.1 C=CCCCN[C@H](C)CCO 34a_100000706166_100000757094 [0,1,0,0,0,0|1,0,2]=4 2476 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [0,1,0,0,0,0|2,0,1]=4 2477 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [0,1,0,0,0,0|2,0,1]=4 2478 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [0,1,0,0,0,0|2,0,1]=4 2479 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [0,1,0,0,0,0|2,0,1]=4 2480 B10R0.1 C=CCCCOC(C)CCO 34a_100000758997_100009893172 [0,1,0,0,0,0|1,0,2]=4 2481 B10R0.1 C=CCCCOC(C)CCO 7a_100000758997_100009893172 [0,1,0,0,0,0|1,0,2]=4 2482 B10R0.1 C=CCCCSC(C)CCC 62a_100000766640_100000757094 [0,1,0,0,0,0|2,0,1]=4 2483 B10R0.1 C=CCCCSC(C)CCC 62a_100011713584_100000766640 [0,1,0,0,0,0|2,0,1]=4 2484 B10R0.1 C=CCCCSC(C)CCO 62a_100009893172_100000757094 [0,1,0,0,0,0|1,0,2]=4 2485 B10R0.1 C=CCCCSC(C)CCO 62a_100011713584_100009893172 [0,1,0,0,0,0|1,0,2]=4 2486 B10R0.1 C=CCCNCC(C)CCC 2230a_100015191253_100011216630 [0,1,0,0,0,0|2,0,1]=4 2487 B10R0.1 C=CCCNCC(C)CCC 270004a_100015191253_100000243154 [0,1,0,0,0,0|2,0,1]=4 2488 B10R0.1 C=CCCOCC(C)CCC 34a_100000688023_100000754431 [0,1,0,0,0,0|2,0,1]=4 2489 B10R0.1 C=CCCOCC(C)CCC 34a_100011205117_100011216630 [0,1,0,0,0,0|2,0,1]=4 2490 B10R0.1 C=CCCOCC(C)CCC 7a_100000688023_100000754431 [0,1,0,0,0,0|2,0,1]=4 2491 B10R0.1 C=CCCOC[C@@H](N)CCC 34a_100000732646_100000754431 [0,1,0,0,0,0|2,0,1]=4 2492 B10R0.1 C=CCCSCC(C)CCC 62a_100000754431_100011216630 [0,1,0,0,0,0|2,0,1]=4 2493 B10R0.1 C=CCCSCC(C)CCC 62a_100011216630_100000754431 [0,1,0,0,0,0|2,0,1]=4 2494 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [0,1,0,0,0,0|2,0,1]=4 2495 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [0,1,0,0,0,0|2,0,1]=4 2496 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [0,1,0,0,0,0|2,0,1]=4 2497 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [0,1,0,0,0,0|2,0,1]=4 2498 B10R0.1 C=CCN(C)CCCCCO 2230a_100000225617_100000746330 [0,1,0,0,0,0|1,0,2]=4 2499 B10R0.1 C=CCN(C)CCCCCO 2230a_100000722520_100000210623 [0,1,0,0,0,0|1,0,2]=4 2500 B10R0.1 C=CCN(C)CCCCCO 269982a_100000225617_100000746330 [0,1,0,0,0,0|1,0,2]=4 2501 B10R0.1 C=CCN(C)CCCCCO 269982a_100000722520_100000210623 [0,1,0,0,0,0|1,0,2]=4 2502 B10R0.1 C=CCOCCC(C)CCC 34a_100011217855_100015514636 [0,1,0,0,0,0|2,0,1]=4 2503 B10R0.1 C=CCOCCC(C)CCC 7a_100011217855_100015514636 [0,1,0,0,0,0|2,0,1]=4 2504 B10R0.1 C=CCOCC[C@@H](N)CCC 34a_100015193777_100015514636 [0,1,0,0,0,0|2,0,1]=4 2505 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [0,1,0,0,0,0|2,0,1]=4 2506 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [0,1,0,0,0,0|2,0,1]=4 2507 B10R0.1 C=CC[C@@H](C)OCCCCO 34a_100000731007_100011216708 [0,1,0,0,0,0|1,0,2]=4 2508 B10R0.1 C=CC[C@@H](C)OCCCCO 7a_100000731007_100000210776 [0,1,0,0,0,0|1,0,2]=4 2509 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [0,1,0,0,0,0|2,0,1]=4 2510 B10R0.1 C=CC[C@@H](N)COCCCO 34a_100020615467_100000230001 [0,1,0,0,0,0|1,0,2]=4 2511 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,1,0,0,0,0|0,0,3]=4 2512 B10R0.1 CC#CC(C)OCCCCO 34a_100011216543_100011216708 [0,1,0,0,0,0|1,0,2]=4 2513 B10R0.1 CC#CCCOC(C)CCO 34a_100000750427_100009893172 [0,1,0,0,0,0|1,0,2]=4 2514 B10R0.1 CC(CC#N)NCCCCO 2230a_100000750430_100009813641 [0,1,0,0,0,0|2,0,1]=4 2515 B10R0.1 CC(CC#N)SCCCCO 62a_100000210776_100009813641 [0,1,0,0,0,0|2,0,1]=4 2516 B10R0.1 CC(CC#N)SCCCCO 62a_100009813641_100000210776 [0,1,0,0,0,0|2,0,1]=4 2517 B10R0.1 CC(CCBr)OCCCCF 34a_100012276601_100000729493 [0,1,0,0,0,0|3,0,0]=4 2518 B10R0.1 CC(CCBr)OCCCCO 34a_100012276601_100011216708 [0,1,0,0,0,0|2,0,0]=3 2519 B10R0.1 CC(CCN)COCCCF 34a_106354213184_100011934791 [0,1,0,0,0,0|3,0,0]=4 2520 B10R0.1 CC(CCN)COCCCO 34a_106354213184_100000230001 [0,1,0,0,0,0|2,0,0]=3 2521 B10R0.1 CC(CCO)NCCCCO 2230a_100000750430_100009893172 [0,1,0,0,0,0|2,0,0]=3 2522 B10R0.1 CC(CCO)NCCCCO 34a_100000750430_100009893172 [0,1,0,0,0,0|2,0,0]=3 2523 B10R0.1 CC(CCO)OCCCCBr 34a_100011216708_100009893172 [0,1,0,0,0,0|2,0,0]=3 2524 B10R0.1 CC(CCO)OCCCCCl 34a_100000210776_100009893172 [0,1,0,0,0,0|2,0,0]=3 2525 B10R0.1 CC(CCO)OCCCCCl 7a_100000210776_100009893172 [0,1,0,0,0,0|2,0,0]=3 2526 B10R0.1 CC(CCO)OCCCCF 34a_100011995726_100009893172 [0,1,0,0,0,0|2,0,0]=3 2527 B10R0.1 CC(CCO)OCCCCF 7a_100011995726_100009893172 [0,1,0,0,0,0|2,0,0]=3 2528 B10R0.1 CC(CCO)OCCCCI 34a_200012148704_100009893172 [0,1,0,0,0,0|2,0,0]=3 2529 B10R0.1 CC(CCO)OCCCCN 34a_100000750430_100009893172 [0,1,0,0,0,0|2,0,0]=3 2530 B10R0.1 CC(CCO)SCCCC#N 62a_100000687738_100009893172 [0,1,0,0,0,0|2,0,1]=4 2531 B10R0.1 CC(CCO)SCCCC#N 62a_100009893172_100000687738 [0,1,0,0,0,0|2,0,1]=4 2532 B10R0.1 CC(CCO)SCCCC=O 62a_100009893172_200011292268 [0,1,0,0,0,0|2,0,1]=4 2533 B10R0.1 CC(CCO)SCCCC=O 62a_200011292268_100009893172 [0,1,0,0,0,0|2,0,1]=4 2534 B10R0.1 CC(CCO)SCCCCF 62a_100000729493_100009893172 [0,1,0,0,0,0|2,0,0]=3 2535 B10R0.1 CC(CCO)SCCCCF 62a_100009893172_100000729493 [0,1,0,0,0,0|2,0,0]=3 2536 B10R0.1 CC(CCO)SCCCCO 62a_100000210776_100009893172 [0,1,0,0,0,0|2,0,0]=3 2537 B10R0.1 CC(CCO)SCCCCO 62a_100009893172_100000210776 [0,1,0,0,0,0|2,0,0]=3 2538 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,1,0,0,0,0|0,0,3]=4 2539 B10R0.1 CC/C=C\CCN(C)CCO 2230a_100000210263_100015370543 [0,1,0,0,0,0|1,0,2]=4 2540 B10R0.1 CC/C=C\CCN(C)CCO 269982a_100000210263_100015370543 [0,1,0,0,0,0|1,0,2]=4 2541 B10R0.1 CC/C=C\CN[C@H](C)CCO 2230a_100000706166_100103147603 [0,1,0,0,0,0|1,0,2]=4 2542 B10R0.1 CC/C=C\CN[C@H](C)CCO 34a_100000706166_100103147603 [0,1,0,0,0,0|1,0,2]=4 2543 B10R0.1 CC/C=C\COC(C)CCO 34a_100016268518_100009893172 [0,1,0,0,0,0|1,0,2]=4 2544 B10R0.1 CC/C=C\CSC(C)CCO 62a_100009893172_100103147603 [0,1,0,0,0,0|1,0,2]=4 2545 B10R0.1 CC/C=C\CSC(C)CCO 62a_100103147603_100009893172 [0,1,0,0,0,0|1,0,2]=4 2546 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,1,0,0,0,0|0,0,3]=4 2547 B10R0.1 CCC#CCN[C@H](C)CCO 2230a_100000706166_100009813939 [0,1,0,0,0,0|1,0,2]=4 2548 B10R0.1 CCC#CCN[C@H](C)CCO 34a_100000706166_100009813939 [0,1,0,0,0,0|1,0,2]=4 2549 B10R0.1 CCC#CCOC(C)CCO 34a_100000032950_100009893172 [0,1,0,0,0,0|1,0,2]=4 2550 B10R0.1 CCC#CCSC(C)CCO 62a_100009813939_100009893172 [0,1,0,0,0,0|1,0,2]=4 2551 B10R0.1 CCC#CCSC(C)CCO 62a_100009893172_100009813939 [0,1,0,0,0,0|1,0,2]=4 2552 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,1,0,0,0,0|0,0,3]=4 2553 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,1,0,0,0,0|1,0,2]=4 2554 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,1,0,0,0,0|1,0,1]=3 2555 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,1,0,0,0,0|0,0,1]=2 2556 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,1,0,0,0,0|0,0,1]=2 2557 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,1,0,0,0,0|2,0,1]=4 2558 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,1,0,0,0,0|2,0,1]=4 2559 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,1,0,0,0,0|1,0,1]=3 2560 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,1,0,0,0,0|1,0,1]=3 2561 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,1,0,0,0,0|2,0,1]=4 2562 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,1,0,0,0,0|2,0,1]=4 2563 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,1,0,0,0,0|2,0,1]=4 2564 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,1,0,0,0,0|1,0,1]=3 2565 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,1,0,0,0,0|1,0,1]=3 2566 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,1,0,0,0,0|1,0,1]=3 2567 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,1,0,0,0,0|1,0,1]=3 2568 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [0,1,0,0,0,0|2,0,1]=4 2569 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [0,1,0,0,0,0|2,0,1]=4 2570 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [0,1,0,0,0,0|2,0,1]=4 2571 B10R0.1 CCCC(C)C=NNCCO 4a_100000210001_100000243154 [0,1,0,0,0,0|2,0,1]=4 2572 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,1,0,0,0,0|2,0,0]=3 2573 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,1,0,0,0,0|2,0,0]=3 2574 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [0,1,0,0,0,0|2,0,0]=3 2575 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [0,1,0,0,0,0|2,0,0]=3 2576 B10R0.1 CCCC(C)CCOCC#N 7a_100011217855_100011215382 [0,1,0,0,0,0|2,0,1]=4 2577 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [0,1,0,0,0,0|1,0,2]=4 2578 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [0,1,0,0,0,0|1,0,2]=4 2579 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [0,1,0,0,0,0|2,0,0]=3 2580 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [0,1,0,0,0,0|2,0,0]=3 2581 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [0,1,0,0,0,0|1,0,0]=2 2582 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [0,1,0,0,0,0|1,0,0]=2 2583 B10R0.1 CCCC(C)CCOCSC 34a_100011217855_100011218213 [0,1,0,0,0,0|3,0,0]=4 2584 B10R0.1 CCCC(C)CNCCC#N 270004a_100000720768_100000243154 [0,1,0,0,0,0|2,0,1]=4 2585 B10R0.1 CCCC(C)CNCCCF 2230a_100015189416_100011216630 [0,1,0,0,0,0|2,0,0]=3 2586 B10R0.1 CCCC(C)CNCCCF 270004a_100015189416_100000243154 [0,1,0,0,0,0|2,0,0]=3 2587 B10R0.1 CCCC(C)CNCCCF 34a_100015189416_100011216630 [0,1,0,0,0,0|2,0,0]=3 2588 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [0,1,0,0,0,0|1,0,0]=2 2589 B10R0.1 CCCC(C)CNCCOC 2230a_100000209980_100011216630 [0,1,0,0,0,0|3,0,0]=4 2590 B10R0.1 CCCC(C)CNCCOC 270004a_100000209980_100000243154 [0,1,0,0,0,0|3,0,0]=4 2591 B10R0.1 CCCC(C)CNCCSC 2230a_100020590264_100011216630 [0,1,0,0,0,0|3,0,0]=4 2592 B10R0.1 CCCC(C)CNCCSC 270004a_100020590264_100000243154 [0,1,0,0,0,0|3,0,0]=4 2593 B10R0.1 CCCC(C)COCCC#N 7a_100000688023_100000184422 [0,1,0,0,0,0|2,0,1]=4 2594 B10R0.1 CCCC(C)COCCCBr 34a_100011217188_100011216630 [0,1,0,0,0,0|2,0,0]=3 2595 B10R0.1 CCCC(C)COCCCCl 34a_100000230001_100011216630 [0,1,0,0,0,0|2,0,0]=3 2596 B10R0.1 CCCC(C)COCCCF 34a_100000688023_100011934791 [0,1,0,0,0,0|2,0,0]=3 2597 B10R0.1 CCCC(C)COCCCF 34a_100000759539_100011216630 [0,1,0,0,0,0|2,0,0]=3 2598 B10R0.1 CCCC(C)COCCCF 7a_100000688023_100011934791 [0,1,0,0,0,0|2,0,0]=3 2599 B10R0.1 CCCC(C)COCCCN 34a_100000182051_100011216630 [0,1,0,0,0,0|2,0,0]=3 2600 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [0,1,0,0,0,0|1,0,0]=2 2601 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [0,1,0,0,0,0|1,0,0]=2 2602 B10R0.1 CCCC(C)COCCOC 34a_100000210237_100011216630 [0,1,0,0,0,0|3,0,0]=4 2603 B10R0.1 CCCC(C)COCCOC 34a_100000688023_100011201679 [0,1,0,0,0,0|3,0,0]=4 2604 B10R0.1 CCCC(C)COCCOC 7a_100000688023_100000233755 [0,1,0,0,0,0|3,0,0]=4 2605 B10R0.1 CCCC(C)COCCON 34a_100000700252_100011216630 [0,1,0,0,0,0|3,0,0]=4 2606 B10R0.1 CCCC(C)COCCSC 34a_100000230434_100011216630 [0,1,0,0,0,0|3,0,0]=4 2607 B10R0.1 CCCC(C)COCCSC 34a_100000688023_100000212216 [0,1,0,0,0,0|3,0,0]=4 2608 B10R0.1 CCCC(C)COCCSC 7a_100000230434_100011216630 [0,1,0,0,0,0|3,0,0]=4 2609 B10R0.1 CCCC(C)COCCSC 7a_100000688023_100000212216 [0,1,0,0,0,0|3,0,0]=4 2610 B10R0.1 CCCC(C)CSCCC#N 62a_100011215226_100011216630 [0,1,0,0,0,0|2,0,1]=4 2611 B10R0.1 CCCC(C)CSCCC#N 62a_100011216630_100011215226 [0,1,0,0,0,0|2,0,1]=4 2612 B10R0.1 CCCC(C)CSCCCF 62a_100011216630_100011934791 [0,1,0,0,0,0|2,0,0]=3 2613 B10R0.1 CCCC(C)CSCCCF 62a_100011934791_100011216630 [0,1,0,0,0,0|2,0,0]=3 2614 B10R0.1 CCCC(C)CSCCCO 62a_100011215043_100011216630 [0,1,0,0,0,0|1,0,0]=2 2615 B10R0.1 CCCC(C)CSCCCO 62a_100011216630_100011215043 [0,1,0,0,0,0|1,0,0]=2 2616 B10R0.1 CCCC(C)CSCCOC 62a_100000233755_100011216630 [0,1,0,0,0,0|3,0,0]=4 2617 B10R0.1 CCCC(C)CSCCOC 62a_100011216630_100000233755 [0,1,0,0,0,0|3,0,0]=4 2618 B10R0.1 CCCC(C)CSCCSC 62a_100000212216_100011216630 [0,1,0,0,0,0|3,0,0]=4 2619 B10R0.1 CCCC(C)CSCCSC 62a_100011216630_100000751147 [0,1,0,0,0,0|3,0,0]=4 2620 B10R0.1 CCCC(C)CSCOCC 62a_100000739092_100011216630 [0,1,0,0,0,0|3,0,0]=4 2621 B10R0.1 CCCC(C)CSCOCC 62a_100011216630_100000739092 [0,1,0,0,0,0|3,0,0]=4 2622 B10R0.1 CCCC(C)NCC#CCO 2230a_100000741246_200000047223 [0,1,0,0,0,0|1,0,2]=4 2623 B10R0.1 CCCC(C)NCCCC#N 2230a_100000741246_100000687738 [0,1,0,0,0,0|2,0,1]=4 2624 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [0,1,0,0,0,0|1,0,2]=4 2625 B10R0.1 CCCC(C)NCCCCF 2230a_100000741246_100000729493 [0,1,0,0,0,0|2,0,0]=3 2626 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [0,1,0,0,0,0|1,0,0]=2 2627 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [0,1,0,0,0,0|1,0,0]=2 2628 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [0,1,0,0,0,0|1,0,0]=2 2629 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [0,1,0,0,0,0|1,0,0]=2 2630 B10R0.1 CCCC(C)NCCCOC 2230a_100000741246_100000740836 [0,1,0,0,0,0|3,0,0]=4 2631 B10R0.1 CCCC(C)NCCCOC 270004a_100150723488_100000211909 [0,1,0,0,0,0|3,0,0]=4 2632 B10R0.1 CCCC(C)NCCCOC 34a_100150723488_100000766640 [0,1,0,0,0,0|3,0,0]=4 2633 B10R0.1 CCCC(C)NCCCSC 2230a_100000749238_100000766640 [0,1,0,0,0,0|3,0,0]=4 2634 B10R0.1 CCCC(C)NCCCSC 270004a_100000749238_100000211909 [0,1,0,0,0,0|3,0,0]=4 2635 B10R0.1 CCCC(C)NCCOCC 2230a_100000741246_100011215890 [0,1,0,0,0,0|3,0,0]=4 2636 B10R0.1 CCCC(C)NCCOCC 2230a_102516460346_100000766640 [0,1,0,0,0,0|3,0,0]=4 2637 B10R0.1 CCCC(C)NCCOCC 270004a_102516460346_100000211909 [0,1,0,0,0,0|3,0,0]=4 2638 B10R0.1 CCCC(C)NCCOCC 34a_102516460346_100000766640 [0,1,0,0,0,0|3,0,0]=4 2639 B10R0.1 CCCC(C)NCCSCC 2230a_100000106463_100000766640 [0,1,0,0,0,0|3,0,0]=4 2640 B10R0.1 CCCC(C)NCCSCC 2230a_100000741246_100000757381 [0,1,0,0,0,0|3,0,0]=4 2641 B10R0.1 CCCC(C)NCCSCC 270004a_100000106463_100000211909 [0,1,0,0,0,0|3,0,0]=4 2642 B10R0.1 CCCC(C)OCC#CCO 34a_100000764384_200000047223 [0,1,0,0,0,0|1,0,2]=4 2643 B10R0.1 CCCC(C)OCC#CCO 7a_100000764384_200000047223 [0,1,0,0,0,0|1,0,2]=4 2644 B10R0.1 CCCC(C)OCCCC#N 7a_100000764384_100000687738 [0,1,0,0,0,0|2,0,1]=4 2645 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [0,1,0,0,0,0|1,0,2]=4 2646 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [0,1,0,0,0,0|2,0,0]=3 2647 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [0,1,0,0,0,0|2,0,0]=3 2648 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [0,1,0,0,0,0|2,0,0]=3 2649 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [0,1,0,0,0,0|2,0,0]=3 2650 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [0,1,0,0,0,0|2,0,0]=3 2651 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [0,1,0,0,0,0|2,0,0]=3 2652 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [0,1,0,0,0,0|2,0,0]=3 2653 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [0,1,0,0,0,0|2,0,0]=3 2654 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [0,1,0,0,0,0|2,0,0]=3 2655 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [0,1,0,0,0,0|1,0,0]=2 2656 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [0,1,0,0,0,0|1,0,0]=2 2657 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [0,1,0,0,0,0|3,0,0]=4 2658 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [0,1,0,0,0,0|3,0,0]=4 2659 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [0,1,0,0,0,0|3,0,0]=4 2660 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [0,1,0,0,0,0|3,0,0]=4 2661 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [0,1,0,0,0,0|3,0,0]=4 2662 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [0,1,0,0,0,0|3,0,0]=4 2663 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [0,1,0,0,0,0|3,0,0]=4 2664 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [0,1,0,0,0,0|3,0,0]=4 2665 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [0,1,0,0,0,0|3,0,0]=4 2666 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [0,1,0,0,0,0|3,0,0]=4 2667 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [0,1,0,0,0,0|3,0,0]=4 2668 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [0,1,0,0,0,0|3,0,0]=4 2669 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [0,1,0,0,0,0|3,0,0]=4 2670 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [0,1,0,0,0,0|3,0,0]=4 2671 B10R0.1 CCCC(C)SCC#CCO 62a_100000766640_200000047223 [0,1,0,0,0,0|1,0,2]=4 2672 B10R0.1 CCCC(C)SCC#CCO 62a_200000047223_100000766640 [0,1,0,0,0,0|1,0,2]=4 2673 B10R0.1 CCCC(C)SCCCC#N 62a_100000687738_100000766640 [0,1,0,0,0,0|2,0,1]=4 2674 B10R0.1 CCCC(C)SCCCC#N 62a_100000766640_100000687738 [0,1,0,0,0,0|2,0,1]=4 2675 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [0,1,0,0,0,0|1,0,2]=4 2676 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [0,1,0,0,0,0|1,0,2]=4 2677 B10R0.1 CCCC(C)SCCCCF 62a_100000729493_100000766640 [0,1,0,0,0,0|2,0,0]=3 2678 B10R0.1 CCCC(C)SCCCCF 62a_100000766640_100000729493 [0,1,0,0,0,0|2,0,0]=3 2679 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [0,1,0,0,0,0|1,0,0]=2 2680 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [0,1,0,0,0,0|1,0,0]=2 2681 B10R0.1 CCCC(C)SCCCOC 62a_100000709357_100000766640 [0,1,0,0,0,0|3,0,0]=4 2682 B10R0.1 CCCC(C)SCCCOC 62a_100000766640_100000709357 [0,1,0,0,0,0|3,0,0]=4 2683 B10R0.1 CCCC(C)SCCOCC 62a_100000210147_100000766640 [0,1,0,0,0,0|3,0,0]=4 2684 B10R0.1 CCCC(C)SCCOCC 62a_100000766640_100011215890 [0,1,0,0,0,0|3,0,0]=4 2685 B10R0.1 CCCC(C)SCCSCC 62a_100000757381_100000766640 [0,1,0,0,0,0|3,0,0]=4 2686 B10R0.1 CCCC(C)SCCSCC 62a_100000766640_100000757381 [0,1,0,0,0,0|3,0,0]=4 2687 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,1,0,0,0,0|0,0,3]=4 2688 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,1,0,0,0,0|1,0,2]=4 2689 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,1,0,0,0,0|1,0,2]=4 2690 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,1,0,0,0,0|1,0,1]=3 2691 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,1,0,0,0,0|1,0,1]=3 2692 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,1,0,0,0,0|1,0,1]=3 2693 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,1,0,0,0,0|0,0,1]=2 2694 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,1,0,0,0,0|0,0,1]=2 2695 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,1,0,0,0,0|2,0,1]=4 2696 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,1,0,0,0,0|2,0,1]=4 2697 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,1,0,0,0,0|2,0,1]=4 2698 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,1,0,0,0,0|2,0,1]=4 2699 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,1,0,0,0,0|2,0,1]=4 2700 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,1,0,0,0,0|2,0,0]=3 2701 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,1,0,0,0,0|2,0,0]=3 2702 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,1,0,0,0,0|2,0,0]=3 2703 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,1,0,0,0,0|2,0,0]=3 2704 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [0,1,0,0,0,0|2,0,0]=3 2705 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,1,0,0,0,0|2,0,0]=3 2706 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,1,0,0,0,0|2,0,0]=3 2707 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,1,0,0,0,0|2,0,0]=3 2708 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,1,0,0,0,0|2,0,0]=3 2709 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,1,0,0,0,0|2,0,0]=3 2710 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,1,0,0,0,0|2,0,0]=3 2711 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,1,0,0,0,0|2,0,0]=3 2712 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [0,1,0,0,0,0|2,0,0]=3 2713 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [0,1,0,0,0,0|2,0,0]=3 2714 B10R0.1 CCCCCCN(C)CC#N 2230a_100000748184_100000210314 [0,1,0,0,0,0|2,0,1]=4 2715 B10R0.1 CCCCCCN(C)CC#N 2230a_106256046315_100011215382 [0,1,0,0,0,0|2,0,1]=4 2716 B10R0.1 CCCCCCN(C)CC#N 269982a_106256046315_100011214920 [0,1,0,0,0,0|2,0,1]=4 2717 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [0,1,0,0,0,0|1,0,2]=4 2718 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [0,1,0,0,0,0|1,0,2]=4 2719 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,1,0,0,0,0|2,0,0]=3 2720 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,1,0,0,0,0|2,0,0]=3 2721 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,1,0,0,0,0|2,0,0]=3 2722 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,1,0,0,0,0|2,0,0]=3 2723 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [0,1,0,0,0,0|2,0,0]=3 2724 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [0,1,0,0,0,0|2,0,0]=3 2725 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,1,0,0,0,0|1,0,0]=2 2726 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,1,0,0,0,0|1,0,0]=2 2727 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,1,0,0,0,0|1,0,0]=2 2728 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,1,0,0,0,0|1,0,0]=2 2729 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,1,0,0,0,0|3,0,0]=4 2730 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,1,0,0,0,0|3,0,0]=4 2731 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [0,1,0,0,0,0|3,0,0]=4 2732 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [0,1,0,0,0,0|3,0,0]=4 2733 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,1,0,0,0,0|2,0,1]=4 2734 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,1,0,0,0,0|2,0,1]=4 2735 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,1,0,0,0,0|2,0,1]=4 2736 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,1,0,0,0,0|2,0,1]=4 2737 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,1,0,0,0,0|1,0,1]=3 2738 B10R0.1 CCCCCNC(C)CC#N 2230a_100000209983_100009813641 [0,1,0,0,0,0|2,0,1]=4 2739 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,1,0,0,0,0|2,0,0]=3 2740 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,1,0,0,0,0|2,0,0]=3 2741 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,1,0,0,0,0|2,0,0]=3 2742 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [0,1,0,0,0,0|1,0,0]=2 2743 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [0,1,0,0,0,0|3,0,0]=4 2744 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [0,1,0,0,0,0|3,0,0]=4 2745 B10R0.1 CCCCCNC(C)CSC 270004a_100000209983_100011216314 [0,1,0,0,0,0|3,0,0]=4 2746 B10R0.1 CCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210326 [0,1,0,0,0,0|2,0,1]=4 2747 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [0,1,0,0,0,0|1,0,0]=2 2748 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [0,1,0,0,0,0|1,0,0]=2 2749 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [0,1,0,0,0,0|3,0,0]=4 2750 B10R0.1 CCCCCOC(C)CC#N 7a_100000210253_100009813641 [0,1,0,0,0,0|2,0,1]=4 2751 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [0,1,0,0,0,0|2,0,0]=3 2752 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,1,0,0,0,0|2,0,0]=3 2753 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,1,0,0,0,0|2,0,0]=3 2754 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,1,0,0,0,0|2,0,0]=3 2755 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,1,0,0,0,0|2,0,0]=3 2756 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,1,0,0,0,0|1,0,0]=2 2757 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,1,0,0,0,0|1,0,0]=2 2758 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,1,0,0,0,0|3,0,0]=4 2759 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,1,0,0,0,0|3,0,0]=4 2760 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,1,0,0,0,0|3,0,0]=4 2761 B10R0.1 CCCCCSC(C)CC#N 62a_100000210326_100009813641 [0,1,0,0,0,0|2,0,1]=4 2762 B10R0.1 CCCCCSC(C)CC#N 62a_100009813641_100000210326 [0,1,0,0,0,0|2,0,1]=4 2763 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,1,0,0,0,0|2,0,0]=3 2764 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,1,0,0,0,0|2,0,0]=3 2765 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [0,1,0,0,0,0|1,0,0]=2 2766 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [0,1,0,0,0,0|1,0,0]=2 2767 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [0,1,0,0,0,0|3,0,0]=4 2768 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [0,1,0,0,0,0|3,0,0]=4 2769 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,1,0,0,0,0|2,0,1]=4 2770 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,1,0,0,0,0|2,0,1]=4 2771 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,1,0,0,0,0|2,0,1]=4 2772 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,1,0,0,0,0|2,0,1]=4 2773 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [0,1,0,0,0,0|2,0,0]=3 2774 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [0,1,0,0,0,0|2,0,0]=3 2775 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [0,1,0,0,0,0|2,0,0]=3 2776 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [0,1,0,0,0,0|3,0,0]=4 2777 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [0,1,0,0,0,0|3,0,0]=4 2778 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [0,1,0,0,0,0|3,0,0]=4 2779 B10R0.1 CCCCNC[C@@H](O)CC#N 2230a_100000102301_100000001066 [0,1,0,0,0,0|2,0,1]=4 2780 B10R0.1 CCCCNC[C@@H](O)CC#N 7a_106832991798_100000001066 [0,1,0,0,0,0|2,0,1]=4 2781 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,1,0,0,0,0|2,0,1]=4 2782 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,1,0,0,0,0|2,0,1]=4 2783 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,1,0,0,0,0|2,0,1]=4 2784 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,1,0,0,0,0|2,0,1]=4 2785 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,1,0,0,0,0|2,0,1]=4 2786 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,1,0,0,0,0|1,0,1]=3 2787 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,1,0,0,0,0|1,0,1]=3 2788 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,1,0,0,0,0|2,0,1]=4 2789 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,1,0,0,0,0|2,0,1]=4 2790 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,1,0,0,0,0|2,0,0]=3 2791 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,1,0,0,0,0|2,0,0]=3 2792 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,1,0,0,0,0|2,0,0]=3 2793 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,1,0,0,0,0|2,0,0]=3 2794 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [0,1,0,0,0,0|2,0,0]=3 2795 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [0,1,0,0,0,0|3,0,0]=4 2796 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [0,1,0,0,0,0|3,0,0]=4 2797 B10R0.1 CCCCOCC(C)OCF 34a_100011217071_100015361967 [0,1,0,0,0,0|3,0,0]=4 2798 B10R0.1 CCCCOCC(C)OCF 7a_100011217071_100015361967 [0,1,0,0,0,0|3,0,0]=4 2799 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [0,1,0,0,0,0|3,0,0]=4 2800 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [0,1,0,0,0,0|3,0,0]=4 2801 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [0,1,0,0,0,0|3,0,0]=4 2802 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [0,1,0,0,0,0|3,0,0]=4 2803 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [0,1,0,0,0,0|3,0,0]=4 2804 B10R0.1 CCCCOCN(C)CCO 2230a_100000210263_100011995733 [0,1,0,0,0,0|2,0,0]=3 2805 B10R0.1 CCCCOCN(C)CCO 269982a_100000210263_100011995733 [0,1,0,0,0,0|2,0,0]=3 2806 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,1,0,0,0,0|2,0,0]=3 2807 B10R0.1 CCCCOC[C@@H](O)CC#N 7a_100000210227_100000001066 [0,1,0,0,0,0|2,0,1]=4 2808 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,1,0,0,0,0|2,0,1]=4 2809 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,1,0,0,0,0|2,0,1]=4 2810 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,1,0,0,0,0|2,0,1]=4 2811 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,1,0,0,0,0|2,0,1]=4 2812 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,1,0,0,0,0|1,0,1]=3 2813 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,1,0,0,0,0|2,0,1]=4 2814 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,1,0,0,0,0|2,0,1]=4 2815 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [0,1,0,0,0,0|2,0,0]=3 2816 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [0,1,0,0,0,0|2,0,0]=3 2817 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [0,1,0,0,0,0|3,0,0]=4 2818 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [0,1,0,0,0,0|3,0,0]=4 2819 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000001066_100000210210 [0,1,0,0,0,0|2,0,1]=4 2820 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000210211_100000001066 [0,1,0,0,0,0|2,0,1]=4 2821 B10R0.1 CCCN(C)CCCCC#N 2230a_100000747261_100000211819 [0,1,0,0,0,0|2,0,1]=4 2822 B10R0.1 CCCN(C)CCCCC#N 269982a_100000747261_100011219923 [0,1,0,0,0,0|2,0,1]=4 2823 B10R0.1 CCCN(C)CCCCC=O 2230a_100000747261_100000139335 [0,1,0,0,0,0|1,0,2]=4 2824 B10R0.1 CCCN(C)CCCCC=O 269982a_100000747261_100000139335 [0,1,0,0,0,0|1,0,2]=4 2825 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [0,1,0,0,0,0|2,0,0]=3 2826 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [0,1,0,0,0,0|2,0,0]=3 2827 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,1,0,0,0,0|1,0,0]=2 2828 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,1,0,0,0,0|1,0,0]=2 2829 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,1,0,0,0,0|1,0,0]=2 2830 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,1,0,0,0,0|1,0,0]=2 2831 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [0,1,0,0,0,0|3,0,0]=4 2832 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [0,1,0,0,0,0|3,0,0]=4 2833 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [0,1,0,0,0,0|3,0,0]=4 2834 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [0,1,0,0,0,0|3,0,0]=4 2835 B10R0.1 CCCN(C)CCOCCO 2230a_100000228057_100000210303 [0,1,0,0,0,0|2,0,0]=3 2836 B10R0.1 CCCN(C)CCOCCO 2230a_100000747261_100011215305 [0,1,0,0,0,0|2,0,0]=3 2837 B10R0.1 CCCN(C)CCOCCO 269982a_100000228057_100000210303 [0,1,0,0,0,0|2,0,0]=3 2838 B10R0.1 CCCN(C)CCOCCO 269982a_100000747261_100011215305 [0,1,0,0,0,0|2,0,0]=3 2839 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,1,0,0,0,0|2,0,1]=4 2840 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,1,0,0,0,0|1,0,1]=3 2841 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,1,0,0,0,0|2,0,0]=3 2842 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,1,0,0,0,0|2,0,0]=3 2843 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [0,1,0,0,0,0|3,0,0]=4 2844 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [0,1,0,0,0,0|3,0,0]=4 2845 B10R0.1 CCCOCCN(C)CCO 2230a_100000210263_100011215938 [0,1,0,0,0,0|2,0,0]=3 2846 B10R0.1 CCCOCCN(C)CCO 269982a_100000210263_100011215938 [0,1,0,0,0,0|2,0,0]=3 2847 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,1,0,0,0,0|2,0,0]=3 2848 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [0,1,0,0,0,0|1,0,2]=4 2849 B10R0.1 CCC[C@H](N)CCOCCF 34a_100015193777_100011217306 [0,1,0,0,0,0|2,0,0]=3 2850 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [0,1,0,0,0,0|1,0,0]=2 2851 B10R0.1 CCC[C@H](N)CCOCSC 34a_100015193777_100011218213 [0,1,0,0,0,0|3,0,0]=4 2852 B10R0.1 CCC[C@H](N)COCCCF 34a_100000732646_100011934791 [0,1,0,0,0,0|2,0,0]=3 2853 B10R0.1 CCC[C@H](N)COCCCO 34a_100000732646_100000230001 [0,1,0,0,0,0|1,0,0]=2 2854 B10R0.1 CCC[C@H](N)COCCOC 34a_100000732646_100011201679 [0,1,0,0,0,0|3,0,0]=4 2855 B10R0.1 CCC[C@H](N)COCCSC 34a_100000732646_100000212216 [0,1,0,0,0,0|3,0,0]=4 2856 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,1,0,0,0,0|1,0,1]=3 2857 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,1,0,0,0,0|2,0,1]=4 2858 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,1,0,0,0,0|2,0,1]=4 2859 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,1,0,0,0,0|2,0,1]=4 2860 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,1,0,0,0,0|2,0,1]=4 2861 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,1,0,0,0,0|2,0,1]=4 2862 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,1,0,0,0,0|2,0,1]=4 2863 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,1,0,0,0,0|2,0,1]=4 2864 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,1,0,0,0,0|2,0,1]=4 2865 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,1,0,0,0,0|2,0,1]=4 2866 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,1,0,0,0,0|2,0,1]=4 2867 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,1,0,0,0,0|2,0,1]=4 2868 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,1,0,0,0,0|2,0,1]=4 2869 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,1,0,0,0,0|2,0,1]=4 2870 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,1,0,0,0,0|2,0,1]=4 2871 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,1,0,0,0,0|2,0,1]=4 2872 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,1,0,0,0,0|2,0,1]=4 2873 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,1,0,0,0,0|2,0,1]=4 2874 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,1,0,0,0,0|2,0,1]=4 2875 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,1,0,0,0,0|2,0,1]=4 2876 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,1,0,0,0,0|2,0,1]=4 2877 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,1,0,0,0,0|1,0,1]=3 2878 B10R0.1 CCOCCCN(C)CCO 2230a_100000210263_100012232248 [0,1,0,0,0,0|2,0,0]=3 2879 B10R0.1 CCOCCCN(C)CCO 269982a_100000210263_100012232248 [0,1,0,0,0,0|2,0,0]=3 2880 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,1,0,0,0,0|2,0,1]=4 2881 B10R0.1 CCOCCNC(C)CCO 2230a_102516460346_100009893172 [0,1,0,0,0,0|2,0,0]=3 2882 B10R0.1 CCOCCNC(C)CCO 34a_102516460346_100009893172 [0,1,0,0,0,0|2,0,0]=3 2883 B10R0.1 CCOCCN[C@H](C)CCO 2230a_100000706166_100011215890 [0,1,0,0,0,0|2,0,0]=3 2884 B10R0.1 CCOCCN[C@H](C)CCO 34a_100000706166_100000210147 [0,1,0,0,0,0|2,0,0]=3 2885 B10R0.1 CCOCCOC(C)CCBr 34a_100012276601_100000210147 [0,1,0,0,0,0|3,0,0]=4 2886 B10R0.1 CCOCCOC(C)CCO 34a_100000210136_100009893172 [0,1,0,0,0,0|2,0,0]=3 2887 B10R0.1 CCOCCOC(C)CCO 7a_100000210136_100009893172 [0,1,0,0,0,0|2,0,0]=3 2888 B10R0.1 CCOCCSC(C)CCO 62a_100000210147_100009893172 [0,1,0,0,0,0|2,0,0]=3 2889 B10R0.1 CCOCCSC(C)CCO 62a_100009893172_100011215890 [0,1,0,0,0,0|2,0,0]=3 2890 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,1,0,0,0,0|2,0,1]=4 2891 B10R0.1 CCSCCNC(C)CCO 2230a_100000106463_100009893172 [0,1,0,0,0,0|2,0,0]=3 2892 B10R0.1 CCSCCN[C@H](C)CCO 2230a_100000706166_100000757381 [0,1,0,0,0,0|2,0,0]=3 2893 B10R0.1 CCSCCN[C@H](C)CCO 34a_100000706166_100000757381 [0,1,0,0,0,0|2,0,0]=3 2894 B10R0.1 CCSCCOC(C)CCBr 34a_100012276601_100000757381 [0,1,0,0,0,0|3,0,0]=4 2895 B10R0.1 CCSCCOC(C)CCO 34a_100000212035_100009893172 [0,1,0,0,0,0|2,0,0]=3 2896 B10R0.1 CCSCCOC(C)CCO 7a_100000212035_100009893172 [0,1,0,0,0,0|2,0,0]=3 2897 B10R0.1 CCSCCSC(C)CCO 62a_100000757381_100009893172 [0,1,0,0,0,0|2,0,0]=3 2898 B10R0.1 CCSCCSC(C)CCO 62a_100009893172_100000757381 [0,1,0,0,0,0|2,0,0]=3 2899 B10R0.1 CN(CC#N)CCCCCO 2230a_100000722520_100011215382 [0,1,0,0,0,0|2,0,1]=4 2900 B10R0.1 CN(CC#N)CCCCCO 2230a_100000748184_100000746330 [0,1,0,0,0,0|2,0,1]=4 2901 B10R0.1 CN(CC#N)CCCCCO 269982a_100000722520_100011214920 [0,1,0,0,0,0|2,0,1]=4 2902 B10R0.1 CN(CC=O)CCCCCO 2230a_100000722520_200015260668 [0,1,0,0,0,0|2,0,1]=4 2903 B10R0.1 CN(CC=O)CCCCCO 269982a_100000722520_200015260668 [0,1,0,0,0,0|2,0,1]=4 2904 B10R0.1 CN(CCF)CCCCCO 2230a_100000722520_100011217306 [0,1,0,0,0,0|2,0,0]=3 2905 B10R0.1 CN(CCF)CCCCCO 269982a_100000722520_100011217306 [0,1,0,0,0,0|2,0,0]=3 2906 B10R0.1 CN(CCF)CCOCCO 2230a_100000228057_100011217306 [0,1,0,0,0,0|3,0,0]=4 2907 B10R0.1 CN(CCF)CCOCCO 269982a_100000228057_100011217306 [0,1,0,0,0,0|3,0,0]=4 2908 B10R0.1 CN(CCO)CCCCC#N 2230a_100000210263_100000211819 [0,1,0,0,0,0|2,0,1]=4 2909 B10R0.1 CN(CCO)CCCCC#N 269982a_100000210263_100011219923 [0,1,0,0,0,0|2,0,1]=4 2910 B10R0.1 CN(CCO)CCCCC=O 2230a_100000210263_100000139335 [0,1,0,0,0,0|2,0,1]=4 2911 B10R0.1 CN(CCO)CCCCC=O 269982a_100000210263_100000139335 [0,1,0,0,0,0|2,0,1]=4 2912 B10R0.1 CN(CCO)CCCCCF 2230a_100000210263_100000729378 [0,1,0,0,0,0|2,0,0]=3 2913 B10R0.1 CN(CCO)CCCCCF 269982a_100000210263_100000729378 [0,1,0,0,0,0|2,0,0]=3 2914 B10R0.1 CN(CCO)CCCCCO 2230a_100000210263_100000746330 [0,1,0,0,0,0|2,0,0]=3 2915 B10R0.1 CN(CCO)CCCCCO 2230a_100000722520_100000211926 [0,1,0,0,0,0|2,0,0]=3 2916 B10R0.1 CN(CCO)CCCCCO 269982a_100000210263_100000746330 [0,1,0,0,0,0|2,0,0]=3 2917 B10R0.1 CN(CCO)CCCCCO 269982a_100000722520_100000211926 [0,1,0,0,0,0|2,0,0]=3 2918 B10R0.1 CN(CCO)CCOCCO 2230a_100000210263_100011215305 [0,1,0,0,0,0|3,0,0]=4 2919 B10R0.1 CN(CCO)CCOCCO 2230a_100000228057_100000211926 [0,1,0,0,0,0|3,0,0]=4 2920 B10R0.1 CN(CCO)CCOCCO 269982a_100000210263_100011215305 [0,1,0,0,0,0|3,0,0]=4 2921 B10R0.1 CN(CCO)CCOCCO 269982a_100000228057_100000211926 [0,1,0,0,0,0|3,0,0]=4 2922 B10R0.1 CNCCCOC(C)CCO 34a_100000213112_100009893172 [0,1,0,0,0,0|2,0,0]=3 2923 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,1,0,0,0,0|2,0,1]=4 2924 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,1,0,0,0,0|2,0,1]=4 2925 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,1,0,0,0,0|1,0,1]=3 2926 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,1,0,0,0,0|2,0,1]=4 2927 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,1,0,0,0,0|2,0,1]=4 2928 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,1,0,0,0,0|2,0,1]=4 2929 B10R0.1 COCC(C)NCCCCO 2230a_100000750430_100000765312 [0,1,0,0,0,0|2,0,0]=3 2930 B10R0.1 COCC(C)NCCCCO 270004a_100000750430_100000749346 [0,1,0,0,0,0|2,0,0]=3 2931 B10R0.1 COCC(C)NCCCCO 34a_100000750430_100000765312 [0,1,0,0,0,0|2,0,0]=3 2932 B10R0.1 COCC(C)OCCCCBr 34a_100011216708_100000765312 [0,1,0,0,0,0|3,0,0]=4 2933 B10R0.1 COCC(C)OCCCCCl 34a_100000210776_100000765312 [0,1,0,0,0,0|3,0,0]=4 2934 B10R0.1 COCC(C)OCCCCCl 7a_100000210776_100000765312 [0,1,0,0,0,0|3,0,0]=4 2935 B10R0.1 COCC(C)OCCCCF 34a_100011995726_100000765312 [0,1,0,0,0,0|3,0,0]=4 2936 B10R0.1 COCC(C)OCCCCF 7a_100011995726_100000765312 [0,1,0,0,0,0|3,0,0]=4 2937 B10R0.1 COCC(C)OCCCCI 34a_200012148704_100000765312 [0,1,0,0,0,0|3,0,0]=4 2938 B10R0.1 COCC(C)OCCCCN 34a_100000750430_100000765312 [0,1,0,0,0,0|3,0,0]=4 2939 B10R0.1 COCC(C)SCCCCF 62a_100000729493_100000765312 [0,1,0,0,0,0|3,0,0]=4 2940 B10R0.1 COCC(C)SCCCCF 62a_100000765312_100000729493 [0,1,0,0,0,0|3,0,0]=4 2941 B10R0.1 COCC(C)SCCCCO 62a_100000210776_100000765312 [0,1,0,0,0,0|2,0,0]=3 2942 B10R0.1 COCC(C)SCCCCO 62a_100000765312_100000210776 [0,1,0,0,0,0|2,0,0]=3 2943 B10R0.1 COCC(N)COCCCF 34a_100000724102_100011934791 [0,1,0,0,0,0|3,0,0]=4 2944 B10R0.1 COCC(N)COCCCO 34a_100000724102_100000230001 [0,1,0,0,0,0|2,0,0]=3 2945 B10R0.1 COCC(O)CNCCCF 2230a_100000756049_100011934791 [0,1,0,0,0,0|3,0,0]=4 2946 B10R0.1 COCC(O)CNCCCF 34a_100000756049_100011934791 [0,1,0,0,0,0|3,0,0]=4 2947 B10R0.1 COCC(O)CNCCCF 34a_100015189416_100011215053 [0,1,0,0,0,0|3,0,0]=4 2948 B10R0.1 COCC(O)CNCCCO 2230a_100000756049_100000230001 [0,1,0,0,0,0|2,0,0]=3 2949 B10R0.1 COCC(O)CNCCCO 34a_100000756049_100000230001 [0,1,0,0,0,0|2,0,0]=3 2950 B10R0.1 COCC(O)COCCCBr 34a_100011217188_100011215053 [0,1,0,0,0,0|3,0,0]=4 2951 B10R0.1 COCC(O)COCCCCl 34a_100000230001_100011215053 [0,1,0,0,0,0|3,0,0]=4 2952 B10R0.1 COCC(O)COCCCF 34a_100000759539_100011215053 [0,1,0,0,0,0|3,0,0]=4 2953 B10R0.1 COCC(O)COCCCN 34a_100000182051_100011215053 [0,1,0,0,0,0|3,0,0]=4 2954 B10R0.1 COCC(O)CSCCCF 62a_100011215053_100011934791 [0,1,0,0,0,0|3,0,0]=4 2955 B10R0.1 COCC(O)CSCCCF 62a_100011934791_100011215053 [0,1,0,0,0,0|3,0,0]=4 2956 B10R0.1 COCC(O)CSCCCO 62a_100011215043_100011215053 [0,1,0,0,0,0|2,0,0]=3 2957 B10R0.1 COCC(O)CSCCCO 62a_100011215053_100011215043 [0,1,0,0,0,0|2,0,0]=3 2958 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,1,0,0,0,0|1,0,1]=3 2959 B10R0.1 COCCCCN(C)CCO 2230a_100000210263_100000730899 [0,1,0,0,0,0|2,0,0]=3 2960 B10R0.1 COCCCCN(C)CCO 269982a_100000210263_100000730899 [0,1,0,0,0,0|2,0,0]=3 2961 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,1,0,0,0,0|2,0,1]=4 2962 B10R0.1 COCCCNC(C)CCO 34a_100150723488_100009893172 [0,1,0,0,0,0|2,0,0]=3 2963 B10R0.1 COCCCN[C@H](C)CCO 2230a_100000706166_100000740836 [0,1,0,0,0,0|2,0,0]=3 2964 B10R0.1 COCCCN[C@H](C)CCO 34a_100000706166_100000740836 [0,1,0,0,0,0|2,0,0]=3 2965 B10R0.1 COCCCOC(C)CCBr 34a_100012276601_100000740836 [0,1,0,0,0,0|3,0,0]=4 2966 B10R0.1 COCCCOC(C)CCO 34a_100000740835_100009893172 [0,1,0,0,0,0|2,0,0]=3 2967 B10R0.1 COCCCSC(C)CCO 62a_100000709357_100009893172 [0,1,0,0,0,0|2,0,0]=3 2968 B10R0.1 COCCCSC(C)CCO 62a_100009893172_100000709357 [0,1,0,0,0,0|2,0,0]=3 2969 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,1,0,0,0,0|2,0,1]=4 2970 B10R0.1 COCCOCC(C)CCN 34a_106354213184_100011201679 [0,1,0,0,0,0|3,0,0]=4 2971 B10R0.1 COCCOCN(C)CCO 2230a_100000210263_100000231047 [0,1,0,0,0,0|3,0,0]=4 2972 B10R0.1 COCCOCN(C)CCO 269982a_100000210263_100000231047 [0,1,0,0,0,0|3,0,0]=4 2973 B10R0.1 COCN(C)CCCCCO 2230a_100000722520_100000766300 [0,1,0,0,0,0|2,0,0]=3 2974 B10R0.1 COCN(C)CCCCCO 269982a_100000722520_100000766300 [0,1,0,0,0,0|2,0,0]=3 2975 B10R0.1 COCN(C)CCOCCO 2230a_100000228057_100000766300 [0,1,0,0,0,0|3,0,0]=4 2976 B10R0.1 COCN(C)CCOCCO 269982a_100000228057_100000766300 [0,1,0,0,0,0|3,0,0]=4 2977 B10R0.1 COC[C@@H](C)NCCCCF 2230a_100000764878_100000729493 [0,1,0,0,0,0|3,0,0]=4 2978 B10R0.1 COC[C@@H](C)NCCCCO 2230a_100000764878_100000210776 [0,1,0,0,0,0|2,0,0]=3 2979 B10R0.1 COC[C@@H](C)OCCCCF 34a_100011934205_100000729493 [0,1,0,0,0,0|3,0,0]=4 2980 B10R0.1 COC[C@@H](C)OCCCCO 34a_100011934205_100011216708 [0,1,0,0,0,0|2,0,0]=3 2981 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,1,0,0,0,0|2,0,1]=4 2982 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,1,0,0,0,0|1,0,1]=3 2983 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [0,1,0,0,0,0|2,0,1]=4 2984 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,1,0,0,0,0|2,0,1]=4 2985 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,1,0,0,0,0|2,0,1]=4 2986 B10R0.1 CSCC(C)NCCCCO 270004a_100000750430_100011216314 [0,1,0,0,0,0|2,0,0]=3 2987 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,1,0,0,0,0|2,0,1]=4 2988 B10R0.1 CSCCCNC(C)CCO 2230a_100000749238_100009893172 [0,1,0,0,0,0|2,0,0]=3 2989 B10R0.1 CSCCCOC(C)CCO 34a_100000690336_100009893172 [0,1,0,0,0,0|2,0,0]=3 2990 B10R0.1 CSCCCOC(C)CCO 7a_100000690336_100009893172 [0,1,0,0,0,0|2,0,0]=3 2991 B10R0.1 CSCCOCC(C)CCN 34a_106354213184_100000212216 [0,1,0,0,0,0|3,0,0]=4 2992 B10R0.1 CSCN(C)CCCCCO 2230a_100000722520_100011218213 [0,1,0,0,0,0|2,0,0]=3 2993 B10R0.1 CSCN(C)CCCCCO 269982a_100000722520_100011218213 [0,1,0,0,0,0|2,0,0]=3 2994 B10R0.1 CSCN(C)CCOCCO 2230a_100000228057_100011218213 [0,1,0,0,0,0|3,0,0]=4 2995 B10R0.1 CSCN(C)CCOCCO 269982a_100000228057_100011218213 [0,1,0,0,0,0|3,0,0]=4 2996 B10R0.1 C[C@@H](CC#N)NCCCCO 2230a_100016994482_100000210776 [0,1,0,0,0,0|2,0,1]=4 2997 B10R0.1 C[C@H](CCO)NCCCC#N 2230a_100000706166_100000687738 [0,1,0,0,0,0|2,0,1]=4 2998 B10R0.1 C[C@H](CCO)NCCCC=O 2230a_100000706166_200011292268 [0,1,0,0,0,0|2,0,1]=4 2999 B10R0.1 C[C@H](CCO)NCCCCF 2230a_100000706166_100000729493 [0,1,0,0,0,0|2,0,0]=3 3000 B10R0.1 C[C@H](CCO)NCCCCF 34a_100000706166_100000729493 [0,1,0,0,0,0|2,0,0]=3 3001 B10R0.1 C[C@H](CCO)NCCCCO 2230a_100000706166_100000210776 [0,1,0,0,0,0|2,0,0]=3 3002 B10R0.1 C[C@H](CCO)NCCCCO 34a_100000706166_100011216708 [0,1,0,0,0,0|2,0,0]=3 3003 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [0,1,0,0,0,0|1,0,2]=4 3004 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [0,1,0,0,0,0|1,0,2]=4 3005 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [0,1,0,0,0,0|1,0,2]=4 3006 B10R0.1 N#CC[C@H](O)CSCCCO 62a_100000001066_100011215043 [0,1,0,0,0,0|2,0,1]=4 3007 B10R0.1 N#CC[C@H](O)CSCCCO 62a_100011215043_100000001066 [0,1,0,0,0,0|2,0,1]=4 3008 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,1,0,0,0,0|1,0,1]=3 3009 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [0,1,0,0,0,0|2,0,1]=4 3010 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,1,0,0,0,0|1,0,1]=3 3011 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,1,0,0,0,0|1,0,1]=3 3012 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,1,0,0,0,0|1,0,1]=3 3013 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,1,0,0,0,0|2,0,1]=4 3014 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,1,0,0,0,0|2,0,1]=4 3015 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,1,0,0,0,0|2,0,1]=4 3016 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,1,0,0,0,0|1,0,2]=4 3017 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,1,0,0,0,0|1,0,2]=4 3018 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,1,0,0,0,0|1,0,2]=4 3019 B10R0.4 C#CCCCCCCN(C)C 2230a_100102631434_100012276617 [0,1,0,0,0,0|2,0,1]=4 3020 B10R0.4 C#CCCCCCCN(C)C 269982a_100102631434_100012276617 [0,1,0,0,0,0|2,0,1]=4 3021 B10R0.4 C#CCCCCCNC(C)C 2230a_100138425928_100012094781 [0,1,0,0,0,0|2,0,1]=4 3022 B10R0.4 C#CCCCCCNC(C)C 34a_100138425928_100012094781 [0,1,0,0,0,0|2,0,1]=4 3023 B10R0.4 C#CCCCCCOC(C)C 34a_100000212225_100012094781 [0,1,0,0,0,0|2,0,1]=4 3024 B10R0.4 C#CCCCCCOC(C)C 34a_100000766912_100000210206 [0,1,0,0,0,0|2,0,1]=4 3025 B10R0.4 C#CCCCCCOC(C)C 7a_100000766912_100000210206 [0,1,0,0,0,0|2,0,1]=4 3026 B10R0.4 C#CCCCCCSC(C)C 62a_100000210206_100012094781 [0,1,0,0,0,0|2,0,1]=4 3027 B10R0.4 C#CCCCCCSC(C)C 62a_100012094781_100000210206 [0,1,0,0,0,0|2,0,1]=4 3028 B10R0.4 C#CCCCCNCC(C)C 2230a_100000210953_100010269958 [0,1,0,0,0,0|2,0,1]=4 3029 B10R0.4 C#CCCCCNCC(C)C 2230a_100000706060_100000210760 [0,1,0,0,0,0|2,0,1]=4 3030 B10R0.4 C#CCCCCNCC(C)C 34a_100000210953_100010269958 [0,1,0,0,0,0|2,0,1]=4 3031 B10R0.4 C#CCCCCNCC(C)C 34a_100000706060_100000210624 [0,1,0,0,0,0|2,0,1]=4 3032 B10R0.4 C#CCCCCNCC(C)O 2230a_100000210904_100010269958 [0,1,0,0,0,0|1,0,2]=4 3033 B10R0.4 C#CCCCCNCC(C)O 2230a_100000706060_100011218427 [0,1,0,0,0,0|1,0,2]=4 3034 B10R0.4 C#CCCCCNCC(C)O 34a_100000210904_100010269958 [0,1,0,0,0,0|1,0,2]=4 3035 B10R0.4 C#CCCCCNCC(C)O 34a_100000706060_100011218427 [0,1,0,0,0,0|1,0,2]=4 3036 B10R0.4 C#CCCCCNC[C@@H](C)O 2230a_100000706060_100009817552 [0,1,0,0,0,0|1,0,2]=4 3037 B10R0.4 C#CCCCCNC[C@@H](C)O 34a_100000706060_100009817552 [0,1,0,0,0,0|1,0,2]=4 3038 B10R0.4 C#CCCCCOCC(C)Br 34a_100012180447_100010269958 [0,1,0,0,0,0|2,0,1]=4 3039 B10R0.4 C#CCCCCOCC(C)C 34a_100000210257_100010269958 [0,1,0,0,0,0|2,0,1]=4 3040 B10R0.4 C#CCCCCOCC(C)C 34a_100000766709_100000210624 [0,1,0,0,0,0|2,0,1]=4 3041 B10R0.4 C#CCCCCOCC(C)C 7a_100000766709_100000210760 [0,1,0,0,0,0|2,0,1]=4 3042 B10R0.4 C#CCCCCOCC(C)F 34a_100015925927_100010269958 [0,1,0,0,0,0|2,0,1]=4 3043 B10R0.4 C#CCCCCOCC(C)O 34a_100000766709_100011218427 [0,1,0,0,0,0|1,0,2]=4 3044 B10R0.4 C#CCCCCOCC(C)O 7a_100000766709_100011218427 [0,1,0,0,0,0|1,0,2]=4 3045 B10R0.4 C#CCCCCOC[C@@H](C)Cl 34a_100016084084_100010269958 [0,1,0,0,0,0|2,0,1]=4 3046 B10R0.4 C#CCCCCOC[C@@H](C)N 34a_100000737577_100010269958 [0,1,0,0,0,0|2,0,1]=4 3047 B10R0.4 C#CCCCCOC[C@@H](C)O 34a_100000766709_100009817552 [0,1,0,0,0,0|1,0,2]=4 3048 B10R0.4 C#CCCCCOC[C@@H](C)O 7a_100000766709_100009817552 [0,1,0,0,0,0|1,0,2]=4 3049 B10R0.4 C#CCCCCSCC(C)C 62a_100000210624_100010269958 [0,1,0,0,0,0|2,0,1]=4 3050 B10R0.4 C#CCCCCSCC(C)C 62a_100010269958_100000210760 [0,1,0,0,0,0|2,0,1]=4 3051 B10R0.4 C#CCCCCSCC(C)O 62a_100010269958_100011218427 [0,1,0,0,0,0|1,0,2]=4 3052 B10R0.4 C#CCCCCSCC(C)O 62a_100011218427_100010269958 [0,1,0,0,0,0|1,0,2]=4 3053 B10R0.4 C#CCCCCSC[C@@H](C)O 62a_100009817552_100010269958 [0,1,0,0,0,0|1,0,2]=4 3054 B10R0.4 C#CCCCCSC[C@@H](C)O 62a_100010269958_100009817552 [0,1,0,0,0,0|1,0,2]=4 3055 B10R0.4 C#CCCCNCCC(C)C 34a_100000718082_100000210312 [0,1,0,0,0,0|2,0,1]=4 3056 B10R0.4 C#CCCCNCCC(C)O 2230a_200000755665_100000731252 [0,1,0,0,0,0|1,0,2]=4 3057 B10R0.4 C#CCCCNCCC(C)O 34a_100000718082_100012276601 [0,1,0,0,0,0|1,0,2]=4 3058 B10R0.4 C#CCCCOCCC(C)Br 34a_100009893172_100000695029 [0,1,0,0,0,0|2,0,1]=4 3059 B10R0.4 C#CCCCOCCC(C)C 34a_100000210254_100000695029 [0,1,0,0,0,0|2,0,1]=4 3060 B10R0.4 C#CCCCOCCC(C)C 34a_100000215630_100000210312 [0,1,0,0,0,0|2,0,1]=4 3061 B10R0.4 C#CCCCOCCC(C)C 7a_100000210254_100011215417 [0,1,0,0,0,0|2,0,1]=4 3062 B10R0.4 C#CCCCOCCC(C)C 7a_100000215630_100000210626 [0,1,0,0,0,0|2,0,1]=4 3063 B10R0.4 C#CCCCOCCC(C)O 34a_100000215630_100012276601 [0,1,0,0,0,0|1,0,2]=4 3064 B10R0.4 C#CCCCOCCC(C)O 7a_100000215630_100012276601 [0,1,0,0,0,0|1,0,2]=4 3065 B10R0.4 C#CCCCOCC[C@@H](C)N 34a_100000706166_100000695029 [0,1,0,0,0,0|2,0,1]=4 3066 B10R0.4 C#CCCCSCCC(C)C 62a_100000210312_100011215417 [0,1,0,0,0,0|2,0,1]=4 3067 B10R0.4 C#CCCCSCCC(C)C 62a_100011215417_100000210312 [0,1,0,0,0,0|2,0,1]=4 3068 B10R0.4 C#CCCCSCCC(C)O 62a_100011215417_100012276601 [0,1,0,0,0,0|1,0,2]=4 3069 B10R0.4 C#CCCCSCCC(C)O 62a_100012276601_100011215417 [0,1,0,0,0,0|1,0,2]=4 3070 B10R0.4 C#CCCNCCCC(C)C 2230a_200000737386_100000688953 [0,1,0,0,0,0|2,0,1]=4 3071 B10R0.4 C#CCCNCCCC(C)C 34a_100000755551_100011214892 [0,1,0,0,0,0|2,0,1]=4 3072 B10R0.4 C#CCCNCCCC(C)C 34a_200000737386_100000688953 [0,1,0,0,0,0|2,0,1]=4 3073 B10R0.4 C#CCCNCCCC(C)O 34a_100000755551_200000718107 [0,1,0,0,0,0|1,0,2]=4 3074 B10R0.4 C#CCCOCCCC(C)C 34a_100000210774_100000688953 [0,1,0,0,0,0|2,0,1]=4 3075 B10R0.4 C#CCCOCCCC(C)C 34a_100011215631_100011214892 [0,1,0,0,0,0|2,0,1]=4 3076 B10R0.4 C#CCCOCCCC(C)C 7a_100000210774_100000688953 [0,1,0,0,0,0|2,0,1]=4 3077 B10R0.4 C#CCCOCCCC(C)O 34a_100011215631_200000718107 [0,1,0,0,0,0|1,0,2]=4 3078 B10R0.4 C#CCCSCCCC(C)C 62a_100000688953_100011214892 [0,1,0,0,0,0|2,0,1]=4 3079 B10R0.4 C#CCCSCCCC(C)C 62a_100011214892_100000688953 [0,1,0,0,0,0|2,0,1]=4 3080 B10R0.4 C#CCCSCCCC(C)O 62a_100000688953_200000718107 [0,1,0,0,0,0|1,0,2]=4 3081 B10R0.4 C#CCCSCCCC(C)O 62a_200000718107_100000688953 [0,1,0,0,0,0|1,0,2]=4 3082 B10R0.4 C#CCNCCCCC(C)C 34a_100000212058_100011216152 [0,1,0,0,0,0|2,0,1]=4 3083 B10R0.4 C#CCOCCCCC(C)C 34a_100000210247_100011216152 [0,1,0,0,0,0|2,0,1]=4 3084 B10R0.4 C#CCOCCCCC(C)C 34a_100011214890_100000184674 [0,1,0,0,0,0|2,0,1]=4 3085 B10R0.4 C#CCOCCCCC(C)C 7a_100011214890_100000038162 [0,1,0,0,0,0|2,0,1]=4 3086 B10R0.4 C#CCSCCCCC(C)C 62a_100000038162_100011216152 [0,1,0,0,0,0|2,0,1]=4 3087 B10R0.4 C/C=C/CCOCCC(C)O 34a_100016278192_100012276601 [0,1,0,0,0,0|1,0,2]=4 3088 B10R0.4 C/C=C/COCCCC(C)O 34a_100016270725_200000718107 [0,1,0,0,0,0|1,0,2]=4 3089 B10R0.4 C/C=C/CSCCCC(C)O 62a_100102629194_200000718107 [0,1,0,0,0,0|1,0,2]=4 3090 B10R0.4 C/C=C/CSCCCC(C)O 62a_200000718107_100102629194 [0,1,0,0,0,0|1,0,2]=4 3091 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,1,0,0,0,0|2,0,1]=4 3092 B10R0.4 C=C(Br)CCOCCCCO 34a_100009813270_100011216708 [0,1,0,0,0,0|1,0,2]=4 3093 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,1,0,0,0,0|2,0,1]=4 3094 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,1,0,0,0,0|1,0,1]=3 3095 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,1,0,0,0,0|1,0,1]=3 3096 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,1,0,0,0,0|2,0,1]=4 3097 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,1,0,0,0,0|2,0,1]=4 3098 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,1,0,0,0,0|2,0,1]=4 3099 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,1,0,0,0,0|2,0,1]=4 3100 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,1,0,0,0,0|2,0,1]=4 3101 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,1,0,0,0,0|2,0,1]=4 3102 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,1,0,0,0,0|2,0,1]=4 3103 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,1,0,0,0,0|2,0,1]=4 3104 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,1,0,0,0,0|2,0,1]=4 3105 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,1,0,0,0,0|2,0,1]=4 3106 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,1,0,0,0,0|2,0,1]=4 3107 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,1,0,0,0,0|1,0,1]=3 3108 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,1,0,0,0,0|2,0,1]=4 3109 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,1,0,0,0,0|2,0,1]=4 3110 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [0,1,0,0,0,0|2,0,1]=4 3111 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [0,1,0,0,0,0|2,0,1]=4 3112 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,1,0,0,0,0|1,0,1]=3 3113 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,1,0,0,0,0|1,0,1]=3 3114 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,1,0,0,0,0|2,0,1]=4 3115 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,1,0,0,0,0|1,0,1]=3 3116 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,1,0,0,0,0|1,0,1]=3 3117 B10R0.4 C=C(C)CNCCOCCO 2230a_100000211614_100000748629 [0,1,0,0,0,0|2,0,1]=4 3118 B10R0.4 C=C(C)CNCCOCCO 34a_100000211614_100000748629 [0,1,0,0,0,0|2,0,1]=4 3119 B10R0.4 C=C(C)CNCCSCCO 2230a_100011219999_100000748629 [0,1,0,0,0,0|2,0,1]=4 3120 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,1,0,0,0,0|2,0,1]=4 3121 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,1,0,0,0,0|2,0,1]=4 3122 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,1,0,0,0,0|2,0,1]=4 3123 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,1,0,0,0,0|2,0,1]=4 3124 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,1,0,0,0,0|2,0,1]=4 3125 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,1,0,0,0,0|2,0,1]=4 3126 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,1,0,0,0,0|2,0,1]=4 3127 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,1,0,0,0,0|2,0,1]=4 3128 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,1,0,0,0,0|2,0,1]=4 3129 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,1,0,0,0,0|2,0,1]=4 3130 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,1,0,0,0,0|2,0,1]=4 3131 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,1,0,0,0,0|1,0,1]=3 3132 B10R0.4 C=C(C)COCCOCCO 34a_100000210245_100000692535 [0,1,0,0,0,0|2,0,1]=4 3133 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,1,0,0,0,0|2,0,1]=4 3134 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,1,0,0,0,0|2,0,1]=4 3135 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [0,1,0,0,0,0|2,0,1]=4 3136 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [0,1,0,0,0,0|2,0,1]=4 3137 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,1,0,0,0,0|1,0,1]=3 3138 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,1,0,0,0,0|1,0,1]=3 3139 B10R0.4 C=C(C)CSCCOCCO 62a_100000748629_100011215305 [0,1,0,0,0,0|2,0,1]=4 3140 B10R0.4 C=C(C)CSCCOCCO 62a_100011215305_100000211660 [0,1,0,0,0,0|2,0,1]=4 3141 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,1,0,0,0,0|2,0,1]=4 3142 B10R0.4 C=C(F)CNCCCCCO 2230a_100000762737_100009893438 [0,1,0,0,0,0|1,0,2]=4 3143 B10R0.4 C=C(F)CNCCCCCO 34a_100000762737_100009893438 [0,1,0,0,0,0|1,0,2]=4 3144 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,1,0,0,0,0|2,0,1]=4 3145 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,1,0,0,0,0|2,0,1]=4 3146 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,1,0,0,0,0|2,0,1]=4 3147 B10R0.4 C=C(F)COCCCCCO 34a_200010262243_100000746330 [0,1,0,0,0,0|1,0,2]=4 3148 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,1,0,0,0,0|2,0,1]=4 3149 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,1,0,0,0,0|2,0,1]=4 3150 B10R0.4 C=C(F)CSCCCCCO 62a_100000042424_100000746330 [0,1,0,0,0,0|1,0,2]=4 3151 B10R0.4 C=C(F)CSCCCCCO 62a_100000746330_100000042424 [0,1,0,0,0,0|1,0,2]=4 3152 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,1,0,0,0,0|1,0,2]=4 3153 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,1,0,0,0,0|1,0,2]=4 3154 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,1,0,0,0,0|1,0,2]=4 3155 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [0,1,0,0,0,0|2,0,1]=4 3156 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [0,1,0,0,0,0|2,0,1]=4 3157 B10R0.4 C=CCCCCCNC(C)C 2230a_100138425928_100000700193 [0,1,0,0,0,0|2,0,1]=4 3158 B10R0.4 C=CCCCCCNC(C)C 34a_100138425928_100000700193 [0,1,0,0,0,0|2,0,1]=4 3159 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [0,1,0,0,0,0|2,0,1]=4 3160 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [0,1,0,0,0,0|2,0,1]=4 3161 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [0,1,0,0,0,0|2,0,1]=4 3162 B10R0.4 C=CCCCCCSC(C)C 62a_100000210206_100000700193 [0,1,0,0,0,0|2,0,1]=4 3163 B10R0.4 C=CCCCCCSC(C)C 62a_100000700193_100000210206 [0,1,0,0,0,0|2,0,1]=4 3164 B10R0.4 C=CCCCCNCC(C)C 2230a_100000210953_100011215482 [0,1,0,0,0,0|2,0,1]=4 3165 B10R0.4 C=CCCCCNCC(C)C 2230a_100000703577_100000210760 [0,1,0,0,0,0|2,0,1]=4 3166 B10R0.4 C=CCCCCNCC(C)C 270004a_100000703577_100000210432 [0,1,0,0,0,0|2,0,1]=4 3167 B10R0.4 C=CCCCCNCC(C)C 34a_100000210953_100011215482 [0,1,0,0,0,0|2,0,1]=4 3168 B10R0.4 C=CCCCCNCC(C)C 34a_100000703577_100000210624 [0,1,0,0,0,0|2,0,1]=4 3169 B10R0.4 C=CCCCCNCC(C)O 2230a_100000210904_100011215482 [0,1,0,0,0,0|1,0,2]=4 3170 B10R0.4 C=CCCCCNCC(C)O 2230a_100000703577_100011218427 [0,1,0,0,0,0|1,0,2]=4 3171 B10R0.4 C=CCCCCNCC(C)O 34a_100000210904_100011215482 [0,1,0,0,0,0|1,0,2]=4 3172 B10R0.4 C=CCCCCNCC(C)O 34a_100000703577_100011218427 [0,1,0,0,0,0|1,0,2]=4 3173 B10R0.4 C=CCCCCNC[C@@H](C)O 2230a_100000703577_100009817552 [0,1,0,0,0,0|1,0,2]=4 3174 B10R0.4 C=CCCCCNC[C@@H](C)O 34a_100000703577_100009817552 [0,1,0,0,0,0|1,0,2]=4 3175 B10R0.4 C=CCCCCOCC(C)Br 34a_100012180447_100011215482 [0,1,0,0,0,0|2,0,1]=4 3176 B10R0.4 C=CCCCCOCC(C)C 34a_100000210257_100011215482 [0,1,0,0,0,0|2,0,1]=4 3177 B10R0.4 C=CCCCCOCC(C)C 34a_100000766645_100000210624 [0,1,0,0,0,0|2,0,1]=4 3178 B10R0.4 C=CCCCCOCC(C)C 7a_100000766645_100000210760 [0,1,0,0,0,0|2,0,1]=4 3179 B10R0.4 C=CCCCCOCC(C)F 34a_100015925927_100011215482 [0,1,0,0,0,0|2,0,1]=4 3180 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [0,1,0,0,0,0|1,0,2]=4 3181 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [0,1,0,0,0,0|1,0,2]=4 3182 B10R0.4 C=CCCCCOC[C@@H](C)Cl 34a_100016084084_100011215482 [0,1,0,0,0,0|2,0,1]=4 3183 B10R0.4 C=CCCCCOC[C@@H](C)N 34a_100000737577_100011215482 [0,1,0,0,0,0|2,0,1]=4 3184 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [0,1,0,0,0,0|1,0,2]=4 3185 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [0,1,0,0,0,0|1,0,2]=4 3186 B10R0.4 C=CCCCCSCC(C)C 62a_100000210624_100011215482 [0,1,0,0,0,0|2,0,1]=4 3187 B10R0.4 C=CCCCCSCC(C)C 62a_100011215482_100000210760 [0,1,0,0,0,0|2,0,1]=4 3188 B10R0.4 C=CCCCCSCC(C)O 62a_100011215482_100011218427 [0,1,0,0,0,0|1,0,2]=4 3189 B10R0.4 C=CCCCCSCC(C)O 62a_100011218427_100011215482 [0,1,0,0,0,0|1,0,2]=4 3190 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100009817552_100011215482 [0,1,0,0,0,0|1,0,2]=4 3191 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100011215482_100009817552 [0,1,0,0,0,0|1,0,2]=4 3192 B10R0.4 C=CCCCNCCC(C)C 2230a_100000700776_100000210312 [0,1,0,0,0,0|2,0,1]=4 3193 B10R0.4 C=CCCCNCCC(C)C 269862a_100000700776_100000185833 [0,1,0,0,0,0|2,0,1]=4 3194 B10R0.4 C=CCCCNCCC(C)C 34a_100000700776_100000210312 [0,1,0,0,0,0|2,0,1]=4 3195 B10R0.4 C=CCCCNCCC(C)O 2230a_100000700776_100012276601 [0,1,0,0,0,0|1,0,2]=4 3196 B10R0.4 C=CCCCNCCC(C)O 2230a_200000755665_100011713584 [0,1,0,0,0,0|1,0,2]=4 3197 B10R0.4 C=CCCCNCCC(C)O 34a_100000700776_100012276601 [0,1,0,0,0,0|1,0,2]=4 3198 B10R0.4 C=CCCCOCCC(C)Br 34a_100009893172_100000757094 [0,1,0,0,0,0|2,0,1]=4 3199 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [0,1,0,0,0,0|2,0,1]=4 3200 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [0,1,0,0,0,0|2,0,1]=4 3201 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [0,1,0,0,0,0|2,0,1]=4 3202 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [0,1,0,0,0,0|2,0,1]=4 3203 B10R0.4 C=CCCCOCCC(C)O 34a_100000758997_100012276601 [0,1,0,0,0,0|1,0,2]=4 3204 B10R0.4 C=CCCCOCCC(C)O 7a_100000758997_100012276601 [0,1,0,0,0,0|1,0,2]=4 3205 B10R0.4 C=CCCCOCC[C@@H](C)N 34a_100000706166_100000757094 [0,1,0,0,0,0|2,0,1]=4 3206 B10R0.4 C=CCCCSCCC(C)C 62a_100000210312_100000757094 [0,1,0,0,0,0|2,0,1]=4 3207 B10R0.4 C=CCCCSCCC(C)C 62a_100011713584_100000210312 [0,1,0,0,0,0|2,0,1]=4 3208 B10R0.4 C=CCCCSCCC(C)O 62a_100011713584_100012276601 [0,1,0,0,0,0|1,0,2]=4 3209 B10R0.4 C=CCCCSCCC(C)O 62a_100012276601_100000757094 [0,1,0,0,0,0|1,0,2]=4 3210 B10R0.4 C=CCCNCCCC(C)C 2230a_100015191253_100011214892 [0,1,0,0,0,0|2,0,1]=4 3211 B10R0.4 C=CCCNCCCC(C)C 2230a_200000737386_100000754431 [0,1,0,0,0,0|2,0,1]=4 3212 B10R0.4 C=CCCNCCCC(C)C 34a_200000737386_100000754431 [0,1,0,0,0,0|2,0,1]=4 3213 B10R0.4 C=CCCNCCCC(C)O 2230a_100015191253_200000718107 [0,1,0,0,0,0|1,0,2]=4 3214 B10R0.4 C=CCCOCCCC(C)C 34a_100000210774_100000754431 [0,1,0,0,0,0|2,0,1]=4 3215 B10R0.4 C=CCCOCCCC(C)C 34a_100011205117_100011214892 [0,1,0,0,0,0|2,0,1]=4 3216 B10R0.4 C=CCCOCCCC(C)C 7a_100000210774_100000754431 [0,1,0,0,0,0|2,0,1]=4 3217 B10R0.4 C=CCCOCCCC(C)O 34a_100011205117_200000718107 [0,1,0,0,0,0|1,0,2]=4 3218 B10R0.4 C=CCCSCCCC(C)C 62a_100000754431_100011214892 [0,1,0,0,0,0|2,0,1]=4 3219 B10R0.4 C=CCCSCCCC(C)C 62a_100011214892_100000754431 [0,1,0,0,0,0|2,0,1]=4 3220 B10R0.4 C=CCCSCCCC(C)O 62a_100000754431_200000718107 [0,1,0,0,0,0|1,0,2]=4 3221 B10R0.4 C=CCCSCCCC(C)O 62a_200000718107_100000754431 [0,1,0,0,0,0|1,0,2]=4 3222 B10R0.4 C=CCNCCCCC(C)C 2230a_100020586998_100011216152 [0,1,0,0,0,0|2,0,1]=4 3223 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [0,1,0,0,0,0|2,0,1]=4 3224 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [0,1,0,0,0,0|2,0,1]=4 3225 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [0,1,0,0,0,0|2,0,1]=4 3226 B10R0.4 C=CCSCCCCC(C)C 62a_100000210623_100011216152 [0,1,0,0,0,0|2,0,1]=4 3227 B10R0.4 C=CCSCCCCC(C)C 62a_100011216152_100000210623 [0,1,0,0,0,0|2,0,1]=4 3228 B10R0.4 CC#CCCOCCC(C)O 34a_100000750427_100012276601 [0,1,0,0,0,0|1,0,2]=4 3229 B10R0.4 CC#CCNCCCC(C)O 2230a_100000685387_200000718107 [0,1,0,0,0,0|1,0,2]=4 3230 B10R0.4 CC#CCNCCCC(C)O 34a_100000685387_200000718107 [0,1,0,0,0,0|1,0,2]=4 3231 B10R0.4 CC#CCOCCCC(C)O 34a_100000761923_200000718107 [0,1,0,0,0,0|1,0,2]=4 3232 B10R0.4 CC#CCSCCCC(C)O 62a_100000748600_200000718107 [0,1,0,0,0,0|1,0,2]=4 3233 B10R0.4 CC#CCSCCCC(C)O 62a_200000718107_100000748600 [0,1,0,0,0,0|1,0,2]=4 3234 B10R0.4 CC(=CCCSCCCO)C 62a_100011215043_100011217483 [0,1,0,0,0,0|1,0,2]=4 3235 B10R0.4 CC(=CCCSCCCO)C 62a_100011217483_100011215043 [0,1,0,0,0,0|1,0,2]=4 3236 B10R0.4 CC(=CCNCCCCO)C 2230a_100000750430_100000761012 [0,1,0,0,0,0|1,0,2]=4 3237 B10R0.4 CC(=CCNCCCCO)C 34a_100000718196_100011216708 [0,1,0,0,0,0|1,0,2]=4 3238 B10R0.4 CC(=CCNCCCCO)C 34a_100000750430_100000761012 [0,1,0,0,0,0|1,0,2]=4 3239 B10R0.4 CC(=CCOCCCCO)C 34a_100000753907_100011216708 [0,1,0,0,0,0|1,0,2]=4 3240 B10R0.4 CC(=CCSCCCCO)C 62a_100000210776_100000761012 [0,1,0,0,0,0|1,0,2]=4 3241 B10R0.4 CC(=CCSCCCCO)C 62a_100000761012_100000210776 [0,1,0,0,0,0|1,0,2]=4 3242 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,1,0,0,0,0|1,0,2]=4 3243 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,0,0,0,0|0,0,1]=2 3244 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,0,0,0,0|0,0,1]=2 3245 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,1,0,0,0,0|2,0,1]=4 3246 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,1,0,0,0,0|1,0,1]=3 3247 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,1,0,0,0,0|2,0,1]=4 3248 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,1,0,0,0,0|2,0,1]=4 3249 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,1,0,0,0,0|2,0,1]=4 3250 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,1,0,0,0,0|2,0,1]=4 3251 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,1,0,0,0,0|1,0,1]=3 3252 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,1,0,0,0,0|1,0,1]=3 3253 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,1,0,0,0,0|2,0,1]=4 3254 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,1,0,0,0,0|2,0,1]=4 3255 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,1,0,0,0,0|2,0,1]=4 3256 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,1,0,0,0,0|2,0,1]=4 3257 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,1,0,0,0,0|2,0,1]=4 3258 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,1,0,0,0,0|2,0,1]=4 3259 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,1,0,0,0,0|2,0,1]=4 3260 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,1,0,0,0,0|1,0,1]=3 3261 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,1,0,0,0,0|1,0,1]=3 3262 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,1,0,0,0,0|2,0,1]=4 3263 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,1,0,0,0,0|2,0,1]=4 3264 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,1,0,0,0,0|1,0,1]=3 3265 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,1,0,0,0,0|1,0,1]=3 3266 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,1,0,0,0,0|2,0,1]=4 3267 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,1,0,0,0,0|2,0,1]=4 3268 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,1,0,0,0,0|2,0,1]=4 3269 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,1,0,0,0,0|2,0,1]=4 3270 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,1,0,0,0,0|1,0,1]=3 3271 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,1,0,0,0,0|1,0,1]=3 3272 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,1,0,0,0,0|2,0,1]=4 3273 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,1,0,0,0,0|2,0,1]=4 3274 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,1,0,0,0,0|1,0,1]=3 3275 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,1,0,0,0,0|1,0,1]=3 3276 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,1,0,0,0,0|2,0,1]=4 3277 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,1,0,0,0,0|1,0,1]=3 3278 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,1,0,0,0,0|2,0,1]=4 3279 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,1,0,0,0,0|2,0,1]=4 3280 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,1,0,0,0,0|1,0,1]=3 3281 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,1,0,0,0,0|1,0,1]=3 3282 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,1,0,0,0,0|2,0,1]=4 3283 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,1,0,0,0,0|2,0,1]=4 3284 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,1,0,0,0,0|2,0,1]=4 3285 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,1,0,0,0,0|2,0,1]=4 3286 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,1,0,0,0,0|2,0,1]=4 3287 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,1,0,0,0,0|2,0,1]=4 3288 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,1,0,0,0,0|2,0,1]=4 3289 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,1,0,0,0,0|2,0,1]=4 3290 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,1,0,0,0,0|2,0,1]=4 3291 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,1,0,0,0,0|2,0,1]=4 3292 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,1,0,0,0,0|2,0,1]=4 3293 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,1,0,0,0,0|2,0,1]=4 3294 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,1,0,0,0,0|2,0,1]=4 3295 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,1,0,0,0,0|2,0,1]=4 3296 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,1,0,0,0,0|2,0,1]=4 3297 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,1,0,0,0,0|2,0,1]=4 3298 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,1,0,0,0,0|2,0,1]=4 3299 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,1,0,0,0,0|2,0,1]=4 3300 B10R0.4 CC(=S)OCCCNCCO 2230a_100016997473_200135323944 [0,1,0,0,0,0|2,0,1]=4 3301 B10R0.4 CC(=S)OCCCNCCO 34a_100016990907_200135323944 [0,1,0,0,0,0|2,0,1]=4 3302 B10R0.4 CC(=S)OCCCSCCO 62a_100000211926_200135323944 [0,1,0,0,0,0|2,0,1]=4 3303 B10R0.4 CC(=S)OCCCSCCO 62a_200135323944_100000211926 [0,1,0,0,0,0|2,0,1]=4 3304 B10R0.4 CC(Br)CCOCC#CCO 34a_100009893172_200000047223 [0,1,0,0,0,0|1,0,2]=4 3305 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [0,1,0,0,0,0|2,0,0]=3 3306 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [0,1,0,0,0,0|1,0,0]=2 3307 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [0,1,0,0,0,0|2,0,0]=3 3308 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [0,1,0,0,0,0|1,0,0]=2 3309 B10R0.4 CC(Br)COCCOCCO 34a_100012180447_100000692535 [0,1,0,0,0,0|2,0,0]=3 3310 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [0,1,0,0,0,0|2,0,0]=3 3311 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [0,1,0,0,0,0|2,0,0]=3 3312 B10R0.4 CC(C)CCCCCNCF 34a_100011290863_100015361967 [0,1,0,0,0,0|2,0,0]=3 3313 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [0,1,0,0,0,0|2,0,0]=3 3314 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [0,1,0,0,0,0|2,0,0]=3 3315 B10R0.4 CC(C)CCCCCSCF 62a_100000210682_100015361967 [0,1,0,0,0,0|2,0,0]=3 3316 B10R0.4 CC(C)CCCCCSCF 62a_100015361967_100000210682 [0,1,0,0,0,0|2,0,0]=3 3317 B10R0.4 CC(C)CCCCNCCF 34a_100000724931_100011216152 [0,1,0,0,0,0|2,0,0]=3 3318 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [0,1,0,0,0,0|1,0,0]=2 3319 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [0,1,0,0,0,0|1,0,0]=2 3320 B10R0.4 CC(C)CCCCOCC#N 7a_100011214890_100011215382 [0,1,0,0,0,0|2,0,1]=4 3321 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [0,1,0,0,0,0|1,0,2]=4 3322 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [0,1,0,0,0,0|1,0,2]=4 3323 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [0,1,0,0,0,0|2,0,0]=3 3324 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [0,1,0,0,0,0|2,0,0]=3 3325 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [0,1,0,0,0,0|2,0,0]=3 3326 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [0,1,0,0,0,0|2,0,0]=3 3327 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [0,1,0,0,0,0|1,0,0]=2 3328 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [0,1,0,0,0,0|1,0,0]=2 3329 B10R0.4 CC(C)CCCCSCC#N 62a_100011215382_100011216152 [0,1,0,0,0,0|2,0,1]=4 3330 B10R0.4 CC(C)CCCCSCC#N 62a_100011216152_100011215382 [0,1,0,0,0,0|2,0,1]=4 3331 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [0,1,0,0,0,0|1,0,2]=4 3332 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [0,1,0,0,0,0|1,0,2]=4 3333 B10R0.4 CC(C)CCCCSCCF 62a_100011216152_100011217306 [0,1,0,0,0,0|2,0,0]=3 3334 B10R0.4 CC(C)CCCCSCCF 62a_100011217306_100011216152 [0,1,0,0,0,0|2,0,0]=3 3335 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [0,1,0,0,0,0|1,0,0]=2 3336 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [0,1,0,0,0,0|1,0,0]=2 3337 B10R0.4 CC(C)CCCNCCC#N 2230a_200000737386_100011215226 [0,1,0,0,0,0|2,0,1]=4 3338 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [0,1,0,0,0,0|2,0,0]=3 3339 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [0,1,0,0,0,0|2,0,0]=3 3340 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [0,1,0,0,0,0|2,0,0]=3 3341 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [0,1,0,0,0,0|2,0,0]=3 3342 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [0,1,0,0,0,0|1,0,0]=2 3343 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [0,1,0,0,0,0|1,0,0]=2 3344 B10R0.4 CC(C)CCCOCCC#N 7a_100000210774_100000184422 [0,1,0,0,0,0|2,0,1]=4 3345 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [0,1,0,0,0,0|2,0,0]=3 3346 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [0,1,0,0,0,0|2,0,0]=3 3347 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [0,1,0,0,0,0|2,0,0]=3 3348 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [0,1,0,0,0,0|2,0,0]=3 3349 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [0,1,0,0,0,0|2,0,0]=3 3350 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [0,1,0,0,0,0|2,0,0]=3 3351 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [0,1,0,0,0,0|1,0,0]=2 3352 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [0,1,0,0,0,0|1,0,0]=2 3353 B10R0.4 CC(C)CCCOCCON 34a_100000700252_100011214892 [0,1,0,0,0,0|3,0,0]=4 3354 B10R0.4 CC(C)CCCSCCC#N 62a_100011214892_100011215226 [0,1,0,0,0,0|2,0,1]=4 3355 B10R0.4 CC(C)CCCSCCC#N 62a_100011215226_100011214892 [0,1,0,0,0,0|2,0,1]=4 3356 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [0,1,0,0,0,0|2,0,0]=3 3357 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [0,1,0,0,0,0|2,0,0]=3 3358 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [0,1,0,0,0,0|1,0,0]=2 3359 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [0,1,0,0,0,0|1,0,0]=2 3360 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [0,1,0,0,0,0|1,0,0]=2 3361 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [0,1,0,0,0,0|1,0,0]=2 3362 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [0,1,0,0,0,0|1,0,0]=2 3363 B10R0.4 CC(C)CCOCC#CCO 34a_100000210254_200000047223 [0,1,0,0,0,0|1,0,2]=4 3364 B10R0.4 CC(C)CCOCC#CCO 7a_100000210254_200000047223 [0,1,0,0,0,0|1,0,2]=4 3365 B10R0.4 CC(C)CCOCCCC#N 7a_100000210254_100000687738 [0,1,0,0,0,0|2,0,1]=4 3366 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [0,1,0,0,0,0|1,0,2]=4 3367 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [0,1,0,0,0,0|2,0,0]=3 3368 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [0,1,0,0,0,0|2,0,0]=3 3369 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [0,1,0,0,0,0|2,0,0]=3 3370 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [0,1,0,0,0,0|2,0,0]=3 3371 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [0,1,0,0,0,0|2,0,0]=3 3372 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [0,1,0,0,0,0|2,0,0]=3 3373 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [0,1,0,0,0,0|2,0,0]=3 3374 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [0,1,0,0,0,0|2,0,0]=3 3375 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [0,1,0,0,0,0|2,0,0]=3 3376 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [0,1,0,0,0,0|1,0,0]=2 3377 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [0,1,0,0,0,0|1,0,0]=2 3378 B10R0.4 CC(C)CCSCC#CCO 62a_100000210312_200000047223 [0,1,0,0,0,0|1,0,2]=4 3379 B10R0.4 CC(C)CCSCC#CCO 62a_200000047223_100000210312 [0,1,0,0,0,0|1,0,2]=4 3380 B10R0.4 CC(C)CCSCCCC#N 62a_100000210312_100000687738 [0,1,0,0,0,0|2,0,1]=4 3381 B10R0.4 CC(C)CCSCCCC#N 62a_100000687738_100000210312 [0,1,0,0,0,0|2,0,1]=4 3382 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [0,1,0,0,0,0|1,0,2]=4 3383 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [0,1,0,0,0,0|1,0,2]=4 3384 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [0,1,0,0,0,0|2,0,0]=3 3385 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [0,1,0,0,0,0|2,0,0]=3 3386 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [0,1,0,0,0,0|1,0,0]=2 3387 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [0,1,0,0,0,0|1,0,0]=2 3388 B10R0.4 CC(C)CNCCCCC#N 2230a_100000210953_100000211819 [0,1,0,0,0,0|2,0,1]=4 3389 B10R0.4 CC(C)CNCCCCC#N 270004a_100000751965_100000210432 [0,1,0,0,0,0|2,0,1]=4 3390 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [0,1,0,0,0,0|1,0,2]=4 3391 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [0,1,0,0,0,0|2,0,0]=3 3392 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [0,1,0,0,0,0|2,0,0]=3 3393 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [0,1,0,0,0,0|1,0,0]=2 3394 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [0,1,0,0,0,0|1,0,0]=2 3395 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [0,1,0,0,0,0|1,0,0]=2 3396 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [0,1,0,0,0,0|1,0,0]=2 3397 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [0,1,0,0,0,0|1,0,0]=2 3398 B10R0.4 CC(C)CNCCOCCF 34a_100015185251_100011217306 [0,1,0,0,0,0|3,0,0]=4 3399 B10R0.4 CC(C)CNCCOCCO 2230a_100000210953_100011215305 [0,1,0,0,0,0|2,0,0]=3 3400 B10R0.4 CC(C)CNCCOCCO 2230a_100000211614_100000210760 [0,1,0,0,0,0|2,0,0]=3 3401 B10R0.4 CC(C)CNCCOCCO 270004a_100000211614_100000210432 [0,1,0,0,0,0|2,0,0]=3 3402 B10R0.4 CC(C)CNCCOCCO 34a_100000210953_100000692535 [0,1,0,0,0,0|2,0,0]=3 3403 B10R0.4 CC(C)CNCCOCCO 34a_100000211614_100000210624 [0,1,0,0,0,0|2,0,0]=3 3404 B10R0.4 CC(C)CNCCOCCO 34a_100015185251_100000211926 [0,1,0,0,0,0|2,0,0]=3 3405 B10R0.4 CC(C)CNCCSCCO 2230a_100011219999_100000210760 [0,1,0,0,0,0|2,0,0]=3 3406 B10R0.4 CC(C)CNCCSCCO 270004a_100011219999_100000210432 [0,1,0,0,0,0|2,0,0]=3 3407 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [0,1,0,0,0,0|2,0,0]=3 3408 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [0,1,0,0,0,0|2,0,0]=3 3409 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [0,1,0,0,0,0|2,0,0]=3 3410 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [0,1,0,0,0,0|2,0,0]=3 3411 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [0,1,0,0,0,0|2,0,0]=3 3412 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [0,1,0,0,0,0|2,0,0]=3 3413 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [0,1,0,0,0,0|2,0,0]=3 3414 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [0,1,0,0,0,0|2,0,0]=3 3415 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [0,1,0,0,0,0|1,0,0]=2 3416 B10R0.4 CC(C)COCCCNCF 34a_100000205972_100015361967 [0,1,0,0,0,0|3,0,0]=4 3417 B10R0.4 CC(C)COCCOCCBr 34a_100000692535_100000210624 [0,1,0,0,0,0|3,0,0]=4 3418 B10R0.4 CC(C)COCCOCCBr 7a_100000692535_100000210760 [0,1,0,0,0,0|3,0,0]=4 3419 B10R0.4 CC(C)COCCOCCCl 34a_100011215305_100000210624 [0,1,0,0,0,0|3,0,0]=4 3420 B10R0.4 CC(C)COCCOCCCl 7a_100011215305_100000210760 [0,1,0,0,0,0|3,0,0]=4 3421 B10R0.4 CC(C)COCCOCCF 34a_100000703358_100011217306 [0,1,0,0,0,0|3,0,0]=4 3422 B10R0.4 CC(C)COCCOCCF 34a_200015357709_100000210624 [0,1,0,0,0,0|3,0,0]=4 3423 B10R0.4 CC(C)COCCOCCF 7a_100000703358_100011217306 [0,1,0,0,0,0|3,0,0]=4 3424 B10R0.4 CC(C)COCCOCCF 7a_200015357709_100000210760 [0,1,0,0,0,0|3,0,0]=4 3425 B10R0.4 CC(C)COCCOCCI 34a_100012149058_100000210624 [0,1,0,0,0,0|3,0,0]=4 3426 B10R0.4 CC(C)COCCOCCI 7a_100012149058_100000210760 [0,1,0,0,0,0|3,0,0]=4 3427 B10R0.4 CC(C)COCCOCCN 34a_100000211614_100000210624 [0,1,0,0,0,0|3,0,0]=4 3428 B10R0.4 CC(C)COCCOCCO 34a_100000210257_100000692535 [0,1,0,0,0,0|2,0,0]=3 3429 B10R0.4 CC(C)COCCOCCO 34a_100000703358_100000211926 [0,1,0,0,0,0|2,0,0]=3 3430 B10R0.4 CC(C)COCCOCCO 7a_100000703358_100000211926 [0,1,0,0,0,0|2,0,0]=3 3431 B10R0.4 CC(C)CSCCCCC#N 62a_100000210624_100000211819 [0,1,0,0,0,0|2,0,1]=4 3432 B10R0.4 CC(C)CSCCCCC#N 62a_100011219923_100000210760 [0,1,0,0,0,0|2,0,1]=4 3433 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [0,1,0,0,0,0|1,0,2]=4 3434 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [0,1,0,0,0,0|1,0,2]=4 3435 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [0,1,0,0,0,0|2,0,0]=3 3436 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [0,1,0,0,0,0|2,0,0]=3 3437 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [0,1,0,0,0,0|1,0,0]=2 3438 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [0,1,0,0,0,0|1,0,0]=2 3439 B10R0.4 CC(C)CSCCOCCF 34a_200000230437_100011217306 [0,1,0,0,0,0|3,0,0]=4 3440 B10R0.4 CC(C)CSCCOCCF 7a_200000230437_100011217306 [0,1,0,0,0,0|3,0,0]=4 3441 B10R0.4 CC(C)CSCCOCCO 34a_200000230437_100000211926 [0,1,0,0,0,0|2,0,0]=3 3442 B10R0.4 CC(C)CSCCOCCO 62a_100000210624_100011215305 [0,1,0,0,0,0|2,0,0]=3 3443 B10R0.4 CC(C)CSCCOCCO 62a_100011215305_100000210760 [0,1,0,0,0,0|2,0,0]=3 3444 B10R0.4 CC(C)CSCCOCCO 7a_200000230437_100000211926 [0,1,0,0,0,0|2,0,0]=3 3445 B10R0.4 CC(C)NCCCCCC#N 2230a_100138425928_100009813376 [0,1,0,0,0,0|2,0,1]=4 3446 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [0,1,0,0,0,0|1,0,2]=4 3447 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [0,1,0,0,0,0|2,0,0]=3 3448 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [0,1,0,0,0,0|2,0,0]=3 3449 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [0,1,0,0,0,0|1,0,0]=2 3450 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [0,1,0,0,0,0|1,0,0]=2 3451 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [0,1,0,0,0,0|1,0,0]=2 3452 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [0,1,0,0,0,0|1,0,0]=2 3453 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [0,1,0,0,0,0|3,0,0]=4 3454 B10R0.4 CC(C)NCCCCOCF 34a_100011521146_100015361967 [0,1,0,0,0,0|3,0,0]=4 3455 B10R0.4 CC(C)NCCCOCCF 34a_100000182298_100011217306 [0,1,0,0,0,0|3,0,0]=4 3456 B10R0.4 CC(C)NCCCOCCO 34a_100000182298_100000211926 [0,1,0,0,0,0|2,0,0]=3 3457 B10R0.4 CC(C)NCCOCCCF 34a_100000224655_100011934791 [0,1,0,0,0,0|3,0,0]=4 3458 B10R0.4 CC(C)NCCOCCCO 34a_100000224655_100000230001 [0,1,0,0,0,0|2,0,0]=3 3459 B10R0.4 CC(C)NN=CCCCCO 4a_100000741168_100000031955 [0,1,0,0,0,0|2,0,1]=4 3460 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [0,1,0,0,0,0|2,0,0]=3 3461 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [0,1,0,0,0,0|2,0,0]=3 3462 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [0,1,0,0,0,0|2,0,0]=3 3463 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [0,1,0,0,0,0|2,0,0]=3 3464 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [0,1,0,0,0,0|2,0,0]=3 3465 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [0,1,0,0,0,0|2,0,0]=3 3466 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [0,1,0,0,0,0|2,0,0]=3 3467 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [0,1,0,0,0,0|2,0,0]=3 3468 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,1,0,0,0,0|1,0,0]=2 3469 B10R0.4 CC(C)OCCCNCCF 2230a_100000737246_100011217306 [0,1,0,0,0,0|3,0,0]=4 3470 B10R0.4 CC(C)OCCCNCCF 34a_100000737246_100011217306 [0,1,0,0,0,0|3,0,0]=4 3471 B10R0.4 CC(C)OCCCNCCO 2230a_100000737246_100000211926 [0,1,0,0,0,0|2,0,0]=3 3472 B10R0.4 CC(C)OCCCNCCO 34a_100000737246_100000211926 [0,1,0,0,0,0|2,0,0]=3 3473 B10R0.4 CC(C)OCCNCCCF 2230a_100000701111_100011934791 [0,1,0,0,0,0|3,0,0]=4 3474 B10R0.4 CC(C)OCCNCCCF 2230a_100015189416_100000211751 [0,1,0,0,0,0|3,0,0]=4 3475 B10R0.4 CC(C)OCCNCCCF 34a_100000701111_100011934791 [0,1,0,0,0,0|3,0,0]=4 3476 B10R0.4 CC(C)OCCNCCCF 34a_100015189416_100000211751 [0,1,0,0,0,0|3,0,0]=4 3477 B10R0.4 CC(C)OCCNCCCO 2230a_100000701111_100000230001 [0,1,0,0,0,0|2,0,0]=3 3478 B10R0.4 CC(C)OCCNCCCO 34a_100000701111_100000230001 [0,1,0,0,0,0|2,0,0]=3 3479 B10R0.4 CC(C)OCCOCCCBr 34a_100011217188_100000211751 [0,1,0,0,0,0|3,0,0]=4 3480 B10R0.4 CC(C)OCCOCCCCl 34a_100000230001_100000211751 [0,1,0,0,0,0|3,0,0]=4 3481 B10R0.4 CC(C)OCCOCCCF 34a_100000211219_100011934791 [0,1,0,0,0,0|3,0,0]=4 3482 B10R0.4 CC(C)OCCOCCCF 34a_100000759539_100000211751 [0,1,0,0,0,0|3,0,0]=4 3483 B10R0.4 CC(C)OCCOCCCF 7a_100000211219_100011934791 [0,1,0,0,0,0|3,0,0]=4 3484 B10R0.4 CC(C)OCCOCCCN 34a_100000182051_100000211751 [0,1,0,0,0,0|3,0,0]=4 3485 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [0,1,0,0,0,0|2,0,0]=3 3486 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [0,1,0,0,0,0|2,0,0]=3 3487 B10R0.4 CC(C)OCCSCCCF 62a_100000211751_100011934791 [0,1,0,0,0,0|3,0,0]=4 3488 B10R0.4 CC(C)OCCSCCCF 62a_100011934791_100000211751 [0,1,0,0,0,0|3,0,0]=4 3489 B10R0.4 CC(C)OCCSCCCO 62a_100000211751_100011215043 [0,1,0,0,0,0|2,0,0]=3 3490 B10R0.4 CC(C)OCCSCCCO 62a_100011215043_100000211751 [0,1,0,0,0,0|2,0,0]=3 3491 B10R0.4 CC(C)OCNCCCCO 2230a_100000750430_100000709892 [0,1,0,0,0,0|2,0,0]=3 3492 B10R0.4 CC(C)OCNCCCCO 34a_100000750430_100000709892 [0,1,0,0,0,0|2,0,0]=3 3493 B10R0.4 CC(C)OCOCCCCBr 34a_100011216708_100000709892 [0,1,0,0,0,0|3,0,0]=4 3494 B10R0.4 CC(C)OCOCCCCCl 34a_100000210776_100000709892 [0,1,0,0,0,0|3,0,0]=4 3495 B10R0.4 CC(C)OCOCCCCF 34a_100011995726_100000709892 [0,1,0,0,0,0|3,0,0]=4 3496 B10R0.4 CC(C)OCOCCCCI 34a_200012148704_100000709892 [0,1,0,0,0,0|3,0,0]=4 3497 B10R0.4 CC(C)OCOCCCCN 34a_100000750430_100000709892 [0,1,0,0,0,0|3,0,0]=4 3498 B10R0.4 CC(C)OCSCCCCF 62a_100000709892_100000729493 [0,1,0,0,0,0|3,0,0]=4 3499 B10R0.4 CC(C)OCSCCCCF 62a_100000729493_100000709892 [0,1,0,0,0,0|3,0,0]=4 3500 B10R0.4 CC(C)OCSCCCCO 62a_100000210776_100000709892 [0,1,0,0,0,0|2,0,0]=3 3501 B10R0.4 CC(C)OCSCCCCO 62a_100000709892_100000210776 [0,1,0,0,0,0|2,0,0]=3 3502 B10R0.4 CC(C)SCCCCCC#N 62a_100000210206_100009813376 [0,1,0,0,0,0|2,0,1]=4 3503 B10R0.4 CC(C)SCCCCCC#N 62a_100009813376_100000210206 [0,1,0,0,0,0|2,0,1]=4 3504 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [0,1,0,0,0,0|1,0,2]=4 3505 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [0,1,0,0,0,0|1,0,2]=4 3506 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [0,1,0,0,0,0|2,0,0]=3 3507 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [0,1,0,0,0,0|2,0,0]=3 3508 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [0,1,0,0,0,0|1,0,0]=2 3509 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [0,1,0,0,0,0|1,0,0]=2 3510 B10R0.4 CC(C)SCCNCCCF 2230a_100000731138_100011934791 [0,1,0,0,0,0|3,0,0]=4 3511 B10R0.4 CC(C)SCCNCCCF 2230a_100015189416_100000730970 [0,1,0,0,0,0|3,0,0]=4 3512 B10R0.4 CC(C)SCCNCCCF 34a_100000731138_100011934791 [0,1,0,0,0,0|3,0,0]=4 3513 B10R0.4 CC(C)SCCNCCCF 34a_100015189416_100000730970 [0,1,0,0,0,0|3,0,0]=4 3514 B10R0.4 CC(C)SCCNCCCO 2230a_100000731138_100000230001 [0,1,0,0,0,0|2,0,0]=3 3515 B10R0.4 CC(C)SCCNCCCO 34a_100000731138_100000230001 [0,1,0,0,0,0|2,0,0]=3 3516 B10R0.4 CC(C)SCCOCCCBr 34a_100011217188_100000730970 [0,1,0,0,0,0|3,0,0]=4 3517 B10R0.4 CC(C)SCCOCCCCl 34a_100000230001_100000730970 [0,1,0,0,0,0|3,0,0]=4 3518 B10R0.4 CC(C)SCCOCCCF 34a_100000759539_100000730970 [0,1,0,0,0,0|3,0,0]=4 3519 B10R0.4 CC(C)SCCOCCCF 34a_200011212901_100011934791 [0,1,0,0,0,0|3,0,0]=4 3520 B10R0.4 CC(C)SCCOCCCF 7a_200011212901_100011934791 [0,1,0,0,0,0|3,0,0]=4 3521 B10R0.4 CC(C)SCCOCCCN 34a_100000182051_100000730970 [0,1,0,0,0,0|3,0,0]=4 3522 B10R0.4 CC(C)SCCOCCCO 34a_200011212901_100000230001 [0,1,0,0,0,0|2,0,0]=3 3523 B10R0.4 CC(C)SCCOCCCO 7a_200011212901_100011215043 [0,1,0,0,0,0|2,0,0]=3 3524 B10R0.4 CC(C)SCCSCCCF 62a_100000730970_100011934791 [0,1,0,0,0,0|3,0,0]=4 3525 B10R0.4 CC(C)SCCSCCCF 62a_100011934791_100000730970 [0,1,0,0,0,0|3,0,0]=4 3526 B10R0.4 CC(C)SCCSCCCO 62a_100000730970_100011215043 [0,1,0,0,0,0|2,0,0]=3 3527 B10R0.4 CC(C)SCCSCCCO 62a_100011215043_100000730970 [0,1,0,0,0,0|2,0,0]=3 3528 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [0,1,0,0,0,0|2,0,0]=3 3529 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [0,1,0,0,0,0|1,0,0]=2 3530 B10R0.4 CC(F)COCCOCCO 34a_100015925927_100000692535 [0,1,0,0,0,0|2,0,0]=3 3531 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [0,1,0,0,0,0|2,0,0]=3 3532 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [0,1,0,0,0,0|2,0,0]=3 3533 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [0,1,0,0,0,0|2,0,0]=3 3534 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [0,1,0,0,0,0|2,0,0]=3 3535 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [0,1,0,0,0,0|2,0,0]=3 3536 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [0,1,0,0,0,0|2,0,0]=3 3537 B10R0.4 CC(O)CCCOCCON 34a_100000700252_200000718107 [0,1,0,0,0,0|3,0,0]=4 3538 B10R0.4 CC(O)CCCSCCC#N 62a_100011215226_200000718107 [0,1,0,0,0,0|2,0,1]=4 3539 B10R0.4 CC(O)CCCSCCC#N 62a_200000718107_100011215226 [0,1,0,0,0,0|2,0,1]=4 3540 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [0,1,0,0,0,0|2,0,0]=3 3541 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [0,1,0,0,0,0|2,0,0]=3 3542 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,1,0,0,0,0|1,0,0]=2 3543 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,1,0,0,0,0|1,0,0]=2 3544 B10R0.4 CC(O)CCNCC#CCO 2230a_200000755665_200000047223 [0,1,0,0,0,0|1,0,2]=4 3545 B10R0.4 CC(O)CCNCCCC#N 2230a_200000755665_100000687738 [0,1,0,0,0,0|2,0,1]=4 3546 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [0,1,0,0,0,0|1,0,2]=4 3547 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [0,1,0,0,0,0|2,0,0]=3 3548 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,1,0,0,0,0|1,0,0]=2 3549 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,1,0,0,0,0|1,0,0]=2 3550 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,1,0,0,0,0|1,0,0]=2 3551 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [0,1,0,0,0,0|2,0,0]=3 3552 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [0,1,0,0,0,0|2,0,0]=3 3553 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [0,1,0,0,0,0|2,0,0]=3 3554 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [0,1,0,0,0,0|2,0,0]=3 3555 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [0,1,0,0,0,0|2,0,0]=3 3556 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [0,1,0,0,0,0|2,0,0]=3 3557 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,1,0,0,0,0|2,0,0]=3 3558 B10R0.4 CC(O)CCSCC#CCO 62a_100012276601_200000047223 [0,1,0,0,0,0|1,0,2]=4 3559 B10R0.4 CC(O)CCSCC#CCO 62a_200000047223_100012276601 [0,1,0,0,0,0|1,0,2]=4 3560 B10R0.4 CC(O)CCSCCCC#N 62a_100000687738_100012276601 [0,1,0,0,0,0|2,0,1]=4 3561 B10R0.4 CC(O)CCSCCCC#N 62a_100012276601_100000687738 [0,1,0,0,0,0|2,0,1]=4 3562 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [0,1,0,0,0,0|1,0,2]=4 3563 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [0,1,0,0,0,0|1,0,2]=4 3564 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [0,1,0,0,0,0|2,0,0]=3 3565 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [0,1,0,0,0,0|2,0,0]=3 3566 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,1,0,0,0,0|1,0,0]=2 3567 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,1,0,0,0,0|1,0,0]=2 3568 B10R0.4 CC(O)CNCCCCC#N 2230a_100000210904_100000211819 [0,1,0,0,0,0|2,0,1]=4 3569 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [0,1,0,0,0,0|1,0,2]=4 3570 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,1,0,0,0,0|2,0,0]=3 3571 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,1,0,0,0,0|2,0,0]=3 3572 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,1,0,0,0,0|1,0,0]=2 3573 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,1,0,0,0,0|1,0,0]=2 3574 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,1,0,0,0,0|1,0,0]=2 3575 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,1,0,0,0,0|1,0,0]=2 3576 B10R0.4 CC(O)CNCCOCCO 2230a_100000210904_100011215305 [0,1,0,0,0,0|2,0,0]=3 3577 B10R0.4 CC(O)CNCCOCCO 2230a_100000211614_100011218427 [0,1,0,0,0,0|2,0,0]=3 3578 B10R0.4 CC(O)CNCCOCCO 34a_100000210904_100000692535 [0,1,0,0,0,0|2,0,0]=3 3579 B10R0.4 CC(O)CNCCOCCO 34a_100000211614_100011218427 [0,1,0,0,0,0|2,0,0]=3 3580 B10R0.4 CC(O)CNCCSCCO 2230a_100011219999_100011218427 [0,1,0,0,0,0|2,0,0]=3 3581 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,1,0,0,0,0|2,0,0]=3 3582 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,1,0,0,0,0|2,0,0]=3 3583 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,1,0,0,0,0|2,0,0]=3 3584 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,1,0,0,0,0|2,0,0]=3 3585 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,1,0,0,0,0|2,0,0]=3 3586 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,1,0,0,0,0|2,0,0]=3 3587 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,1,0,0,0,0|2,0,0]=3 3588 B10R0.4 CC(O)COCCOCCBr 34a_100000692535_100011218427 [0,1,0,0,0,0|3,0,0]=4 3589 B10R0.4 CC(O)COCCOCCBr 7a_100000692535_100011218427 [0,1,0,0,0,0|3,0,0]=4 3590 B10R0.4 CC(O)COCCOCCCl 34a_100011215305_100011218427 [0,1,0,0,0,0|3,0,0]=4 3591 B10R0.4 CC(O)COCCOCCCl 7a_100011215305_100011218427 [0,1,0,0,0,0|3,0,0]=4 3592 B10R0.4 CC(O)COCCOCCF 34a_200015357709_100011218427 [0,1,0,0,0,0|3,0,0]=4 3593 B10R0.4 CC(O)COCCOCCF 7a_200015357709_100011218427 [0,1,0,0,0,0|3,0,0]=4 3594 B10R0.4 CC(O)COCCOCCI 34a_100012149058_100011218427 [0,1,0,0,0,0|3,0,0]=4 3595 B10R0.4 CC(O)COCCOCCI 7a_100012149058_100011218427 [0,1,0,0,0,0|3,0,0]=4 3596 B10R0.4 CC(O)COCCOCCN 34a_100000211614_100011218427 [0,1,0,0,0,0|3,0,0]=4 3597 B10R0.4 CC(O)CSCCCCC#N 62a_100011218427_100000211819 [0,1,0,0,0,0|2,0,1]=4 3598 B10R0.4 CC(O)CSCCCCC#N 62a_100011219923_100011218427 [0,1,0,0,0,0|2,0,1]=4 3599 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [0,1,0,0,0,0|1,0,2]=4 3600 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [0,1,0,0,0,0|1,0,2]=4 3601 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,1,0,0,0,0|2,0,0]=3 3602 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,1,0,0,0,0|2,0,0]=3 3603 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,1,0,0,0,0|1,0,0]=2 3604 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,1,0,0,0,0|1,0,0]=2 3605 B10R0.4 CC(O)CSCCOCCO 62a_100011215305_100011218427 [0,1,0,0,0,0|2,0,0]=3 3606 B10R0.4 CC(O)CSCCOCCO 62a_100011218427_100011215305 [0,1,0,0,0,0|2,0,0]=3 3607 B10R0.4 CC/C=C\CCNCC(C)O 2230a_100000210904_100015370543 [0,1,0,0,0,0|1,0,2]=4 3608 B10R0.4 CC/C=C\CCNCC(C)O 34a_100000210904_100015370543 [0,1,0,0,0,0|1,0,2]=4 3609 B10R0.4 CC/C=C\CCOCC(C)O 34a_100016288707_100011218427 [0,1,0,0,0,0|1,0,2]=4 3610 B10R0.4 CC/C=C\CCOCC(C)O 7a_100016288707_100011218427 [0,1,0,0,0,0|1,0,2]=4 3611 B10R0.4 CC/C=C\CCOC[C@@H](C)O 34a_100016288707_100009817552 [0,1,0,0,0,0|1,0,2]=4 3612 B10R0.4 CC/C=C\CCOC[C@@H](C)O 7a_100016288707_100009817552 [0,1,0,0,0,0|1,0,2]=4 3613 B10R0.4 CC/C=C\CCSCC(C)O 62a_100011218427_100015370543 [0,1,0,0,0,0|1,0,2]=4 3614 B10R0.4 CC/C=C\CCSCC(C)O 62a_100015370543_100011218427 [0,1,0,0,0,0|1,0,2]=4 3615 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100009817552_100015370543 [0,1,0,0,0,0|1,0,2]=4 3616 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100015370543_100009817552 [0,1,0,0,0,0|1,0,2]=4 3617 B10R0.4 CC/C=C\CNCCC(C)O 2230a_200000755665_100103147603 [0,1,0,0,0,0|1,0,2]=4 3618 B10R0.4 CC/C=C\COCCC(C)O 34a_100016268518_100012276601 [0,1,0,0,0,0|1,0,2]=4 3619 B10R0.4 CC/C=C\CSCCC(C)O 62a_100012276601_100103147603 [0,1,0,0,0,0|1,0,2]=4 3620 B10R0.4 CC/C=C\CSCCC(C)O 62a_100103147603_100012276601 [0,1,0,0,0,0|1,0,2]=4 3621 B10R0.4 CC=CCCCOCC(C)O 34a_100020645299_100011218427 [0,1,0,0,0,0|1,0,2]=4 3622 B10R0.4 CC=CCCCOC[C@@H](C)O 34a_100020645299_100009817552 [0,1,0,0,0,0|1,0,2]=4 3623 B10R0.4 CC=CCSCCCC(C)O 62a_100000070051_200000718107 [0,1,0,0,0,0|1,0,2]=4 3624 B10R0.4 CC=CCSCCCC(C)O 62a_200000718107_100000070051 [0,1,0,0,0,0|1,0,2]=4 3625 B10R0.4 CCC#CCCOCC(C)O 34a_100000036655_100011218427 [0,1,0,0,0,0|1,0,2]=4 3626 B10R0.4 CCC#CCCOCC(C)O 7a_100000036655_100011218427 [0,1,0,0,0,0|1,0,2]=4 3627 B10R0.4 CCC#CCCOC[C@@H](C)O 34a_100000036655_100009817552 [0,1,0,0,0,0|1,0,2]=4 3628 B10R0.4 CCC#CCCOC[C@@H](C)O 7a_100000036655_100009817552 [0,1,0,0,0,0|1,0,2]=4 3629 B10R0.4 CCC#CCNCCC(C)O 2230a_200000755665_100009813939 [0,1,0,0,0,0|1,0,2]=4 3630 B10R0.4 CCC#CCOCCC(C)O 34a_100000032950_100012276601 [0,1,0,0,0,0|1,0,2]=4 3631 B10R0.4 CCC#CCSCCC(C)O 62a_100009813939_100012276601 [0,1,0,0,0,0|1,0,2]=4 3632 B10R0.4 CCC#CCSCCC(C)O 62a_100012276601_100009813939 [0,1,0,0,0,0|1,0,2]=4 3633 B10R0.4 CCC/C=C/COCC(C)O 34a_100016278788_100011218427 [0,1,0,0,0,0|1,0,2]=4 3634 B10R0.4 CCC/C=C/COCC(C)O 7a_100016278788_100011218427 [0,1,0,0,0,0|1,0,2]=4 3635 B10R0.4 CCC/C=C/COC[C@@H](C)O 34a_100016278788_100009817552 [0,1,0,0,0,0|1,0,2]=4 3636 B10R0.4 CCC/C=C/COC[C@@H](C)O 7a_100016278788_100009817552 [0,1,0,0,0,0|1,0,2]=4 3637 B10R0.4 CCCC#CCOCC(C)O 34a_100000034806_100011218427 [0,1,0,0,0,0|1,0,2]=4 3638 B10R0.4 CCCC#CCOCC(C)O 7a_100000034806_100011218427 [0,1,0,0,0,0|1,0,2]=4 3639 B10R0.4 CCCC#CCOC[C@@H](C)O 34a_100000034806_100009817552 [0,1,0,0,0,0|1,0,2]=4 3640 B10R0.4 CCCC#CCOC[C@@H](C)O 7a_100000034806_100009817552 [0,1,0,0,0,0|1,0,2]=4 3641 B10R0.4 CCCCC=NNCC(C)O 4a_200000730056_100000210104 [0,1,0,0,0,0|2,0,1]=4 3642 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,1,0,0,0,0|0,0,2]=3 3643 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,1,0,0,0,0|0,0,2]=3 3644 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,1,0,0,0,0|0,0,2]=3 3645 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,1,0,0,0,0|2,0,0]=3 3646 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,1,0,0,0,0|2,0,0]=3 3647 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,1,0,0,0,0|2,0,0]=3 3648 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,1,0,0,0,0|2,0,0]=3 3649 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,1,0,0,0,0|2,0,0]=3 3650 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,1,0,0,0,0|2,0,0]=3 3651 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 3652 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 3653 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 3654 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,1,0,0,0,0|1,0,2]=4 3655 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,1,0,0,0,0|2,0,0]=3 3656 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,1,0,0,0,0|2,0,0]=3 3657 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,1,0,0,0,0|2,0,0]=3 3658 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,1,0,0,0,0|2,0,0]=3 3659 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,1,0,0,0,0|2,0,0]=3 3660 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,1,0,0,0,0|2,0,0]=3 3661 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,1,0,0,0,0|2,0,0]=3 3662 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,1,0,0,0,0|2,0,0]=3 3663 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,1,0,0,0,0|1,0,2]=4 3664 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,1,0,0,0,0|1,0,2]=4 3665 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,1,0,0,0,0|1,0,1]=3 3666 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,1,0,0,0,0|2,0,0]=3 3667 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,1,0,0,0,0|2,0,0]=3 3668 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,1,0,0,0,0|2,0,0]=3 3669 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,1,0,0,0,0|2,0,0]=3 3670 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,1,0,0,0,0|1,0,0]=2 3671 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,1,0,0,0,0|1,0,0]=2 3672 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,1,0,0,0,0|1,0,0]=2 3673 B10R0.4 CCCCCCNCC(F)F 2230a_100000210581_100011934356 [0,1,0,0,0,0|2,0,0]=3 3674 B10R0.4 CCCCCCNCC(F)F 34a_100000765723_100000210314 [0,1,0,0,0,0|2,0,0]=3 3675 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,1,0,0,0,0|1,0,0]=2 3676 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,1,0,0,0,0|1,0,2]=4 3677 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,1,0,0,0,0|1,0,2]=4 3678 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,1,0,0,0,0|1,0,2]=4 3679 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,1,0,0,0,0|1,0,2]=4 3680 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,1,0,0,0,0|2,0,0]=3 3681 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,1,0,0,0,0|2,0,0]=3 3682 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,1,0,0,0,0|2,0,0]=3 3683 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,1,0,0,0,0|2,0,0]=3 3684 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,1,0,0,0,0|2,0,0]=3 3685 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,1,0,0,0,0|1,0,0]=2 3686 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,1,0,0,0,0|1,0,0]=2 3687 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [0,1,0,0,0,0|2,0,0]=3 3688 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [0,1,0,0,0,0|2,0,0]=3 3689 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [0,1,0,0,0,0|2,0,0]=3 3690 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,1,0,0,0,0|2,0,0]=3 3691 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,1,0,0,0,0|2,0,0]=3 3692 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,1,0,0,0,0|1,0,0]=2 3693 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,1,0,0,0,0|1,0,0]=2 3694 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,1,0,0,0,0|2,0,1]=4 3695 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,1,0,0,0,0|1,0,2]=4 3696 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,1,0,0,0,0|1,0,2]=4 3697 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,1,0,0,0,0|1,0,2]=4 3698 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,1,0,0,0,0|1,0,2]=4 3699 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,1,0,0,0,0|2,0,0]=3 3700 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,1,0,0,0,0|2,0,0]=3 3701 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,1,0,0,0,0|1,0,0]=2 3702 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,1,0,0,0,0|1,0,0]=2 3703 B10R0.4 CCCCCCSCC(F)F 62a_100000210314_100011934356 [0,1,0,0,0,0|2,0,0]=3 3704 B10R0.4 CCCCCCSCC(F)F 62a_100011934356_100000210757 [0,1,0,0,0,0|2,0,0]=3 3705 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,1,0,0,0,0|1,0,0]=2 3706 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,1,0,0,0,0|1,0,0]=2 3707 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,1,0,0,0,0|2,0,1]=4 3708 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,1,0,0,0,0|1,0,2]=4 3709 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [0,1,0,0,0,0|2,0,0]=3 3710 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [0,1,0,0,0,0|2,0,0]=3 3711 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,1,0,0,0,0|1,0,0]=2 3712 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,1,0,0,0,0|1,0,0]=2 3713 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [0,1,0,0,0,0|3,0,0]=4 3714 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,1,0,0,0,0|2,0,1]=4 3715 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,1,0,0,0,0|1,0,2]=4 3716 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,1,0,0,0,0|1,0,2]=4 3717 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,1,0,0,0,0|1,0,2]=4 3718 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,1,0,0,0,0|1,0,2]=4 3719 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,1,0,0,0,0|1,0,2]=4 3720 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,1,0,0,0,0|1,0,2]=4 3721 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,1,0,0,0,0|1,0,2]=4 3722 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [0,1,0,0,0,0|2,0,0]=3 3723 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [0,1,0,0,0,0|2,0,0]=3 3724 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [0,1,0,0,0,0|2,0,0]=3 3725 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [0,1,0,0,0,0|2,0,0]=3 3726 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [0,1,0,0,0,0|2,0,0]=3 3727 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,1,0,0,0,0|1,0,0]=2 3728 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,1,0,0,0,0|1,0,0]=2 3729 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [0,1,0,0,0,0|2,0,0]=3 3730 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [0,1,0,0,0,0|3,0,0]=4 3731 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [0,1,0,0,0,0|2,0,0]=3 3732 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [0,1,0,0,0,0|3,0,0]=4 3733 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,1,0,0,0,0|1,0,2]=4 3734 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,1,0,0,0,0|1,0,2]=4 3735 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,1,0,0,0,0|1,0,2]=4 3736 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,1,0,0,0,0|1,0,2]=4 3737 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [0,1,0,0,0,0|2,0,0]=3 3738 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [0,1,0,0,0,0|2,0,0]=3 3739 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,1,0,0,0,0|1,0,0]=2 3740 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,1,0,0,0,0|1,0,0]=2 3741 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [0,1,0,0,0,0|3,0,0]=4 3742 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [0,1,0,0,0,0|3,0,0]=4 3743 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [0,1,0,0,0,0|3,0,0]=4 3744 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,1,0,0,0,0|1,0,2]=4 3745 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,1,0,0,0,0|1,0,2]=4 3746 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,1,0,0,0,0|1,0,2]=4 3747 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [0,1,0,0,0,0|2,0,0]=3 3748 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [0,1,0,0,0,0|2,0,0]=3 3749 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [0,1,0,0,0,0|2,0,0]=3 3750 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [0,1,0,0,0,0|2,0,0]=3 3751 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,1,0,0,0,0|1,0,0]=2 3752 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,1,0,0,0,0|1,0,0]=2 3753 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [0,1,0,0,0,0|3,0,0]=4 3754 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,1,0,0,0,0|2,0,1]=4 3755 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [0,1,0,0,0,0|3,0,0]=4 3756 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [0,1,0,0,0,0|3,0,0]=4 3757 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [0,1,0,0,0,0|3,0,0]=4 3758 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [0,1,0,0,0,0|3,0,0]=4 3759 B10R0.4 CCCCNCCSC(C)C 2230a_100000102301_100000730970 [0,1,0,0,0,0|3,0,0]=4 3760 B10R0.4 CCCCNCCSC(C)C 2230a_100000731138_100000210211 [0,1,0,0,0,0|3,0,0]=4 3761 B10R0.4 CCCCNCCSC(C)C 34a_100000731138_100000210210 [0,1,0,0,0,0|3,0,0]=4 3762 B10R0.4 CCCCNCCSC(C)C 7a_106832991798_100000730970 [0,1,0,0,0,0|3,0,0]=4 3763 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,1,0,0,0,0|1,0,2]=4 3764 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,1,0,0,0,0|1,0,2]=4 3765 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,1,0,0,0,0|1,0,2]=4 3766 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,1,0,0,0,0|1,0,2]=4 3767 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,1,0,0,0,0|1,0,2]=4 3768 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,1,0,0,0,0|1,0,2]=4 3769 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [0,1,0,0,0,0|2,0,0]=3 3770 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [0,1,0,0,0,0|2,0,0]=3 3771 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [0,1,0,0,0,0|2,0,0]=3 3772 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [0,1,0,0,0,0|2,0,0]=3 3773 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,1,0,0,0,0|1,0,0]=2 3774 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,1,0,0,0,0|1,0,0]=2 3775 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [0,1,0,0,0,0|3,0,0]=4 3776 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,1,0,0,0,0|2,0,1]=4 3777 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [0,1,0,0,0,0|3,0,0]=4 3778 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [0,1,0,0,0,0|3,0,0]=4 3779 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [0,1,0,0,0,0|3,0,0]=4 3780 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [0,1,0,0,0,0|3,0,0]=4 3781 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [0,1,0,0,0,0|3,0,0]=4 3782 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [0,1,0,0,0,0|3,0,0]=4 3783 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [0,1,0,0,0,0|3,0,0]=4 3784 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [0,1,0,0,0,0|3,0,0]=4 3785 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [0,1,0,0,0,0|3,0,0]=4 3786 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [0,1,0,0,0,0|3,0,0]=4 3787 B10R0.4 CCCCOCCSC(C)C 34a_100000210227_100000730970 [0,1,0,0,0,0|3,0,0]=4 3788 B10R0.4 CCCCOCCSC(C)C 34a_200011212901_100000210210 [0,1,0,0,0,0|3,0,0]=4 3789 B10R0.4 CCCCOCCSC(C)C 62a_100000210206_100000743108 [0,1,0,0,0,0|3,0,0]=4 3790 B10R0.4 CCCCOCCSC(C)C 62a_100000743108_100000210206 [0,1,0,0,0,0|3,0,0]=4 3791 B10R0.4 CCCCOCCSC(C)C 7a_100000210227_100000730970 [0,1,0,0,0,0|3,0,0]=4 3792 B10R0.4 CCCCOCCSC(C)C 7a_200011212901_100000210211 [0,1,0,0,0,0|3,0,0]=4 3793 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,1,0,0,0,0|2,0,1]=4 3794 B10R0.4 CCCCOCNCC(C)C 2230a_100000210953_100011995733 [0,1,0,0,0,0|3,0,0]=4 3795 B10R0.4 CCCCOCNCC(C)C 34a_100000210953_100011995733 [0,1,0,0,0,0|3,0,0]=4 3796 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [0,1,0,0,0,0|2,0,0]=3 3797 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [0,1,0,0,0,0|2,0,0]=3 3798 B10R0.4 CCCCOCNCC(F)F 34a_100000765723_100011995733 [0,1,0,0,0,0|3,0,0]=4 3799 B10R0.4 CCCCOCOCC(C)Br 34a_100012180447_100011995733 [0,1,0,0,0,0|3,0,0]=4 3800 B10R0.4 CCCCOCOCC(C)C 34a_100000210257_100011995733 [0,1,0,0,0,0|3,0,0]=4 3801 B10R0.4 CCCCOCOCC(C)F 34a_100015925927_100011995733 [0,1,0,0,0,0|3,0,0]=4 3802 B10R0.4 CCCCOCOCC(F)F 34a_100000743014_100011995733 [0,1,0,0,0,0|3,0,0]=4 3803 B10R0.4 CCCCOCOC[C@@H](C)Cl 34a_100016084084_100011995733 [0,1,0,0,0,0|3,0,0]=4 3804 B10R0.4 CCCCOCOC[C@@H](C)N 34a_100000737577_100011995733 [0,1,0,0,0,0|3,0,0]=4 3805 B10R0.4 CCCCOCSCC(C)C 62a_100000210624_100011995733 [0,1,0,0,0,0|3,0,0]=4 3806 B10R0.4 CCCCOCSCC(C)C 62a_100011995733_100000210760 [0,1,0,0,0,0|3,0,0]=4 3807 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [0,1,0,0,0,0|2,0,0]=3 3808 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [0,1,0,0,0,0|2,0,0]=3 3809 B10R0.4 CCCCOCSCC(F)F 62a_100011934356_100011995733 [0,1,0,0,0,0|3,0,0]=4 3810 B10R0.4 CCCCOCSCC(F)F 62a_100011995733_100011934356 [0,1,0,0,0,0|3,0,0]=4 3811 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [0,1,0,0,0,0|2,0,0]=3 3812 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [0,1,0,0,0,0|2,0,0]=3 3813 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,1,0,0,0,0|1,0,2]=4 3814 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,1,0,0,0,0|1,0,2]=4 3815 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,1,0,0,0,0|1,0,2]=4 3816 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,1,0,0,0,0|1,0,2]=4 3817 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [0,1,0,0,0,0|2,0,0]=3 3818 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [0,1,0,0,0,0|2,0,0]=3 3819 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,1,0,0,0,0|1,0,0]=2 3820 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,1,0,0,0,0|1,0,0]=2 3821 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [0,1,0,0,0,0|3,0,0]=4 3822 B10R0.4 CCCCSCCNC(C)C 2230a_100025743550_100000210206 [0,1,0,0,0,0|3,0,0]=4 3823 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [0,1,0,0,0,0|3,0,0]=4 3824 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [0,1,0,0,0,0|3,0,0]=4 3825 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [0,1,0,0,0,0|3,0,0]=4 3826 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [0,1,0,0,0,0|3,0,0]=4 3827 B10R0.4 CCCCSCCSC(C)C 62a_100000210211_100000730970 [0,1,0,0,0,0|3,0,0]=4 3828 B10R0.4 CCCCSCCSC(C)C 62a_100000730970_100000210210 [0,1,0,0,0,0|3,0,0]=4 3829 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,1,0,0,0,0|1,0,2]=4 3830 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [0,1,0,0,0,0|3,0,0]=4 3831 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [0,1,0,0,0,0|3,0,0]=4 3832 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,1,0,0,0,0|2,0,1]=4 3833 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [0,1,0,0,0,0|2,0,0]=3 3834 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,1,0,0,0,0|1,0,2]=4 3835 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,1,0,0,0,0|1,0,2]=4 3836 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,1,0,0,0,0|1,0,2]=4 3837 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,1,0,0,0,0|2,0,0]=3 3838 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,1,0,0,0,0|2,0,0]=3 3839 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,1,0,0,0,0|2,0,0]=3 3840 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,1,0,0,0,0|2,0,1]=4 3841 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,1,0,0,0,0|2,0,1]=4 3842 B10R0.4 CCCOCCCNC(C)C 2230a_100011217757_100000210206 [0,1,0,0,0,0|3,0,0]=4 3843 B10R0.4 CCCOCCCNC(C)C 34a_100000182298_100000210303 [0,1,0,0,0,0|3,0,0]=4 3844 B10R0.4 CCCOCCCNC(C)C 34a_100011217757_100000210206 [0,1,0,0,0,0|3,0,0]=4 3845 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,1,0,0,0,0|2,0,1]=4 3846 B10R0.4 CCCOCCNCC(C)C 2230a_100000210953_100011215938 [0,1,0,0,0,0|3,0,0]=4 3847 B10R0.4 CCCOCCNCC(C)C 2230a_100161115042_100000210760 [0,1,0,0,0,0|3,0,0]=4 3848 B10R0.4 CCCOCCNCC(C)C 270004a_100161115042_100000210432 [0,1,0,0,0,0|3,0,0]=4 3849 B10R0.4 CCCOCCNCC(C)C 34a_100000210953_100011215938 [0,1,0,0,0,0|3,0,0]=4 3850 B10R0.4 CCCOCCNCC(C)C 34a_100015185251_100000210303 [0,1,0,0,0,0|3,0,0]=4 3851 B10R0.4 CCCOCCNCC(C)C 34a_100161115042_100000210624 [0,1,0,0,0,0|3,0,0]=4 3852 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [0,1,0,0,0,0|2,0,0]=3 3853 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [0,1,0,0,0,0|2,0,0]=3 3854 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [0,1,0,0,0,0|2,0,0]=3 3855 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [0,1,0,0,0,0|2,0,0]=3 3856 B10R0.4 CCCOCCNCC(F)F 2230a_100161115042_100011934356 [0,1,0,0,0,0|3,0,0]=4 3857 B10R0.4 CCCOCCNCC(F)F 34a_100000765723_100011215938 [0,1,0,0,0,0|3,0,0]=4 3858 B10R0.4 CCCOCCNCC(F)F 34a_100161115042_100011934356 [0,1,0,0,0,0|3,0,0]=4 3859 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [0,1,0,0,0,0|2,0,0]=3 3860 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [0,1,0,0,0,0|2,0,0]=3 3861 B10R0.4 CCCOCCOCC(C)Br 34a_100012180447_100011215938 [0,1,0,0,0,0|3,0,0]=4 3862 B10R0.4 CCCOCCOCC(C)C 34a_100000210257_100011215938 [0,1,0,0,0,0|3,0,0]=4 3863 B10R0.4 CCCOCCOCC(C)C 34a_100000703358_100000210303 [0,1,0,0,0,0|3,0,0]=4 3864 B10R0.4 CCCOCCOCC(C)C 34a_100000752267_100000210624 [0,1,0,0,0,0|3,0,0]=4 3865 B10R0.4 CCCOCCOCC(C)C 7a_100000703358_100000210303 [0,1,0,0,0,0|3,0,0]=4 3866 B10R0.4 CCCOCCOCC(C)C 7a_100000752267_100000210760 [0,1,0,0,0,0|3,0,0]=4 3867 B10R0.4 CCCOCCOCC(C)F 34a_100015925927_100011215938 [0,1,0,0,0,0|3,0,0]=4 3868 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [0,1,0,0,0,0|2,0,0]=3 3869 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [0,1,0,0,0,0|2,0,0]=3 3870 B10R0.4 CCCOCCOCC(F)F 34a_100000210258_200012177212 [0,1,0,0,0,0|3,0,0]=4 3871 B10R0.4 CCCOCCOCC(F)F 34a_100000704375_100000210303 [0,1,0,0,0,0|3,0,0]=4 3872 B10R0.4 CCCOCCOCC(F)F 34a_100000743014_100011215938 [0,1,0,0,0,0|3,0,0]=4 3873 B10R0.4 CCCOCCOCC(F)F 34a_100000752267_100011934356 [0,1,0,0,0,0|3,0,0]=4 3874 B10R0.4 CCCOCCOCC(F)F 7a_100000704375_100000210303 [0,1,0,0,0,0|3,0,0]=4 3875 B10R0.4 CCCOCCOCC(F)F 7a_100000752267_100011934356 [0,1,0,0,0,0|3,0,0]=4 3876 B10R0.4 CCCOCCOC[C@@H](C)Cl 34a_100016084084_100011215938 [0,1,0,0,0,0|3,0,0]=4 3877 B10R0.4 CCCOCCOC[C@@H](C)N 34a_100000737577_100011215938 [0,1,0,0,0,0|3,0,0]=4 3878 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [0,1,0,0,0,0|2,0,0]=3 3879 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [0,1,0,0,0,0|2,0,0]=3 3880 B10R0.4 CCCOCCSCC(C)C 34a_200000230437_100000210303 [0,1,0,0,0,0|3,0,0]=4 3881 B10R0.4 CCCOCCSCC(C)C 62a_100000210624_100011215938 [0,1,0,0,0,0|3,0,0]=4 3882 B10R0.4 CCCOCCSCC(C)C 62a_100011215938_100000210760 [0,1,0,0,0,0|3,0,0]=4 3883 B10R0.4 CCCOCCSCC(C)C 7a_200000230437_100000210303 [0,1,0,0,0,0|3,0,0]=4 3884 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [0,1,0,0,0,0|2,0,0]=3 3885 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [0,1,0,0,0,0|2,0,0]=3 3886 B10R0.4 CCCOCCSCC(F)F 62a_100011215938_100011934356 [0,1,0,0,0,0|3,0,0]=4 3887 B10R0.4 CCCOCCSCC(F)F 62a_100011934356_100011215938 [0,1,0,0,0,0|3,0,0]=4 3888 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [0,1,0,0,0,0|2,0,0]=3 3889 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [0,1,0,0,0,0|2,0,0]=3 3890 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [0,1,0,0,0,0|2,0,0]=3 3891 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [0,1,0,0,0,0|2,0,0]=3 3892 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,1,0,0,0,0|1,0,2]=4 3893 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,1,0,0,0,0|1,0,2]=4 3894 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [0,1,0,0,0,0|2,0,0]=3 3895 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [0,1,0,0,0,0|2,0,0]=3 3896 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [0,1,0,0,0,0|3,0,0]=4 3897 B10R0.4 CCCSCCNCC(C)C 2230a_100020603323_100000210760 [0,1,0,0,0,0|3,0,0]=4 3898 B10R0.4 CCCSCCNCC(C)C 270004a_100020603323_100000210432 [0,1,0,0,0,0|3,0,0]=4 3899 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [0,1,0,0,0,0|2,0,0]=3 3900 B10R0.4 CCCSCCNCC(F)F 2230a_100020603323_100011934356 [0,1,0,0,0,0|3,0,0]=4 3901 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [0,1,0,0,0,0|2,0,0]=3 3902 B10R0.4 CCCSCCOCC(C)C 34a_200000230433_100000210624 [0,1,0,0,0,0|3,0,0]=4 3903 B10R0.4 CCCSCCOCC(C)C 7a_200000230433_100000210760 [0,1,0,0,0,0|3,0,0]=4 3904 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [0,1,0,0,0,0|2,0,0]=3 3905 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [0,1,0,0,0,0|2,0,0]=3 3906 B10R0.4 CCCSCCOCC(F)F 34a_200000230433_100011934356 [0,1,0,0,0,0|3,0,0]=4 3907 B10R0.4 CCCSCCOCC(F)F 62a_100000210303_200012177212 [0,1,0,0,0,0|3,0,0]=4 3908 B10R0.4 CCCSCCOCC(F)F 62a_200012177212_100000210303 [0,1,0,0,0,0|3,0,0]=4 3909 B10R0.4 CCCSCCOCC(F)F 7a_200000230433_100011934356 [0,1,0,0,0,0|3,0,0]=4 3910 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [0,1,0,0,0,0|2,0,0]=3 3911 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [0,1,0,0,0,0|2,0,0]=3 3912 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [0,1,0,0,0,0|2,0,0]=3 3913 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,1,0,0,0,0|1,0,2]=4 3914 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [0,1,0,0,0,0|2,0,0]=3 3915 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [0,1,0,0,0,0|2,0,0]=3 3916 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [0,1,0,0,0,0|2,0,0]=3 3917 B10R0.4 CCNCCCOCC(C)C 2230a_100000205972_100000210202 [0,1,0,0,0,0|3,0,0]=4 3918 B10R0.4 CCNCCCOCC(C)C 34a_100000205972_100000210202 [0,1,0,0,0,0|3,0,0]=4 3919 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [0,1,0,0,0,0|2,0,0]=3 3920 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,1,0,0,0,0|1,0,2]=4 3921 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,1,0,0,0,0|1,0,2]=4 3922 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,1,0,0,0,0|1,0,2]=4 3923 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,1,0,0,0,0|1,0,2]=4 3924 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,1,0,0,0,0|2,0,0]=3 3925 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,1,0,0,0,0|2,0,0]=3 3926 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,1,0,0,0,0|2,0,0]=3 3927 B10R0.4 CCOCCCCNC(C)C 34a_100011521146_100000210202 [0,1,0,0,0,0|3,0,0]=4 3928 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,1,0,0,0,0|2,0,1]=4 3929 B10R0.4 CCOCCCNCC(C)C 2230a_100000210953_100012232248 [0,1,0,0,0,0|3,0,0]=4 3930 B10R0.4 CCOCCCNCC(C)C 2230a_100000210961_100000210760 [0,1,0,0,0,0|3,0,0]=4 3931 B10R0.4 CCOCCCNCC(C)C 270004a_100000210961_100000210432 [0,1,0,0,0,0|3,0,0]=4 3932 B10R0.4 CCOCCCNCC(C)C 34a_100000210953_100012232248 [0,1,0,0,0,0|3,0,0]=4 3933 B10R0.4 CCOCCCNCC(C)C 34a_100000210961_100000210624 [0,1,0,0,0,0|3,0,0]=4 3934 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [0,1,0,0,0,0|2,0,0]=3 3935 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [0,1,0,0,0,0|2,0,0]=3 3936 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [0,1,0,0,0,0|2,0,0]=3 3937 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [0,1,0,0,0,0|2,0,0]=3 3938 B10R0.4 CCOCCCNCC(F)F 2230a_100000210961_100011934356 [0,1,0,0,0,0|3,0,0]=4 3939 B10R0.4 CCOCCCNCC(F)F 34a_100000210961_100011934356 [0,1,0,0,0,0|3,0,0]=4 3940 B10R0.4 CCOCCCNCC(F)F 34a_100000765723_100012232248 [0,1,0,0,0,0|3,0,0]=4 3941 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [0,1,0,0,0,0|2,0,0]=3 3942 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [0,1,0,0,0,0|2,0,0]=3 3943 B10R0.4 CCOCCCOCC(C)Br 34a_100012180447_100012232248 [0,1,0,0,0,0|3,0,0]=4 3944 B10R0.4 CCOCCCOCC(C)C 34a_100000210257_100012232248 [0,1,0,0,0,0|3,0,0]=4 3945 B10R0.4 CCOCCCOCC(C)C 34a_100000757476_100000210624 [0,1,0,0,0,0|3,0,0]=4 3946 B10R0.4 CCOCCCOCC(C)C 7a_100000757476_100000210760 [0,1,0,0,0,0|3,0,0]=4 3947 B10R0.4 CCOCCCOCC(C)F 34a_100015925927_100012232248 [0,1,0,0,0,0|3,0,0]=4 3948 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [0,1,0,0,0,0|2,0,0]=3 3949 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [0,1,0,0,0,0|2,0,0]=3 3950 B10R0.4 CCOCCCOCC(F)F 34a_100000743014_100012232248 [0,1,0,0,0,0|3,0,0]=4 3951 B10R0.4 CCOCCCOCC(F)F 34a_100000757476_100011934356 [0,1,0,0,0,0|3,0,0]=4 3952 B10R0.4 CCOCCCOCC(F)F 7a_100000757476_100011934356 [0,1,0,0,0,0|3,0,0]=4 3953 B10R0.4 CCOCCCOC[C@@H](C)Cl 34a_100016084084_100012232248 [0,1,0,0,0,0|3,0,0]=4 3954 B10R0.4 CCOCCCOC[C@@H](C)N 34a_100000737577_100012232248 [0,1,0,0,0,0|3,0,0]=4 3955 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [0,1,0,0,0,0|2,0,0]=3 3956 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [0,1,0,0,0,0|2,0,0]=3 3957 B10R0.4 CCOCCCSCC(C)C 62a_100000210624_100012232248 [0,1,0,0,0,0|3,0,0]=4 3958 B10R0.4 CCOCCCSCC(C)C 62a_100012232248_100000210760 [0,1,0,0,0,0|3,0,0]=4 3959 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [0,1,0,0,0,0|2,0,0]=3 3960 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [0,1,0,0,0,0|2,0,0]=3 3961 B10R0.4 CCOCCCSCC(F)F 62a_100011934356_100012232248 [0,1,0,0,0,0|3,0,0]=4 3962 B10R0.4 CCOCCCSCC(F)F 62a_100012232248_100011934356 [0,1,0,0,0,0|3,0,0]=4 3963 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [0,1,0,0,0,0|2,0,0]=3 3964 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [0,1,0,0,0,0|2,0,0]=3 3965 B10R0.4 CCOCCNCCC(C)C 2230a_102516460346_100000210312 [0,1,0,0,0,0|3,0,0]=4 3966 B10R0.4 CCOCCNCCC(C)C 269862a_100011200944_100000185833 [0,1,0,0,0,0|3,0,0]=4 3967 B10R0.4 CCOCCNCCC(C)C 34a_102516460346_100000210312 [0,1,0,0,0,0|3,0,0]=4 3968 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [0,1,0,0,0,0|2,0,0]=3 3969 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [0,1,0,0,0,0|2,0,0]=3 3970 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [0,1,0,0,0,0|2,0,0]=3 3971 B10R0.4 CCOCCOCCC(C)Br 34a_100009893172_100000210147 [0,1,0,0,0,0|3,0,0]=4 3972 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [0,1,0,0,0,0|3,0,0]=4 3973 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [0,1,0,0,0,0|3,0,0]=4 3974 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [0,1,0,0,0,0|3,0,0]=4 3975 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [0,1,0,0,0,0|3,0,0]=4 3976 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [0,1,0,0,0,0|2,0,0]=3 3977 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [0,1,0,0,0,0|2,0,0]=3 3978 B10R0.4 CCOCCOCCC(F)F 34a_100103093639_100000210147 [0,1,0,0,0,0|3,0,0]=4 3979 B10R0.4 CCOCCOCC[C@@H](C)N 34a_100000706166_100000210147 [0,1,0,0,0,0|3,0,0]=4 3980 B10R0.4 CCOCCSCCC(C)C 62a_100000210147_100000210312 [0,1,0,0,0,0|3,0,0]=4 3981 B10R0.4 CCOCCSCCC(C)C 62a_100000210312_100011215890 [0,1,0,0,0,0|3,0,0]=4 3982 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [0,1,0,0,0,0|2,0,0]=3 3983 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [0,1,0,0,0,0|2,0,0]=3 3984 B10R0.4 CCOCSCCCC(C)C 62a_100000739092_100011214892 [0,1,0,0,0,0|3,0,0]=4 3985 B10R0.4 CCOCSCCCC(C)C 62a_100011214892_100000739092 [0,1,0,0,0,0|3,0,0]=4 3986 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [0,1,0,0,0,0|2,0,0]=3 3987 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [0,1,0,0,0,0|2,0,0]=3 3988 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [0,1,0,0,0,0|2,0,0]=3 3989 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [0,1,0,0,0,0|2,0,0]=3 3990 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,1,0,0,0,0|1,0,2]=4 3991 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,1,0,0,0,0|1,0,2]=4 3992 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [0,1,0,0,0,0|2,0,0]=3 3993 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [0,1,0,0,0,0|2,0,0]=3 3994 B10R0.4 CCSCCCOCC(C)C 34a_100011216438_100000210624 [0,1,0,0,0,0|3,0,0]=4 3995 B10R0.4 CCSCCCOCC(C)C 7a_100011216438_100000210760 [0,1,0,0,0,0|3,0,0]=4 3996 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [0,1,0,0,0,0|2,0,0]=3 3997 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [0,1,0,0,0,0|2,0,0]=3 3998 B10R0.4 CCSCCCOCC(F)F 34a_100011216438_100011934356 [0,1,0,0,0,0|3,0,0]=4 3999 B10R0.4 CCSCCCOCC(F)F 7a_100011216438_100011934356 [0,1,0,0,0,0|3,0,0]=4 4000 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [0,1,0,0,0,0|2,0,0]=3 4001 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [0,1,0,0,0,0|2,0,0]=3 4002 B10R0.4 CCSCCNCCC(C)C 2230a_100000106463_100000210312 [0,1,0,0,0,0|3,0,0]=4 4003 B10R0.4 CCSCCNCCC(C)C 269862a_100000106463_100000185833 [0,1,0,0,0,0|3,0,0]=4 4004 B10R0.4 CCSCCNCCC(C)O 2230a_100000106463_100012276601 [0,1,0,0,0,0|2,0,0]=3 4005 B10R0.4 CCSCCNCCC(C)O 2230a_200000755665_100000757381 [0,1,0,0,0,0|2,0,0]=3 4006 B10R0.4 CCSCCOCCC(C)Br 34a_100009893172_100000757381 [0,1,0,0,0,0|3,0,0]=4 4007 B10R0.4 CCSCCOCCC(C)C 34a_100000210254_100000757381 [0,1,0,0,0,0|3,0,0]=4 4008 B10R0.4 CCSCCOCCC(C)C 34a_100000212035_100000210312 [0,1,0,0,0,0|3,0,0]=4 4009 B10R0.4 CCSCCOCCC(C)C 7a_100000210254_100000757381 [0,1,0,0,0,0|3,0,0]=4 4010 B10R0.4 CCSCCOCCC(C)C 7a_100000212035_100000210626 [0,1,0,0,0,0|3,0,0]=4 4011 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [0,1,0,0,0,0|2,0,0]=3 4012 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [0,1,0,0,0,0|2,0,0]=3 4013 B10R0.4 CCSCCOCCC(F)F 34a_100103093639_100000757381 [0,1,0,0,0,0|3,0,0]=4 4014 B10R0.4 CCSCCOCC[C@@H](C)N 34a_100000706166_100000757381 [0,1,0,0,0,0|3,0,0]=4 4015 B10R0.4 CCSCCSCCC(C)C 62a_100000210312_100000757381 [0,1,0,0,0,0|3,0,0]=4 4016 B10R0.4 CCSCCSCCC(C)C 62a_100000757381_100000210312 [0,1,0,0,0,0|3,0,0]=4 4017 B10R0.4 CCSCCSCCC(C)O 62a_100000757381_100012276601 [0,1,0,0,0,0|2,0,0]=3 4018 B10R0.4 CCSCCSCCC(C)O 62a_100012276601_100000757381 [0,1,0,0,0,0|2,0,0]=3 4019 B10R0.4 CN(C)CCCCCCC#N 2230a_100102631434_100009813337 [0,1,0,0,0,0|2,0,1]=4 4020 B10R0.4 CN(C)CCCCCCC#N 269982a_100102631434_100009813337 [0,1,0,0,0,0|2,0,1]=4 4021 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,1,0,0,0,0|1,0,0]=2 4022 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,1,0,0,0,0|1,0,0]=2 4023 B10R0.4 CN(C)CCCCSCCF 62a_100011217306_100000690147 [0,1,0,0,0,0|3,0,0]=4 4024 B10R0.4 CN(C)CCCCSCCO 62a_100000211926_100000690147 [0,1,0,0,0,0|2,0,0]=3 4025 B10R0.4 CN(C)CCCSCCCF 62a_100011934791_100000757444 [0,1,0,0,0,0|3,0,0]=4 4026 B10R0.4 CN(C)CCCSCCCO 62a_100011215043_100000757444 [0,1,0,0,0,0|2,0,0]=3 4027 B10R0.4 CN(C)CCOCCCCCl 7a_100000210776_100000755713 [0,1,0,0,0,0|3,0,0]=4 4028 B10R0.4 CN(C)CCOCCCCF 7a_100011995726_100000755713 [0,1,0,0,0,0|3,0,0]=4 4029 B10R0.4 CN(C)CCSCCCCF 62a_100000729493_100000755713 [0,1,0,0,0,0|3,0,0]=4 4030 B10R0.4 CN(C)CCSCCCCO 62a_100000210776_100000755713 [0,1,0,0,0,0|2,0,0]=3 4031 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [0,1,0,0,0,0|2,0,0]=3 4032 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [0,1,0,0,0,0|2,0,0]=3 4033 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [0,1,0,0,0,0|2,0,0]=3 4034 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [0,1,0,0,0,0|2,0,0]=3 4035 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [0,1,0,0,0,0|2,0,0]=3 4036 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [0,1,0,0,0,0|3,0,0]=4 4037 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [0,1,0,0,0,0|3,0,0]=4 4038 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [0,1,0,0,0,0|2,0,0]=3 4039 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [0,1,0,0,0,0|2,0,0]=3 4040 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,1,0,0,0,0|1,0,2]=4 4041 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [0,1,0,0,0,0|3,0,0]=4 4042 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [0,1,0,0,0,0|3,0,0]=4 4043 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [0,1,0,0,0,0|3,0,0]=4 4044 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [0,1,0,0,0,0|3,0,0]=4 4045 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [0,1,0,0,0,0|3,0,0]=4 4046 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,1,0,0,0,0|2,0,1]=4 4047 B10R0.4 COCCCCNCC(C)C 2230a_100000210953_100000730899 [0,1,0,0,0,0|3,0,0]=4 4048 B10R0.4 COCCCCNCC(C)C 34a_100000210953_100000755781 [0,1,0,0,0,0|3,0,0]=4 4049 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [0,1,0,0,0,0|2,0,0]=3 4050 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [0,1,0,0,0,0|2,0,0]=3 4051 B10R0.4 COCCCCNCC(F)F 34a_100000765723_100000755781 [0,1,0,0,0,0|3,0,0]=4 4052 B10R0.4 COCCCCOCC(C)Br 34a_100012180447_100000755781 [0,1,0,0,0,0|3,0,0]=4 4053 B10R0.4 COCCCCOCC(C)C 34a_100000210257_100000755781 [0,1,0,0,0,0|3,0,0]=4 4054 B10R0.4 COCCCCOCC(C)C 34a_100000740925_100000210624 [0,1,0,0,0,0|3,0,0]=4 4055 B10R0.4 COCCCCOCC(C)F 34a_100015925927_100000755781 [0,1,0,0,0,0|3,0,0]=4 4056 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,1,0,0,0,0|2,0,0]=3 4057 B10R0.4 COCCCCOCC(F)F 34a_100000740925_100011934356 [0,1,0,0,0,0|3,0,0]=4 4058 B10R0.4 COCCCCOCC(F)F 34a_100000743014_100000755781 [0,1,0,0,0,0|3,0,0]=4 4059 B10R0.4 COCCCCOC[C@@H](C)Cl 34a_100016084084_100000755781 [0,1,0,0,0,0|3,0,0]=4 4060 B10R0.4 COCCCCOC[C@@H](C)N 34a_100000737577_100000755781 [0,1,0,0,0,0|3,0,0]=4 4061 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,1,0,0,0,0|2,0,0]=3 4062 B10R0.4 COCCCCSCC(C)C 62a_100000210624_100000730899 [0,1,0,0,0,0|3,0,0]=4 4063 B10R0.4 COCCCCSCC(C)C 62a_100000730899_100000210760 [0,1,0,0,0,0|3,0,0]=4 4064 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [0,1,0,0,0,0|2,0,0]=3 4065 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [0,1,0,0,0,0|2,0,0]=3 4066 B10R0.4 COCCCCSCC(F)F 62a_100000730899_100011934356 [0,1,0,0,0,0|3,0,0]=4 4067 B10R0.4 COCCCCSCC(F)F 62a_100011934356_100000730899 [0,1,0,0,0,0|3,0,0]=4 4068 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [0,1,0,0,0,0|2,0,0]=3 4069 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [0,1,0,0,0,0|2,0,0]=3 4070 B10R0.4 COCCCNCCC(C)C 269862a_100150723488_100000185833 [0,1,0,0,0,0|3,0,0]=4 4071 B10R0.4 COCCCNCCC(C)C 34a_100150723488_100000210312 [0,1,0,0,0,0|3,0,0]=4 4072 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [0,1,0,0,0,0|2,0,0]=3 4073 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [0,1,0,0,0,0|2,0,0]=3 4074 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [0,1,0,0,0,0|3,0,0]=4 4075 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [0,1,0,0,0,0|3,0,0]=4 4076 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [0,1,0,0,0,0|3,0,0]=4 4077 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [0,1,0,0,0,0|3,0,0]=4 4078 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [0,1,0,0,0,0|2,0,0]=3 4079 B10R0.4 COCCCOCCC(F)F 34a_100103093639_100000740836 [0,1,0,0,0,0|3,0,0]=4 4080 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [0,1,0,0,0,0|3,0,0]=4 4081 B10R0.4 COCCCSCCC(C)C 62a_100000210312_100000709357 [0,1,0,0,0,0|3,0,0]=4 4082 B10R0.4 COCCCSCCC(C)C 62a_100000709357_100000210312 [0,1,0,0,0,0|3,0,0]=4 4083 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [0,1,0,0,0,0|2,0,0]=3 4084 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [0,1,0,0,0,0|2,0,0]=3 4085 B10R0.4 COCCNCCCC(C)C 2230a_100000209980_100011214892 [0,1,0,0,0,0|3,0,0]=4 4086 B10R0.4 COCCNCCCC(C)C 2230a_200000737386_100011201679 [0,1,0,0,0,0|3,0,0]=4 4087 B10R0.4 COCCNCCCC(C)C 34a_200000737386_100011201679 [0,1,0,0,0,0|3,0,0]=4 4088 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [0,1,0,0,0,0|2,0,0]=3 4089 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [0,1,0,0,0,0|3,0,0]=4 4090 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [0,1,0,0,0,0|3,0,0]=4 4091 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [0,1,0,0,0,0|3,0,0]=4 4092 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [0,1,0,0,0,0|2,0,0]=3 4093 B10R0.4 COCCOCNCC(C)O 2230a_100000210904_100000231047 [0,1,0,0,0,0|3,0,0]=4 4094 B10R0.4 COCCOCSCC(C)O 62a_100000231047_100011218427 [0,1,0,0,0,0|3,0,0]=4 4095 B10R0.4 COCCOCSCC(C)O 62a_100011218427_100000231047 [0,1,0,0,0,0|3,0,0]=4 4096 B10R0.4 COCCOCSC[C@@H](C)O 62a_100000231047_100009817552 [0,1,0,0,0,0|3,0,0]=4 4097 B10R0.4 COCCOCSC[C@@H](C)O 62a_100009817552_100000231047 [0,1,0,0,0,0|3,0,0]=4 4098 B10R0.4 COCCSCCCC(C)C 62a_100000233755_100011214892 [0,1,0,0,0,0|3,0,0]=4 4099 B10R0.4 COCCSCCCC(C)C 62a_100011214892_100000233755 [0,1,0,0,0,0|3,0,0]=4 4100 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [0,1,0,0,0,0|2,0,0]=3 4101 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [0,1,0,0,0,0|2,0,0]=3 4102 B10R0.4 COCSCCCCB(O)O 62a_100000766300_200009817182 [0,1,0,0,0,0|3,0,0]=4 4103 B10R0.4 COCSCCCCB(O)O 62a_200009817182_100000766300 [0,1,0,0,0,0|3,0,0]=4 4104 B10R0.4 COCSCCCCC(C)C 62a_100000766300_100011216152 [0,1,0,0,0,0|3,0,0]=4 4105 B10R0.4 COCSCCCCC(C)C 62a_100011216152_100000766300 [0,1,0,0,0,0|3,0,0]=4 4106 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,1,0,0,0,0|3,0,0]=4 4107 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,1,0,0,0,0|2,0,0]=3 4108 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [0,1,0,0,0,0|2,0,0]=3 4109 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [0,1,0,0,0,0|2,0,0]=3 4110 B10R0.4 CSCCCCOCC(C)C 34a_100011217163_100000210624 [0,1,0,0,0,0|3,0,0]=4 4111 B10R0.4 CSCCCCOCC(C)C 7a_100011217163_100000210760 [0,1,0,0,0,0|3,0,0]=4 4112 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,1,0,0,0,0|2,0,0]=3 4113 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,1,0,0,0,0|2,0,0]=3 4114 B10R0.4 CSCCCCOCC(F)F 34a_100011217163_100011934356 [0,1,0,0,0,0|3,0,0]=4 4115 B10R0.4 CSCCCCOCC(F)F 7a_100011217163_100011934356 [0,1,0,0,0,0|3,0,0]=4 4116 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,1,0,0,0,0|2,0,0]=3 4117 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,1,0,0,0,0|2,0,0]=3 4118 B10R0.4 CSCCCNCCC(C)C 2230a_100000749238_100000210312 [0,1,0,0,0,0|3,0,0]=4 4119 B10R0.4 CSCCCNCCC(C)C 269862a_100000749238_100000185833 [0,1,0,0,0,0|3,0,0]=4 4120 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [0,1,0,0,0,0|2,0,0]=3 4121 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [0,1,0,0,0,0|3,0,0]=4 4122 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [0,1,0,0,0,0|3,0,0]=4 4123 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [0,1,0,0,0,0|2,0,0]=3 4124 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [0,1,0,0,0,0|2,0,0]=3 4125 B10R0.4 CSCCNCCCC(C)C 2230a_100020590264_100011214892 [0,1,0,0,0,0|3,0,0]=4 4126 B10R0.4 CSCCNCCCC(C)C 2230a_200000737386_100000751147 [0,1,0,0,0,0|3,0,0]=4 4127 B10R0.4 CSCCNCCCC(C)C 34a_200000737386_100000212216 [0,1,0,0,0,0|3,0,0]=4 4128 B10R0.4 CSCCNCCCC(C)O 2230a_100020590264_200000718107 [0,1,0,0,0,0|2,0,0]=3 4129 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [0,1,0,0,0,0|3,0,0]=4 4130 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [0,1,0,0,0,0|3,0,0]=4 4131 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [0,1,0,0,0,0|3,0,0]=4 4132 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [0,1,0,0,0,0|3,0,0]=4 4133 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [0,1,0,0,0,0|2,0,0]=3 4134 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [0,1,0,0,0,0|2,0,0]=3 4135 B10R0.4 CSCCSCCCC(C)C 62a_100000212216_100011214892 [0,1,0,0,0,0|3,0,0]=4 4136 B10R0.4 CSCCSCCCC(C)C 62a_100011214892_100000751147 [0,1,0,0,0,0|3,0,0]=4 4137 B10R0.4 CSCCSCCCC(C)O 62a_100000212216_200000718107 [0,1,0,0,0,0|2,0,0]=3 4138 B10R0.4 CSCCSCCCC(C)O 62a_200000718107_100000751147 [0,1,0,0,0,0|2,0,0]=3 4139 B10R0.4 CSCOCCCCC(C)C 34a_100011214890_100011218213 [0,1,0,0,0,0|3,0,0]=4 4140 B10R0.4 CSCSCCCCB(O)O 62a_100011218213_200009817182 [0,1,0,0,0,0|3,0,0]=4 4141 B10R0.4 CSCSCCCCB(O)O 62a_200009817182_100011218213 [0,1,0,0,0,0|3,0,0]=4 4142 B10R0.4 CSCSCCCCC(C)C 62a_100011216152_100011218213 [0,1,0,0,0,0|3,0,0]=4 4143 B10R0.4 CSCSCCCCC(C)C 62a_100011218213_100011216152 [0,1,0,0,0,0|3,0,0]=4 4144 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [0,1,0,0,0,0|2,0,0]=3 4145 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [0,1,0,0,0,0|1,0,0]=2 4146 B10R0.4 C[C@@H](Cl)COCCOCCO 34a_100016084084_100000692535 [0,1,0,0,0,0|2,0,0]=3 4147 B10R0.4 C[C@@H](N)CCOCC#CCO 34a_100000706166_200000047223 [0,1,0,0,0,0|1,0,2]=4 4148 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [0,1,0,0,0,0|2,0,0]=3 4149 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [0,1,0,0,0,0|1,0,0]=2 4150 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [0,1,0,0,0,0|2,0,0]=3 4151 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [0,1,0,0,0,0|1,0,0]=2 4152 B10R0.4 C[C@@H](N)COCCOCCO 34a_100000737577_100000692535 [0,1,0,0,0,0|2,0,0]=3 4153 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,1,0,0,0,0|1,0,0]=2 4154 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,1,0,0,0,0|1,0,0]=2 4155 B10R0.4 C[C@@H](O)CNCCOCCO 2230a_100000211614_100009817552 [0,1,0,0,0,0|2,0,0]=3 4156 B10R0.4 C[C@@H](O)CNCCOCCO 34a_100000211614_100009817552 [0,1,0,0,0,0|2,0,0]=3 4157 B10R0.4 C[C@@H](O)CNCCSCCO 2230a_100011219999_100009817552 [0,1,0,0,0,0|2,0,0]=3 4158 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,1,0,0,0,0|2,0,0]=3 4159 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,1,0,0,0,0|2,0,0]=3 4160 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,1,0,0,0,0|2,0,0]=3 4161 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,1,0,0,0,0|2,0,0]=3 4162 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,1,0,0,0,0|2,0,0]=3 4163 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,1,0,0,0,0|2,0,0]=3 4164 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,1,0,0,0,0|2,0,0]=3 4165 B10R0.4 C[C@@H](O)COCCOCCBr 34a_100000692535_100009817552 [0,1,0,0,0,0|3,0,0]=4 4166 B10R0.4 C[C@@H](O)COCCOCCBr 7a_100000692535_100009817552 [0,1,0,0,0,0|3,0,0]=4 4167 B10R0.4 C[C@@H](O)COCCOCCCl 34a_100011215305_100009817552 [0,1,0,0,0,0|3,0,0]=4 4168 B10R0.4 C[C@@H](O)COCCOCCCl 7a_100011215305_100009817552 [0,1,0,0,0,0|3,0,0]=4 4169 B10R0.4 C[C@@H](O)COCCOCCF 34a_200015357709_100009817552 [0,1,0,0,0,0|3,0,0]=4 4170 B10R0.4 C[C@@H](O)COCCOCCF 7a_200015357709_100009817552 [0,1,0,0,0,0|3,0,0]=4 4171 B10R0.4 C[C@@H](O)COCCOCCI 34a_100012149058_100009817552 [0,1,0,0,0,0|3,0,0]=4 4172 B10R0.4 C[C@@H](O)COCCOCCI 7a_100012149058_100009817552 [0,1,0,0,0,0|3,0,0]=4 4173 B10R0.4 C[C@@H](O)COCCOCCN 34a_100000211614_100009817552 [0,1,0,0,0,0|3,0,0]=4 4174 B10R0.4 C[C@@H](O)CSCCCCC#N 62a_100009817552_100000211819 [0,1,0,0,0,0|2,0,1]=4 4175 B10R0.4 C[C@@H](O)CSCCCCC#N 62a_100011219923_100009817552 [0,1,0,0,0,0|2,0,1]=4 4176 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [0,1,0,0,0,0|1,0,2]=4 4177 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [0,1,0,0,0,0|1,0,2]=4 4178 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,1,0,0,0,0|2,0,0]=3 4179 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,1,0,0,0,0|2,0,0]=3 4180 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,1,0,0,0,0|1,0,0]=2 4181 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,1,0,0,0,0|1,0,0]=2 4182 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100009817552_100011215305 [0,1,0,0,0,0|2,0,0]=3 4183 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100011215305_100009817552 [0,1,0,0,0,0|2,0,0]=3 4184 B10R0.4 FC(F)COCCCCCBr 34a_100000746331_100011934356 [0,1,0,0,0,0|3,0,0]=4 4185 B10R0.4 FC(F)COCCCCCBr 7a_100000746331_100011934356 [0,1,0,0,0,0|3,0,0]=4 4186 B10R0.4 FC(F)COCCCCCCl 34a_100000746330_100011934356 [0,1,0,0,0,0|3,0,0]=4 4187 B10R0.4 FC(F)COCCCCCCl 7a_100000746330_100011934356 [0,1,0,0,0,0|3,0,0]=4 4188 B10R0.4 FC(F)COCCCCCI 34a_200012148887_100011934356 [0,1,0,0,0,0|3,0,0]=4 4189 B10R0.4 FC(F)COCCCCCI 7a_200012148887_100011934356 [0,1,0,0,0,0|3,0,0]=4 4190 B10R0.4 FCCCCCNCC(F)F 34a_100000765723_100000729378 [0,1,0,0,0,0|3,0,0]=4 4191 B10R0.4 FCCCCCOCC(F)F 34a_100000743014_100000729378 [0,1,0,0,0,0|3,0,0]=4 4192 B10R0.4 FCCCCCSCC(F)F 62a_100000729378_100011934356 [0,1,0,0,0,0|3,0,0]=4 4193 B10R0.4 FCCCCCSCC(F)F 62a_100011934356_100000729378 [0,1,0,0,0,0|3,0,0]=4 4194 B10R0.4 FCCCCOCCC(F)F 34a_100103093639_100000729493 [0,1,0,0,0,0|3,0,0]=4 4195 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,1,0,0,0,0|2,0,1]=4 4196 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,1,0,0,0,0|2,0,1]=4 4197 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,1,0,0,0,0|2,0,1]=4 4198 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,1,0,0,0,0|2,0,1]=4 4199 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,1,0,0,0,0|2,0,1]=4 4200 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,1,0,0,0,0|2,0,1]=4 4201 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,1,0,0,0,0|2,0,1]=4 4202 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,1,0,0,0,0|2,0,1]=4 4203 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,1,0,0,0,0|2,0,1]=4 4204 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,1,0,0,0,0|2,0,1]=4 4205 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,1,0,0,0,0|2,0,1]=4 4206 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,1,0,0,0,0|2,0,1]=4 4207 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,1,0,0,0,0|2,0,1]=4 4208 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,1,0,0,0,0|2,0,1]=4 4209 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,1,0,0,0,0|2,0,1]=4 4210 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,1,0,0,0,0|2,0,1]=4 4211 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,1,0,0,0,0|2,0,1]=4 4212 B10R0.4 NCCCCCOCC(F)F 34a_100000762737_100011934356 [0,1,0,0,0,0|3,0,0]=4 4213 B10R0.4 NCCOCCCCB(O)O 34a_100000210304_200009817182 [0,1,0,0,0,0|3,0,0]=4 4214 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,1,0,0,0,0|2,0,1]=4 4215 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,1,0,0,0,0|2,0,1]=4 4216 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,1,0,0,0,0|2,0,1]=4 4217 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,1,0,0,0,0|2,0,1]=4 4218 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,1,0,0,0,0|2,0,1]=4 4219 B10R0.4 O=[N+]([O-])CCCCOCCO 34a_200015379883_100000211926 [0,1,0,0,0,0|3,0,0]=4 4220 B10R0.4 O=[N+]([O-])CCCCOCCO 7a_200015379883_100000211926 [0,1,0,0,0,0|3,0,0]=4 4221 B10R0.4 O=[N+]([O-])CCCOCCCO 34a_200000037920_100000230001 [0,1,0,0,0,0|3,0,0]=4 4222 B10R0.4 O=[N+]([O-])CNCCCCCO 34a_100000762737_100000761209 [0,1,0,0,0,0|3,0,0]=4 4223 B10R0.4 O=[N+]([O-])CSCCCCCO 62a_100000746330_100000761209 [0,1,0,0,0,0|3,0,0]=4 4224 B10R0.4 OB(O)CCCCCSCF 62a_100015361967_200009817188 [0,1,0,0,0,0|3,0,0]=4 4225 B10R0.4 OB(O)CCCCCSCF 62a_200009817188_100015361967 [0,1,0,0,0,0|3,0,0]=4 4226 B10R0.4 OB(O)CCCCNCCF 34a_100000724931_200009817182 [0,1,0,0,0,0|3,0,0]=4 4227 B10R0.4 OB(O)CCCCOCCBr 34a_100000211926_200009817182 [0,1,0,0,0,0|3,0,0]=4 4228 B10R0.4 OB(O)CCCCSCCF 62a_100011217306_200009817182 [0,1,0,0,0,0|3,0,0]=4 4229 B10R0.4 OB(O)CCCCSCCF 62a_200009817182_100011217306 [0,1,0,0,0,0|3,0,0]=4 4230 B10R0.4 OCCCCCNCC(F)F 2230a_100000762737_100011934356 [0,1,0,0,0,0|2,0,0]=3 4231 B10R0.4 OCCCCCNCC(F)F 34a_100000762737_100011934356 [0,1,0,0,0,0|2,0,0]=3 4232 B10R0.4 OCCCCCNCC(F)F 34a_100000765723_100000746330 [0,1,0,0,0,0|2,0,0]=3 4233 B10R0.4 OCCCCCOCC(F)F 34a_100000743014_100000746330 [0,1,0,0,0,0|2,0,0]=3 4234 B10R0.4 OCCCCCSCC(F)F 62a_100000746330_100011934356 [0,1,0,0,0,0|2,0,0]=3 4235 B10R0.4 OCCCCCSCC(F)F 62a_100011934356_100000746330 [0,1,0,0,0,0|2,0,0]=3 4236 B10R0.4 OCCCCOCCC(F)F 34a_100103093639_100011216708 [0,1,0,0,0,0|2,0,0]=3 4237 B10R0.4 OCCNCCCCB(O)O 2230a_100016997473_200009817182 [0,1,0,0,0,0|3,0,0]=4 4238 B10R0.4 OCCNCCCCB(O)O 34a_100016990907_200009817182 [0,1,0,0,0,0|3,0,0]=4 4239 B10R0.4 OCCNCCOCC(F)F 2230a_100016997473_200012177212 [0,1,0,0,0,0|3,0,0]=4 4240 B10R0.4 OCCNCCOCC(F)F 34a_100016990907_200012177212 [0,1,0,0,0,0|3,0,0]=4 4241 B10R0.4 OCCOCCNCC(F)F 2230a_100000211614_100011934356 [0,1,0,0,0,0|3,0,0]=4 4242 B10R0.4 OCCOCCNCC(F)F 34a_100000211614_100011934356 [0,1,0,0,0,0|3,0,0]=4 4243 B10R0.4 OCCOCCNCC(F)F 34a_100000765723_100000692535 [0,1,0,0,0,0|3,0,0]=4 4244 B10R0.4 OCCOCCOCC(F)F 34a_100000704375_100000211926 [0,1,0,0,0,0|3,0,0]=4 4245 B10R0.4 OCCOCCOCC(F)F 34a_100000743014_100000692535 [0,1,0,0,0,0|3,0,0]=4 4246 B10R0.4 OCCOCCOCC(F)F 7a_100000704375_100000211926 [0,1,0,0,0,0|3,0,0]=4 4247 B10R0.4 OCCOCCSCC(F)F 62a_100011215305_100011934356 [0,1,0,0,0,0|3,0,0]=4 4248 B10R0.4 OCCOCCSCC(F)F 62a_100011934356_100011215305 [0,1,0,0,0,0|3,0,0]=4 4249 B10R0.4 OCCSCCCCB(O)O 62a_100000211926_200009817182 [0,1,0,0,0,0|3,0,0]=4 4250 B10R0.4 OCCSCCCCB(O)O 62a_200009817182_100000211926 [0,1,0,0,0,0|3,0,0]=4 4251 B10R0.4 OCCSCCNCC(F)F 2230a_100011219999_100011934356 [0,1,0,0,0,0|3,0,0]=4 4252 B10R0.4 OCCSCCOCC(F)F 62a_100000211926_200012177212 [0,1,0,0,0,0|3,0,0]=4 4253 B10R0.4 OCCSCCOCC(F)F 62a_200012177212_100000211926 [0,1,0,0,0,0|3,0,0]=4 4254 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,0,0,0,0|0,0,1]=2 4255 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,1,0,0,0,0|2,0,1]=4 4256 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [0,1,0,0,0,0|2,0,0]=3 4257 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [0,1,0,0,0,0|2,0,0]=3 4258 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [0,1,0,0,0,0|1,0,1]=3 4259 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [0,1,0,0,0,0|1,0,1]=3 4260 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [0,1,0,0,0,0|1,0,1]=3 4261 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [0,1,0,0,0,0|0,0,2]=3 4262 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [0,1,0,0,0,0|0,0,2]=3 4263 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [0,1,0,0,0,0|0,0,2]=3 4264 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [0,1,0,0,0,0|0,0,2]=3 4265 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [0,1,0,0,0,0|0,0,2]=3 4266 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [0,1,0,0,0,0|1,0,1]=3 4267 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [0,1,0,0,0,0|1,0,1]=3 4268 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [0,1,0,0,0,0|1,0,1]=3 4269 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [0,1,0,0,0,0|1,0,1]=3 4270 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [0,1,0,0,0,0|1,0,1]=3 4271 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [0,1,0,0,0,0|1,0,1]=3 4272 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [0,1,0,0,0,0|1,0,1]=3 4273 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [0,1,0,0,0,0|1,0,1]=3 4274 B10R0.71 C#CCCCCCCOCF 34a_100011217361_100015361967 [0,1,0,0,0,0|1,0,2]=4 4275 B10R0.71 C#CCCCCCCOCF 7a_100011217361_100015361967 [0,1,0,0,0,0|1,0,2]=4 4276 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [0,1,0,0,0,0|1,0,1]=3 4277 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [0,1,0,0,0,0|1,0,1]=3 4278 B10R0.71 C#CCCCCCCSCF 62a_100012276617_100015361967 [0,1,0,0,0,0|1,0,2]=4 4279 B10R0.71 C#CCCCCCCSCF 62a_100015361967_100012276617 [0,1,0,0,0,0|1,0,2]=4 4280 B10R0.71 C#CCCCCCNCCF 34a_100000724931_100012094781 [0,1,0,0,0,0|1,0,2]=4 4281 B10R0.71 C#CCCCCCNCCO 2230a_100016997473_100012094781 [0,1,0,0,0,0|0,0,2]=3 4282 B10R0.71 C#CCCCCCNCCO 34a_100016990907_100012094781 [0,1,0,0,0,0|0,0,2]=3 4283 B10R0.71 C#CCCCCCOCCBr 34a_100000211926_100012094781 [0,1,0,0,0,0|1,0,2]=4 4284 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [0,1,0,0,0,0|1,0,1]=3 4285 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [0,1,0,0,0,0|1,0,1]=3 4286 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [0,1,0,0,0,0|1,0,1]=3 4287 B10R0.71 C#CCCCCCOCCF 34a_100000766912_100011217306 [0,1,0,0,0,0|1,0,2]=4 4288 B10R0.71 C#CCCCCCOCCF 7a_100000766912_100011217306 [0,1,0,0,0,0|1,0,2]=4 4289 B10R0.71 C#CCCCCCOCCN 34a_100000210304_100012094781 [0,1,0,0,0,0|1,0,2]=4 4290 B10R0.71 C#CCCCCCOCCO 34a_100000766912_100000211926 [0,1,0,0,0,0|0,0,2]=3 4291 B10R0.71 C#CCCCCCOCCO 7a_100000766912_100000211926 [0,1,0,0,0,0|0,0,2]=3 4292 B10R0.71 C#CCCCCCOCSC 34a_100000766912_100011218213 [0,1,0,0,0,0|2,0,1]=4 4293 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [0,1,0,0,0,0|1,0,1]=3 4294 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [0,1,0,0,0,0|1,0,1]=3 4295 B10R0.71 C#CCCCCCSCCF 62a_100011217306_100012094781 [0,1,0,0,0,0|1,0,2]=4 4296 B10R0.71 C#CCCCCCSCCF 62a_100012094781_100011217306 [0,1,0,0,0,0|1,0,2]=4 4297 B10R0.71 C#CCCCCCSCCO 62a_100000211926_100012094781 [0,1,0,0,0,0|0,0,2]=3 4298 B10R0.71 C#CCCCCCSCCO 62a_100012094781_100000211926 [0,1,0,0,0,0|0,0,2]=3 4299 B10R0.71 C#CCCCCCSCOC 62a_100000766300_100012094781 [0,1,0,0,0,0|1,0,2]=4 4300 B10R0.71 C#CCCCCCSCOC 62a_100012094781_100000766300 [0,1,0,0,0,0|1,0,2]=4 4301 B10R0.71 C#CCCCCCSCSC 62a_100011218213_100012094781 [0,1,0,0,0,0|2,0,1]=4 4302 B10R0.71 C#CCCCCCSCSC 62a_100012094781_100011218213 [0,1,0,0,0,0|2,0,1]=4 4303 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [0,1,0,0,0,0|1,0,1]=3 4304 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [0,1,0,0,0,0|1,0,1]=3 4305 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [0,1,0,0,0,0|1,0,1]=3 4306 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [0,1,0,0,0,0|1,0,1]=3 4307 B10R0.71 C#CCCCCNCCCF 2230a_100000706060_100011934791 [0,1,0,0,0,0|1,0,2]=4 4308 B10R0.71 C#CCCCCNCCCF 2230a_100015189416_100010269958 [0,1,0,0,0,0|1,0,2]=4 4309 B10R0.71 C#CCCCCNCCCF 34a_100000706060_100011934791 [0,1,0,0,0,0|1,0,2]=4 4310 B10R0.71 C#CCCCCNCCCF 34a_100015189416_100010269958 [0,1,0,0,0,0|1,0,2]=4 4311 B10R0.71 C#CCCCCNCCCO 2230a_100000706060_100000230001 [0,1,0,0,0,0|0,0,2]=3 4312 B10R0.71 C#CCCCCNCCCO 34a_100000706060_100000230001 [0,1,0,0,0,0|0,0,2]=3 4313 B10R0.71 C#CCCCCNCCOC 2230a_100000209980_100010269958 [0,1,0,0,0,0|1,0,2]=4 4314 B10R0.71 C#CCCCCNCCOC 2230a_100000706060_100011201679 [0,1,0,0,0,0|1,0,2]=4 4315 B10R0.71 C#CCCCCNCCOC 34a_100000706060_100011201679 [0,1,0,0,0,0|1,0,2]=4 4316 B10R0.71 C#CCCCCNCCSC 2230a_100000706060_100000751147 [0,1,0,0,0,0|2,0,1]=4 4317 B10R0.71 C#CCCCCNCCSC 2230a_100020590264_100010269958 [0,1,0,0,0,0|2,0,1]=4 4318 B10R0.71 C#CCCCCNCCSC 34a_100000706060_100000212216 [0,1,0,0,0,0|2,0,1]=4 4319 B10R0.71 C#CCCCCOCCCBr 34a_100011217188_100010269958 [0,1,0,0,0,0|1,0,2]=4 4320 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [0,1,0,0,0,0|1,0,1]=3 4321 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [0,1,0,0,0,0|1,0,1]=3 4322 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [0,1,0,0,0,0|1,0,1]=3 4323 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [0,1,0,0,0,0|1,0,1]=3 4324 B10R0.71 C#CCCCCOCCCCl 34a_100000230001_100010269958 [0,1,0,0,0,0|1,0,2]=4 4325 B10R0.71 C#CCCCCOCCCF 34a_100000759539_100010269958 [0,1,0,0,0,0|1,0,2]=4 4326 B10R0.71 C#CCCCCOCCCF 34a_100000766709_100011934791 [0,1,0,0,0,0|1,0,2]=4 4327 B10R0.71 C#CCCCCOCCCF 7a_100000766709_100011934791 [0,1,0,0,0,0|1,0,2]=4 4328 B10R0.71 C#CCCCCOCCCN 34a_100000182051_100010269958 [0,1,0,0,0,0|1,0,2]=4 4329 B10R0.71 C#CCCCCOCCCO 34a_100000766709_100000230001 [0,1,0,0,0,0|0,0,2]=3 4330 B10R0.71 C#CCCCCOCCCO 7a_100000766709_100011215043 [0,1,0,0,0,0|0,0,2]=3 4331 B10R0.71 C#CCCCCOCCOC 34a_100000210237_100010269958 [0,1,0,0,0,0|1,0,2]=4 4332 B10R0.71 C#CCCCCOCCOC 34a_100000766709_100011201679 [0,1,0,0,0,0|1,0,2]=4 4333 B10R0.71 C#CCCCCOCCOC 7a_100000766709_100000233755 [0,1,0,0,0,0|1,0,2]=4 4334 B10R0.71 C#CCCCCOCCON 34a_100000700252_100010269958 [0,1,0,0,0,0|1,0,2]=4 4335 B10R0.71 C#CCCCCOCCSC 34a_100000230434_100010269958 [0,1,0,0,0,0|2,0,1]=4 4336 B10R0.71 C#CCCCCOCCSC 34a_100000766709_100000212216 [0,1,0,0,0,0|2,0,1]=4 4337 B10R0.71 C#CCCCCOCCSC 7a_100000230434_100010269958 [0,1,0,0,0,0|2,0,1]=4 4338 B10R0.71 C#CCCCCOCCSC 7a_100000766709_100000212216 [0,1,0,0,0,0|2,0,1]=4 4339 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [0,1,0,0,0,0|1,0,1]=3 4340 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [0,1,0,0,0,0|1,0,1]=3 4341 B10R0.71 C#CCCCCSCCCF 62a_100010269958_100011934791 [0,1,0,0,0,0|1,0,2]=4 4342 B10R0.71 C#CCCCCSCCCF 62a_100011934791_100010269958 [0,1,0,0,0,0|1,0,2]=4 4343 B10R0.71 C#CCCCCSCCCO 62a_100010269958_100011215043 [0,1,0,0,0,0|0,0,2]=3 4344 B10R0.71 C#CCCCCSCCCO 62a_100011215043_100010269958 [0,1,0,0,0,0|0,0,2]=3 4345 B10R0.71 C#CCCCCSCCOC 62a_100000233755_100010269958 [0,1,0,0,0,0|1,0,2]=4 4346 B10R0.71 C#CCCCCSCCOC 62a_100010269958_100000233755 [0,1,0,0,0,0|1,0,2]=4 4347 B10R0.71 C#CCCCCSCCSC 62a_100000212216_100010269958 [0,1,0,0,0,0|2,0,1]=4 4348 B10R0.71 C#CCCCCSCCSC 62a_100010269958_100000751147 [0,1,0,0,0,0|2,0,1]=4 4349 B10R0.71 C#CCCCCSCOCC 62a_100000739092_100010269958 [0,1,0,0,0,0|2,0,1]=4 4350 B10R0.71 C#CCCCCSCOCC 62a_100010269958_100000739092 [0,1,0,0,0,0|2,0,1]=4 4351 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [0,1,0,0,0,0|1,0,1]=3 4352 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [0,1,0,0,0,0|1,0,1]=3 4353 B10R0.71 C#CCCCNCCCCF 34a_100000718082_100000729493 [0,1,0,0,0,0|1,0,2]=4 4354 B10R0.71 C#CCCCNCCCCO 2230a_100000750430_100000731252 [0,1,0,0,0,0|0,0,2]=3 4355 B10R0.71 C#CCCCNCCCCO 34a_100000718082_100011216708 [0,1,0,0,0,0|0,0,2]=3 4356 B10R0.71 C#CCCCNCCCCO 34a_100000750430_100000695029 [0,1,0,0,0,0|0,0,2]=3 4357 B10R0.71 C#CCCCNCCCOC 34a_100000718082_100000740836 [0,1,0,0,0,0|1,0,2]=4 4358 B10R0.71 C#CCCCNCCCOC 34a_100150723488_100000695029 [0,1,0,0,0,0|1,0,2]=4 4359 B10R0.71 C#CCCCNCCCSC 2230a_100000749238_100000731252 [0,1,0,0,0,0|2,0,1]=4 4360 B10R0.71 C#CCCCNCCOCC 2230a_102516460346_100000731252 [0,1,0,0,0,0|2,0,1]=4 4361 B10R0.71 C#CCCCNCCOCC 34a_100000718082_100000210147 [0,1,0,0,0,0|2,0,1]=4 4362 B10R0.71 C#CCCCNCCOCC 34a_102516460346_100000695029 [0,1,0,0,0,0|2,0,1]=4 4363 B10R0.71 C#CCCCNCCSCC 2230a_100000106463_100000731252 [0,1,0,0,0,0|2,0,1]=4 4364 B10R0.71 C#CCCCNCCSCC 34a_100000718082_100000757381 [0,1,0,0,0,0|2,0,1]=4 4365 B10R0.71 C#CCCCOCCCCBr 34a_100011216708_100000695029 [0,1,0,0,0,0|1,0,2]=4 4366 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [0,1,0,0,0,0|1,0,1]=3 4367 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [0,1,0,0,0,0|1,0,1]=3 4368 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [0,1,0,0,0,0|1,0,1]=3 4369 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [0,1,0,0,0,0|1,0,1]=3 4370 B10R0.71 C#CCCCOCCCCCl 34a_100000210776_100000695029 [0,1,0,0,0,0|1,0,2]=4 4371 B10R0.71 C#CCCCOCCCCCl 7a_100000210776_100011215417 [0,1,0,0,0,0|1,0,2]=4 4372 B10R0.71 C#CCCCOCCCCF 34a_100000215630_100000729493 [0,1,0,0,0,0|1,0,2]=4 4373 B10R0.71 C#CCCCOCCCCF 34a_100011995726_100000695029 [0,1,0,0,0,0|1,0,2]=4 4374 B10R0.71 C#CCCCOCCCCF 7a_100000215630_100000729493 [0,1,0,0,0,0|1,0,2]=4 4375 B10R0.71 C#CCCCOCCCCF 7a_100011995726_100011215417 [0,1,0,0,0,0|1,0,2]=4 4376 B10R0.71 C#CCCCOCCCCI 34a_200012148704_100000695029 [0,1,0,0,0,0|1,0,2]=4 4377 B10R0.71 C#CCCCOCCCCN 34a_100000750430_100000695029 [0,1,0,0,0,0|1,0,2]=4 4378 B10R0.71 C#CCCCOCCCCO 34a_100000215630_100011216708 [0,1,0,0,0,0|0,0,2]=3 4379 B10R0.71 C#CCCCOCCCCO 7a_100000215630_100000210776 [0,1,0,0,0,0|0,0,2]=3 4380 B10R0.71 C#CCCCOCCCNC 34a_100000213112_100000695029 [0,1,0,0,0,0|2,0,1]=4 4381 B10R0.71 C#CCCCOCCCOC 34a_100000215630_100000740836 [0,1,0,0,0,0|1,0,2]=4 4382 B10R0.71 C#CCCCOCCCOC 34a_100000740835_100000695029 [0,1,0,0,0,0|1,0,2]=4 4383 B10R0.71 C#CCCCOCCCOC 7a_100000215630_100000740836 [0,1,0,0,0,0|1,0,2]=4 4384 B10R0.71 C#CCCCOCCCSC 34a_100000690336_100000695029 [0,1,0,0,0,0|2,0,1]=4 4385 B10R0.71 C#CCCCOCCCSC 7a_100000690336_100011215417 [0,1,0,0,0,0|2,0,1]=4 4386 B10R0.71 C#CCCCOCCOCC 34a_100000210136_100000695029 [0,1,0,0,0,0|2,0,1]=4 4387 B10R0.71 C#CCCCOCCOCC 34a_100000215630_100000210147 [0,1,0,0,0,0|2,0,1]=4 4388 B10R0.71 C#CCCCOCCOCC 7a_100000210136_100011215417 [0,1,0,0,0,0|2,0,1]=4 4389 B10R0.71 C#CCCCOCCOCC 7a_100000215630_100011215890 [0,1,0,0,0,0|2,0,1]=4 4390 B10R0.71 C#CCCCOCCSCC 34a_100000212035_100000695029 [0,1,0,0,0,0|2,0,1]=4 4391 B10R0.71 C#CCCCOCCSCC 34a_100000215630_100000757381 [0,1,0,0,0,0|2,0,1]=4 4392 B10R0.71 C#CCCCOCCSCC 7a_100000212035_100011215417 [0,1,0,0,0,0|2,0,1]=4 4393 B10R0.71 C#CCCCOCCSCC 7a_100000215630_100000757381 [0,1,0,0,0,0|2,0,1]=4 4394 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [0,1,0,0,0,0|1,0,1]=3 4395 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [0,1,0,0,0,0|1,0,1]=3 4396 B10R0.71 C#CCCCSCCCCF 62a_100000729493_100011215417 [0,1,0,0,0,0|1,0,2]=4 4397 B10R0.71 C#CCCCSCCCCF 62a_100011215417_100000729493 [0,1,0,0,0,0|1,0,2]=4 4398 B10R0.71 C#CCCCSCCCCO 62a_100000210776_100011215417 [0,1,0,0,0,0|0,0,2]=3 4399 B10R0.71 C#CCCCSCCCCO 62a_100011215417_100000210776 [0,1,0,0,0,0|0,0,2]=3 4400 B10R0.71 C#CCCCSCCCOC 62a_100000709357_100011215417 [0,1,0,0,0,0|1,0,2]=4 4401 B10R0.71 C#CCCCSCCCOC 62a_100011215417_100000709357 [0,1,0,0,0,0|1,0,2]=4 4402 B10R0.71 C#CCCCSCCOCC 62a_100000210147_100011215417 [0,1,0,0,0,0|2,0,1]=4 4403 B10R0.71 C#CCCCSCCOCC 62a_100011215417_100011215890 [0,1,0,0,0,0|2,0,1]=4 4404 B10R0.71 C#CCCCSCCSCC 62a_100000757381_100011215417 [0,1,0,0,0,0|2,0,1]=4 4405 B10R0.71 C#CCCCSCCSCC 62a_100011215417_100000757381 [0,1,0,0,0,0|2,0,1]=4 4406 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [0,1,0,0,0,0|1,0,1]=3 4407 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [0,1,0,0,0,0|1,0,1]=3 4408 B10R0.71 C#CCCNCCCCCF 34a_100000755551_100000729378 [0,1,0,0,0,0|1,0,2]=4 4409 B10R0.71 C#CCCNCCCCCO 2230a_100000762737_100000688953 [0,1,0,0,0,0|0,0,2]=3 4410 B10R0.71 C#CCCNCCCCCO 34a_100000755551_100000746330 [0,1,0,0,0,0|0,0,2]=3 4411 B10R0.71 C#CCCNCCCCCO 34a_100000762737_100000688953 [0,1,0,0,0,0|0,0,2]=3 4412 B10R0.71 C#CCCNCCCCOC 34a_100000755551_100000755781 [0,1,0,0,0,0|1,0,2]=4 4413 B10R0.71 C#CCCNCCCOCC 2230a_100000210961_100000688953 [0,1,0,0,0,0|2,0,1]=4 4414 B10R0.71 C#CCCNCCCOCC 34a_100000210961_100000688953 [0,1,0,0,0,0|2,0,1]=4 4415 B10R0.71 C#CCCNCCCOCC 34a_100000755551_100012232248 [0,1,0,0,0,0|2,0,1]=4 4416 B10R0.71 C#CCCNCCOCCC 2230a_100161115042_100000688953 [0,1,0,0,0,0|2,0,1]=4 4417 B10R0.71 C#CCCNCCOCCC 34a_100000755551_100011215938 [0,1,0,0,0,0|2,0,1]=4 4418 B10R0.71 C#CCCNCCOCCC 34a_100161115042_100000688953 [0,1,0,0,0,0|2,0,1]=4 4419 B10R0.71 C#CCCNCCOCCO 2230a_100000211614_100000688953 [0,1,0,0,0,0|1,0,2]=4 4420 B10R0.71 C#CCCNCCOCCO 34a_100000211614_100000688953 [0,1,0,0,0,0|1,0,2]=4 4421 B10R0.71 C#CCCNCCOCCO 34a_100000755551_100000692535 [0,1,0,0,0,0|1,0,2]=4 4422 B10R0.71 C#CCCNCCSCCC 2230a_100020603323_100000688953 [0,1,0,0,0,0|2,0,1]=4 4423 B10R0.71 C#CCCNCCSCCO 2230a_100011219999_100000688953 [0,1,0,0,0,0|1,0,2]=4 4424 B10R0.71 C#CCCNCOCCCC 34a_100000755551_100011995733 [0,1,0,0,0,0|2,0,1]=4 4425 B10R0.71 C#CCCOCCCCCBr 34a_100000746331_100000688953 [0,1,0,0,0,0|1,0,2]=4 4426 B10R0.71 C#CCCOCCCCCBr 7a_100000746331_100000688953 [0,1,0,0,0,0|1,0,2]=4 4427 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [0,1,0,0,0,0|1,0,1]=3 4428 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [0,1,0,0,0,0|1,0,1]=3 4429 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [0,1,0,0,0,0|1,0,1]=3 4430 B10R0.71 C#CCCOCCCCCCl 34a_100000746330_100000688953 [0,1,0,0,0,0|1,0,2]=4 4431 B10R0.71 C#CCCOCCCCCCl 7a_100000746330_100000688953 [0,1,0,0,0,0|1,0,2]=4 4432 B10R0.71 C#CCCOCCCCCF 34a_100011215631_100000729378 [0,1,0,0,0,0|1,0,2]=4 4433 B10R0.71 C#CCCOCCCCCI 34a_200012148887_100000688953 [0,1,0,0,0,0|1,0,2]=4 4434 B10R0.71 C#CCCOCCCCCI 7a_200012148887_100000688953 [0,1,0,0,0,0|1,0,2]=4 4435 B10R0.71 C#CCCOCCCCCN 34a_100000762737_100000688953 [0,1,0,0,0,0|1,0,2]=4 4436 B10R0.71 C#CCCOCCCCCO 34a_100011215631_100000746330 [0,1,0,0,0,0|0,0,2]=3 4437 B10R0.71 C#CCCOCCCCOC 34a_100000740925_100000688953 [0,1,0,0,0,0|1,0,2]=4 4438 B10R0.71 C#CCCOCCCCOC 34a_100011215631_100000755781 [0,1,0,0,0,0|1,0,2]=4 4439 B10R0.71 C#CCCOCCCCSC 34a_100011217163_100000688953 [0,1,0,0,0,0|2,0,1]=4 4440 B10R0.71 C#CCCOCCCCSC 7a_100011217163_100000688953 [0,1,0,0,0,0|2,0,1]=4 4441 B10R0.71 C#CCCOCCCOCC 34a_100000757476_100000688953 [0,1,0,0,0,0|2,0,1]=4 4442 B10R0.71 C#CCCOCCCOCC 34a_100011215631_100012232248 [0,1,0,0,0,0|2,0,1]=4 4443 B10R0.71 C#CCCOCCCOCC 7a_100000757476_100000688953 [0,1,0,0,0,0|2,0,1]=4 4444 B10R0.71 C#CCCOCCCSCC 34a_100011216438_100000688953 [0,1,0,0,0,0|2,0,1]=4 4445 B10R0.71 C#CCCOCCCSCC 7a_100011216438_100000688953 [0,1,0,0,0,0|2,0,1]=4 4446 B10R0.71 C#CCCOCCOCCC 34a_100000752267_100000688953 [0,1,0,0,0,0|2,0,1]=4 4447 B10R0.71 C#CCCOCCOCCC 34a_100011215631_100011215938 [0,1,0,0,0,0|2,0,1]=4 4448 B10R0.71 C#CCCOCCOCCC 7a_100000752267_100000688953 [0,1,0,0,0,0|2,0,1]=4 4449 B10R0.71 C#CCCOCCOCCO 34a_100011215631_100000692535 [0,1,0,0,0,0|1,0,2]=4 4450 B10R0.71 C#CCCOCCSCCC 34a_200000230433_100000688953 [0,1,0,0,0,0|2,0,1]=4 4451 B10R0.71 C#CCCOCCSCCC 7a_200000230433_100000688953 [0,1,0,0,0,0|2,0,1]=4 4452 B10R0.71 C#CCCOCOCCCC 34a_100011215631_100011995733 [0,1,0,0,0,0|2,0,1]=4 4453 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [0,1,0,0,0,0|1,0,1]=3 4454 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [0,1,0,0,0,0|1,0,1]=3 4455 B10R0.71 C#CCCSCCCCCF 62a_100000688953_100000729378 [0,1,0,0,0,0|1,0,2]=4 4456 B10R0.71 C#CCCSCCCCCF 62a_100000729378_100000688953 [0,1,0,0,0,0|1,0,2]=4 4457 B10R0.71 C#CCCSCCCCCO 62a_100000688953_100000746330 [0,1,0,0,0,0|0,0,2]=3 4458 B10R0.71 C#CCCSCCCCCO 62a_100000746330_100000688953 [0,1,0,0,0,0|0,0,2]=3 4459 B10R0.71 C#CCCSCCCCOC 62a_100000688953_100000730899 [0,1,0,0,0,0|1,0,2]=4 4460 B10R0.71 C#CCCSCCCCOC 62a_100000730899_100000688953 [0,1,0,0,0,0|1,0,2]=4 4461 B10R0.71 C#CCCSCCCOCC 62a_100000688953_100012232248 [0,1,0,0,0,0|2,0,1]=4 4462 B10R0.71 C#CCCSCCCOCC 62a_100012232248_100000688953 [0,1,0,0,0,0|2,0,1]=4 4463 B10R0.71 C#CCCSCCOCCC 62a_100000688953_100011215938 [0,1,0,0,0,0|2,0,1]=4 4464 B10R0.71 C#CCCSCCOCCC 62a_100011215938_100000688953 [0,1,0,0,0,0|2,0,1]=4 4465 B10R0.71 C#CCCSCCOCCO 62a_100000688953_100011215305 [0,1,0,0,0,0|1,0,2]=4 4466 B10R0.71 C#CCCSCCOCCO 62a_100011215305_100000688953 [0,1,0,0,0,0|1,0,2]=4 4467 B10R0.71 C#CCCSCOCCCC 62a_100000688953_100011995733 [0,1,0,0,0,0|2,0,1]=4 4468 B10R0.71 C#CCCSCOCCCC 62a_100011995733_100000688953 [0,1,0,0,0,0|2,0,1]=4 4469 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [0,1,0,0,0,0|1,0,1]=3 4470 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [0,1,0,0,0,0|1,0,1]=3 4471 B10R0.71 C#CCNCCCCCCF 34a_100000212058_100015922095 [0,1,0,0,0,0|1,0,2]=4 4472 B10R0.71 C#CCNCCCCCCO 2230a_100000686447_100000038162 [0,1,0,0,0,0|0,0,2]=3 4473 B10R0.71 C#CCNCCCCCCO 34a_100000212058_100000766143 [0,1,0,0,0,0|0,0,2]=3 4474 B10R0.71 C#CCNCCCCCCO 34a_100000686447_100000184674 [0,1,0,0,0,0|0,0,2]=3 4475 B10R0.71 C#CCNCCCCCOC 2230a_100000747528_100000038162 [0,1,0,0,0,0|1,0,2]=4 4476 B10R0.71 C#CCNCCCCCOC 34a_100000747528_100000184674 [0,1,0,0,0,0|1,0,2]=4 4477 B10R0.71 C#CCNCCCOCCC 2230a_100011217757_100000038162 [0,1,0,0,0,0|2,0,1]=4 4478 B10R0.71 C#CCNCCCOCCC 34a_100011217757_100000184674 [0,1,0,0,0,0|2,0,1]=4 4479 B10R0.71 C#CCNCCOCCCC 34a_100000212058_100000743108 [0,1,0,0,0,0|2,0,1]=4 4480 B10R0.71 C#CCNCCSCCCC 2230a_100025743550_100000038162 [0,1,0,0,0,0|2,0,1]=4 4481 B10R0.71 C#CCOCCCCCCBr 34a_100011215345_100000184674 [0,1,0,0,0,0|1,0,2]=4 4482 B10R0.71 C#CCOCCCCCCBr 7a_100011215345_100000038162 [0,1,0,0,0,0|1,0,2]=4 4483 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [0,1,0,0,0,0|1,0,1]=3 4484 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [0,1,0,0,0,0|1,0,1]=3 4485 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [0,1,0,0,0,0|1,0,1]=3 4486 B10R0.71 C#CCOCCCCCCCl 34a_100000766143_100000184674 [0,1,0,0,0,0|1,0,2]=4 4487 B10R0.71 C#CCOCCCCCCCl 7a_100000766143_100000038162 [0,1,0,0,0,0|1,0,2]=4 4488 B10R0.71 C#CCOCCCCCCF 34a_100000210247_100015922095 [0,1,0,0,0,0|1,0,2]=4 4489 B10R0.71 C#CCOCCCCCCF 34a_100000732779_100000184674 [0,1,0,0,0,0|1,0,2]=4 4490 B10R0.71 C#CCOCCCCCCF 7a_100000732779_100000038162 [0,1,0,0,0,0|1,0,2]=4 4491 B10R0.71 C#CCOCCCCCCN 34a_100000686447_100000184674 [0,1,0,0,0,0|1,0,2]=4 4492 B10R0.71 C#CCOCCCCCCO 34a_100000210247_100000766143 [0,1,0,0,0,0|0,0,2]=3 4493 B10R0.71 C#CCOCCCCCNC 34a_100000722520_100000184674 [0,1,0,0,0,0|2,0,1]=4 4494 B10R0.71 C#CCOCCNCCCC 2230a_100000102301_100010402529 [0,1,0,0,0,0|2,0,1]=4 4495 B10R0.71 C#CCOCCNCCCC 2230a_100000700922_100000210211 [0,1,0,0,0,0|2,0,1]=4 4496 B10R0.71 C#CCOCCNCCCC 34a_100000700922_100000210210 [0,1,0,0,0,0|2,0,1]=4 4497 B10R0.71 C#CCOCCNCCCC 7a_106832991798_100010402529 [0,1,0,0,0,0|2,0,1]=4 4498 B10R0.71 C#CCOCCNCCCO 2230a_100000700922_100000230001 [0,1,0,0,0,0|1,0,2]=4 4499 B10R0.71 C#CCOCCNCCCO 34a_100000700922_100000230001 [0,1,0,0,0,0|1,0,2]=4 4500 B10R0.71 C#CCOCCOCCCC 34a_100000054580_100000210210 [0,1,0,0,0,0|2,0,1]=4 4501 B10R0.71 C#CCOCCOCCCC 34a_100000210227_100010402529 [0,1,0,0,0,0|2,0,1]=4 4502 B10R0.71 C#CCOCCOCCCC 34a_100000210238_100000184674 [0,1,0,0,0,0|2,0,1]=4 4503 B10R0.71 C#CCOCCOCCCC 34a_100000210247_100000743108 [0,1,0,0,0,0|2,0,1]=4 4504 B10R0.71 C#CCOCCOCCCC 7a_100000054580_100000210211 [0,1,0,0,0,0|2,0,1]=4 4505 B10R0.71 C#CCOCCOCCCC 7a_100000210227_100010402529 [0,1,0,0,0,0|2,0,1]=4 4506 B10R0.71 C#CCOCCOCCCC 7a_100000210238_100000038162 [0,1,0,0,0,0|2,0,1]=4 4507 B10R0.71 C#CCOCCOCCCO 34a_100000054580_100000230001 [0,1,0,0,0,0|1,0,2]=4 4508 B10R0.71 C#CCOCCOCCCO 7a_100000054580_100011215043 [0,1,0,0,0,0|1,0,2]=4 4509 B10R0.71 C#CCOCCSCCCC 34a_200000230436_100000184674 [0,1,0,0,0,0|2,0,1]=4 4510 B10R0.71 C#CCOCCSCCCC 62a_100000210211_100010402529 [0,1,0,0,0,0|2,0,1]=4 4511 B10R0.71 C#CCOCCSCCCC 62a_100010402529_100000210210 [0,1,0,0,0,0|2,0,1]=4 4512 B10R0.71 C#CCOCCSCCCC 7a_200000230436_100000038162 [0,1,0,0,0,0|2,0,1]=4 4513 B10R0.71 C#CCOCCSCCCO 62a_100010402529_100011215043 [0,1,0,0,0,0|1,0,2]=4 4514 B10R0.71 C#CCOCCSCCCO 62a_100011215043_100010402529 [0,1,0,0,0,0|1,0,2]=4 4515 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [0,1,0,0,0,0|1,0,1]=3 4516 B10R0.71 C#CCSCCCCCCF 62a_100000038162_100015922095 [0,1,0,0,0,0|1,0,2]=4 4517 B10R0.71 C#CCSCCCCCCO 62a_100000038162_100000766143 [0,1,0,0,0,0|0,0,2]=3 4518 B10R0.71 C#CCSCCOCCCC 62a_100000038162_100000743108 [0,1,0,0,0,0|2,0,1]=4 4519 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [0,1,0,0,0,0|1,0,2]=4 4520 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [0,1,0,0,0,0|1,0,2]=4 4521 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [0,1,0,0,0,0|0,0,2]=3 4522 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [0,1,0,0,0,0|1,0,2]=4 4523 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [0,1,0,0,0,0|0,0,2]=3 4524 B10R0.71 C/C=C/CNCCOCCO 34a_100000211614_100102629194 [0,1,0,0,0,0|1,0,2]=4 4525 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [0,1,0,0,0,0|1,0,2]=4 4526 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [0,1,0,0,0,0|1,0,2]=4 4527 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [0,1,0,0,0,0|1,0,2]=4 4528 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [0,1,0,0,0,0|1,0,2]=4 4529 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [0,1,0,0,0,0|1,0,2]=4 4530 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [0,1,0,0,0,0|1,0,2]=4 4531 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [0,1,0,0,0,0|1,0,2]=4 4532 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [0,1,0,0,0,0|1,0,2]=4 4533 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [0,1,0,0,0,0|1,0,2]=4 4534 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [0,1,0,0,0,0|1,0,2]=4 4535 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [0,1,0,0,0,0|1,0,2]=4 4536 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [0,1,0,0,0,0|0,0,2]=3 4537 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [0,1,0,0,0,0|1,0,2]=4 4538 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [0,1,0,0,0,0|1,0,2]=4 4539 B10R0.71 C/C=C/COCCOCCO 34a_100016270725_100000692535 [0,1,0,0,0,0|1,0,2]=4 4540 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [0,1,0,0,0,0|1,0,2]=4 4541 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [0,1,0,0,0,0|1,0,2]=4 4542 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [0,1,0,0,0,0|1,0,2]=4 4543 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [0,1,0,0,0,0|1,0,2]=4 4544 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [0,1,0,0,0,0|0,0,2]=3 4545 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [0,1,0,0,0,0|0,0,2]=3 4546 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [0,1,0,0,0,0|1,0,2]=4 4547 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [0,1,0,0,0,0|1,0,2]=4 4548 B10R0.71 C/C=C/CSCCOCCO 62a_100011215305_100102629194 [0,1,0,0,0,0|1,0,2]=4 4549 B10R0.71 C/C=C/CSCCOCCO 62a_100102629194_100011215305 [0,1,0,0,0,0|1,0,2]=4 4550 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [0,1,0,0,0,0|1,0,1]=3 4551 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [0,1,0,0,0,0|1,0,1]=3 4552 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [0,1,0,0,0,0|1,0,1]=3 4553 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [0,1,0,0,0,0|0,0,2]=3 4554 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [0,1,0,0,0,0|0,0,2]=3 4555 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [0,1,0,0,0,0|0,0,2]=3 4556 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [0,1,0,0,0,0|0,0,2]=3 4557 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [0,1,0,0,0,0|0,0,2]=3 4558 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [0,1,0,0,0,0|1,0,1]=3 4559 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [0,1,0,0,0,0|1,0,1]=3 4560 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [0,1,0,0,0,0|1,0,1]=3 4561 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [0,1,0,0,0,0|1,0,1]=3 4562 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [0,1,0,0,0,0|1,0,1]=3 4563 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [0,1,0,0,0,0|1,0,1]=3 4564 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [0,1,0,0,0,0|1,0,1]=3 4565 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [0,1,0,0,0,0|1,0,1]=3 4566 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [0,1,0,0,0,0|1,0,2]=4 4567 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [0,1,0,0,0,0|1,0,2]=4 4568 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [0,1,0,0,0,0|1,0,1]=3 4569 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [0,1,0,0,0,0|1,0,1]=3 4570 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [0,1,0,0,0,0|1,0,2]=4 4571 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [0,1,0,0,0,0|1,0,2]=4 4572 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [0,1,0,0,0,0|1,0,2]=4 4573 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [0,1,0,0,0,0|0,0,2]=3 4574 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [0,1,0,0,0,0|0,0,2]=3 4575 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [0,1,0,0,0,0|1,0,2]=4 4576 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [0,1,0,0,0,0|1,0,1]=3 4577 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [0,1,0,0,0,0|1,0,1]=3 4578 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [0,1,0,0,0,0|1,0,1]=3 4579 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [0,1,0,0,0,0|1,0,2]=4 4580 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [0,1,0,0,0,0|1,0,2]=4 4581 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [0,1,0,0,0,0|1,0,2]=4 4582 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [0,1,0,0,0,0|0,0,2]=3 4583 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [0,1,0,0,0,0|0,0,2]=3 4584 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [0,1,0,0,0,0|2,0,1]=4 4585 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [0,1,0,0,0,0|1,0,1]=3 4586 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [0,1,0,0,0,0|1,0,1]=3 4587 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [0,1,0,0,0,0|1,0,2]=4 4588 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [0,1,0,0,0,0|1,0,2]=4 4589 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [0,1,0,0,0,0|0,0,2]=3 4590 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [0,1,0,0,0,0|0,0,2]=3 4591 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [0,1,0,0,0,0|1,0,2]=4 4592 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [0,1,0,0,0,0|1,0,2]=4 4593 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [0,1,0,0,0,0|2,0,1]=4 4594 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [0,1,0,0,0,0|2,0,1]=4 4595 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [0,1,0,0,0,0|1,0,1]=3 4596 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [0,1,0,0,0,0|1,0,1]=3 4597 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [0,1,0,0,0,0|1,0,1]=3 4598 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [0,1,0,0,0,0|1,0,1]=3 4599 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [0,1,0,0,0,0|1,0,2]=4 4600 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [0,1,0,0,0,0|1,0,2]=4 4601 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [0,1,0,0,0,0|1,0,2]=4 4602 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [0,1,0,0,0,0|1,0,2]=4 4603 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [0,1,0,0,0,0|0,0,2]=3 4604 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [0,1,0,0,0,0|0,0,2]=3 4605 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [0,1,0,0,0,0|1,0,2]=4 4606 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [0,1,0,0,0,0|1,0,2]=4 4607 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [0,1,0,0,0,0|1,0,2]=4 4608 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [0,1,0,0,0,0|2,0,1]=4 4609 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [0,1,0,0,0,0|2,0,1]=4 4610 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [0,1,0,0,0,0|2,0,1]=4 4611 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [0,1,0,0,0,0|1,0,2]=4 4612 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [0,1,0,0,0,0|1,0,1]=3 4613 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [0,1,0,0,0,0|1,0,1]=3 4614 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [0,1,0,0,0,0|1,0,1]=3 4615 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [0,1,0,0,0,0|1,0,1]=3 4616 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [0,1,0,0,0,0|1,0,2]=4 4617 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [0,1,0,0,0,0|1,0,2]=4 4618 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [0,1,0,0,0,0|1,0,2]=4 4619 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [0,1,0,0,0,0|1,0,2]=4 4620 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [0,1,0,0,0,0|1,0,2]=4 4621 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [0,1,0,0,0,0|0,0,2]=3 4622 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [0,1,0,0,0,0|0,0,2]=3 4623 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [0,1,0,0,0,0|1,0,2]=4 4624 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [0,1,0,0,0,0|1,0,2]=4 4625 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [0,1,0,0,0,0|1,0,2]=4 4626 B10R0.71 C=CCCCCOCCON 34a_100000700252_100011215482 [0,1,0,0,0,0|1,0,2]=4 4627 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [0,1,0,0,0,0|2,0,1]=4 4628 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [0,1,0,0,0,0|2,0,1]=4 4629 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [0,1,0,0,0,0|2,0,1]=4 4630 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [0,1,0,0,0,0|2,0,1]=4 4631 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [0,1,0,0,0,0|1,0,1]=3 4632 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [0,1,0,0,0,0|1,0,1]=3 4633 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [0,1,0,0,0,0|1,0,2]=4 4634 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [0,1,0,0,0,0|1,0,2]=4 4635 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [0,1,0,0,0,0|0,0,2]=3 4636 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [0,1,0,0,0,0|0,0,2]=3 4637 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [0,1,0,0,0,0|1,0,2]=4 4638 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [0,1,0,0,0,0|1,0,2]=4 4639 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [0,1,0,0,0,0|2,0,1]=4 4640 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [0,1,0,0,0,0|2,0,1]=4 4641 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [0,1,0,0,0,0|2,0,1]=4 4642 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [0,1,0,0,0,0|2,0,1]=4 4643 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [0,1,0,0,0,0|1,0,1]=3 4644 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [0,1,0,0,0,0|1,0,1]=3 4645 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [0,1,0,0,0,0|1,0,1]=3 4646 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [0,1,0,0,0,0|1,0,2]=4 4647 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [0,1,0,0,0,0|1,0,2]=4 4648 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [0,1,0,0,0,0|0,0,2]=3 4649 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [0,1,0,0,0,0|0,0,2]=3 4650 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [0,1,0,0,0,0|0,0,2]=3 4651 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [0,1,0,0,0,0|0,0,2]=3 4652 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [0,1,0,0,0,0|1,0,2]=4 4653 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [0,1,0,0,0,0|1,0,2]=4 4654 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [0,1,0,0,0,0|1,0,2]=4 4655 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [0,1,0,0,0,0|2,0,1]=4 4656 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [0,1,0,0,0,0|2,0,1]=4 4657 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [0,1,0,0,0,0|2,0,1]=4 4658 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [0,1,0,0,0,0|2,0,1]=4 4659 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [0,1,0,0,0,0|2,0,1]=4 4660 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [0,1,0,0,0,0|2,0,1]=4 4661 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [0,1,0,0,0,0|2,0,1]=4 4662 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [0,1,0,0,0,0|2,0,1]=4 4663 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [0,1,0,0,0,0|1,0,2]=4 4664 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [0,1,0,0,0,0|1,0,1]=3 4665 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [0,1,0,0,0,0|1,0,1]=3 4666 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [0,1,0,0,0,0|1,0,1]=3 4667 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [0,1,0,0,0,0|1,0,1]=3 4668 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [0,1,0,0,0,0|1,0,2]=4 4669 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [0,1,0,0,0,0|1,0,2]=4 4670 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [0,1,0,0,0,0|1,0,2]=4 4671 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [0,1,0,0,0,0|1,0,2]=4 4672 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [0,1,0,0,0,0|1,0,2]=4 4673 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [0,1,0,0,0,0|1,0,2]=4 4674 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [0,1,0,0,0,0|1,0,2]=4 4675 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [0,1,0,0,0,0|1,0,2]=4 4676 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [0,1,0,0,0,0|0,0,2]=3 4677 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [0,1,0,0,0,0|0,0,2]=3 4678 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [0,1,0,0,0,0|2,0,1]=4 4679 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [0,1,0,0,0,0|1,0,2]=4 4680 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [0,1,0,0,0,0|1,0,2]=4 4681 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [0,1,0,0,0,0|1,0,2]=4 4682 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [0,1,0,0,0,0|2,0,1]=4 4683 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [0,1,0,0,0,0|2,0,1]=4 4684 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [0,1,0,0,0,0|2,0,1]=4 4685 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [0,1,0,0,0,0|2,0,1]=4 4686 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [0,1,0,0,0,0|2,0,1]=4 4687 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [0,1,0,0,0,0|2,0,1]=4 4688 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [0,1,0,0,0,0|2,0,1]=4 4689 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [0,1,0,0,0,0|2,0,1]=4 4690 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [0,1,0,0,0,0|2,0,1]=4 4691 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [0,1,0,0,0,0|2,0,1]=4 4692 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [0,1,0,0,0,0|1,0,1]=3 4693 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [0,1,0,0,0,0|1,0,1]=3 4694 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [0,1,0,0,0,0|1,0,2]=4 4695 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [0,1,0,0,0,0|1,0,2]=4 4696 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [0,1,0,0,0,0|0,0,2]=3 4697 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [0,1,0,0,0,0|0,0,2]=3 4698 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [0,1,0,0,0,0|1,0,2]=4 4699 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [0,1,0,0,0,0|1,0,2]=4 4700 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [0,1,0,0,0,0|2,0,1]=4 4701 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [0,1,0,0,0,0|2,0,1]=4 4702 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [0,1,0,0,0,0|2,0,1]=4 4703 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [0,1,0,0,0,0|2,0,1]=4 4704 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [0,1,0,0,0,0|1,0,1]=3 4705 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [0,1,0,0,0,0|1,0,1]=3 4706 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [0,1,0,0,0,0|1,0,2]=4 4707 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [0,1,0,0,0,0|0,0,2]=3 4708 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [0,1,0,0,0,0|0,0,2]=3 4709 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [0,1,0,0,0,0|0,0,2]=3 4710 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [0,1,0,0,0,0|1,0,2]=4 4711 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [0,1,0,0,0,0|2,0,1]=4 4712 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [0,1,0,0,0,0|2,0,1]=4 4713 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [0,1,0,0,0,0|2,0,1]=4 4714 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [0,1,0,0,0,0|2,0,1]=4 4715 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [0,1,0,0,0,0|2,0,1]=4 4716 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [0,1,0,0,0,0|2,0,1]=4 4717 B10R0.71 C=CCCNCCOCCO 2230a_100000211614_100000754431 [0,1,0,0,0,0|1,0,2]=4 4718 B10R0.71 C=CCCNCCOCCO 2230a_100015191253_100011215305 [0,1,0,0,0,0|1,0,2]=4 4719 B10R0.71 C=CCCNCCOCCO 34a_100000211614_100000754431 [0,1,0,0,0,0|1,0,2]=4 4720 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [0,1,0,0,0,0|2,0,1]=4 4721 B10R0.71 C=CCCNCCSCCO 2230a_100011219999_100000754431 [0,1,0,0,0,0|1,0,2]=4 4722 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [0,1,0,0,0,0|2,0,1]=4 4723 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [0,1,0,0,0,0|1,0,2]=4 4724 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [0,1,0,0,0,0|1,0,2]=4 4725 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [0,1,0,0,0,0|1,0,1]=3 4726 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [0,1,0,0,0,0|1,0,1]=3 4727 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [0,1,0,0,0,0|1,0,1]=3 4728 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [0,1,0,0,0,0|1,0,2]=4 4729 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [0,1,0,0,0,0|1,0,2]=4 4730 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [0,1,0,0,0,0|1,0,2]=4 4731 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [0,1,0,0,0,0|1,0,2]=4 4732 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [0,1,0,0,0,0|1,0,2]=4 4733 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [0,1,0,0,0,0|1,0,2]=4 4734 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [0,1,0,0,0,0|0,0,2]=3 4735 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [0,1,0,0,0,0|1,0,2]=4 4736 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [0,1,0,0,0,0|1,0,2]=4 4737 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [0,1,0,0,0,0|2,0,1]=4 4738 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [0,1,0,0,0,0|2,0,1]=4 4739 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [0,1,0,0,0,0|2,0,1]=4 4740 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [0,1,0,0,0,0|2,0,1]=4 4741 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [0,1,0,0,0,0|2,0,1]=4 4742 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [0,1,0,0,0,0|2,0,1]=4 4743 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [0,1,0,0,0,0|2,0,1]=4 4744 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [0,1,0,0,0,0|2,0,1]=4 4745 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [0,1,0,0,0,0|2,0,1]=4 4746 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [0,1,0,0,0,0|2,0,1]=4 4747 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [0,1,0,0,0,0|1,0,2]=4 4748 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [0,1,0,0,0,0|2,0,1]=4 4749 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [0,1,0,0,0,0|2,0,1]=4 4750 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [0,1,0,0,0,0|2,0,1]=4 4751 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [0,1,0,0,0,0|1,0,1]=3 4752 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [0,1,0,0,0,0|1,0,1]=3 4753 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [0,1,0,0,0,0|1,0,2]=4 4754 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [0,1,0,0,0,0|1,0,2]=4 4755 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [0,1,0,0,0,0|0,0,2]=3 4756 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [0,1,0,0,0,0|0,0,2]=3 4757 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [0,1,0,0,0,0|1,0,2]=4 4758 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [0,1,0,0,0,0|1,0,2]=4 4759 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [0,1,0,0,0,0|2,0,1]=4 4760 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [0,1,0,0,0,0|2,0,1]=4 4761 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [0,1,0,0,0,0|2,0,1]=4 4762 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [0,1,0,0,0,0|2,0,1]=4 4763 B10R0.71 C=CCCSCCOCCO 62a_100000754431_100011215305 [0,1,0,0,0,0|1,0,2]=4 4764 B10R0.71 C=CCCSCCOCCO 62a_100011215305_100000754431 [0,1,0,0,0,0|1,0,2]=4 4765 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [0,1,0,0,0,0|2,0,1]=4 4766 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [0,1,0,0,0,0|2,0,1]=4 4767 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [0,1,0,0,0,0|1,0,1]=3 4768 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [0,1,0,0,0,0|1,0,1]=3 4769 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [0,1,0,0,0,0|1,0,2]=4 4770 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [0,1,0,0,0,0|0,0,2]=3 4771 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [0,1,0,0,0,0|0,0,2]=3 4772 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [0,1,0,0,0,0|0,0,2]=3 4773 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [0,1,0,0,0,0|1,0,2]=4 4774 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [0,1,0,0,0,0|1,0,2]=4 4775 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [0,1,0,0,0,0|2,0,1]=4 4776 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [0,1,0,0,0,0|2,0,1]=4 4777 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [0,1,0,0,0,0|2,0,1]=4 4778 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [0,1,0,0,0,0|2,0,1]=4 4779 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [0,1,0,0,0,0|1,0,2]=4 4780 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [0,1,0,0,0,0|1,0,2]=4 4781 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [0,1,0,0,0,0|1,0,1]=3 4782 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [0,1,0,0,0,0|1,0,1]=3 4783 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [0,1,0,0,0,0|1,0,1]=3 4784 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [0,1,0,0,0,0|1,0,2]=4 4785 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [0,1,0,0,0,0|1,0,2]=4 4786 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [0,1,0,0,0,0|1,0,2]=4 4787 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [0,1,0,0,0,0|1,0,2]=4 4788 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [0,1,0,0,0,0|1,0,2]=4 4789 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [0,1,0,0,0,0|1,0,2]=4 4790 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [0,1,0,0,0,0|0,0,2]=3 4791 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [0,1,0,0,0,0|2,0,1]=4 4792 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [0,1,0,0,0,0|2,0,1]=4 4793 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [0,1,0,0,0,0|2,0,1]=4 4794 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [0,1,0,0,0,0|2,0,1]=4 4795 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [0,1,0,0,0,0|2,0,1]=4 4796 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [0,1,0,0,0,0|2,0,1]=4 4797 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [0,1,0,0,0,0|1,0,2]=4 4798 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [0,1,0,0,0,0|1,0,2]=4 4799 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [0,1,0,0,0,0|2,0,1]=4 4800 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [0,1,0,0,0,0|2,0,1]=4 4801 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [0,1,0,0,0,0|1,0,1]=3 4802 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [0,1,0,0,0,0|1,0,1]=3 4803 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [0,1,0,0,0,0|1,0,2]=4 4804 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [0,1,0,0,0,0|1,0,2]=4 4805 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [0,1,0,0,0,0|0,0,2]=3 4806 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [0,1,0,0,0,0|0,0,2]=3 4807 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [0,1,0,0,0,0|2,0,1]=4 4808 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [0,1,0,0,0,0|2,0,1]=4 4809 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [0,1,0,0,0,0|2,0,1]=4 4810 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [0,1,0,0,0,0|2,0,1]=4 4811 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [0,1,0,0,0,0|1,0,2]=4 4812 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [0,1,0,0,0,0|1,0,2]=4 4813 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [0,1,0,0,0,0|2,0,1]=4 4814 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [0,1,0,0,0,0|2,0,1]=4 4815 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [0,1,0,0,0,0|1,0,2]=4 4816 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [0,1,0,0,0,0|1,0,2]=4 4817 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [0,1,0,0,0,0|2,0,1]=4 4818 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [0,1,0,0,0,0|1,0,2]=4 4819 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [0,1,0,0,0,0|1,0,2]=4 4820 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [0,1,0,0,0,0|2,0,1]=4 4821 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [0,1,0,0,0,0|2,0,1]=4 4822 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [0,1,0,0,0,0|2,0,1]=4 4823 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [0,1,0,0,0,0|1,0,2]=4 4824 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [0,1,0,0,0,0|2,0,1]=4 4825 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [0,1,0,0,0,0|2,0,1]=4 4826 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [0,1,0,0,0,0|1,0,2]=4 4827 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [0,1,0,0,0,0|1,0,2]=4 4828 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [0,1,0,0,0,0|1,0,2]=4 4829 B10R0.71 CC#CCCOCCCCF 34a_100000750427_100000729493 [0,1,0,0,0,0|1,0,2]=4 4830 B10R0.71 CC#CCCOCCCCO 34a_100000750427_100011216708 [0,1,0,0,0,0|0,0,2]=3 4831 B10R0.71 CC#CCCOCCCOC 34a_100000750427_100000740836 [0,1,0,0,0,0|1,0,2]=4 4832 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [0,1,0,0,0,0|1,0,2]=4 4833 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [0,1,0,0,0,0|1,0,2]=4 4834 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [0,1,0,0,0,0|1,0,2]=4 4835 B10R0.71 CC#CCNCCCCCF 2230a_100000685387_100000729378 [0,1,0,0,0,0|1,0,2]=4 4836 B10R0.71 CC#CCNCCCCCF 34a_100000685387_100000729378 [0,1,0,0,0,0|1,0,2]=4 4837 B10R0.71 CC#CCNCCCCCO 2230a_100000685387_100000746330 [0,1,0,0,0,0|0,0,2]=3 4838 B10R0.71 CC#CCNCCCCCO 2230a_100000762737_100000748600 [0,1,0,0,0,0|0,0,2]=3 4839 B10R0.71 CC#CCNCCCCCO 34a_100000685387_100000746330 [0,1,0,0,0,0|0,0,2]=3 4840 B10R0.71 CC#CCNCCCCCO 34a_100000762737_100000748600 [0,1,0,0,0,0|0,0,2]=3 4841 B10R0.71 CC#CCNCCCCOC 2230a_100000685387_100000730899 [0,1,0,0,0,0|1,0,2]=4 4842 B10R0.71 CC#CCNCCCCOC 34a_100000685387_100000755781 [0,1,0,0,0,0|1,0,2]=4 4843 B10R0.71 CC#CCNCCOCCO 2230a_100000211614_100000748600 [0,1,0,0,0,0|1,0,2]=4 4844 B10R0.71 CC#CCNCCOCCO 2230a_100000685387_100011215305 [0,1,0,0,0,0|1,0,2]=4 4845 B10R0.71 CC#CCNCCOCCO 34a_100000211614_100000748600 [0,1,0,0,0,0|1,0,2]=4 4846 B10R0.71 CC#CCNCCOCCO 34a_100000685387_100000692535 [0,1,0,0,0,0|1,0,2]=4 4847 B10R0.71 CC#CCNCCSCCO 2230a_100011219999_100000748600 [0,1,0,0,0,0|1,0,2]=4 4848 B10R0.71 CC#CCOCCCCCBr 34a_100000746331_100000748600 [0,1,0,0,0,0|1,0,2]=4 4849 B10R0.71 CC#CCOCCCCCBr 7a_100000746331_100000748600 [0,1,0,0,0,0|1,0,2]=4 4850 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [0,1,0,0,0,0|1,0,2]=4 4851 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [0,1,0,0,0,0|1,0,2]=4 4852 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [0,1,0,0,0,0|1,0,2]=4 4853 B10R0.71 CC#CCOCCCCCCl 34a_100000746330_100000748600 [0,1,0,0,0,0|1,0,2]=4 4854 B10R0.71 CC#CCOCCCCCCl 7a_100000746330_100000748600 [0,1,0,0,0,0|1,0,2]=4 4855 B10R0.71 CC#CCOCCCCCF 34a_100000761923_100000729378 [0,1,0,0,0,0|1,0,2]=4 4856 B10R0.71 CC#CCOCCCCCI 34a_200012148887_100000748600 [0,1,0,0,0,0|1,0,2]=4 4857 B10R0.71 CC#CCOCCCCCI 7a_200012148887_100000748600 [0,1,0,0,0,0|1,0,2]=4 4858 B10R0.71 CC#CCOCCCCCN 34a_100000762737_100000748600 [0,1,0,0,0,0|1,0,2]=4 4859 B10R0.71 CC#CCOCCCCCO 34a_100000761923_100000746330 [0,1,0,0,0,0|0,0,2]=3 4860 B10R0.71 CC#CCOCCCCOC 34a_100000740925_100000748600 [0,1,0,0,0,0|1,0,2]=4 4861 B10R0.71 CC#CCOCCCCOC 34a_100000761923_100000755781 [0,1,0,0,0,0|1,0,2]=4 4862 B10R0.71 CC#CCOCCOCCO 34a_100000761923_100000692535 [0,1,0,0,0,0|1,0,2]=4 4863 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [0,1,0,0,0,0|1,0,2]=4 4864 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [0,1,0,0,0,0|1,0,2]=4 4865 B10R0.71 CC#CCSCCCCCF 62a_100000729378_100000748600 [0,1,0,0,0,0|1,0,2]=4 4866 B10R0.71 CC#CCSCCCCCF 62a_100000748600_100000729378 [0,1,0,0,0,0|1,0,2]=4 4867 B10R0.71 CC#CCSCCCCCO 62a_100000746330_100000748600 [0,1,0,0,0,0|0,0,2]=3 4868 B10R0.71 CC#CCSCCCCCO 62a_100000748600_100000746330 [0,1,0,0,0,0|0,0,2]=3 4869 B10R0.71 CC#CCSCCCCOC 62a_100000730899_100000748600 [0,1,0,0,0,0|1,0,2]=4 4870 B10R0.71 CC#CCSCCCCOC 62a_100000748600_100000730899 [0,1,0,0,0,0|1,0,2]=4 4871 B10R0.71 CC#CCSCCOCCO 62a_100000748600_100011215305 [0,1,0,0,0,0|1,0,2]=4 4872 B10R0.71 CC#CCSCCOCCO 62a_100011215305_100000748600 [0,1,0,0,0,0|1,0,2]=4 4873 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [0,1,0,0,0,0|1,0,2]=4 4874 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [0,1,0,0,0,0|1,0,2]=4 4875 B10R0.71 CC/C=C/CCCOCCF 34a_100016287902_100011217306 [0,1,0,0,0,0|1,0,2]=4 4876 B10R0.71 CC/C=C/CCCOCCF 7a_100016287902_100011217306 [0,1,0,0,0,0|1,0,2]=4 4877 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [0,1,0,0,0,0|0,0,2]=3 4878 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [0,1,0,0,0,0|0,0,2]=3 4879 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [0,1,0,0,0,0|1,0,2]=4 4880 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,1,0,0,0,0|0,0,2]=3 4881 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,1,0,0,0,0|0,0,2]=3 4882 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,1,0,0,0,0|0,0,2]=3 4883 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,1,0,0,0,0|0,0,2]=3 4884 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [0,1,0,0,0,0|1,0,2]=4 4885 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [0,1,0,0,0,0|1,0,2]=4 4886 B10R0.71 CC/C=C\CCCCOCF 34a_100016287862_100015361967 [0,1,0,0,0,0|1,0,2]=4 4887 B10R0.71 CC/C=C\CCCCOCF 7a_100016287862_100015361967 [0,1,0,0,0,0|1,0,2]=4 4888 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [0,1,0,0,0,0|1,0,2]=4 4889 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [0,1,0,0,0,0|1,0,2]=4 4890 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [0,1,0,0,0,0|1,0,2]=4 4891 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [0,1,0,0,0,0|1,0,2]=4 4892 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [0,1,0,0,0,0|1,0,2]=4 4893 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [0,1,0,0,0,0|1,0,2]=4 4894 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [0,1,0,0,0,0|1,0,2]=4 4895 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [0,1,0,0,0,0|1,0,2]=4 4896 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [0,1,0,0,0,0|1,0,2]=4 4897 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [0,1,0,0,0,0|1,0,2]=4 4898 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [0,1,0,0,0,0|1,0,2]=4 4899 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [0,1,0,0,0,0|1,0,2]=4 4900 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [0,1,0,0,0,0|1,0,2]=4 4901 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [0,1,0,0,0,0|1,0,2]=4 4902 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [0,1,0,0,0,0|1,0,2]=4 4903 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [0,1,0,0,0,0|0,0,2]=3 4904 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [0,1,0,0,0,0|0,0,2]=3 4905 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [0,1,0,0,0,0|1,0,2]=4 4906 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [0,1,0,0,0,0|1,0,2]=4 4907 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [0,1,0,0,0,0|1,0,2]=4 4908 B10R0.71 CC/C=C\CCOCCON 34a_100000700252_100015370543 [0,1,0,0,0,0|1,0,2]=4 4909 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [0,1,0,0,0,0|1,0,2]=4 4910 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [0,1,0,0,0,0|1,0,2]=4 4911 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [0,1,0,0,0,0|1,0,2]=4 4912 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [0,1,0,0,0,0|1,0,2]=4 4913 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [0,1,0,0,0,0|0,0,2]=3 4914 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [0,1,0,0,0,0|0,0,2]=3 4915 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [0,1,0,0,0,0|1,0,2]=4 4916 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [0,1,0,0,0,0|1,0,2]=4 4917 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [0,1,0,0,0,0|1,0,2]=4 4918 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [0,1,0,0,0,0|0,0,2]=3 4919 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [0,1,0,0,0,0|0,0,2]=3 4920 B10R0.71 CC/C=C\CNCCCOC 34a_100150723488_100103147603 [0,1,0,0,0,0|1,0,2]=4 4921 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [0,1,0,0,0,0|1,0,2]=4 4922 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [0,1,0,0,0,0|1,0,2]=4 4923 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [0,1,0,0,0,0|1,0,2]=4 4924 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [0,1,0,0,0,0|1,0,2]=4 4925 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [0,1,0,0,0,0|1,0,2]=4 4926 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [0,1,0,0,0,0|1,0,2]=4 4927 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [0,1,0,0,0,0|1,0,2]=4 4928 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [0,1,0,0,0,0|1,0,2]=4 4929 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [0,1,0,0,0,0|1,0,2]=4 4930 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [0,1,0,0,0,0|1,0,2]=4 4931 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [0,1,0,0,0,0|1,0,2]=4 4932 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [0,1,0,0,0,0|0,0,2]=3 4933 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [0,1,0,0,0,0|1,0,2]=4 4934 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [0,1,0,0,0,0|1,0,2]=4 4935 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [0,1,0,0,0,0|1,0,2]=4 4936 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [0,1,0,0,0,0|1,0,2]=4 4937 B10R0.71 CC/C=C\CSCCCCF 62a_100000729493_100103147603 [0,1,0,0,0,0|1,0,2]=4 4938 B10R0.71 CC/C=C\CSCCCCF 62a_100103147603_100000729493 [0,1,0,0,0,0|1,0,2]=4 4939 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [0,1,0,0,0,0|0,0,2]=3 4940 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [0,1,0,0,0,0|0,0,2]=3 4941 B10R0.71 CC/C=C\CSCCCOC 62a_100000709357_100103147603 [0,1,0,0,0,0|1,0,2]=4 4942 B10R0.71 CC/C=C\CSCCCOC 62a_100103147603_100000709357 [0,1,0,0,0,0|1,0,2]=4 4943 B10R0.71 CC=C=CCCOCCCO 34a_100011020354_100000230001 [0,1,0,0,0,0|0,0,3]=4 4944 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [0,1,0,0,0,0|1,0,2]=4 4945 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [0,1,0,0,0,0|1,0,2]=4 4946 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [0,1,0,0,0,0|0,0,2]=3 4947 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [0,1,0,0,0,0|1,0,2]=4 4948 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [0,1,0,0,0,0|1,0,2]=4 4949 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [0,1,0,0,0,0|0,0,2]=3 4950 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [0,1,0,0,0,0|0,0,2]=3 4951 B10R0.71 CC=CCNCCOCCO 2230a_100000211614_100000070051 [0,1,0,0,0,0|1,0,2]=4 4952 B10R0.71 CC=CCNCCOCCO 34a_100000211614_100000070051 [0,1,0,0,0,0|1,0,2]=4 4953 B10R0.71 CC=CCNCCSCCO 2230a_100011219999_100000070051 [0,1,0,0,0,0|1,0,2]=4 4954 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [0,1,0,0,0,0|1,0,2]=4 4955 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [0,1,0,0,0,0|1,0,2]=4 4956 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [0,1,0,0,0,0|1,0,2]=4 4957 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [0,1,0,0,0,0|1,0,2]=4 4958 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [0,1,0,0,0,0|1,0,2]=4 4959 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [0,1,0,0,0,0|1,0,2]=4 4960 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [0,1,0,0,0,0|1,0,2]=4 4961 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [0,1,0,0,0,0|1,0,2]=4 4962 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [0,1,0,0,0,0|1,0,2]=4 4963 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [0,1,0,0,0,0|1,0,2]=4 4964 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [0,1,0,0,0,0|1,0,2]=4 4965 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [0,1,0,0,0,0|1,0,2]=4 4966 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [0,1,0,0,0,0|1,0,2]=4 4967 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [0,1,0,0,0,0|1,0,2]=4 4968 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [0,1,0,0,0,0|0,0,2]=3 4969 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [0,1,0,0,0,0|0,0,2]=3 4970 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [0,1,0,0,0,0|1,0,2]=4 4971 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [0,1,0,0,0,0|1,0,2]=4 4972 B10R0.71 CC=CCSCCOCCO 62a_100000070051_100011215305 [0,1,0,0,0,0|1,0,2]=4 4973 B10R0.71 CC=CCSCCOCCO 62a_100011215305_100000070051 [0,1,0,0,0,0|1,0,2]=4 4974 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [0,1,0,0,0,0|1,0,2]=4 4975 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [0,1,0,0,0,0|1,0,2]=4 4976 B10R0.71 CCC#CCCOCCCF 34a_100000036655_100011934791 [0,1,0,0,0,0|1,0,2]=4 4977 B10R0.71 CCC#CCCOCCCF 7a_100000036655_100011934791 [0,1,0,0,0,0|1,0,2]=4 4978 B10R0.71 CCC#CCCOCCCO 34a_100000036655_100000230001 [0,1,0,0,0,0|0,0,2]=3 4979 B10R0.71 CCC#CCCOCCCO 7a_100000036655_100011215043 [0,1,0,0,0,0|0,0,2]=3 4980 B10R0.71 CCC#CCCOCCOC 34a_100000036655_100011201679 [0,1,0,0,0,0|1,0,2]=4 4981 B10R0.71 CCC#CCCOCCOC 7a_100000036655_100000233755 [0,1,0,0,0,0|1,0,2]=4 4982 B10R0.71 CCC#CCNCCCCC 2230a_100000209983_100009813939 [0,1,0,0,0,0|1,0,2]=4 4983 B10R0.71 CCC#CCNCCCCO 2230a_100000750430_100009813939 [0,1,0,0,0,0|0,0,2]=3 4984 B10R0.71 CCC#CCNCCCCO 34a_100000750430_100009813939 [0,1,0,0,0,0|0,0,2]=3 4985 B10R0.71 CCC#CCNCCCOC 34a_100150723488_100009813939 [0,1,0,0,0,0|1,0,2]=4 4986 B10R0.71 CCC#CCOCCCCBr 34a_100011216708_100009813939 [0,1,0,0,0,0|1,0,2]=4 4987 B10R0.71 CCC#CCOCCCCC 34a_100000032950_100000718602 [0,1,0,0,0,0|1,0,2]=4 4988 B10R0.71 CCC#CCOCCCCC 34a_100000210253_100009813939 [0,1,0,0,0,0|1,0,2]=4 4989 B10R0.71 CCC#CCOCCCCC 7a_100000210253_100009813939 [0,1,0,0,0,0|1,0,2]=4 4990 B10R0.71 CCC#CCOCCCCCl 34a_100000210776_100009813939 [0,1,0,0,0,0|1,0,2]=4 4991 B10R0.71 CCC#CCOCCCCCl 7a_100000210776_100009813939 [0,1,0,0,0,0|1,0,2]=4 4992 B10R0.71 CCC#CCOCCCCF 34a_100000032950_100000729493 [0,1,0,0,0,0|1,0,2]=4 4993 B10R0.71 CCC#CCOCCCCF 34a_100011995726_100009813939 [0,1,0,0,0,0|1,0,2]=4 4994 B10R0.71 CCC#CCOCCCCF 7a_100011995726_100009813939 [0,1,0,0,0,0|1,0,2]=4 4995 B10R0.71 CCC#CCOCCCCI 34a_200012148704_100009813939 [0,1,0,0,0,0|1,0,2]=4 4996 B10R0.71 CCC#CCOCCCCN 34a_100000750430_100009813939 [0,1,0,0,0,0|1,0,2]=4 4997 B10R0.71 CCC#CCOCCCCO 34a_100000032950_100011216708 [0,1,0,0,0,0|0,0,2]=3 4998 B10R0.71 CCC#CCOCCCOC 34a_100000032950_100000740836 [0,1,0,0,0,0|1,0,2]=4 4999 B10R0.71 CCC#CCOCCCOC 34a_100000740835_100009813939 [0,1,0,0,0,0|1,0,2]=4 5000 B10R0.71 CCC#CCSCCCCC 62a_100000210326_100009813939 [0,1,0,0,0,0|1,0,2]=4 5001 B10R0.71 CCC#CCSCCCCC 62a_100009813939_100000210326 [0,1,0,0,0,0|1,0,2]=4 5002 B10R0.71 CCC#CCSCCCCF 62a_100000729493_100009813939 [0,1,0,0,0,0|1,0,2]=4 5003 B10R0.71 CCC#CCSCCCCF 62a_100009813939_100000729493 [0,1,0,0,0,0|1,0,2]=4 5004 B10R0.71 CCC#CCSCCCCO 62a_100000210776_100009813939 [0,1,0,0,0,0|0,0,2]=3 5005 B10R0.71 CCC#CCSCCCCO 62a_100009813939_100000210776 [0,1,0,0,0,0|0,0,2]=3 5006 B10R0.71 CCC#CCSCCCOC 62a_100000709357_100009813939 [0,1,0,0,0,0|1,0,2]=4 5007 B10R0.71 CCC#CCSCCCOC 62a_100009813939_100000709357 [0,1,0,0,0,0|1,0,2]=4 5008 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [0,1,0,0,0,0|1,0,2]=4 5009 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [0,1,0,0,0,0|1,0,2]=4 5010 B10R0.71 CCC/C=C/COCCCF 34a_100016278788_100011934791 [0,1,0,0,0,0|1,0,2]=4 5011 B10R0.71 CCC/C=C/COCCCF 7a_100016278788_100011934791 [0,1,0,0,0,0|1,0,2]=4 5012 B10R0.71 CCC/C=C/COCCCO 34a_100016278788_100000230001 [0,1,0,0,0,0|0,0,2]=3 5013 B10R0.71 CCC/C=C/COCCCO 7a_100016278788_100011215043 [0,1,0,0,0,0|0,0,2]=3 5014 B10R0.71 CCC/C=C/COCCOC 34a_100016278788_100011201679 [0,1,0,0,0,0|1,0,2]=4 5015 B10R0.71 CCC/C=C/COCCOC 7a_100016278788_100000233755 [0,1,0,0,0,0|1,0,2]=4 5016 B10R0.71 CCCC#CCCOCCC 34a_100000042726_100000210303 [0,1,0,0,0,0|1,0,2]=4 5017 B10R0.71 CCCC#CCCOCCC 7a_100000042726_100000210303 [0,1,0,0,0,0|1,0,2]=4 5018 B10R0.71 CCCC#CCCOCCF 34a_100000042726_100011217306 [0,1,0,0,0,0|1,0,2]=4 5019 B10R0.71 CCCC#CCCOCCF 7a_100000042726_100011217306 [0,1,0,0,0,0|1,0,2]=4 5020 B10R0.71 CCCC#CCCOCCO 34a_100000042726_100000211926 [0,1,0,0,0,0|0,0,2]=3 5021 B10R0.71 CCCC#CCCOCCO 7a_100000042726_100000211926 [0,1,0,0,0,0|0,0,2]=3 5022 B10R0.71 CCCC#CCOCCCC 34a_100000034806_100000210210 [0,1,0,0,0,0|1,0,2]=4 5023 B10R0.71 CCCC#CCOCCCC 7a_100000034806_100000210211 [0,1,0,0,0,0|1,0,2]=4 5024 B10R0.71 CCCC#CCOCCCF 34a_100000034806_100011934791 [0,1,0,0,0,0|1,0,2]=4 5025 B10R0.71 CCCC#CCOCCCF 7a_100000034806_100011934791 [0,1,0,0,0,0|1,0,2]=4 5026 B10R0.71 CCCC#CCOCCCO 34a_100000034806_100000230001 [0,1,0,0,0,0|0,0,2]=3 5027 B10R0.71 CCCC#CCOCCCO 7a_100000034806_100011215043 [0,1,0,0,0,0|0,0,2]=3 5028 B10R0.71 CCCC#CCOCCOC 34a_100000034806_100011201679 [0,1,0,0,0,0|1,0,2]=4 5029 B10R0.71 CCCC#CCOCCOC 7a_100000034806_100000233755 [0,1,0,0,0,0|1,0,2]=4 5030 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [0,1,0,0,0,0|1,0,2]=4 5031 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [0,1,0,0,0,0|1,0,2]=4 5032 B10R0.71 CCCC/C=C/COCCF 34a_200016272032_100011217306 [0,1,0,0,0,0|1,0,2]=4 5033 B10R0.71 CCCC/C=C/COCCF 7a_200016272032_100011217306 [0,1,0,0,0,0|1,0,2]=4 5034 B10R0.71 CCCC/C=C/COCCO 34a_200016272032_100000211926 [0,1,0,0,0,0|0,0,2]=3 5035 B10R0.71 CCCC/C=C/COCCO 7a_200016272032_100000211926 [0,1,0,0,0,0|0,0,2]=3 5036 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [0,1,0,0,0,0|1,0,2]=4 5037 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [0,1,0,0,0,0|1,0,2]=4 5038 B10R0.71 CCCC/C=C\CCOCF 34a_200016286491_100015361967 [0,1,0,0,0,0|1,0,2]=4 5039 B10R0.71 CCCC/C=C\CCOCF 7a_200016286491_100015361967 [0,1,0,0,0,0|1,0,2]=4 5040 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [0,1,0,0,0,0|2,0,1]=4 5041 B10R0.71 CCCCC#CCCCNC 2230a_106832991635_200000047210 [0,1,0,0,0,0|1,0,2]=4 5042 B10R0.71 CCCCC#CCCCNC 34a_100102657272_200000047210 [0,1,0,0,0,0|1,0,2]=4 5043 B10R0.71 CCCCC#CCCCNC 7a_106832991635_200000047210 [0,1,0,0,0,0|1,0,2]=4 5044 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [0,1,0,0,0,0|0,0,2]=3 5045 B10R0.71 CCCCC#CCCCSC 62a_200000047210_200000210301 [0,1,0,0,0,0|0,1,2]=4 5046 B10R0.71 CCCCC#CCCCSC 62a_200000210301_200000047210 [0,1,0,0,0,0|0,1,2]=4 5047 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200000047210_200025704644 [0,1,0,0,0,0|0,1,2]=4 5048 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200025704644_200000047210 [0,1,0,0,0,0|0,1,2]=4 5049 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [0,1,0,0,0,0|1,0,2]=4 5050 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [0,1,0,0,0,0|1,0,2]=4 5051 B10R0.71 CCCCC#CCCOCF 34a_100000037610_100015361967 [0,1,0,0,0,0|1,0,2]=4 5052 B10R0.71 CCCCC#CCCOCF 7a_100000037610_100015361967 [0,1,0,0,0,0|1,0,2]=4 5053 B10R0.71 CCCCC#CCOCCC 34a_200000034558_100000210303 [0,1,0,0,0,0|1,0,2]=4 5054 B10R0.71 CCCCC#CCOCCC 7a_200000034558_100000210303 [0,1,0,0,0,0|1,0,2]=4 5055 B10R0.71 CCCCC#CCOCCF 34a_200000034558_100011217306 [0,1,0,0,0,0|1,0,2]=4 5056 B10R0.71 CCCCC#CCOCCF 7a_200000034558_100011217306 [0,1,0,0,0,0|1,0,2]=4 5057 B10R0.71 CCCCC#CCOCCO 34a_200000034558_100000211926 [0,1,0,0,0,0|0,0,2]=3 5058 B10R0.71 CCCCC#CCOCCO 7a_200000034558_100000211926 [0,1,0,0,0,0|0,0,2]=3 5059 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [0,1,0,0,0,0|1,0,2]=4 5060 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [0,1,0,0,0,0|1,0,2]=4 5061 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [0,1,0,0,0,0|1,0,2]=4 5062 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [0,1,0,0,0,0|1,0,2]=4 5063 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [0,1,0,0,0,0|0,0,2]=3 5064 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [0,1,0,0,0,0|0,0,2]=3 5065 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [0,1,0,0,0,0|0,0,2]=3 5066 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [0,1,0,0,0,0|0,0,2]=3 5067 B10R0.71 CCCCC=NNCCCC 4a_100025702795_100000210104 [0,1,0,0,0,0|2,0,1]=4 5068 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [0,1,0,0,0,0|0,0,2]=3 5069 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [0,1,0,0,0,0|0,0,2]=3 5070 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [0,1,0,0,0,0|0,0,2]=3 5071 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [0,1,0,0,0,0|0,0,2]=3 5072 B10R0.71 CCCCCC#CCNCC 2230a_100015525214_100009816472 [0,1,0,0,0,0|1,0,2]=4 5073 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [0,1,0,0,0,0|1,0,2]=4 5074 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [0,1,0,0,0,0|1,0,2]=4 5075 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [0,1,0,0,0,0|1,0,2]=4 5076 B10R0.71 CCCCCC#CCOCF 34a_200000033628_100015361967 [0,1,0,0,0,0|1,0,2]=4 5077 B10R0.71 CCCCCC#CCOCF 7a_200000033628_100015361967 [0,1,0,0,0,0|1,0,2]=4 5078 B10R0.71 CCCCCC#CCSCC 62a_100000210202_100009816472 [0,1,0,0,0,0|1,0,2]=4 5079 B10R0.71 CCCCCC#CCSCC 62a_100009816472_100000210202 [0,1,0,0,0,0|1,0,2]=4 5080 B10R0.71 CCCCCC#CCSCF 62a_100009816472_100015361967 [0,1,0,0,0,0|1,0,2]=4 5081 B10R0.71 CCCCCC#CCSCF 62a_100015361967_100009816472 [0,1,0,0,0,0|1,0,2]=4 5082 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,1,0,0,0,0|0,0,2]=3 5083 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,1,0,0,0,0|0,0,2]=3 5084 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,1,0,0,0,0|0,0,2]=3 5085 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,1,0,0,0,0|0,0,2]=3 5086 B10R0.71 CCCCCC=NNCCC 4a_100000740057_100000737632 [0,1,0,0,0,0|2,0,1]=4 5087 B10R0.71 CCCCCC=NNCCO 4a_100000210001_100000737632 [0,1,0,0,0,0|1,0,1]=3 5088 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [0,1,0,0,0,0|0,0,2]=3 5089 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [0,1,0,0,0,0|0,0,2]=3 5090 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [0,1,0,0,0,0|0,0,2]=3 5091 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [0,1,0,0,0,0|0,0,2]=3 5092 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [0,1,0,0,0,0|2,0,1]=4 5093 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [0,1,0,0,0,0|1,0,0]=2 5094 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [0,1,0,0,0,0|1,0,0]=2 5095 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [0,1,0,0,0,0|1,0,0]=2 5096 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [0,1,0,0,0,0|1,0,0]=2 5097 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [0,1,0,0,0,0|1,0,0]=2 5098 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [0,1,0,0,0,0|1,0,0]=2 5099 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [0,1,0,0,0,0|1,0,0]=2 5100 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [0,1,0,0,0,0|0,0,0]=1 5101 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [0,1,0,0,0,0|0,0,0]=1 5102 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [0,1,0,0,0,0|0,0,0]=1 5103 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [0,1,0,0,0,0|0,0,0]=1 5104 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [0,1,0,0,0,0|0,0,0]=1 5105 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [0,1,0,0,0,0|0,1,0]=2 5106 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [0,1,0,0,0,0|0,1,0]=2 5107 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [0,1,0,0,0,0|1,0,0]=2 5108 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [0,1,0,0,0,0|1,0,0]=2 5109 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [0,1,0,0,0,0|1,0,0]=2 5110 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [0,1,0,0,0,0|1,0,0]=2 5111 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [0,1,0,0,0,0|1,0,0]=2 5112 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [0,1,0,0,0,0|1,0,0]=2 5113 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [0,1,0,0,0,0|1,0,0]=2 5114 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [0,1,0,0,0,0|1,0,0]=2 5115 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [0,1,0,0,0,0|1,0,0]=2 5116 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [0,1,0,0,0,0|1,0,0]=2 5117 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [0,1,0,0,0,0|1,0,0]=2 5118 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [0,1,0,0,0,0|1,0,0]=2 5119 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [0,1,0,0,0,0|1,0,0]=2 5120 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [0,1,0,0,0,0|1,0,1]=3 5121 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [0,1,0,0,0,0|0,0,2]=3 5122 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [0,1,0,0,0,0|1,0,0]=2 5123 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [0,1,0,0,0,0|1,0,0]=2 5124 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [0,1,0,0,0,0|1,0,0]=2 5125 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [0,1,0,0,0,0|0,0,0]=1 5126 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [0,1,0,0,0,0|0,0,0]=1 5127 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [0,1,0,0,0,0|0,0,0]=1 5128 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [0,1,0,0,0,0|1,0,0]=2 5129 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [0,1,0,0,0,0|1,1,0]=3 5130 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [0,1,0,0,0,0|1,0,1]=3 5131 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [0,1,0,0,0,0|0,0,2]=3 5132 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [0,1,0,0,0,0|0,0,2]=3 5133 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [0,1,0,0,0,0|1,0,0]=2 5134 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [0,1,0,0,0,0|1,0,0]=2 5135 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [0,1,0,0,0,0|1,0,0]=2 5136 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [0,1,0,0,0,0|1,0,0]=2 5137 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [0,1,0,0,0,0|1,0,0]=2 5138 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [0,1,0,0,0,0|1,0,0]=2 5139 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [0,1,0,0,0,0|1,0,0]=2 5140 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,1,0,0,0,0|0,0,0]=1 5141 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,1,0,0,0,0|0,0,0]=1 5142 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [0,1,0,0,0,0|1,1,0]=3 5143 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [0,1,0,0,0,0|1,0,1]=3 5144 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [0,1,0,0,0,0|1,0,1]=3 5145 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [0,1,0,0,0,0|0,0,2]=3 5146 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [0,1,0,0,0,0|0,0,2]=3 5147 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [0,1,0,0,0,0|1,0,0]=2 5148 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [0,1,0,0,0,0|1,0,0]=2 5149 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [0,1,0,0,0,0|1,0,0]=2 5150 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [0,1,0,0,0,0|1,0,0]=2 5151 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [0,1,0,0,0,0|0,0,0]=1 5152 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [0,1,0,0,0,0|0,0,0]=1 5153 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [0,1,0,0,0,0|1,0,0]=2 5154 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [0,1,0,0,0,0|1,0,0]=2 5155 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [0,1,0,0,0,0|1,1,0]=3 5156 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [0,1,0,0,0,0|1,1,0]=3 5157 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [0,1,0,0,0,0|1,0,1]=3 5158 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [0,1,0,0,0,0|1,0,0]=2 5159 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [0,1,0,0,0,0|1,0,0]=2 5160 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [0,1,0,0,0,0|1,0,0]=2 5161 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [0,1,0,0,0,0|1,0,0]=2 5162 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [0,1,0,0,0,0|1,0,0]=2 5163 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [0,1,0,0,0,0|1,0,0]=2 5164 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [0,1,0,0,0,0|0,0,0]=1 5165 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [0,1,0,0,0,0|1,0,0]=2 5166 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [0,1,0,0,0,0|1,0,0]=2 5167 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [0,1,0,0,0,0|1,1,0]=3 5168 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [0,1,0,0,0,0|1,1,0]=3 5169 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [0,1,0,0,0,0|1,0,1]=3 5170 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [0,1,0,0,0,0|1,0,0]=2 5171 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [0,1,0,0,0,0|1,0,0]=2 5172 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [0,1,0,0,0,0|1,0,0]=2 5173 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [0,1,0,0,0,0|1,0,0]=2 5174 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [0,1,0,0,0,0|1,0,0]=2 5175 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [0,1,0,0,0,0|1,0,0]=2 5176 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [0,1,0,0,0,0|1,0,0]=2 5177 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [0,1,0,0,0,0|1,0,0]=2 5178 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [0,1,0,0,0,0|1,0,0]=2 5179 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [0,1,0,0,0,0|1,0,0]=2 5180 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [0,1,0,0,0,0|0,0,0]=1 5181 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [0,1,0,0,0,0|0,0,0]=1 5182 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [0,1,0,0,0,0|1,0,0]=2 5183 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [0,1,0,0,0,0|1,0,0]=2 5184 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [0,1,0,0,0,0|1,0,0]=2 5185 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [0,1,0,0,0,0|1,0,0]=2 5186 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [0,1,0,0,0,0|1,0,0]=2 5187 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [0,1,0,0,0,0|1,0,0]=2 5188 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [0,1,0,0,0,0|1,0,0]=2 5189 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [0,1,0,0,0,0|1,0,0]=2 5190 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [0,1,0,0,0,0|1,1,0]=3 5191 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [0,1,0,0,0,0|1,1,0]=3 5192 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [0,1,0,0,0,0|1,1,0]=3 5193 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [0,1,0,0,0,0|1,1,0]=3 5194 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [0,1,0,0,0,0|1,0,1]=3 5195 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [0,1,0,0,0,0|1,0,1]=3 5196 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [0,1,0,0,0,0|1,0,0]=2 5197 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [0,1,0,0,0,0|1,0,0]=2 5198 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [0,1,0,0,0,0|1,0,0]=2 5199 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [0,1,0,0,0,0|1,0,0]=2 5200 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [0,1,0,0,0,0|0,0,0]=1 5201 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [0,1,0,0,0,0|0,0,0]=1 5202 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [0,1,0,0,0,0|1,0,0]=2 5203 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [0,1,0,0,0,0|1,0,0]=2 5204 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [0,1,0,0,0,0|1,1,0]=3 5205 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [0,1,0,0,0,0|1,1,0]=3 5206 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [0,1,0,0,0,0|2,0,0]=3 5207 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [0,1,0,0,0,0|2,0,0]=3 5208 B10R0.71 CCCCCCSCSC#N 62a_100000210314_100000211825 [0,1,0,0,0,0|2,0,1]=4 5209 B10R0.71 CCCCCCSCSC#N 62a_100000211825_100000210757 [0,1,0,0,0,0|2,0,1]=4 5210 B10R0.71 CCCCCNCC#CCO 2230a_100000209983_200000047223 [0,1,0,0,0,0|0,0,2]=3 5211 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [0,1,0,0,0,0|1,0,1]=3 5212 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [0,1,0,0,0,0|0,0,2]=3 5213 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [0,1,0,0,0,0|1,0,0]=2 5214 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [0,1,0,0,0,0|1,0,0]=2 5215 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [0,1,0,0,0,0|0,0,0]=1 5216 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [0,1,0,0,0,0|0,0,0]=1 5217 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [0,1,0,0,0,0|0,0,0]=1 5218 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [0,1,0,0,0,0|1,0,0]=2 5219 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [0,1,0,0,0,0|1,0,0]=2 5220 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [0,1,0,0,0,0|1,1,0]=3 5221 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [0,1,0,0,0,0|2,0,0]=3 5222 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [0,1,0,0,0,0|2,0,0]=3 5223 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [0,1,0,0,0,0|2,0,0]=3 5224 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [0,1,0,0,0,0|2,0,0]=3 5225 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [0,1,0,0,0,0|2,0,0]=3 5226 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [0,1,0,0,0,0|2,0,0]=3 5227 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [0,1,0,0,0,0|2,0,0]=3 5228 B10R0.71 CCCCCOCC#CCCl 34a_200000047223_100000718602 [0,1,0,0,0,0|1,0,2]=4 5229 B10R0.71 CCCCCOCC#CCO 34a_100000210253_200000047223 [0,1,0,0,0,0|0,0,2]=3 5230 B10R0.71 CCCCCOCC#CCO 7a_100000210253_200000047223 [0,1,0,0,0,0|0,0,2]=3 5231 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [0,1,0,0,0,0|1,0,1]=3 5232 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [0,1,0,0,0,0|0,0,2]=3 5233 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [0,1,0,0,0,0|1,0,0]=2 5234 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [0,1,0,0,0,0|1,0,0]=2 5235 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [0,1,0,0,0,0|1,0,0]=2 5236 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [0,1,0,0,0,0|1,0,0]=2 5237 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [0,1,0,0,0,0|1,0,0]=2 5238 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [0,1,0,0,0,0|1,0,0]=2 5239 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [0,1,0,0,0,0|1,0,0]=2 5240 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [0,1,0,0,0,0|1,0,0]=2 5241 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [0,1,0,0,0,0|1,0,0]=2 5242 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [0,1,0,0,0,0|1,0,0]=2 5243 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [0,1,0,0,0,0|1,0,0]=2 5244 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [0,1,0,0,0,0|0,0,0]=1 5245 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [0,1,0,0,0,0|0,0,0]=1 5246 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [0,1,0,0,0,0|2,0,0]=3 5247 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [0,1,0,0,0,0|1,0,0]=2 5248 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [0,1,0,0,0,0|1,0,0]=2 5249 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [0,1,0,0,0,0|1,0,0]=2 5250 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [0,1,0,0,0,0|1,1,0]=3 5251 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [0,1,0,0,0,0|1,1,0]=3 5252 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [0,1,0,0,0,0|2,0,0]=3 5253 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [0,1,0,0,0,0|2,0,0]=3 5254 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [0,1,0,0,0,0|2,0,0]=3 5255 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [0,1,0,0,0,0|2,0,0]=3 5256 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [0,1,0,0,0,0|2,0,0]=3 5257 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [0,1,0,0,0,0|2,0,0]=3 5258 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [0,1,0,0,0,0|2,0,0]=3 5259 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [0,1,0,0,0,0|2,0,0]=3 5260 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [0,1,0,0,0,0|2,0,0]=3 5261 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [0,1,0,0,0,0|2,0,0]=3 5262 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [0,1,0,0,0,0|2,0,0]=3 5263 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [0,1,0,0,0,0|2,0,0]=3 5264 B10R0.71 CCCCCSCC#CCO 62a_100000210326_200000047223 [0,1,0,0,0,0|0,0,2]=3 5265 B10R0.71 CCCCCSCC#CCO 62a_200000047223_100000210326 [0,1,0,0,0,0|0,0,2]=3 5266 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [0,1,0,0,0,0|1,0,1]=3 5267 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [0,1,0,0,0,0|1,0,1]=3 5268 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [0,1,0,0,0,0|0,0,2]=3 5269 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [0,1,0,0,0,0|0,0,2]=3 5270 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [0,1,0,0,0,0|1,0,0]=2 5271 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [0,1,0,0,0,0|1,0,0]=2 5272 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [0,1,0,0,0,0|1,0,0]=2 5273 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [0,1,0,0,0,0|0,0,0]=1 5274 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [0,1,0,0,0,0|0,0,0]=1 5275 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [0,1,0,0,0,0|1,0,0]=2 5276 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [0,1,0,0,0,0|1,0,0]=2 5277 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [0,1,0,0,0,0|2,0,0]=3 5278 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [0,1,0,0,0,0|2,0,0]=3 5279 B10R0.71 CCCCCSCCSC#N 62a_100000034367_100000210326 [0,1,0,0,0,0|2,0,1]=4 5280 B10R0.71 CCCCCSCCSC#N 62a_100000210326_100000034367 [0,1,0,0,0,0|2,0,1]=4 5281 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [0,1,0,0,0,0|2,0,0]=3 5282 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [0,1,0,0,0,0|2,0,0]=3 5283 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [0,1,0,0,0,0|1,0,1]=3 5284 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [0,1,0,0,0,0|1,0,1]=3 5285 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [0,1,0,0,0,0|0,0,2]=3 5286 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [0,1,0,0,0,0|0,0,2]=3 5287 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [0,1,0,0,0,0|1,0,0]=2 5288 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [0,1,0,0,0,0|1,0,0]=2 5289 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [0,1,0,0,0,0|0,0,0]=1 5290 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [0,1,0,0,0,0|0,0,0]=1 5291 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [0,1,0,0,0,0|0,0,0]=1 5292 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [0,1,0,0,0,0|0,0,0]=1 5293 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [0,1,0,0,0,0|1,0,0]=2 5294 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [0,1,0,0,0,0|1,0,0]=2 5295 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [0,1,0,0,0,0|1,0,0]=2 5296 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [0,1,0,0,0,0|1,0,0]=2 5297 B10R0.71 CCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210211 [0,1,0,0,0,0|3,0,0]=4 5298 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [0,1,0,0,0,0|2,0,0]=3 5299 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [0,1,0,0,0,0|2,0,0]=3 5300 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [0,1,0,0,0,0|2,0,0]=3 5301 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [0,1,0,0,0,0|2,0,0]=3 5302 B10R0.71 CCCCNCCOCC#N 2230a_100000102301_200000047693 [0,1,0,0,0,0|2,0,1]=4 5303 B10R0.71 CCCCNCCOCC#N 7a_106832991798_200000047693 [0,1,0,0,0,0|2,0,1]=4 5304 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [0,1,0,0,0,0|2,0,0]=3 5305 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [0,1,0,0,0,0|2,0,0]=3 5306 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [0,1,0,0,0,0|2,0,0]=3 5307 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [0,1,0,0,0,0|2,0,0]=3 5308 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [0,1,0,0,0,0|1,0,0]=2 5309 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [0,1,0,0,0,0|1,0,0]=2 5310 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [0,1,0,0,0,0|1,0,0]=2 5311 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [0,1,0,0,0,0|1,0,0]=2 5312 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [0,1,0,0,0,0|2,0,0]=3 5313 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [0,1,0,0,0,0|1,0,0]=2 5314 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [0,1,0,0,0,0|2,0,0]=3 5315 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [0,1,0,0,0,0|2,0,0]=3 5316 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [0,1,0,0,0,0|1,0,1]=3 5317 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [0,1,0,0,0,0|0,0,2]=3 5318 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [0,1,0,0,0,0|1,0,0]=2 5319 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [0,1,0,0,0,0|1,0,0]=2 5320 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [0,1,0,0,0,0|1,0,0]=2 5321 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [0,1,0,0,0,0|1,0,0]=2 5322 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [0,1,0,0,0,0|1,0,0]=2 5323 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [0,1,0,0,0,0|1,0,0]=2 5324 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [0,1,0,0,0,0|1,0,0]=2 5325 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [0,1,0,0,0,0|1,0,0]=2 5326 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [0,1,0,0,0,0|1,0,0]=2 5327 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [0,1,0,0,0,0|0,0,0]=1 5328 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [0,1,0,0,0,0|0,0,0]=1 5329 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [0,1,0,0,0,0|1,0,0]=2 5330 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [0,1,0,0,0,0|1,0,0]=2 5331 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [0,1,0,0,0,0|1,0,0]=2 5332 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [0,1,0,0,0,0|1,0,0]=2 5333 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [0,1,0,0,0,0|1,0,0]=2 5334 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [0,1,0,0,0,0|1,0,0]=2 5335 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [0,1,0,0,0,0|1,0,0]=2 5336 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [0,1,0,0,0,0|1,1,0]=3 5337 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [0,1,0,0,0,0|1,1,0]=3 5338 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [0,1,0,0,0,0|2,0,0]=3 5339 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [0,1,0,0,0,0|2,0,0]=3 5340 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [0,1,0,0,0,0|2,0,0]=3 5341 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [0,1,0,0,0,0|2,0,0]=3 5342 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [0,1,0,0,0,0|2,0,0]=3 5343 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [0,1,0,0,0,0|2,0,0]=3 5344 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [0,1,0,0,0,0|2,0,0]=3 5345 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [0,1,0,0,0,0|2,0,0]=3 5346 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [0,1,0,0,0,0|2,0,0]=3 5347 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [0,1,0,0,0,0|2,0,0]=3 5348 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [0,1,0,0,0,0|2,0,0]=3 5349 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [0,1,0,0,0,0|2,0,0]=3 5350 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [0,1,0,0,0,0|2,0,0]=3 5351 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [0,1,0,0,0,0|2,0,0]=3 5352 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [0,1,0,0,0,0|1,0,0]=2 5353 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [0,1,0,0,0,0|1,0,0]=2 5354 B10R0.71 CCCCOCCOCC#N 7a_100000210227_200000047693 [0,1,0,0,0,0|2,0,1]=4 5355 B10R0.71 CCCCOCCOCC#N 7a_100000210238_100011215382 [0,1,0,0,0,0|2,0,1]=4 5356 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [0,1,0,0,0,0|1,0,2]=4 5357 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [0,1,0,0,0,0|1,0,2]=4 5358 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [0,1,0,0,0,0|2,0,0]=3 5359 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [0,1,0,0,0,0|2,0,0]=3 5360 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [0,1,0,0,0,0|2,0,0]=3 5361 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [0,1,0,0,0,0|2,0,0]=3 5362 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [0,1,0,0,0,0|2,0,0]=3 5363 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [0,1,0,0,0,0|2,0,0]=3 5364 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [0,1,0,0,0,0|2,0,0]=3 5365 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [0,1,0,0,0,0|2,0,0]=3 5366 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [0,1,0,0,0,0|2,0,0]=3 5367 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [0,1,0,0,0,0|2,0,0]=3 5368 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [0,1,0,0,0,0|2,0,0]=3 5369 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [0,1,0,0,0,0|2,0,0]=3 5370 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [0,1,0,0,0,0|2,0,0]=3 5371 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [0,1,0,0,0,0|2,0,0]=3 5372 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [0,1,0,0,0,0|2,0,0]=3 5373 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [0,1,0,0,0,0|2,0,0]=3 5374 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [0,1,0,0,0,0|2,0,0]=3 5375 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [0,1,0,0,0,0|2,0,0]=3 5376 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [0,1,0,0,0,0|2,0,0]=3 5377 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [0,1,0,0,0,0|2,0,0]=3 5378 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [0,1,0,0,0,0|1,0,0]=2 5379 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [0,1,0,0,0,0|1,0,0]=2 5380 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [0,1,0,0,0,0|1,0,0]=2 5381 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [0,1,0,0,0,0|1,0,0]=2 5382 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [0,1,0,0,0,0|2,1,0]=4 5383 B10R0.71 CCCCOCCSCC#N 62a_100000743108_100011215382 [0,1,0,0,0,0|2,0,1]=4 5384 B10R0.71 CCCCOCCSCC#N 62a_100011215382_100000743108 [0,1,0,0,0,0|2,0,1]=4 5385 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [0,1,0,0,0,0|1,0,2]=4 5386 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [0,1,0,0,0,0|1,0,2]=4 5387 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [0,1,0,0,0,0|2,0,0]=3 5388 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [0,1,0,0,0,0|2,0,0]=3 5389 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [0,1,0,0,0,0|2,0,0]=3 5390 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [0,1,0,0,0,0|2,0,0]=3 5391 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [0,1,0,0,0,0|2,0,0]=3 5392 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [0,1,0,0,0,0|2,0,0]=3 5393 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [0,1,0,0,0,0|1,0,0]=2 5394 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [0,1,0,0,0,0|1,0,0]=2 5395 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [0,1,0,0,0,0|2,0,0]=3 5396 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [0,1,0,0,0,0|2,0,0]=3 5397 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [0,1,0,0,0,0|2,1,0]=4 5398 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [0,1,0,0,0,0|2,1,0]=4 5399 B10R0.71 CCCCOCNCCCF 2230a_100015189416_100011995733 [0,1,0,0,0,0|2,0,0]=3 5400 B10R0.71 CCCCOCNCCCF 34a_100015189416_100011995733 [0,1,0,0,0,0|2,0,0]=3 5401 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [0,1,0,0,0,0|2,0,0]=3 5402 B10R0.71 CCCCOCNCCSC 2230a_100020590264_100011995733 [0,1,0,0,0,0|2,1,0]=4 5403 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [0,1,0,0,0,0|2,0,0]=3 5404 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [0,1,0,0,0,0|2,0,0]=3 5405 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [0,1,0,0,0,0|2,0,0]=3 5406 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [0,1,0,0,0,0|2,0,0]=3 5407 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [0,1,0,0,0,0|2,0,0]=3 5408 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [0,1,0,0,0,0|2,0,0]=3 5409 B10R0.71 CCCCOCOCCON 34a_100000700252_100011995733 [0,1,0,0,0,0|2,0,0]=3 5410 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [0,1,0,0,0,0|2,1,0]=4 5411 B10R0.71 CCCCOCSCCC#N 62a_100011215226_100011995733 [0,1,0,0,0,0|2,0,1]=4 5412 B10R0.71 CCCCOCSCCC#N 62a_100011995733_100011215226 [0,1,0,0,0,0|2,0,1]=4 5413 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [0,1,0,0,0,0|2,0,0]=3 5414 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [0,1,0,0,0,0|2,0,0]=3 5415 B10R0.71 CCCCOCSCCCF 62a_100011934791_100011995733 [0,1,0,0,0,0|2,0,0]=3 5416 B10R0.71 CCCCOCSCCCF 62a_100011995733_100011934791 [0,1,0,0,0,0|2,0,0]=3 5417 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [0,1,0,0,0,0|1,0,0]=2 5418 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [0,1,0,0,0,0|1,0,0]=2 5419 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [0,1,0,0,0,0|2,0,0]=3 5420 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [0,1,0,0,0,0|2,0,0]=3 5421 B10R0.71 CCCCOCSCCSC 62a_100000212216_100011995733 [0,1,0,0,0,0|2,1,0]=4 5422 B10R0.71 CCCCOCSCCSC 62a_100011995733_100000751147 [0,1,0,0,0,0|2,1,0]=4 5423 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [0,1,0,0,0,0|3,0,0]=4 5424 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [0,1,0,0,0,0|3,0,0]=4 5425 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [0,1,0,0,0,0|1,0,1]=3 5426 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [0,1,0,0,0,0|1,0,1]=3 5427 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [0,1,0,0,0,0|0,0,2]=3 5428 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [0,1,0,0,0,0|0,0,2]=3 5429 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [0,1,0,0,0,0|1,0,0]=2 5430 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [0,1,0,0,0,0|1,0,0]=2 5431 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [0,1,0,0,0,0|0,0,0]=1 5432 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [0,1,0,0,0,0|0,0,0]=1 5433 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [0,1,0,0,0,0|1,0,0]=2 5434 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [0,1,0,0,0,0|1,0,0]=2 5435 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [0,1,0,0,0,0|2,0,0]=3 5436 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [0,1,0,0,0,0|2,0,0]=3 5437 B10R0.71 CCCCSCCNCC#N 2230a_100025743550_100011215382 [0,1,0,0,0,0|2,0,1]=4 5438 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [0,1,0,0,0,0|1,0,2]=4 5439 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [0,1,0,0,0,0|2,0,0]=3 5440 B10R0.71 CCCCSCCNCCF 2230a_100025743550_100011217306 [0,1,0,0,0,0|2,0,0]=3 5441 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [0,1,0,0,0,0|1,0,0]=2 5442 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [0,1,0,0,0,0|2,0,0]=3 5443 B10R0.71 CCCCSCCNCSC 2230a_100025743550_100011218213 [0,1,0,0,0,0|2,1,0]=4 5444 B10R0.71 CCCCSCCOCC#N 62a_100000210211_200000047693 [0,1,0,0,0,0|2,0,1]=4 5445 B10R0.71 CCCCSCCOCC#N 62a_200000047693_100000210210 [0,1,0,0,0,0|2,0,1]=4 5446 B10R0.71 CCCCSCCOCC#N 7a_200000230436_100011215382 [0,1,0,0,0,0|2,0,1]=4 5447 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [0,1,0,0,0,0|1,0,2]=4 5448 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [0,1,0,0,0,0|1,0,2]=4 5449 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [0,1,0,0,0,0|2,0,0]=3 5450 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [0,1,0,0,0,0|2,0,0]=3 5451 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [0,1,0,0,0,0|2,0,0]=3 5452 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [0,1,0,0,0,0|2,0,0]=3 5453 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [0,1,0,0,0,0|2,0,0]=3 5454 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [0,1,0,0,0,0|2,0,0]=3 5455 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [0,1,0,0,0,0|1,0,0]=2 5456 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [0,1,0,0,0,0|1,0,0]=2 5457 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [0,1,0,0,0,0|1,0,0]=2 5458 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [0,1,0,0,0,0|1,0,0]=2 5459 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [0,1,0,0,0,0|2,1,0]=4 5460 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [0,1,0,0,0,0|2,0,0]=3 5461 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [0,1,0,0,0,0|2,0,0]=3 5462 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [0,1,0,0,0,0|0,0,0]=1 5463 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [0,1,0,0,0,0|0,0,0]=1 5464 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [0,1,0,0,0,0|1,0,0]=2 5465 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [0,1,0,0,0,0|1,0,0]=2 5466 B10R0.71 CCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210303 [0,1,0,0,0,0|3,0,0]=4 5467 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [0,1,0,0,0,0|2,0,0]=3 5468 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [0,1,0,0,0,0|2,0,0]=3 5469 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [0,1,0,0,0,0|2,0,0]=3 5470 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [0,1,0,0,0,0|2,0,0]=3 5471 B10R0.71 CCCNN=CCCCCO 4a_100000740057_100000031955 [0,1,0,0,0,0|1,0,1]=3 5472 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [0,1,0,0,0,0|1,0,0]=2 5473 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [0,1,0,0,0,0|1,0,0]=2 5474 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [0,1,0,0,0,0|1,0,0]=2 5475 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [0,1,0,0,0,0|1,0,0]=2 5476 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [0,1,0,0,0,0|1,0,0]=2 5477 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [0,1,0,0,0,0|1,0,0]=2 5478 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [0,1,0,0,0,0|1,0,0]=2 5479 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [0,1,0,0,0,0|1,0,0]=2 5480 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [0,1,0,0,0,0|0,0,0]=1 5481 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [0,1,0,0,0,0|2,0,0]=3 5482 B10R0.71 CCCOCCCNCC#N 2230a_100011217757_100011215382 [0,1,0,0,0,0|2,0,1]=4 5483 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [0,1,0,0,0,0|1,0,2]=4 5484 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [0,1,0,0,0,0|1,0,2]=4 5485 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [0,1,0,0,0,0|2,0,0]=3 5486 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [0,1,0,0,0,0|2,0,0]=3 5487 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [0,1,0,0,0,0|1,0,0]=2 5488 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [0,1,0,0,0,0|1,0,0]=2 5489 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [0,1,0,0,0,0|2,0,0]=3 5490 B10R0.71 CCCOCCCNCSC 2230a_100011217757_100011218213 [0,1,0,0,0,0|2,1,0]=4 5491 B10R0.71 CCCOCCCNCSC 34a_100011217757_100011218213 [0,1,0,0,0,0|2,1,0]=4 5492 B10R0.71 CCCOCCNCCC#N 2230a_100161115042_100011215226 [0,1,0,0,0,0|2,0,1]=4 5493 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [0,1,0,0,0,0|2,0,0]=3 5494 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [0,1,0,0,0,0|2,0,0]=3 5495 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [0,1,0,0,0,0|2,0,0]=3 5496 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [0,1,0,0,0,0|2,0,0]=3 5497 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [0,1,0,0,0,0|1,0,0]=2 5498 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [0,1,0,0,0,0|1,0,0]=2 5499 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [0,1,0,0,0,0|2,0,0]=3 5500 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [0,1,0,0,0,0|2,0,0]=3 5501 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [0,1,0,0,0,0|2,0,0]=3 5502 B10R0.71 CCCOCCNCCSC 2230a_100020590264_100011215938 [0,1,0,0,0,0|2,1,0]=4 5503 B10R0.71 CCCOCCNCCSC 2230a_100161115042_100000751147 [0,1,0,0,0,0|2,1,0]=4 5504 B10R0.71 CCCOCCNCCSC 34a_100161115042_100000212216 [0,1,0,0,0,0|2,1,0]=4 5505 B10R0.71 CCCOCCOCCC#N 7a_100000752267_100000184422 [0,1,0,0,0,0|2,0,1]=4 5506 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [0,1,0,0,0,0|2,0,0]=3 5507 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [0,1,0,0,0,0|2,0,0]=3 5508 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [0,1,0,0,0,0|2,0,0]=3 5509 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [0,1,0,0,0,0|2,0,0]=3 5510 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [0,1,0,0,0,0|2,0,0]=3 5511 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [0,1,0,0,0,0|2,0,0]=3 5512 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [0,1,0,0,0,0|1,0,0]=2 5513 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [0,1,0,0,0,0|1,0,0]=2 5514 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [0,1,0,0,0,0|3,0,0]=4 5515 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [0,1,0,0,0,0|3,0,0]=4 5516 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [0,1,0,0,0,0|3,0,0]=4 5517 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [0,1,0,0,0,0|3,0,0]=4 5518 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [0,1,0,0,0,0|3,0,0]=4 5519 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [0,1,0,0,0,0|2,0,0]=3 5520 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [0,1,0,0,0,0|2,0,0]=3 5521 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [0,1,0,0,0,0|2,0,0]=3 5522 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [0,1,0,0,0,0|2,0,0]=3 5523 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [0,1,0,0,0,0|2,0,0]=3 5524 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [0,1,0,0,0,0|2,0,0]=3 5525 B10R0.71 CCCOCCOCCON 34a_100000700252_100011215938 [0,1,0,0,0,0|2,0,0]=3 5526 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [0,1,0,0,0,0|2,1,0]=4 5527 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [0,1,0,0,0,0|2,1,0]=4 5528 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [0,1,0,0,0,0|2,1,0]=4 5529 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [0,1,0,0,0,0|2,1,0]=4 5530 B10R0.71 CCCOCCSCCC#N 62a_100011215226_100011215938 [0,1,0,0,0,0|2,0,1]=4 5531 B10R0.71 CCCOCCSCCC#N 62a_100011215938_100011215226 [0,1,0,0,0,0|2,0,1]=4 5532 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [0,1,0,0,0,0|2,0,0]=3 5533 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [0,1,0,0,0,0|2,0,0]=3 5534 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [0,1,0,0,0,0|1,0,0]=2 5535 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [0,1,0,0,0,0|1,0,0]=2 5536 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [0,1,0,0,0,0|2,0,0]=3 5537 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [0,1,0,0,0,0|2,0,0]=3 5538 B10R0.71 CCCOCCSCCSC 62a_100000212216_100011215938 [0,1,0,0,0,0|2,1,0]=4 5539 B10R0.71 CCCOCCSCCSC 62a_100011215938_100000751147 [0,1,0,0,0,0|2,1,0]=4 5540 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [0,1,0,0,0,0|3,0,0]=4 5541 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [0,1,0,0,0,0|3,0,0]=4 5542 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [0,1,0,0,0,0|1,0,1]=3 5543 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [0,1,0,0,0,0|1,0,1]=3 5544 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [0,1,0,0,0,0|0,0,2]=3 5545 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [0,1,0,0,0,0|0,0,2]=3 5546 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [0,1,0,0,0,0|1,0,0]=2 5547 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [0,1,0,0,0,0|1,0,0]=2 5548 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [0,1,0,0,0,0|0,0,0]=1 5549 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [0,1,0,0,0,0|0,0,0]=1 5550 B10R0.71 CCCSCCNCCC#N 2230a_100020603323_100011215226 [0,1,0,0,0,0|2,0,1]=4 5551 B10R0.71 CCCSCCNCCCF 2230a_100020603323_100011934791 [0,1,0,0,0,0|2,0,0]=3 5552 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [0,1,0,0,0,0|1,0,0]=2 5553 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [0,1,0,0,0,0|2,0,0]=3 5554 B10R0.71 CCCSCCNCCSC 2230a_100020603323_100000751147 [0,1,0,0,0,0|2,1,0]=4 5555 B10R0.71 CCCSCCOCCC#N 7a_200000230433_100000184422 [0,1,0,0,0,0|2,0,1]=4 5556 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [0,1,0,0,0,0|2,0,0]=3 5557 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [0,1,0,0,0,0|2,0,0]=3 5558 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [0,1,0,0,0,0|1,0,0]=2 5559 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [0,1,0,0,0,0|1,0,0]=2 5560 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [0,1,0,0,0,0|2,0,0]=3 5561 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [0,1,0,0,0,0|2,0,0]=3 5562 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [0,1,0,0,0,0|2,0,0]=3 5563 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [0,1,0,0,0,0|2,0,0]=3 5564 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [0,1,0,0,0,0|2,1,0]=4 5565 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [0,1,0,0,0,0|2,1,0]=4 5566 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [0,1,0,0,0,0|1,0,1]=3 5567 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [0,1,0,0,0,0|0,0,0]=1 5568 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [0,1,0,0,0,0|0,0,0]=1 5569 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [0,1,0,0,0,0|0,0,0]=1 5570 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [0,1,0,0,0,0|1,0,0]=2 5571 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [0,1,0,0,0,0|1,0,0]=2 5572 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [0,1,0,0,0,0|1,0,0]=2 5573 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [0,1,0,0,0,0|2,0,0]=3 5574 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [0,1,0,0,0,0|2,0,0]=3 5575 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [0,1,0,0,0,0|2,0,0]=3 5576 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [0,1,0,0,0,0|3,0,0]=4 5577 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [0,1,0,0,0,0|3,0,0]=4 5578 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [0,1,0,0,0,0|3,0,0]=4 5579 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [0,1,0,0,0,0|1,0,0]=2 5580 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [0,1,0,0,0,0|1,0,0]=2 5581 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [0,1,0,0,0,0|1,0,0]=2 5582 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [0,1,0,0,0,0|0,0,0]=1 5583 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [0,1,0,0,0,0|1,0,0]=2 5584 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [0,1,0,0,0,0|1,0,0]=2 5585 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [0,1,0,0,0,0|1,0,0]=2 5586 B10R0.71 CCOCCCNCCC#N 2230a_100000210961_100011215226 [0,1,0,0,0,0|2,0,1]=4 5587 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [0,1,0,0,0,0|2,0,0]=3 5588 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [0,1,0,0,0,0|2,0,0]=3 5589 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [0,1,0,0,0,0|2,0,0]=3 5590 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [0,1,0,0,0,0|2,0,0]=3 5591 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [0,1,0,0,0,0|1,0,0]=2 5592 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [0,1,0,0,0,0|1,0,0]=2 5593 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [0,1,0,0,0,0|2,0,0]=3 5594 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [0,1,0,0,0,0|2,0,0]=3 5595 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [0,1,0,0,0,0|2,0,0]=3 5596 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [0,1,0,0,0,0|2,1,0]=4 5597 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [0,1,0,0,0,0|2,1,0]=4 5598 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [0,1,0,0,0,0|2,1,0]=4 5599 B10R0.71 CCOCCCOCCC#N 7a_100000757476_100000184422 [0,1,0,0,0,0|2,0,1]=4 5600 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [0,1,0,0,0,0|2,0,0]=3 5601 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [0,1,0,0,0,0|2,0,0]=3 5602 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [0,1,0,0,0,0|2,0,0]=3 5603 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [0,1,0,0,0,0|2,0,0]=3 5604 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [0,1,0,0,0,0|2,0,0]=3 5605 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [0,1,0,0,0,0|2,0,0]=3 5606 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [0,1,0,0,0,0|2,0,0]=3 5607 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [0,1,0,0,0,0|1,0,0]=2 5608 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [0,1,0,0,0,0|1,0,0]=2 5609 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [0,1,0,0,0,0|2,0,0]=3 5610 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [0,1,0,0,0,0|2,0,0]=3 5611 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [0,1,0,0,0,0|2,0,0]=3 5612 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [0,1,0,0,0,0|2,0,0]=3 5613 B10R0.71 CCOCCCOCCON 34a_100000700252_100012232248 [0,1,0,0,0,0|2,0,0]=3 5614 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [0,1,0,0,0,0|2,1,0]=4 5615 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [0,1,0,0,0,0|2,1,0]=4 5616 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [0,1,0,0,0,0|2,1,0]=4 5617 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [0,1,0,0,0,0|2,1,0]=4 5618 B10R0.71 CCOCCCSCCC#N 62a_100011215226_100012232248 [0,1,0,0,0,0|2,0,1]=4 5619 B10R0.71 CCOCCCSCCC#N 62a_100012232248_100011215226 [0,1,0,0,0,0|2,0,1]=4 5620 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [0,1,0,0,0,0|2,0,0]=3 5621 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [0,1,0,0,0,0|2,0,0]=3 5622 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [0,1,0,0,0,0|1,0,0]=2 5623 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [0,1,0,0,0,0|1,0,0]=2 5624 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [0,1,0,0,0,0|2,0,0]=3 5625 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [0,1,0,0,0,0|2,0,0]=3 5626 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [0,1,0,0,0,0|2,1,0]=4 5627 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [0,1,0,0,0,0|2,1,0]=4 5628 B10R0.71 CCOCCCSCOCC 62a_100000739092_100012232248 [0,1,0,0,0,0|3,0,0]=4 5629 B10R0.71 CCOCCCSCOCC 62a_100012232248_100000739092 [0,1,0,0,0,0|3,0,0]=4 5630 B10R0.71 CCOCCNCC#CCO 2230a_102516460346_200000047223 [0,1,0,0,0,0|1,0,2]=4 5631 B10R0.71 CCOCCNCC#CCO 34a_102516460346_200000047223 [0,1,0,0,0,0|1,0,2]=4 5632 B10R0.71 CCOCCNCCCC#N 2230a_102516460346_100000687738 [0,1,0,0,0,0|2,0,1]=4 5633 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [0,1,0,0,0,0|1,0,2]=4 5634 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [0,1,0,0,0,0|2,0,0]=3 5635 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [0,1,0,0,0,0|2,0,0]=3 5636 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [0,1,0,0,0,0|1,0,0]=2 5637 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [0,1,0,0,0,0|1,0,0]=2 5638 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [0,1,0,0,0,0|1,0,0]=2 5639 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [0,1,0,0,0,0|1,0,0]=2 5640 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [0,1,0,0,0,0|2,0,0]=3 5641 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [0,1,0,0,0,0|2,0,0]=3 5642 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [0,1,0,0,0,0|2,0,0]=3 5643 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [0,1,0,0,0,0|2,1,0]=4 5644 B10R0.71 CCOCCNCCOCC 2230a_102516460346_100011215890 [0,1,0,0,0,0|3,0,0]=4 5645 B10R0.71 CCOCCNCCOCC 34a_102516460346_100000210147 [0,1,0,0,0,0|3,0,0]=4 5646 B10R0.71 CCOCCNCCSCC 2230a_100000106463_100011215890 [0,1,0,0,0,0|3,0,0]=4 5647 B10R0.71 CCOCCNCCSCC 2230a_102516460346_100000757381 [0,1,0,0,0,0|3,0,0]=4 5648 B10R0.71 CCOCCNCCSCC 34a_102516460346_100000757381 [0,1,0,0,0,0|3,0,0]=4 5649 B10R0.71 CCOCCOCC#CCO 34a_100000210136_200000047223 [0,1,0,0,0,0|1,0,2]=4 5650 B10R0.71 CCOCCOCC#CCO 7a_100000210136_200000047223 [0,1,0,0,0,0|1,0,2]=4 5651 B10R0.71 CCOCCOCCCC#N 7a_100000210136_100000687738 [0,1,0,0,0,0|2,0,1]=4 5652 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [0,1,0,0,0,0|1,0,2]=4 5653 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [0,1,0,0,0,0|2,0,0]=3 5654 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [0,1,0,0,0,0|2,0,0]=3 5655 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [0,1,0,0,0,0|2,0,0]=3 5656 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [0,1,0,0,0,0|2,0,0]=3 5657 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [0,1,0,0,0,0|2,0,0]=3 5658 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [0,1,0,0,0,0|2,0,0]=3 5659 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [0,1,0,0,0,0|2,0,0]=3 5660 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [0,1,0,0,0,0|2,0,0]=3 5661 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [0,1,0,0,0,0|2,0,0]=3 5662 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [0,1,0,0,0,0|1,0,0]=2 5663 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [0,1,0,0,0,0|1,0,0]=2 5664 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [0,1,0,0,0,0|3,0,0]=4 5665 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [0,1,0,0,0,0|2,0,0]=3 5666 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [0,1,0,0,0,0|2,0,0]=3 5667 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [0,1,0,0,0,0|2,0,0]=3 5668 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [0,1,0,0,0,0|2,1,0]=4 5669 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [0,1,0,0,0,0|2,1,0]=4 5670 B10R0.71 CCOCCOCCNCF 34a_100102712874_100015361967 [0,1,0,0,0,0|3,0,0]=4 5671 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [0,1,0,0,0,0|3,0,0]=4 5672 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [0,1,0,0,0,0|3,0,0]=4 5673 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [0,1,0,0,0,0|3,0,0]=4 5674 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [0,1,0,0,0,0|3,0,0]=4 5675 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [0,1,0,0,0,0|3,0,0]=4 5676 B10R0.71 CCOCCOCCOCF 34a_100000210240_100015361967 [0,1,0,0,0,0|3,0,0]=4 5677 B10R0.71 CCOCCOCCOCF 7a_100000210240_100015361967 [0,1,0,0,0,0|3,0,0]=4 5678 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [0,1,0,0,0,0|3,0,0]=4 5679 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [0,1,0,0,0,0|3,0,0]=4 5680 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [0,1,0,0,0,0|3,0,0]=4 5681 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [0,1,0,0,0,0|3,0,0]=4 5682 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [0,1,0,0,0,0|3,0,0]=4 5683 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [0,1,0,0,0,0|3,0,0]=4 5684 B10R0.71 CCOCCOCCSCF 62a_100011211534_100015361967 [0,1,0,0,0,0|3,0,0]=4 5685 B10R0.71 CCOCCOCCSCF 62a_100015361967_100011211534 [0,1,0,0,0,0|3,0,0]=4 5686 B10R0.71 CCOCCSCC#CCO 62a_100000210147_200000047223 [0,1,0,0,0,0|1,0,2]=4 5687 B10R0.71 CCOCCSCC#CCO 62a_200000047223_100011215890 [0,1,0,0,0,0|1,0,2]=4 5688 B10R0.71 CCOCCSCCCC#N 62a_100000210147_100000687738 [0,1,0,0,0,0|2,0,1]=4 5689 B10R0.71 CCOCCSCCCC#N 62a_100000687738_100011215890 [0,1,0,0,0,0|2,0,1]=4 5690 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [0,1,0,0,0,0|1,0,2]=4 5691 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [0,1,0,0,0,0|1,0,2]=4 5692 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [0,1,0,0,0,0|2,0,0]=3 5693 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [0,1,0,0,0,0|2,0,0]=3 5694 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [0,1,0,0,0,0|1,0,0]=2 5695 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [0,1,0,0,0,0|1,0,0]=2 5696 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [0,1,0,0,0,0|2,0,0]=3 5697 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [0,1,0,0,0,0|2,0,0]=3 5698 B10R0.71 CCOCCSCCOCC 62a_100000210147_100011215890 [0,1,0,0,0,0|3,0,0]=4 5699 B10R0.71 CCOCCSCCSCC 62a_100000210147_100000757381 [0,1,0,0,0,0|3,0,0]=4 5700 B10R0.71 CCOCCSCCSCC 62a_100000757381_100011215890 [0,1,0,0,0,0|3,0,0]=4 5701 B10R0.71 CCOCSCCCCC#N 62a_100000739092_100000211819 [0,1,0,0,0,0|2,0,1]=4 5702 B10R0.71 CCOCSCCCCC#N 62a_100011219923_100000739092 [0,1,0,0,0,0|2,0,1]=4 5703 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [0,1,0,0,0,0|1,0,2]=4 5704 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [0,1,0,0,0,0|1,0,2]=4 5705 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [0,1,0,0,0,0|2,0,0]=3 5706 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [0,1,0,0,0,0|2,0,0]=3 5707 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [0,1,0,0,0,0|1,0,0]=2 5708 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [0,1,0,0,0,0|1,0,0]=2 5709 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [0,1,0,0,0,0|2,0,0]=3 5710 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [0,1,0,0,0,0|2,0,0]=3 5711 B10R0.71 CCOCSCCOCCO 62a_100000739092_100011215305 [0,1,0,0,0,0|2,0,0]=3 5712 B10R0.71 CCOCSCCOCCO 62a_100011215305_100000739092 [0,1,0,0,0,0|2,0,0]=3 5713 B10R0.71 CCOCSCOCCOC 62a_100000231047_100000739092 [0,1,0,0,0,0|3,0,0]=4 5714 B10R0.71 CCOCSCOCCOC 62a_100000739092_100000231047 [0,1,0,0,0,0|3,0,0]=4 5715 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [0,1,0,0,0,0|1,0,1]=3 5716 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [0,1,0,0,0,0|1,0,1]=3 5717 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [0,1,0,0,0,0|0,0,0]=1 5718 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [0,1,0,0,0,0|0,0,0]=1 5719 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [0,1,0,0,0,0|1,0,0]=2 5720 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [0,1,0,0,0,0|1,0,0]=2 5721 B10R0.71 CCSCCCOCCC#N 7a_100011216438_100000184422 [0,1,0,0,0,0|2,0,1]=4 5722 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [0,1,0,0,0,0|2,0,0]=3 5723 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [0,1,0,0,0,0|2,0,0]=3 5724 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [0,1,0,0,0,0|1,0,0]=2 5725 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [0,1,0,0,0,0|1,0,0]=2 5726 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [0,1,0,0,0,0|2,0,0]=3 5727 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [0,1,0,0,0,0|2,0,0]=3 5728 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [0,1,0,0,0,0|2,0,0]=3 5729 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [0,1,0,0,0,0|2,0,0]=3 5730 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [0,1,0,0,0,0|2,1,0]=4 5731 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [0,1,0,0,0,0|2,1,0]=4 5732 B10R0.71 CCSCCNCC#CCO 2230a_100000106463_200000047223 [0,1,0,0,0,0|1,0,2]=4 5733 B10R0.71 CCSCCNCCCC#N 2230a_100000106463_100000687738 [0,1,0,0,0,0|2,0,1]=4 5734 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [0,1,0,0,0,0|1,0,2]=4 5735 B10R0.71 CCSCCNCCCCF 2230a_100000106463_100000729493 [0,1,0,0,0,0|2,0,0]=3 5736 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [0,1,0,0,0,0|1,0,0]=2 5737 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [0,1,0,0,0,0|1,0,0]=2 5738 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [0,1,0,0,0,0|1,0,0]=2 5739 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [0,1,0,0,0,0|2,0,0]=3 5740 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [0,1,0,0,0,0|2,0,0]=3 5741 B10R0.71 CCSCCNCCCSC 2230a_100000749238_100000757381 [0,1,0,0,0,0|2,1,0]=4 5742 B10R0.71 CCSCCNCCSCC 2230a_100000106463_100000757381 [0,1,0,0,0,0|3,0,0]=4 5743 B10R0.71 CCSCCOCC#CCO 34a_100000212035_200000047223 [0,1,0,0,0,0|1,0,2]=4 5744 B10R0.71 CCSCCOCC#CCO 7a_100000212035_200000047223 [0,1,0,0,0,0|1,0,2]=4 5745 B10R0.71 CCSCCOCCCC#N 7a_100000212035_100000687738 [0,1,0,0,0,0|2,0,1]=4 5746 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [0,1,0,0,0,0|1,0,2]=4 5747 B10R0.71 CCSCCOCCCCBr 34a_100011216708_100000757381 [0,1,0,0,0,0|2,0,0]=3 5748 B10R0.71 CCSCCOCCCCCl 34a_100000210776_100000757381 [0,1,0,0,0,0|2,0,0]=3 5749 B10R0.71 CCSCCOCCCCCl 7a_100000210776_100000757381 [0,1,0,0,0,0|2,0,0]=3 5750 B10R0.71 CCSCCOCCCCF 34a_100000212035_100000729493 [0,1,0,0,0,0|2,0,0]=3 5751 B10R0.71 CCSCCOCCCCF 34a_100011995726_100000757381 [0,1,0,0,0,0|2,0,0]=3 5752 B10R0.71 CCSCCOCCCCF 7a_100000212035_100000729493 [0,1,0,0,0,0|2,0,0]=3 5753 B10R0.71 CCSCCOCCCCF 7a_100011995726_100000757381 [0,1,0,0,0,0|2,0,0]=3 5754 B10R0.71 CCSCCOCCCCI 34a_200012148704_100000757381 [0,1,0,0,0,0|2,0,0]=3 5755 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [0,1,0,0,0,0|2,0,0]=3 5756 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [0,1,0,0,0,0|1,0,0]=2 5757 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [0,1,0,0,0,0|1,0,0]=2 5758 B10R0.71 CCSCCOCCCNC 34a_100000213112_100000757381 [0,1,0,0,0,0|3,0,0]=4 5759 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [0,1,0,0,0,0|2,0,0]=3 5760 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [0,1,0,0,0,0|2,0,0]=3 5761 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [0,1,0,0,0,0|2,0,0]=3 5762 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [0,1,0,0,0,0|2,1,0]=4 5763 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [0,1,0,0,0,0|2,1,0]=4 5764 B10R0.71 CCSCCOCCSCC 34a_100000212035_100000757381 [0,1,0,0,0,0|3,0,0]=4 5765 B10R0.71 CCSCCOCCSCC 7a_100000212035_100000757381 [0,1,0,0,0,0|3,0,0]=4 5766 B10R0.71 CCSCCSCC#CCO 62a_100000757381_200000047223 [0,1,0,0,0,0|1,0,2]=4 5767 B10R0.71 CCSCCSCC#CCO 62a_200000047223_100000757381 [0,1,0,0,0,0|1,0,2]=4 5768 B10R0.71 CCSCCSCCCC#N 62a_100000687738_100000757381 [0,1,0,0,0,0|2,0,1]=4 5769 B10R0.71 CCSCCSCCCC#N 62a_100000757381_100000687738 [0,1,0,0,0,0|2,0,1]=4 5770 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [0,1,0,0,0,0|1,0,2]=4 5771 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [0,1,0,0,0,0|1,0,2]=4 5772 B10R0.71 CCSCCSCCCCF 62a_100000729493_100000757381 [0,1,0,0,0,0|2,0,0]=3 5773 B10R0.71 CCSCCSCCCCF 62a_100000757381_100000729493 [0,1,0,0,0,0|2,0,0]=3 5774 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [0,1,0,0,0,0|1,0,0]=2 5775 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [0,1,0,0,0,0|1,0,0]=2 5776 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [0,1,0,0,0,0|2,0,0]=3 5777 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [0,1,0,0,0,0|2,0,0]=3 5778 B10R0.71 CCSCCSCCSCC 62a_100000757381_100000757381 [0,1,0,0,0,0|3,0,0]=4 5779 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [0,1,0,0,0,0|0,0,0]=1 5780 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [0,1,0,0,0,0|0,0,0]=1 5781 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [0,1,0,0,0,0|0,0,0]=1 5782 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [0,1,0,0,0,0|0,0,0]=1 5783 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [0,1,0,0,0,0|0,0,0]=1 5784 B10R0.71 CNCCCCCCN=[N+]=[N-] 2230a_200000049180_200000210301 [0,1,0,0,0,0|3,0,0]=4 5785 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [0,1,0,0,0,0|1,0,2]=4 5786 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [0,1,0,0,0,0|2,0,0]=3 5787 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [0,1,0,0,0,0|1,0,0]=2 5788 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [0,1,0,0,0,0|2,1,0]=4 5789 B10R0.71 CNCCCOCC#CCO 34a_100000213112_200000047223 [0,1,0,0,0,0|1,0,2]=4 5790 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [0,1,0,0,0,0|2,0,0]=3 5791 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [0,1,0,0,0,0|1,0,0]=2 5792 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [0,1,0,0,0,0|2,0,0]=3 5793 B10R0.71 CNCCOCCOCCF 34a_100000228057_100011217306 [0,1,0,0,0,0|3,0,0]=4 5794 B10R0.71 CNCCOCCOCCO 2230a_100011998139_200000210301 [0,1,0,0,0,0|2,0,0]=3 5795 B10R0.71 CNCCOCCOCCO 2230a_106832991635_100000032323 [0,1,0,0,0,0|2,0,0]=3 5796 B10R0.71 CNCCOCCOCCO 34a_100000228057_100000211926 [0,1,0,0,0,0|2,0,0]=3 5797 B10R0.71 CNCCOCCOCCO 34a_100011998139_200000210301 [0,1,0,0,0,0|2,0,0]=3 5798 B10R0.71 CNCCOCCOCCO 34a_100102657272_100000032323 [0,1,0,0,0,0|2,0,0]=3 5799 B10R0.71 CNCCOCCOCCO 7a_106832991635_100000032323 [0,1,0,0,0,0|2,0,0]=3 5800 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [0,1,0,0,0,0|1,0,0]=2 5801 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [0,1,0,0,0,0|1,0,0]=2 5802 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [0,1,0,0,0,0|1,0,0]=2 5803 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [0,1,0,0,0,0|1,0,0]=2 5804 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [0,1,0,0,0,0|1,0,0]=2 5805 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [0,1,0,0,0,0|0,0,0]=1 5806 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [0,1,0,0,0,0|2,0,0]=3 5807 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [0,1,0,0,0,0|2,0,0]=3 5808 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [0,1,0,0,0,0|2,0,0]=3 5809 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [0,1,0,0,0,0|2,0,0]=3 5810 B10R0.71 COCCCCCNCC#N 2230a_100000747528_100011215382 [0,1,0,0,0,0|2,0,1]=4 5811 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [0,1,0,0,0,0|1,0,2]=4 5812 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [0,1,0,0,0,0|1,0,2]=4 5813 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [0,1,0,0,0,0|2,0,0]=3 5814 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [0,1,0,0,0,0|2,0,0]=3 5815 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [0,1,0,0,0,0|2,0,0]=3 5816 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [0,1,0,0,0,0|1,0,0]=2 5817 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [0,1,0,0,0,0|1,0,0]=2 5818 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [0,1,0,0,0,0|2,0,0]=3 5819 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [0,1,0,0,0,0|2,0,0]=3 5820 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [0,1,0,0,0,0|2,0,0]=3 5821 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [0,1,0,0,0,0|2,0,0]=3 5822 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [0,1,0,0,0,0|2,0,0]=3 5823 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [0,1,0,0,0,0|2,0,0]=3 5824 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [0,1,0,0,0,0|2,0,0]=3 5825 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [0,1,0,0,0,0|2,0,0]=3 5826 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [0,1,0,0,0,0|2,0,0]=3 5827 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [0,1,0,0,0,0|2,0,0]=3 5828 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [0,1,0,0,0,0|2,0,0]=3 5829 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [0,1,0,0,0,0|2,0,0]=3 5830 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [0,1,0,0,0,0|1,0,0]=2 5831 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [0,1,0,0,0,0|2,0,0]=3 5832 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [0,1,0,0,0,0|2,0,0]=3 5833 B10R0.71 COCCCCOCCON 34a_100000700252_100000755781 [0,1,0,0,0,0|2,0,0]=3 5834 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [0,1,0,0,0,0|2,0,0]=3 5835 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [0,1,0,0,0,0|2,0,0]=3 5836 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [0,1,0,0,0,0|2,0,0]=3 5837 B10R0.71 COCCCCSCCC#N 62a_100000730899_100011215226 [0,1,0,0,0,0|2,0,1]=4 5838 B10R0.71 COCCCCSCCC#N 62a_100011215226_100000730899 [0,1,0,0,0,0|2,0,1]=4 5839 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [0,1,0,0,0,0|2,0,0]=3 5840 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [0,1,0,0,0,0|2,0,0]=3 5841 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [0,1,0,0,0,0|1,0,0]=2 5842 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [0,1,0,0,0,0|1,0,0]=2 5843 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [0,1,0,0,0,0|2,0,0]=3 5844 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [0,1,0,0,0,0|2,0,0]=3 5845 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [0,1,0,0,0,0|2,0,0]=3 5846 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [0,1,0,0,0,0|2,0,0]=3 5847 B10R0.71 COCCCNCC#CCO 34a_100150723488_200000047223 [0,1,0,0,0,0|1,0,2]=4 5848 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [0,1,0,0,0,0|2,0,0]=3 5849 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [0,1,0,0,0,0|1,0,0]=2 5850 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [0,1,0,0,0,0|1,0,0]=2 5851 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [0,1,0,0,0,0|1,0,0]=2 5852 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [0,1,0,0,0,0|2,0,0]=3 5853 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [0,1,0,0,0,0|2,0,0]=3 5854 B10R0.71 COCCCOCC#CCO 34a_100000740835_200000047223 [0,1,0,0,0,0|1,0,2]=4 5855 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [0,1,0,0,0,0|2,0,0]=3 5856 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [0,1,0,0,0,0|2,0,0]=3 5857 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [0,1,0,0,0,0|2,0,0]=3 5858 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [0,1,0,0,0,0|2,0,0]=3 5859 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [0,1,0,0,0,0|2,0,0]=3 5860 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [0,1,0,0,0,0|2,0,0]=3 5861 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [0,1,0,0,0,0|2,0,0]=3 5862 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [0,1,0,0,0,0|2,0,0]=3 5863 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [0,1,0,0,0,0|1,0,0]=2 5864 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [0,1,0,0,0,0|2,0,0]=3 5865 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [0,1,0,0,0,0|2,0,0]=3 5866 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [0,1,0,0,0,0|2,0,0]=3 5867 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [0,1,0,0,0,0|2,0,0]=3 5868 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [0,1,0,0,0,0|2,0,0]=3 5869 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [0,1,0,0,0,0|2,0,0]=3 5870 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [0,1,0,0,0,0|2,0,0]=3 5871 B10R0.71 COCCCSCC#CCO 62a_100000709357_200000047223 [0,1,0,0,0,0|1,0,2]=4 5872 B10R0.71 COCCCSCC#CCO 62a_200000047223_100000709357 [0,1,0,0,0,0|1,0,2]=4 5873 B10R0.71 COCCCSCCCC#N 62a_100000687738_100000709357 [0,1,0,0,0,0|2,0,1]=4 5874 B10R0.71 COCCCSCCCC#N 62a_100000709357_100000687738 [0,1,0,0,0,0|2,0,1]=4 5875 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [0,1,0,0,0,0|1,0,2]=4 5876 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [0,1,0,0,0,0|1,0,2]=4 5877 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [0,1,0,0,0,0|2,0,0]=3 5878 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [0,1,0,0,0,0|2,0,0]=3 5879 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [0,1,0,0,0,0|1,0,0]=2 5880 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [0,1,0,0,0,0|1,0,0]=2 5881 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [0,1,0,0,0,0|2,0,0]=3 5882 B10R0.71 COCCNCCCCC#N 2230a_100000209980_100000211819 [0,1,0,0,0,0|2,0,1]=4 5883 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [0,1,0,0,0,0|1,0,2]=4 5884 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [0,1,0,0,0,0|2,0,0]=3 5885 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [0,1,0,0,0,0|1,0,0]=2 5886 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [0,1,0,0,0,0|1,0,0]=2 5887 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [0,1,0,0,0,0|1,0,0]=2 5888 B10R0.71 COCCNCCOCCO 2230a_100000209980_100011215305 [0,1,0,0,0,0|2,0,0]=3 5889 B10R0.71 COCCNCCOCCO 2230a_100000211614_100011201679 [0,1,0,0,0,0|2,0,0]=3 5890 B10R0.71 COCCNCCOCCO 34a_100000211614_100011201679 [0,1,0,0,0,0|2,0,0]=3 5891 B10R0.71 COCCNCCSCCO 2230a_100011219999_100011201679 [0,1,0,0,0,0|2,0,0]=3 5892 B10R0.71 COCCNCOCCOC 2230a_100000209980_100000231047 [0,1,0,0,0,0|3,0,0]=4 5893 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [0,1,0,0,0,0|2,0,0]=3 5894 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [0,1,0,0,0,0|2,0,0]=3 5895 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [0,1,0,0,0,0|2,0,0]=3 5896 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [0,1,0,0,0,0|2,0,0]=3 5897 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [0,1,0,0,0,0|2,0,0]=3 5898 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [0,1,0,0,0,0|2,0,0]=3 5899 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [0,1,0,0,0,0|2,0,0]=3 5900 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [0,1,0,0,0,0|2,0,0]=3 5901 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [0,1,0,0,0,0|1,0,0]=2 5902 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [0,1,0,0,0,0|2,0,0]=3 5903 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [0,1,0,0,0,0|2,0,0]=3 5904 B10R0.71 COCCOCCCNCF 34a_100000206027_100015361967 [0,1,0,0,0,0|3,0,0]=4 5905 B10R0.71 COCCOCCCSCF 62a_100011216529_100015361967 [0,1,0,0,0,0|3,0,0]=4 5906 B10R0.71 COCCOCCCSCF 62a_100015361967_100011216529 [0,1,0,0,0,0|3,0,0]=4 5907 B10R0.71 COCCOCCNCCF 2230a_100000745349_100011217306 [0,1,0,0,0,0|3,0,0]=4 5908 B10R0.71 COCCOCCNCCF 34a_100000724931_100000695917 [0,1,0,0,0,0|3,0,0]=4 5909 B10R0.71 COCCOCCNCCF 34a_100000745349_100011217306 [0,1,0,0,0,0|3,0,0]=4 5910 B10R0.71 COCCOCCNCCO 2230a_100000745349_100000211926 [0,1,0,0,0,0|2,0,0]=3 5911 B10R0.71 COCCOCCNCCO 2230a_100016997473_100000695917 [0,1,0,0,0,0|2,0,0]=3 5912 B10R0.71 COCCOCCNCCO 34a_100000745349_100000211926 [0,1,0,0,0,0|2,0,0]=3 5913 B10R0.71 COCCOCCNCCO 34a_100016990907_100000695917 [0,1,0,0,0,0|2,0,0]=3 5914 B10R0.71 COCCOCCNCOC 2230a_100000745349_100000766300 [0,1,0,0,0,0|3,0,0]=4 5915 B10R0.71 COCCOCCNCSC 2230a_100000745349_100011218213 [0,1,0,0,0,0|3,0,0]=4 5916 B10R0.71 COCCOCCNCSC 34a_100000745349_100011218213 [0,1,0,0,0,0|3,0,0]=4 5917 B10R0.71 COCCOCCOCCBr 34a_100000211926_100000695917 [0,1,0,0,0,0|3,0,0]=4 5918 B10R0.71 COCCOCCOCCBr 34a_100000692535_100011201679 [0,1,0,0,0,0|3,0,0]=4 5919 B10R0.71 COCCOCCOCCBr 34a_100010132937_200000210301 [0,1,0,0,0,0|3,0,0]=4 5920 B10R0.71 COCCOCCOCCBr 7a_100000692535_100000233755 [0,1,0,0,0,0|3,0,0]=4 5921 B10R0.71 COCCOCCOCCBr 7a_100010132937_200000210301 [0,1,0,0,0,0|3,0,0]=4 5922 B10R0.71 COCCOCCOCCCl 34a_100000032323_200000210301 [0,1,0,0,0,0|3,0,0]=4 5923 B10R0.71 COCCOCCOCCCl 34a_100011215305_100011201679 [0,1,0,0,0,0|3,0,0]=4 5924 B10R0.71 COCCOCCOCCCl 7a_100000032323_200000210301 [0,1,0,0,0,0|3,0,0]=4 5925 B10R0.71 COCCOCCOCCCl 7a_100011215305_100000233755 [0,1,0,0,0,0|3,0,0]=4 5926 B10R0.71 COCCOCCOCCF 34a_100011215163_100011217306 [0,1,0,0,0,0|3,0,0]=4 5927 B10R0.71 COCCOCCOCCF 34a_200015357709_100011201679 [0,1,0,0,0,0|3,0,0]=4 5928 B10R0.71 COCCOCCOCCF 7a_100011215163_100011217306 [0,1,0,0,0,0|3,0,0]=4 5929 B10R0.71 COCCOCCOCCF 7a_200015357709_100000233755 [0,1,0,0,0,0|3,0,0]=4 5930 B10R0.71 COCCOCCOCCI 34a_100012149058_100011201679 [0,1,0,0,0,0|3,0,0]=4 5931 B10R0.71 COCCOCCOCCI 7a_100012149058_100000233755 [0,1,0,0,0,0|3,0,0]=4 5932 B10R0.71 COCCOCCOCCN 34a_100000210304_100000695917 [0,1,0,0,0,0|3,0,0]=4 5933 B10R0.71 COCCOCCOCCN 34a_100000211614_100011201679 [0,1,0,0,0,0|3,0,0]=4 5934 B10R0.71 COCCOCCOCCN 34a_100011998139_200000210301 [0,1,0,0,0,0|3,0,0]=4 5935 B10R0.71 COCCOCCOCCO 34a_100000210237_100000692535 [0,1,0,0,0,0|2,0,0]=3 5936 B10R0.71 COCCOCCOCCO 34a_100011215163_100000211926 [0,1,0,0,0,0|2,0,0]=3 5937 B10R0.71 COCCOCCOCCO 34a_100138415774_100000032323 [0,1,0,0,0,0|2,0,0]=3 5938 B10R0.71 COCCOCCOCCO 7a_100011215163_100000211926 [0,1,0,0,0,0|2,0,0]=3 5939 B10R0.71 COCCOCCOCSC 34a_100011215163_100011218213 [0,1,0,0,0,0|3,0,0]=4 5940 B10R0.71 COCCOCCSCCF 62a_100000695917_100011217306 [0,1,0,0,0,0|3,0,0]=4 5941 B10R0.71 COCCOCCSCCF 62a_100011217306_100000695917 [0,1,0,0,0,0|3,0,0]=4 5942 B10R0.71 COCCOCCSCCO 62a_100000211926_100000695917 [0,1,0,0,0,0|2,0,0]=3 5943 B10R0.71 COCCOCCSCCO 62a_100000695917_100000211926 [0,1,0,0,0,0|2,0,0]=3 5944 B10R0.71 COCCOCCSCOC 62a_100000695917_100000766300 [0,1,0,0,0,0|3,0,0]=4 5945 B10R0.71 COCCOCCSCOC 62a_100000766300_100000695917 [0,1,0,0,0,0|3,0,0]=4 5946 B10R0.71 COCCOCCSCSC 62a_100000695917_100011218213 [0,1,0,0,0,0|3,0,0]=4 5947 B10R0.71 COCCOCCSCSC 62a_100011218213_100000695917 [0,1,0,0,0,0|3,0,0]=4 5948 B10R0.71 COCCOCNCCCF 2230a_100015189416_100000231047 [0,1,0,0,0,0|3,0,0]=4 5949 B10R0.71 COCCOCNCCSC 2230a_100020590264_100000231047 [0,1,0,0,0,0|3,0,0]=4 5950 B10R0.71 COCCOCSCCCF 62a_100000231047_100011934791 [0,1,0,0,0,0|3,0,0]=4 5951 B10R0.71 COCCOCSCCCF 62a_100011934791_100000231047 [0,1,0,0,0,0|3,0,0]=4 5952 B10R0.71 COCCOCSCCCO 62a_100000231047_100011215043 [0,1,0,0,0,0|2,0,0]=3 5953 B10R0.71 COCCOCSCCCO 62a_100011215043_100000231047 [0,1,0,0,0,0|2,0,0]=3 5954 B10R0.71 COCCOCSCCOC 62a_100000231047_100000233755 [0,1,0,0,0,0|3,0,0]=4 5955 B10R0.71 COCCOCSCCOC 62a_100000233755_100000231047 [0,1,0,0,0,0|3,0,0]=4 5956 B10R0.71 COCCOCSCCSC 62a_100000212216_100000231047 [0,1,0,0,0,0|3,0,0]=4 5957 B10R0.71 COCCOCSCCSC 62a_100000231047_100000751147 [0,1,0,0,0,0|3,0,0]=4 5958 B10R0.71 COCCSCCCCC#N 62a_100000233755_100000211819 [0,1,0,0,0,0|2,0,1]=4 5959 B10R0.71 COCCSCCCCC#N 62a_100011219923_100000233755 [0,1,0,0,0,0|2,0,1]=4 5960 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [0,1,0,0,0,0|1,0,2]=4 5961 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [0,1,0,0,0,0|1,0,2]=4 5962 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [0,1,0,0,0,0|2,0,0]=3 5963 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [0,1,0,0,0,0|2,0,0]=3 5964 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [0,1,0,0,0,0|1,0,0]=2 5965 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [0,1,0,0,0,0|1,0,0]=2 5966 B10R0.71 COCCSCCOCCO 62a_100000233755_100011215305 [0,1,0,0,0,0|2,0,0]=3 5967 B10R0.71 COCCSCCOCCO 62a_100011215305_100000233755 [0,1,0,0,0,0|2,0,0]=3 5968 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [0,1,0,0,0,0|1,0,0]=2 5969 B10R0.71 COCSCCCCCC#N 62a_100000766300_100009813376 [0,1,0,0,0,0|2,0,1]=4 5970 B10R0.71 COCSCCCCCC#N 62a_100009813376_100000766300 [0,1,0,0,0,0|2,0,1]=4 5971 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [0,1,0,0,0,0|1,0,2]=4 5972 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [0,1,0,0,0,0|1,0,2]=4 5973 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [0,1,0,0,0,0|2,0,0]=3 5974 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [0,1,0,0,0,0|2,0,0]=3 5975 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [0,1,0,0,0,0|1,0,0]=2 5976 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [0,1,0,0,0,0|1,0,0]=2 5977 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [0,1,0,0,0,0|0,0,0]=1 5978 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [0,1,0,0,0,0|0,0,0]=1 5979 B10R0.71 CSCCCCOCCC#N 7a_100011217163_100000184422 [0,1,0,0,0,0|2,0,1]=4 5980 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [0,1,0,0,0,0|2,0,0]=3 5981 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [0,1,0,0,0,0|2,0,0]=3 5982 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [0,1,0,0,0,0|1,0,0]=2 5983 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [0,1,0,0,0,0|1,0,0]=2 5984 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [0,1,0,0,0,0|2,1,0]=4 5985 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [0,1,0,0,0,0|2,1,0]=4 5986 B10R0.71 CSCCCNCC#CCO 2230a_100000749238_200000047223 [0,1,0,0,0,0|1,0,2]=4 5987 B10R0.71 CSCCCNCCCC#N 2230a_100000749238_100000687738 [0,1,0,0,0,0|2,0,1]=4 5988 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [0,1,0,0,0,0|1,0,2]=4 5989 B10R0.71 CSCCCNCCCCF 2230a_100000749238_100000729493 [0,1,0,0,0,0|2,0,0]=3 5990 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [0,1,0,0,0,0|1,0,0]=2 5991 B10R0.71 CSCCCOCC#CCO 34a_100000690336_200000047223 [0,1,0,0,0,0|1,0,2]=4 5992 B10R0.71 CSCCCOCC#CCO 7a_100000690336_200000047223 [0,1,0,0,0,0|1,0,2]=4 5993 B10R0.71 CSCCCOCCCC#N 7a_100000690336_100000687738 [0,1,0,0,0,0|2,0,1]=4 5994 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [0,1,0,0,0,0|1,0,2]=4 5995 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [0,1,0,0,0,0|2,0,0]=3 5996 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [0,1,0,0,0,0|2,0,0]=3 5997 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [0,1,0,0,0,0|1,0,0]=2 5998 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [0,1,0,0,0,0|1,0,0]=2 5999 B10R0.71 CSCCNCCCCC#N 2230a_100020590264_100000211819 [0,1,0,0,0,0|2,0,1]=4 6000 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [0,1,0,0,0,0|1,0,2]=4 6001 B10R0.71 CSCCNCCCCCF 2230a_100020590264_100000729378 [0,1,0,0,0,0|2,0,0]=3 6002 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [0,1,0,0,0,0|1,0,0]=2 6003 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [0,1,0,0,0,0|1,0,0]=2 6004 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [0,1,0,0,0,0|1,0,0]=2 6005 B10R0.71 CSCCNCCOCCO 2230a_100000211614_100000751147 [0,1,0,0,0,0|2,0,0]=3 6006 B10R0.71 CSCCNCCOCCO 2230a_100020590264_100011215305 [0,1,0,0,0,0|2,0,0]=3 6007 B10R0.71 CSCCNCCOCCO 34a_100000211614_100000212216 [0,1,0,0,0,0|2,0,0]=3 6008 B10R0.71 CSCCNCCSCCO 2230a_100011219999_100000751147 [0,1,0,0,0,0|2,0,0]=3 6009 B10R0.71 CSCCOCCCCC#N 7a_100000230434_100000211819 [0,1,0,0,0,0|2,0,1]=4 6010 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [0,1,0,0,0,0|1,0,2]=4 6011 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [0,1,0,0,0,0|2,0,0]=3 6012 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [0,1,0,0,0,0|2,0,0]=3 6013 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [0,1,0,0,0,0|2,0,0]=3 6014 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [0,1,0,0,0,0|2,0,0]=3 6015 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [0,1,0,0,0,0|2,0,0]=3 6016 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [0,1,0,0,0,0|2,0,0]=3 6017 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [0,1,0,0,0,0|2,0,0]=3 6018 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [0,1,0,0,0,0|2,0,0]=3 6019 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [0,1,0,0,0,0|2,0,0]=3 6020 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [0,1,0,0,0,0|1,0,0]=2 6021 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [0,1,0,0,0,0|1,0,0]=2 6022 B10R0.71 CSCCOCCOCCBr 34a_100000692535_100000212216 [0,1,0,0,0,0|3,0,0]=4 6023 B10R0.71 CSCCOCCOCCBr 7a_100000692535_100000212216 [0,1,0,0,0,0|3,0,0]=4 6024 B10R0.71 CSCCOCCOCCCl 34a_100011215305_100000212216 [0,1,0,0,0,0|3,0,0]=4 6025 B10R0.71 CSCCOCCOCCCl 7a_100011215305_100000212216 [0,1,0,0,0,0|3,0,0]=4 6026 B10R0.71 CSCCOCCOCCF 34a_200015357709_100000212216 [0,1,0,0,0,0|3,0,0]=4 6027 B10R0.71 CSCCOCCOCCF 7a_200015357709_100000212216 [0,1,0,0,0,0|3,0,0]=4 6028 B10R0.71 CSCCOCCOCCI 34a_100012149058_100000212216 [0,1,0,0,0,0|3,0,0]=4 6029 B10R0.71 CSCCOCCOCCI 7a_100012149058_100000212216 [0,1,0,0,0,0|3,0,0]=4 6030 B10R0.71 CSCCOCCOCCN 34a_100000211614_100000212216 [0,1,0,0,0,0|3,0,0]=4 6031 B10R0.71 CSCCOCCOCCO 34a_100000230434_100000692535 [0,1,0,0,0,0|2,0,0]=3 6032 B10R0.71 CSCCOCCOCCO 62a_100000032323_200000210301 [0,1,0,0,0,0|2,0,0]=3 6033 B10R0.71 CSCCOCCOCCO 62a_200000210301_100000032323 [0,1,0,0,0,0|2,0,0]=3 6034 B10R0.71 CSCCOCCOCCO 7a_100000230434_100011215305 [0,1,0,0,0,0|2,0,0]=3 6035 B10R0.71 CSCCSCCCCC#N 62a_100000212216_100000211819 [0,1,0,0,0,0|2,0,1]=4 6036 B10R0.71 CSCCSCCCCC#N 62a_100011219923_100000751147 [0,1,0,0,0,0|2,0,1]=4 6037 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [0,1,0,0,0,0|1,0,2]=4 6038 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [0,1,0,0,0,0|1,0,2]=4 6039 B10R0.71 CSCCSCCCCCF 62a_100000212216_100000729378 [0,1,0,0,0,0|2,0,0]=3 6040 B10R0.71 CSCCSCCCCCF 62a_100000729378_100000751147 [0,1,0,0,0,0|2,0,0]=3 6041 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [0,1,0,0,0,0|1,0,0]=2 6042 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [0,1,0,0,0,0|1,0,0]=2 6043 B10R0.71 CSCCSCCOCCO 62a_100000212216_100011215305 [0,1,0,0,0,0|2,0,0]=3 6044 B10R0.71 CSCCSCCOCCO 62a_100011215305_100000751147 [0,1,0,0,0,0|2,0,0]=3 6045 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [0,1,0,0,0,0|1,0,0]=2 6046 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [0,1,0,0,0,0|1,0,0]=2 6047 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [0,1,0,0,0,0|2,0,0]=3 6048 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [0,1,0,0,0,0|2,0,0]=3 6049 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [0,1,0,0,0,0|2,0,0]=3 6050 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [0,1,0,0,0,0|2,0,0]=3 6051 B10R0.71 CSCSCCCCCC#N 62a_100009813376_100011218213 [0,1,0,0,0,0|2,0,1]=4 6052 B10R0.71 CSCSCCCCCC#N 62a_100011218213_100009813376 [0,1,0,0,0,0|2,0,1]=4 6053 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [0,1,0,0,0,0|1,0,2]=4 6054 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [0,1,0,0,0,0|1,0,2]=4 6055 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [0,1,0,0,0,0|2,0,0]=3 6056 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [0,1,0,0,0,0|2,0,0]=3 6057 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [0,1,0,0,0,0|1,0,0]=2 6058 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [0,1,0,0,0,0|1,0,0]=2 6059 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [0,1,0,0,0,0|2,0,0]=3 6060 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [0,1,0,0,0,0|2,0,0]=3 6061 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [0,1,0,0,0,0|2,0,0]=3 6062 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [0,1,0,0,0,0|2,0,0]=3 6063 B10R0.71 FCCCCCCSCCF 62a_100011217306_100015922095 [0,1,0,0,0,0|2,0,0]=3 6064 B10R0.71 FCCCCCCSCCF 62a_100015922095_100011217306 [0,1,0,0,0,0|2,0,0]=3 6065 B10R0.71 FCCCCCNCCCF 2230a_100015189416_100000729378 [0,1,0,0,0,0|2,0,0]=3 6066 B10R0.71 FCCCCCNCCCF 34a_100015189416_100000729378 [0,1,0,0,0,0|2,0,0]=3 6067 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [0,1,0,0,0,0|2,0,0]=3 6068 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [0,1,0,0,0,0|2,0,0]=3 6069 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [0,1,0,0,0,0|2,0,0]=3 6070 B10R0.71 FCCCCCSCCCF 62a_100000729378_100011934791 [0,1,0,0,0,0|2,0,0]=3 6071 B10R0.71 FCCCCCSCCCF 62a_100011934791_100000729378 [0,1,0,0,0,0|2,0,0]=3 6072 B10R0.71 FCCCCOCCCCBr 34a_100011216708_100000729493 [0,1,0,0,0,0|2,0,0]=3 6073 B10R0.71 FCCCCOCCCCCl 34a_100000210776_100000729493 [0,1,0,0,0,0|2,0,0]=3 6074 B10R0.71 FCCCCOCCCCCl 7a_100000210776_100000729493 [0,1,0,0,0,0|2,0,0]=3 6075 B10R0.71 FCCCCOCCCCF 34a_100011995726_100000729493 [0,1,0,0,0,0|2,0,0]=3 6076 B10R0.71 FCCCCOCCCCF 7a_100011995726_100000729493 [0,1,0,0,0,0|2,0,0]=3 6077 B10R0.71 FCCCCOCCCCI 34a_200012148704_100000729493 [0,1,0,0,0,0|2,0,0]=3 6078 B10R0.71 FCCCCSCCCCF 62a_100000729493_100000729493 [0,1,0,0,0,0|2,0,0]=3 6079 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [0,1,0,0,0,0|2,0,0]=3 6080 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [0,1,0,0,0,0|2,0,0]=3 6081 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [0,1,0,0,0,0|2,0,0]=3 6082 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [0,1,0,0,0,0|2,0,0]=3 6083 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [0,1,0,0,0,0|2,0,0]=3 6084 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [0,1,0,0,0,0|2,0,0]=3 6085 B10R0.71 FCCCOCCOCCBr 34a_100000692535_100011934791 [0,1,0,0,0,0|3,0,0]=4 6086 B10R0.71 FCCCOCCOCCBr 7a_100000692535_100011934791 [0,1,0,0,0,0|3,0,0]=4 6087 B10R0.71 FCCCOCCOCCCl 34a_100011215305_100011934791 [0,1,0,0,0,0|3,0,0]=4 6088 B10R0.71 FCCCOCCOCCCl 7a_100011215305_100011934791 [0,1,0,0,0,0|3,0,0]=4 6089 B10R0.71 FCCCOCCOCCF 34a_200015357709_100011934791 [0,1,0,0,0,0|3,0,0]=4 6090 B10R0.71 FCCCOCCOCCF 7a_200015357709_100011934791 [0,1,0,0,0,0|3,0,0]=4 6091 B10R0.71 FCCCOCCOCCI 34a_100012149058_100011934791 [0,1,0,0,0,0|3,0,0]=4 6092 B10R0.71 FCCCOCCOCCI 7a_100012149058_100011934791 [0,1,0,0,0,0|3,0,0]=4 6093 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [0,1,0,0,0,0|2,0,0]=3 6094 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [0,1,0,0,0,0|2,0,0]=3 6095 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [0,1,0,0,0,0|2,0,0]=3 6096 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [0,1,0,0,0,0|2,0,0]=3 6097 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [0,1,0,0,0,0|2,0,0]=3 6098 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [0,1,0,0,0,0|2,0,0]=3 6099 B10R0.71 N#CCCCCCCSCF 62a_100009813337_100015361967 [0,1,0,0,0,0|2,0,1]=4 6100 B10R0.71 N#CCCCCCCSCF 62a_100015361967_100009813337 [0,1,0,0,0,0|2,0,1]=4 6101 B10R0.71 N#CCCCCCNCCO 2230a_100016997473_100009813376 [0,1,0,0,0,0|1,0,1]=3 6102 B10R0.71 N#CCCCCCSCCF 62a_100009813376_100011217306 [0,1,0,0,0,0|2,0,1]=4 6103 B10R0.71 N#CCCCCCSCCF 62a_100011217306_100009813376 [0,1,0,0,0,0|2,0,1]=4 6104 B10R0.71 N#CCCCCCSCCO 62a_100000211926_100009813376 [0,1,0,0,0,0|1,0,1]=3 6105 B10R0.71 N#CCCCCCSCCO 62a_100009813376_100000211926 [0,1,0,0,0,0|1,0,1]=3 6106 B10R0.71 N#CCCCCNCCCF 2230a_100015189416_100000211819 [0,1,0,0,0,0|2,0,1]=4 6107 B10R0.71 N#CCCCCSCCCF 62a_100011219923_100011934791 [0,1,0,0,0,0|2,0,1]=4 6108 B10R0.71 N#CCCCCSCCCF 62a_100011934791_100000211819 [0,1,0,0,0,0|2,0,1]=4 6109 B10R0.71 N#CCCCCSCCCO 62a_100011215043_100000211819 [0,1,0,0,0,0|1,0,1]=3 6110 B10R0.71 N#CCCCCSCCCO 62a_100011219923_100011215043 [0,1,0,0,0,0|1,0,1]=3 6111 B10R0.71 N#CCCCNCCCCO 2230a_100000750430_100000687738 [0,1,0,0,0,0|1,0,1]=3 6112 B10R0.71 N#CCCCOCCCCCl 7a_100000210776_100000687738 [0,1,0,0,0,0|2,0,1]=4 6113 B10R0.71 N#CCCCOCCCCF 7a_100011995726_100000687738 [0,1,0,0,0,0|2,0,1]=4 6114 B10R0.71 N#CCCCSCCCCF 62a_100000687738_100000729493 [0,1,0,0,0,0|2,0,1]=4 6115 B10R0.71 N#CCCCSCCCCF 62a_100000729493_100000687738 [0,1,0,0,0,0|2,0,1]=4 6116 B10R0.71 N#CCCCSCCCCO 62a_100000210776_100000687738 [0,1,0,0,0,0|1,0,1]=3 6117 B10R0.71 N#CCCCSCCCCO 62a_100000687738_100000210776 [0,1,0,0,0,0|1,0,1]=3 6118 B10R0.71 N#CCCNCCCCCO 2230a_100000762737_100011215226 [0,1,0,0,0,0|1,0,1]=3 6119 B10R0.71 N#CCCNCCOCCO 2230a_100000211614_100011215226 [0,1,0,0,0,0|2,0,1]=4 6120 B10R0.71 N#CCCNCCSCCO 2230a_100011219999_100011215226 [0,1,0,0,0,0|2,0,1]=4 6121 B10R0.71 N#CCCOCCCCCBr 7a_100000746331_100000184422 [0,1,0,0,0,0|2,0,1]=4 6122 B10R0.71 N#CCCOCCCCCCl 7a_100000746330_100000184422 [0,1,0,0,0,0|2,0,1]=4 6123 B10R0.71 N#CCCOCCCCCI 7a_200012148887_100000184422 [0,1,0,0,0,0|2,0,1]=4 6124 B10R0.71 N#CCCSCCCCCF 62a_100000729378_100011215226 [0,1,0,0,0,0|2,0,1]=4 6125 B10R0.71 N#CCCSCCCCCF 62a_100011215226_100000729378 [0,1,0,0,0,0|2,0,1]=4 6126 B10R0.71 N#CCCSCCCCCO 62a_100000746330_100011215226 [0,1,0,0,0,0|1,0,1]=3 6127 B10R0.71 N#CCCSCCCCCO 62a_100011215226_100000746330 [0,1,0,0,0,0|1,0,1]=3 6128 B10R0.71 N#CCCSCCOCCO 62a_100011215226_100011215305 [0,1,0,0,0,0|2,0,1]=4 6129 B10R0.71 N#CCCSCCOCCO 62a_100011215305_100011215226 [0,1,0,0,0,0|2,0,1]=4 6130 B10R0.71 N#CCNCCCCCCO 2230a_100000686447_100011215382 [0,1,0,0,0,0|1,0,1]=3 6131 B10R0.71 N#CCOCCCCCCBr 7a_100011215345_100011215382 [0,1,0,0,0,0|2,0,1]=4 6132 B10R0.71 N#CCOCCCCCCCl 7a_100000766143_100011215382 [0,1,0,0,0,0|2,0,1]=4 6133 B10R0.71 N#CCOCCCCCCF 7a_100000732779_100011215382 [0,1,0,0,0,0|2,0,1]=4 6134 B10R0.71 N#CCOCCSCCCO 62a_100011215043_200000047693 [0,1,0,0,0,0|2,0,1]=4 6135 B10R0.71 N#CCOCCSCCCO 62a_200000047693_100011215043 [0,1,0,0,0,0|2,0,1]=4 6136 B10R0.71 N#CCSCCCCCCF 62a_100011215382_100015922095 [0,1,0,0,0,0|2,0,1]=4 6137 B10R0.71 N#CCSCCCCCCF 62a_100015922095_100011215382 [0,1,0,0,0,0|2,0,1]=4 6138 B10R0.71 N#CCSCCCCCCO 62a_100000766143_100011215382 [0,1,0,0,0,0|1,0,1]=3 6139 B10R0.71 N#CCSCCCCCCO 62a_100011215382_100000766143 [0,1,0,0,0,0|1,0,1]=3 6140 B10R0.71 N#CSCCSCCCCO 62a_100000034367_100000210776 [0,1,0,0,0,0|2,0,1]=4 6141 B10R0.71 N#CSCCSCCCCO 62a_100000210776_100000034367 [0,1,0,0,0,0|2,0,1]=4 6142 B10R0.71 N#CSCSCCCCCO 62a_100000211825_100000746330 [0,1,0,0,0,0|2,0,1]=4 6143 B10R0.71 N#CSCSCCCCCO 62a_100000746330_100000211825 [0,1,0,0,0,0|2,0,1]=4 6144 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [0,1,0,0,0,0|2,0,0]=3 6145 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [0,1,0,0,0,0|1,0,2]=4 6146 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [0,1,0,0,0,0|2,0,0]=3 6147 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [0,1,0,0,0,0|1,0,0]=2 6148 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [0,1,0,0,0,0|2,0,0]=3 6149 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [0,1,0,0,0,0|1,0,0]=2 6150 B10R0.71 NCCCCOCC#CCO 34a_100000750430_200000047223 [0,1,0,0,0,0|1,0,2]=4 6151 B10R0.71 NCCCCOCCCCF 34a_100000750430_100000729493 [0,1,0,0,0,0|2,0,0]=3 6152 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [0,1,0,0,0,0|1,0,0]=2 6153 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [0,1,0,0,0,0|2,0,0]=3 6154 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [0,1,0,0,0,0|1,0,0]=2 6155 B10R0.71 NCCCOCCCOCF 34a_100011310245_100015361967 [0,1,0,0,0,0|3,0,0]=4 6156 B10R0.71 NCCCOCCOCCO 34a_100000182051_100000692535 [0,1,0,0,0,0|2,0,0]=3 6157 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [0,1,0,0,0,0|2,0,0]=3 6158 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [0,1,0,0,0,0|1,0,0]=2 6159 B10R0.71 NCCOCCOCCCF 34a_100000211614_100011934791 [0,1,0,0,0,0|3,0,0]=4 6160 B10R0.71 NCCOCCOCCCO 34a_100000211614_100000230001 [0,1,0,0,0,0|2,0,0]=3 6161 B10R0.71 NOCCOCCCCCF 34a_100000700252_100000729378 [0,1,0,0,0,0|2,0,0]=3 6162 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [0,1,0,0,0,0|2,0,0]=3 6163 B10R0.71 NOCCOCCOCCO 34a_100000700252_100000692535 [0,1,0,0,0,0|3,0,0]=4 6164 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [0,1,0,0,0,0|1,0,1]=3 6165 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [0,1,0,0,0,0|1,0,2]=4 6166 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [0,1,0,0,0,0|1,0,2]=4 6167 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [0,1,0,0,0,0|1,0,1]=3 6168 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [0,1,0,0,0,0|1,0,1]=3 6169 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [0,1,0,0,0,0|1,0,2]=4 6170 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [0,1,0,0,0,0|1,0,2]=4 6171 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [0,1,0,0,0,0|1,0,2]=4 6172 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [0,1,0,0,0,0|1,0,1]=3 6173 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [0,1,0,0,0,0|1,0,1]=3 6174 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [0,1,0,0,0,0|1,0,1]=3 6175 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [0,1,0,0,0,0|1,0,2]=4 6176 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [0,1,0,0,0,0|1,0,2]=4 6177 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [0,1,0,0,0,0|1,0,2]=4 6178 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [0,1,0,0,0,0|1,0,2]=4 6179 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [0,1,0,0,0,0|1,0,1]=3 6180 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [0,1,0,0,0,0|1,0,1]=3 6181 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [0,1,0,0,0,0|1,0,1]=3 6182 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [0,1,0,0,0,0|1,0,1]=3 6183 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [0,1,0,0,0,0|1,0,2]=4 6184 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [0,1,0,0,0,0|1,0,2]=4 6185 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [0,1,0,0,0,0|1,0,2]=4 6186 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [0,1,0,0,0,0|1,0,2]=4 6187 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [0,1,0,0,0,0|1,0,2]=4 6188 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [0,1,0,0,0,0|1,0,2]=4 6189 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [0,1,0,0,0,0|1,0,2]=4 6190 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [0,1,0,0,0,0|1,0,2]=4 6191 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [0,1,0,0,0,0|1,0,1]=3 6192 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [0,1,0,0,0,0|1,0,1]=3 6193 B10R0.71 OCC#CCNCCCCO 2230a_100000750430_200000047223 [0,1,0,0,0,0|1,0,2]=4 6194 B10R0.71 OCC#CCNCCCCO 34a_100000750430_200000047223 [0,1,0,0,0,0|1,0,2]=4 6195 B10R0.71 OCC#CCOCCCCBr 34a_100011216708_200000047223 [0,1,0,0,0,0|1,0,2]=4 6196 B10R0.71 OCC#CCOCCCCCl 34a_100000210776_200000047223 [0,1,0,0,0,0|1,0,2]=4 6197 B10R0.71 OCC#CCOCCCCCl 7a_100000210776_200000047223 [0,1,0,0,0,0|1,0,2]=4 6198 B10R0.71 OCC#CCOCCCCF 34a_100011995726_200000047223 [0,1,0,0,0,0|1,0,2]=4 6199 B10R0.71 OCC#CCOCCCCF 7a_100011995726_200000047223 [0,1,0,0,0,0|1,0,2]=4 6200 B10R0.71 OCC#CCOCCCCI 34a_200012148704_200000047223 [0,1,0,0,0,0|1,0,2]=4 6201 B10R0.71 OCC#CCSCCCCF 62a_100000729493_200000047223 [0,1,0,0,0,0|1,0,2]=4 6202 B10R0.71 OCC#CCSCCCCF 62a_200000047223_100000729493 [0,1,0,0,0,0|1,0,2]=4 6203 B10R0.71 OCC#CCSCCCCO 62a_100000210776_200000047223 [0,1,0,0,0,0|1,0,2]=4 6204 B10R0.71 OCC#CCSCCCCO 62a_200000047223_100000210776 [0,1,0,0,0,0|1,0,2]=4 6205 B10R0.71 OCCCCC=NNCCO 4a_100000210001_100000031955 [0,1,0,0,0,0|2,0,1]=4 6206 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [0,1,0,0,0,0|1,0,0]=2 6207 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [0,1,0,0,0,0|1,0,0]=2 6208 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [0,1,0,0,0,0|1,0,0]=2 6209 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [0,1,0,0,0,0|1,0,0]=2 6210 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [0,1,0,0,0,0|1,0,0]=2 6211 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [0,1,0,0,0,0|1,0,0]=2 6212 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [0,1,0,0,0,0|1,0,0]=2 6213 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [0,1,0,0,0,0|1,0,0]=2 6214 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [0,1,0,0,0,0|1,0,0]=2 6215 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [0,1,0,0,0,0|1,0,0]=2 6216 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [0,1,0,0,0,0|1,0,0]=2 6217 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [0,1,0,0,0,0|1,0,0]=2 6218 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [0,1,0,0,0,0|1,0,0]=2 6219 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [0,1,0,0,0,0|1,0,0]=2 6220 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [0,1,0,0,0,0|1,0,0]=2 6221 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [0,1,0,0,0,0|1,0,0]=2 6222 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [0,1,0,0,0,0|1,0,0]=2 6223 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [0,1,0,0,0,0|1,0,0]=2 6224 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [0,1,0,0,0,0|1,0,0]=2 6225 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [0,1,0,0,0,0|1,0,0]=2 6226 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [0,1,0,0,0,0|1,0,0]=2 6227 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [0,1,0,0,0,0|1,0,0]=2 6228 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [0,1,0,0,0,0|1,0,0]=2 6229 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [0,1,0,0,0,0|1,0,0]=2 6230 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [0,1,0,0,0,0|1,0,0]=2 6231 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [0,1,0,0,0,0|1,0,0]=2 6232 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [0,1,0,0,0,0|1,0,0]=2 6233 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [0,1,0,0,0,0|1,0,0]=2 6234 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [0,1,0,0,0,0|1,0,0]=2 6235 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [0,1,0,0,0,0|1,0,0]=2 6236 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [0,1,0,0,0,0|1,0,0]=2 6237 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [0,1,0,0,0,0|1,0,0]=2 6238 B10R0.71 OCCCCOCC#CCCl 34a_200000047223_100011216708 [0,1,0,0,0,0|1,0,2]=4 6239 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [0,1,0,0,0,0|1,0,0]=2 6240 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [0,1,0,0,0,0|1,0,0]=2 6241 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [0,1,0,0,0,0|1,0,0]=2 6242 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [0,1,0,0,0,0|1,0,0]=2 6243 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [0,1,0,0,0,0|1,0,0]=2 6244 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [0,1,0,0,0,0|1,0,0]=2 6245 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [0,1,0,0,0,0|1,0,0]=2 6246 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [0,1,0,0,0,0|1,0,0]=2 6247 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [0,1,0,0,0,0|1,0,0]=2 6248 B10R0.71 OCCCNCCOCCO 2230a_100000211614_100000230001 [0,1,0,0,0,0|2,0,0]=3 6249 B10R0.71 OCCCNCCOCCO 34a_100000211614_100000230001 [0,1,0,0,0,0|2,0,0]=3 6250 B10R0.71 OCCCNCCSCCO 2230a_100011219999_100000230001 [0,1,0,0,0,0|2,0,0]=3 6251 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [0,1,0,0,0,0|1,0,0]=2 6252 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [0,1,0,0,0,0|1,0,0]=2 6253 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [0,1,0,0,0,0|1,0,0]=2 6254 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [0,1,0,0,0,0|1,0,0]=2 6255 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [0,1,0,0,0,0|1,0,0]=2 6256 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [0,1,0,0,0,0|1,0,0]=2 6257 B10R0.71 OCCCOCCCNCF 34a_100011310245_100015361967 [0,1,0,0,0,0|2,0,0]=3 6258 B10R0.71 OCCCOCCOCCBr 34a_100000692535_100000230001 [0,1,0,0,0,0|2,0,0]=3 6259 B10R0.71 OCCCOCCOCCBr 7a_100000692535_100011215043 [0,1,0,0,0,0|2,0,0]=3 6260 B10R0.71 OCCCOCCOCCCl 34a_100011215305_100000230001 [0,1,0,0,0,0|2,0,0]=3 6261 B10R0.71 OCCCOCCOCCCl 7a_100011215305_100011215043 [0,1,0,0,0,0|2,0,0]=3 6262 B10R0.71 OCCCOCCOCCF 34a_200015357709_100000230001 [0,1,0,0,0,0|2,0,0]=3 6263 B10R0.71 OCCCOCCOCCF 7a_200015357709_100011215043 [0,1,0,0,0,0|2,0,0]=3 6264 B10R0.71 OCCCOCCOCCI 34a_100012149058_100000230001 [0,1,0,0,0,0|2,0,0]=3 6265 B10R0.71 OCCCOCCOCCI 7a_100012149058_100011215043 [0,1,0,0,0,0|2,0,0]=3 6266 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [0,1,0,0,0,0|1,0,0]=2 6267 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [0,1,0,0,0,0|1,0,0]=2 6268 B10R0.71 OCCCSCCOCCO 62a_100011215043_100011215305 [0,1,0,0,0,0|2,0,0]=3 6269 B10R0.71 OCCCSCCOCCO 62a_100011215305_100011215043 [0,1,0,0,0,0|2,0,0]=3 6270 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [0,1,0,0,0,0|1,0,0]=2 6271 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [0,1,0,0,0,0|1,0,0]=2 6272 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [0,1,0,0,0,0|1,0,0]=2 6273 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [0,1,0,0,0,0|1,0,0]=2 6274 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [0,1,0,0,0,0|1,0,0]=2 6275 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [0,1,0,0,0,0|1,0,0]=2 6276 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [0,1,0,0,0,0|1,0,0]=2 6277 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [0,1,0,0,0,0|1,0,0]=2 6278 B10R0.71 OCCOCCNCCCF 2230a_100000211614_100011934791 [0,1,0,0,0,0|2,0,0]=3 6279 B10R0.71 OCCOCCNCCCF 2230a_100015189416_100011215305 [0,1,0,0,0,0|2,0,0]=3 6280 B10R0.71 OCCOCCNCCCF 34a_100000211614_100011934791 [0,1,0,0,0,0|2,0,0]=3 6281 B10R0.71 OCCOCCNCCCF 34a_100015189416_100000692535 [0,1,0,0,0,0|2,0,0]=3 6282 B10R0.71 OCCOCCOCCCBr 34a_100011217188_100000692535 [0,1,0,0,0,0|2,0,0]=3 6283 B10R0.71 OCCOCCOCCCCl 34a_100000230001_100000692535 [0,1,0,0,0,0|2,0,0]=3 6284 B10R0.71 OCCOCCOCCCF 34a_100000759539_100000692535 [0,1,0,0,0,0|2,0,0]=3 6285 B10R0.71 OCCOCCSCCCF 62a_100011215305_100011934791 [0,1,0,0,0,0|2,0,0]=3 6286 B10R0.71 OCCOCCSCCCF 62a_100011934791_100011215305 [0,1,0,0,0,0|2,0,0]=3 6287 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [0,1,0,0,0,0|1,0,0]=2 6288 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [0,1,0,0,0,0|1,0,0]=2 6289 B10R0.71 OCCSCCNCCCF 2230a_100011219999_100011934791 [0,1,0,0,0,0|2,0,0]=3 6290 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [0,1,0,0,0,0|0,0,0]=1 6291 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [0,1,0,0,0,0|0,0,0]=1 6292 B10R0.71 [13CH3]NCCCCCCN=[N+]=[N-] 2230a_200000049180_200025704644 [0,1,0,0,0,0|3,0,0]=4 6293 B10R0.71 [13CH3]NCCOCCOCCO 2230a_100011998139_200025704644 [0,1,0,0,0,0|2,0,0]=3 6294 B10R0.71 [13CH3]NCCOCCOCCO 34a_100011998139_200025704644 [0,1,0,0,0,0|2,0,0]=3 6295 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [0,1,0,0,0,0|1,0,0]=2 6296 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [0,1,0,0,0,0|1,0,0]=2 6297 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [0,1,0,0,0,0|1,0,0]=2 6298 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [0,1,0,0,0,0|1,0,0]=2 6299 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [0,1,0,0,0,0|1,0,0]=2 6300 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [0,1,0,0,0,0|2,0,0]=3 6301 B10R0.71 [13CH3]OCCOCCOCCBr 34a_100010132937_200025704644 [0,1,0,0,0,0|3,0,0]=4 6302 B10R0.71 [13CH3]OCCOCCOCCBr 7a_100010132937_200025704644 [0,1,0,0,0,0|3,0,0]=4 6303 B10R0.71 [13CH3]OCCOCCOCCCl 34a_100000032323_200025704644 [0,1,0,0,0,0|3,0,0]=4 6304 B10R0.71 [13CH3]OCCOCCOCCCl 7a_100000032323_200025704644 [0,1,0,0,0,0|3,0,0]=4 6305 B10R0.71 [13CH3]OCCOCCOCCN 34a_100011998139_200025704644 [0,1,0,0,0,0|3,0,0]=4 6306 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [0,1,0,0,0,0|0,0,0]=1 6307 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [0,1,0,0,0,0|0,0,0]=1 6308 B10R0.71 [13CH3]SCCOCCOCCO 62a_100000032323_200025704644 [0,1,0,0,0,0|2,0,0]=3 6309 B10R0.71 [13CH3]SCCOCCOCCO 62a_200025704644_100000032323 [0,1,0,0,0,0|2,0,0]=3 6310 B10R0.71 [N-]=[N+]=NCCCCNCCO 2230a_100000101370_100000211926 [0,1,0,0,0,0|3,0,0]=4 6311 B10R0.71 [N-]=[N+]=NCCCNCCCO 2230a_100000744732_100000230001 [0,1,0,0,0,0|3,0,0]=4 6312 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,1,0,0,0,0|1,0,2]=4 6313 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,1,0,0,0,0|0,0,3]=4 6314 B10R0.74 C#CC(C)NCCCCCC 2230a_100000707721_100000210314 [0,1,0,0,0,0|2,0,1]=4 6315 B10R0.74 C#CC(C)NCCCCCC 34a_100000707721_100000210314 [0,1,0,0,0,0|2,0,1]=4 6316 B10R0.74 C#CC(C)NCCCCCO 2230a_100000707721_100000746330 [0,1,0,0,0,0|1,0,2]=4 6317 B10R0.74 C#CC(C)NCCCCCO 34a_100000707721_100000746330 [0,1,0,0,0,0|1,0,2]=4 6318 B10R0.74 C#CC(C)NCCCCCO 34a_100000762737_200000035995 [0,1,0,0,0,0|1,0,2]=4 6319 B10R0.74 C#CC(C)OCCCCCC 34a_100000210259_200000035995 [0,1,0,0,0,0|2,0,1]=4 6320 B10R0.74 C#CC(C)SCCCCCC 62a_200000035995_100000210757 [0,1,0,0,0,0|2,0,1]=4 6321 B10R0.74 C#CC(C)SCCCCCO 62a_200000035995_100000746330 [0,1,0,0,0,0|1,0,2]=4 6322 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [0,1,0,0,0,0|2,0,1]=4 6323 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [0,1,0,0,0,0|2,0,1]=4 6324 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [0,1,0,0,0,0|2,0,1]=4 6325 B10R0.74 C#CC(O)CCCCCOC 34a_100138415774_200010408556 [0,1,0,0,0,0|2,0,1]=4 6326 B10R0.74 C#CC(O)CCCCCSC 62a_200000210301_200010408556 [0,1,0,0,0,0|2,0,1]=4 6327 B10R0.74 C#CC(O)CCCCCSC 62a_200010408556_200000210301 [0,1,0,0,0,0|2,0,1]=4 6328 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200010408556_200025704644 [0,1,0,0,0,0|2,0,1]=4 6329 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200025704644_200010408556 [0,1,0,0,0,0|2,0,1]=4 6330 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,1,0,0,0,0|1,0,2]=4 6331 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,1,0,0,0,0|1,0,2]=4 6332 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,1,0,0,0,0|0,0,3]=4 6333 B10R0.74 C#CCCCCCN(C)CC 2230a_100000225621_100012094781 [0,1,0,0,0,0|2,0,1]=4 6334 B10R0.74 C#CCCCCCN(C)CC 269982a_100000225621_100012094781 [0,1,0,0,0,0|2,0,1]=4 6335 B10R0.74 C#CCCCCNC(C)CC 2230a_100000209981_100010269958 [0,1,0,0,0,0|2,0,1]=4 6336 B10R0.74 C#CCCCCNC(C)CC 2230a_100000706060_100000758301 [0,1,0,0,0,0|2,0,1]=4 6337 B10R0.74 C#CCCCCNC(C)CC 34a_100000706060_100011215416 [0,1,0,0,0,0|2,0,1]=4 6338 B10R0.74 C#CCCCCNC(C)CO 2230a_100000706060_100012180447 [0,1,0,0,0,0|1,0,2]=4 6339 B10R0.74 C#CCCCCNC(C)CO 34a_100000706060_100012180447 [0,1,0,0,0,0|1,0,2]=4 6340 B10R0.74 C#CCCCCN[C@H](C)CO 2230a_100000737577_100010269958 [0,1,0,0,0,0|1,0,2]=4 6341 B10R0.74 C#CCCCCOC(C)CC 34a_100000766709_100011215416 [0,1,0,0,0,0|2,0,1]=4 6342 B10R0.74 C#CCCCCOC(C)CC 7a_100000210228_100010269958 [0,1,0,0,0,0|2,0,1]=4 6343 B10R0.74 C#CCCCCOC(C)CC 7a_100000766709_100000758301 [0,1,0,0,0,0|2,0,1]=4 6344 B10R0.74 C#CCCCCOC(C)CO 34a_100000766709_100012180447 [0,1,0,0,0,0|1,0,2]=4 6345 B10R0.74 C#CCCCCOC(C)CO 7a_100000766709_100012180447 [0,1,0,0,0,0|1,0,2]=4 6346 B10R0.74 C#CCCCCSC(C)CC 62a_100000758301_100010269958 [0,1,0,0,0,0|2,0,1]=4 6347 B10R0.74 C#CCCCCSC(C)CC 62a_100010269958_100000758301 [0,1,0,0,0,0|2,0,1]=4 6348 B10R0.74 C#CCCCCSC(C)CO 62a_100012180447_100010269958 [0,1,0,0,0,0|1,0,2]=4 6349 B10R0.74 C#CCCCCS[C@H](C)CO 62a_100010269958_100016084084 [0,1,0,0,0,0|1,0,2]=4 6350 B10R0.74 C#CCCCCS[C@H](C)CO 62a_100016084084_100010269958 [0,1,0,0,0,0|1,0,2]=4 6351 B10R0.74 C#CCCCNCC(C)CC 2230a_100020588543_100000731252 [0,1,0,0,0,0|2,0,1]=4 6352 B10R0.74 C#CCCCNCC(C)CC 270004a_100000718082_100000243153 [0,1,0,0,0,0|2,0,1]=4 6353 B10R0.74 C#CCCCNCC(C)CC 34a_100000718082_100000748023 [0,1,0,0,0,0|2,0,1]=4 6354 B10R0.74 C#CCCCNCC(C)CO 34a_100000744482_100000695029 [0,1,0,0,0,0|1,0,2]=4 6355 B10R0.74 C#CCCCNCC(O)CC 2230a_100011218483_100000731252 [0,1,0,0,0,0|2,0,1]=4 6356 B10R0.74 C#CCCCNCC(O)CC 34a_100000718082_100011218378 [0,1,0,0,0,0|2,0,1]=4 6357 B10R0.74 C#CCCCNCC(O)CO 34a_100000718082_100011219619 [0,1,0,0,0,0|1,0,2]=4 6358 B10R0.74 C#CCCCNC[C@@H](C)CC 34a_100000718082_100009816398 [0,1,0,0,0,0|2,0,1]=4 6359 B10R0.74 C#CCCCNC[C@@H](C)CO 34a_100000718082_100000059175 [0,1,0,0,0,0|1,0,2]=4 6360 B10R0.74 C#CCCCNC[C@@H](F)CO 34a_100015665980_100000695029 [0,1,0,0,0,0|1,0,2]=4 6361 B10R0.74 C#CCCCNC[C@@H](O)CO 34a_100000718082_100009815848 [0,1,0,0,0,0|1,0,2]=4 6362 B10R0.74 C#CCCCNC[C@H](O)CO 2230a_100020644852_100000731252 [0,1,0,0,0,0|1,0,2]=4 6363 B10R0.74 C#CCCCOCC(C)CC 34a_100000215630_100000748023 [0,1,0,0,0,0|2,0,1]=4 6364 B10R0.74 C#CCCCOCC(C)CC 7a_100000215630_100000748023 [0,1,0,0,0,0|2,0,1]=4 6365 B10R0.74 C#CCCCOCC(O)CC 34a_100000215630_100011218378 [0,1,0,0,0,0|2,0,1]=4 6366 B10R0.74 C#CCCCOCC(O)CC 7a_100000215630_100011218378 [0,1,0,0,0,0|2,0,1]=4 6367 B10R0.74 C#CCCCOCC(O)CO 34a_100000215630_100011219619 [0,1,0,0,0,0|1,0,2]=4 6368 B10R0.74 C#CCCCOCC(O)CO 7a_100000215630_100011219619 [0,1,0,0,0,0|1,0,2]=4 6369 B10R0.74 C#CCCCOC[C@@H](C)CC 34a_100000215630_100009816398 [0,1,0,0,0,0|2,0,1]=4 6370 B10R0.74 C#CCCCOC[C@@H](C)CC 7a_100000215630_100009816398 [0,1,0,0,0,0|2,0,1]=4 6371 B10R0.74 C#CCCCOC[C@@H](C)CC 7a_100009816381_100011215417 [0,1,0,0,0,0|2,0,1]=4 6372 B10R0.74 C#CCCCOC[C@@H](C)CO 34a_100000215630_100000059175 [0,1,0,0,0,0|1,0,2]=4 6373 B10R0.74 C#CCCCOC[C@@H](C)CO 7a_100000215630_100000059175 [0,1,0,0,0,0|1,0,2]=4 6374 B10R0.74 C#CCCCOC[C@@H](O)CO 34a_100000215630_100009815848 [0,1,0,0,0,0|1,0,2]=4 6375 B10R0.74 C#CCCCOC[C@@H](O)CO 7a_100000215630_100009815848 [0,1,0,0,0,0|1,0,2]=4 6376 B10R0.74 C#CCCCSCC(C)CC 62a_100000748023_100011215417 [0,1,0,0,0,0|2,0,1]=4 6377 B10R0.74 C#CCCCSCC(C)CC 62a_100011215417_100000748023 [0,1,0,0,0,0|2,0,1]=4 6378 B10R0.74 C#CCCCSCC(O)CC 62a_100011215417_100011218378 [0,1,0,0,0,0|2,0,1]=4 6379 B10R0.74 C#CCCCSCC(O)CC 62a_100011218378_100011215417 [0,1,0,0,0,0|2,0,1]=4 6380 B10R0.74 C#CCCCSCC(O)CO 62a_100011215417_100011219619 [0,1,0,0,0,0|1,0,2]=4 6381 B10R0.74 C#CCCCSCC(O)CO 62a_100011219619_100011215417 [0,1,0,0,0,0|1,0,2]=4 6382 B10R0.74 C#CCCCSC[C@@H](C)CC 62a_100009816398_100011215417 [0,1,0,0,0,0|2,0,1]=4 6383 B10R0.74 C#CCCCSC[C@@H](C)CC 62a_100011215417_100009816398 [0,1,0,0,0,0|2,0,1]=4 6384 B10R0.74 C#CCCCSC[C@@H](C)CO 62a_100000059175_100011215417 [0,1,0,0,0,0|1,0,2]=4 6385 B10R0.74 C#CCCCSC[C@@H](C)CO 62a_100011215417_100000059175 [0,1,0,0,0,0|1,0,2]=4 6386 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100009815848_100011215417 [0,1,0,0,0,0|1,0,2]=4 6387 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100011215417_100009815848 [0,1,0,0,0,0|1,0,2]=4 6388 B10R0.74 C#CCCNCCC(C)CC 2230a_100020591266_100000688953 [0,1,0,0,0,0|2,0,1]=4 6389 B10R0.74 C#CCCNCCC(C)CO 2230a_106354213184_100000688953 [0,1,0,0,0,0|1,0,2]=4 6390 B10R0.74 C#CCCNCCC(C)CO 34a_106354213184_100000688953 [0,1,0,0,0,0|1,0,2]=4 6391 B10R0.74 C#CCCOCCC(C)CC 7a_100011215188_100000688953 [0,1,0,0,0,0|2,0,1]=4 6392 B10R0.74 C#CCOCCCC(C)CC 7a_100011216074_100000038162 [0,1,0,0,0,0|2,0,1]=4 6393 B10R0.74 C#C[C@@H](C)OCCCCCC 34a_100009815206_100000210314 [0,1,0,0,0,0|2,0,1]=4 6394 B10R0.74 C#C[C@@H](C)OCCCCCC 7a_100009815206_100000210314 [0,1,0,0,0,0|2,0,1]=4 6395 B10R0.74 C#C[C@@H](C)OCCCCCO 34a_100009815206_100000746330 [0,1,0,0,0,0|1,0,2]=4 6396 B10R0.74 C#C[C@@H](C)OCCCCCO 7a_100009815206_100000746330 [0,1,0,0,0,0|1,0,2]=4 6397 B10R0.74 C/C=C/CCOCC(O)CO 34a_100016278192_100011219619 [0,1,0,0,0,0|1,0,2]=4 6398 B10R0.74 C/C=C/CCOC[C@@H](C)CO 34a_100016278192_100000059175 [0,1,0,0,0,0|1,0,2]=4 6399 B10R0.74 C/C=C/CCOC[C@@H](O)CO 34a_100016278192_100009815848 [0,1,0,0,0,0|1,0,2]=4 6400 B10R0.74 C/C=C/CNCCC(C)CO 34a_106354213184_100102629194 [0,1,0,0,0,0|1,0,2]=4 6401 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,1,0,0,0,0|1,0,2]=4 6402 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,1,0,0,0,0|0,0,3]=4 6403 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,1,0,0,0,0|2,0,1]=4 6404 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,1,0,0,0,0|2,0,1]=4 6405 B10R0.74 C=CC(C)COCCCCO 34a_100011215527_100011216708 [0,1,0,0,0,0|1,0,2]=4 6406 B10R0.74 C=CC(C)COCCCCO 7a_100011215527_100000210776 [0,1,0,0,0,0|1,0,2]=4 6407 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,1,0,0,0,0|2,0,1]=4 6408 B10R0.74 C=CC(C)OCCCCCO 34a_100000695699_100000746330 [0,1,0,0,0,0|1,0,2]=4 6409 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [0,1,0,0,0,0|2,0,1]=4 6410 B10R0.74 C=CC(C)SCCCCCO 62a_100011215867_100000746330 [0,1,0,0,0,0|1,0,2]=4 6411 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,1,0,0,0,0|2,0,1]=4 6412 B10R0.74 C=CC(O)CNCCCCO 2230a_100000750430_100000730141 [0,1,0,0,0,0|1,0,2]=4 6413 B10R0.74 C=CC(O)CNCCCCO 34a_100000750430_100000730141 [0,1,0,0,0,0|1,0,2]=4 6414 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,1,0,0,0,0|2,0,1]=4 6415 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,1,0,0,0,0|2,0,1]=4 6416 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,1,0,0,0,0|2,0,1]=4 6417 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,1,0,0,0,0|2,0,1]=4 6418 B10R0.74 C=CC(O)CSCCCCO 62a_100000210776_100000730141 [0,1,0,0,0,0|1,0,2]=4 6419 B10R0.74 C=CC(O)CSCCCCO 62a_100000730141_100000210776 [0,1,0,0,0,0|1,0,2]=4 6420 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,1,0,0,0,0|1,0,2]=4 6421 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,1,0,0,0,0|1,0,2]=4 6422 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,1,0,0,0,0|0,0,3]=4 6423 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [0,1,0,0,0,0|2,0,1]=4 6424 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [0,1,0,0,0,0|2,0,1]=4 6425 B10R0.74 C=CCCCCNC(C)CC 2230a_100000209981_100011215482 [0,1,0,0,0,0|2,0,1]=4 6426 B10R0.74 C=CCCCCNC(C)CC 2230a_100000703577_100000758301 [0,1,0,0,0,0|2,0,1]=4 6427 B10R0.74 C=CCCCCNC(C)CC 34a_100000703577_100011215416 [0,1,0,0,0,0|2,0,1]=4 6428 B10R0.74 C=CCCCCNC(C)CO 2230a_100000703577_100012180447 [0,1,0,0,0,0|1,0,2]=4 6429 B10R0.74 C=CCCCCNC(C)CO 34a_100000703577_100012180447 [0,1,0,0,0,0|1,0,2]=4 6430 B10R0.74 C=CCCCCN[C@H](C)CO 2230a_100000737577_100011215482 [0,1,0,0,0,0|1,0,2]=4 6431 B10R0.74 C=CCCCCOC(C)CC 34a_100000766645_100011215416 [0,1,0,0,0,0|2,0,1]=4 6432 B10R0.74 C=CCCCCOC(C)CC 7a_100000210228_100011215482 [0,1,0,0,0,0|2,0,1]=4 6433 B10R0.74 C=CCCCCOC(C)CC 7a_100000766645_100000758301 [0,1,0,0,0,0|2,0,1]=4 6434 B10R0.74 C=CCCCCOC(C)CO 34a_100000766645_100012180447 [0,1,0,0,0,0|1,0,2]=4 6435 B10R0.74 C=CCCCCOC(C)CO 7a_100000766645_100012180447 [0,1,0,0,0,0|1,0,2]=4 6436 B10R0.74 C=CCCCCSC(C)CC 62a_100000758301_100011215482 [0,1,0,0,0,0|2,0,1]=4 6437 B10R0.74 C=CCCCCSC(C)CC 62a_100011215482_100000758301 [0,1,0,0,0,0|2,0,1]=4 6438 B10R0.74 C=CCCCCSC(C)CO 62a_100012180447_100011215482 [0,1,0,0,0,0|1,0,2]=4 6439 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100011215482_100016084084 [0,1,0,0,0,0|1,0,2]=4 6440 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100016084084_100011215482 [0,1,0,0,0,0|1,0,2]=4 6441 B10R0.74 C=CCCCNCC(C)CC 2230a_100000700776_100000748023 [0,1,0,0,0,0|2,0,1]=4 6442 B10R0.74 C=CCCCNCC(C)CC 2230a_100020588543_100011713584 [0,1,0,0,0,0|2,0,1]=4 6443 B10R0.74 C=CCCCNCC(C)CC 270004a_100000700776_100000243153 [0,1,0,0,0,0|2,0,1]=4 6444 B10R0.74 C=CCCCNCC(C)CC 34a_100000700776_100000748023 [0,1,0,0,0,0|2,0,1]=4 6445 B10R0.74 C=CCCCNCC(C)CO 34a_100000744482_100000757094 [0,1,0,0,0,0|1,0,2]=4 6446 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [0,1,0,0,0,0|2,0,1]=4 6447 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [0,1,0,0,0,0|2,0,1]=4 6448 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [0,1,0,0,0,0|2,0,1]=4 6449 B10R0.74 C=CCCCNCC(O)CO 2230a_100000700776_100011219619 [0,1,0,0,0,0|1,0,2]=4 6450 B10R0.74 C=CCCCNCC(O)CO 34a_100000700776_100011219619 [0,1,0,0,0,0|1,0,2]=4 6451 B10R0.74 C=CCCCNC[C@@H](C)CC 2230a_100000700776_100009816398 [0,1,0,0,0,0|2,0,1]=4 6452 B10R0.74 C=CCCCNC[C@@H](C)CC 34a_100000700776_100009816398 [0,1,0,0,0,0|2,0,1]=4 6453 B10R0.74 C=CCCCNC[C@@H](C)CO 2230a_100000700776_100000059175 [0,1,0,0,0,0|1,0,2]=4 6454 B10R0.74 C=CCCCNC[C@@H](C)CO 34a_100000700776_100000059175 [0,1,0,0,0,0|1,0,2]=4 6455 B10R0.74 C=CCCCNC[C@@H](F)CO 34a_100015665980_100000757094 [0,1,0,0,0,0|1,0,2]=4 6456 B10R0.74 C=CCCCNC[C@@H](O)CO 2230a_100000700776_100009815848 [0,1,0,0,0,0|1,0,2]=4 6457 B10R0.74 C=CCCCNC[C@@H](O)CO 34a_100000700776_100009815848 [0,1,0,0,0,0|1,0,2]=4 6458 B10R0.74 C=CCCCNC[C@H](O)CO 2230a_100020644852_100011713584 [0,1,0,0,0,0|1,0,2]=4 6459 B10R0.74 C=CCCCOCC(C)CC 34a_100000758997_100000748023 [0,1,0,0,0,0|2,0,1]=4 6460 B10R0.74 C=CCCCOCC(C)CC 7a_100000758997_100000748023 [0,1,0,0,0,0|2,0,1]=4 6461 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [0,1,0,0,0,0|2,0,1]=4 6462 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [0,1,0,0,0,0|2,0,1]=4 6463 B10R0.74 C=CCCCOCC(O)CO 34a_100000758997_100011219619 [0,1,0,0,0,0|1,0,2]=4 6464 B10R0.74 C=CCCCOCC(O)CO 7a_100000758997_100011219619 [0,1,0,0,0,0|1,0,2]=4 6465 B10R0.74 C=CCCCOC[C@@H](C)CC 34a_100000758997_100009816398 [0,1,0,0,0,0|2,0,1]=4 6466 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100000758997_100009816398 [0,1,0,0,0,0|2,0,1]=4 6467 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100009816381_100000757094 [0,1,0,0,0,0|2,0,1]=4 6468 B10R0.74 C=CCCCOC[C@@H](C)CO 34a_100000758997_100000059175 [0,1,0,0,0,0|1,0,2]=4 6469 B10R0.74 C=CCCCOC[C@@H](C)CO 7a_100000758997_100000059175 [0,1,0,0,0,0|1,0,2]=4 6470 B10R0.74 C=CCCCOC[C@@H](O)CO 34a_100000758997_100009815848 [0,1,0,0,0,0|1,0,2]=4 6471 B10R0.74 C=CCCCOC[C@@H](O)CO 7a_100000758997_100009815848 [0,1,0,0,0,0|1,0,2]=4 6472 B10R0.74 C=CCCCSCC(C)CC 62a_100000748023_100000757094 [0,1,0,0,0,0|2,0,1]=4 6473 B10R0.74 C=CCCCSCC(C)CC 62a_100011713584_100000748023 [0,1,0,0,0,0|2,0,1]=4 6474 B10R0.74 C=CCCCSCC(O)CC 62a_100011218378_100000757094 [0,1,0,0,0,0|2,0,1]=4 6475 B10R0.74 C=CCCCSCC(O)CC 62a_100011713584_100011218378 [0,1,0,0,0,0|2,0,1]=4 6476 B10R0.74 C=CCCCSCC(O)CO 62a_100011219619_100000757094 [0,1,0,0,0,0|1,0,2]=4 6477 B10R0.74 C=CCCCSCC(O)CO 62a_100011713584_100011219619 [0,1,0,0,0,0|1,0,2]=4 6478 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100009816398_100000757094 [0,1,0,0,0,0|2,0,1]=4 6479 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100011713584_100009816398 [0,1,0,0,0,0|2,0,1]=4 6480 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100000059175_100000757094 [0,1,0,0,0,0|1,0,2]=4 6481 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100011713584_100000059175 [0,1,0,0,0,0|1,0,2]=4 6482 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100009815848_100000757094 [0,1,0,0,0,0|1,0,2]=4 6483 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100011713584_100009815848 [0,1,0,0,0,0|1,0,2]=4 6484 B10R0.74 C=CCCNCCC(C)CC 2230a_100020591266_100000754431 [0,1,0,0,0,0|2,0,1]=4 6485 B10R0.74 C=CCCNCCC(C)CO 2230a_106354213184_100000754431 [0,1,0,0,0,0|1,0,2]=4 6486 B10R0.74 C=CCCNCCC(C)CO 34a_106354213184_100000754431 [0,1,0,0,0,0|1,0,2]=4 6487 B10R0.74 C=CCCOCCC(C)CC 7a_100011215188_100000754431 [0,1,0,0,0,0|2,0,1]=4 6488 B10R0.74 C=CCOCCCC(C)CC 7a_100011216074_100015514636 [0,1,0,0,0,0|2,0,1]=4 6489 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [0,1,0,0,0,0|2,0,1]=4 6490 B10R0.74 C=C[C@H](N)COCCCCO 34a_100016989147_100011216708 [0,1,0,0,0,0|1,0,2]=4 6491 B10R0.74 CC#CCCOCC(O)CO 34a_100000750427_100011219619 [0,1,0,0,0,0|1,0,2]=4 6492 B10R0.74 CC#CCCOC[C@@H](C)CO 34a_100000750427_100000059175 [0,1,0,0,0,0|1,0,2]=4 6493 B10R0.74 CC#CCCOC[C@@H](O)CO 34a_100000750427_100009815848 [0,1,0,0,0,0|1,0,2]=4 6494 B10R0.74 CC#CCNCCC(C)CO 2230a_106354213184_100000748600 [0,1,0,0,0,0|1,0,2]=4 6495 B10R0.74 CC#CCNCCC(C)CO 34a_106354213184_100000748600 [0,1,0,0,0,0|1,0,2]=4 6496 B10R0.74 CC(C#N)NCCCCCO 2230a_100000737613_100000746330 [0,1,0,0,0,0|2,0,1]=4 6497 B10R0.74 CC(C#N)NCCCCCO 2230a_100000762737_100000184139 [0,1,0,0,0,0|2,0,1]=4 6498 B10R0.74 CC(C#N)OCCCCCO 34a_100011218135_100000746330 [0,1,0,0,0,0|2,0,1]=4 6499 B10R0.74 CC(C#N)SCCCCCO 62a_100000703298_100000746330 [0,1,0,0,0,0|2,0,1]=4 6500 B10R0.74 CC(C#N)SCCCCCO 62a_100000746330_100000703298 [0,1,0,0,0,0|2,0,1]=4 6501 B10R0.74 CC(CF)OCCCCCF 34a_100016041109_100000729378 [0,1,0,0,0,0|3,0,0]=4 6502 B10R0.74 CC(CF)OCCCCCF 7a_100016041109_100000729378 [0,1,0,0,0,0|3,0,0]=4 6503 B10R0.74 CC(CF)OCCCCCO 34a_100016041109_100000746330 [0,1,0,0,0,0|2,0,0]=3 6504 B10R0.74 CC(CF)OCCCCCO 7a_100016041109_100000746330 [0,1,0,0,0,0|2,0,0]=3 6505 B10R0.74 CC(CF)OCCOCCO 34a_100016041109_100000692535 [0,1,0,0,0,0|3,0,0]=4 6506 B10R0.74 CC(CF)OCCOCCO 7a_100016041109_100011215305 [0,1,0,0,0,0|3,0,0]=4 6507 B10R0.74 CC(CN)COCCCCF 34a_100000744482_100000729493 [0,1,0,0,0,0|3,0,0]=4 6508 B10R0.74 CC(CN)COCCCCO 34a_100000744482_100011216708 [0,1,0,0,0,0|2,0,0]=3 6509 B10R0.74 CC(CN)OCCCCCF 34a_100000210904_100000729378 [0,1,0,0,0,0|3,0,0]=4 6510 B10R0.74 CC(CN)OCCCCCO 34a_100000210904_100000746330 [0,1,0,0,0,0|2,0,0]=3 6511 B10R0.74 CC(CN)OCCOCCO 34a_100000210904_100000692535 [0,1,0,0,0,0|3,0,0]=4 6512 B10R0.74 CC(CO)CCNCCC#N 2230a_106354213184_100011215226 [0,1,0,0,0,0|2,0,1]=4 6513 B10R0.74 CC(CO)CCNCCCF 2230a_106354213184_100011934791 [0,1,0,0,0,0|2,0,0]=3 6514 B10R0.74 CC(CO)CCNCCCF 34a_106354213184_100011934791 [0,1,0,0,0,0|2,0,0]=3 6515 B10R0.74 CC(CO)CCNCCCO 2230a_106354213184_100000230001 [0,1,0,0,0,0|2,0,0]=3 6516 B10R0.74 CC(CO)CCNCCCO 34a_106354213184_100000230001 [0,1,0,0,0,0|2,0,0]=3 6517 B10R0.74 CC(CO)CNCCCCF 34a_100000744482_100000729493 [0,1,0,0,0,0|2,0,0]=3 6518 B10R0.74 CC(CO)CNCCCCO 34a_100000744482_100011216708 [0,1,0,0,0,0|2,0,0]=3 6519 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [0,1,0,0,0,0|2,0,0]=3 6520 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [0,1,0,0,0,0|2,0,0]=3 6521 B10R0.74 CC(CO)NCCOCCO 2230a_100000211614_100012180447 [0,1,0,0,0,0|3,0,0]=4 6522 B10R0.74 CC(CO)NCCOCCO 34a_100000211614_100012180447 [0,1,0,0,0,0|3,0,0]=4 6523 B10R0.74 CC(CO)NCCSCCO 2230a_100011219999_100012180447 [0,1,0,0,0,0|3,0,0]=4 6524 B10R0.74 CC(CO)OCCCCCBr 34a_100000746331_100012180447 [0,1,0,0,0,0|2,0,0]=3 6525 B10R0.74 CC(CO)OCCCCCBr 7a_100000746331_100012180447 [0,1,0,0,0,0|2,0,0]=3 6526 B10R0.74 CC(CO)OCCCCCCl 34a_100000746330_100012180447 [0,1,0,0,0,0|2,0,0]=3 6527 B10R0.74 CC(CO)OCCCCCCl 7a_100000746330_100012180447 [0,1,0,0,0,0|2,0,0]=3 6528 B10R0.74 CC(CO)OCCCCCI 34a_200012148887_100012180447 [0,1,0,0,0,0|2,0,0]=3 6529 B10R0.74 CC(CO)OCCCCCI 7a_200012148887_100012180447 [0,1,0,0,0,0|2,0,0]=3 6530 B10R0.74 CC(CO)OCCCCCN 34a_100000762737_100012180447 [0,1,0,0,0,0|2,0,0]=3 6531 B10R0.74 CC(CO)OCCOCCBr 34a_100000692535_100012180447 [0,1,0,0,0,0|3,0,0]=4 6532 B10R0.74 CC(CO)OCCOCCBr 7a_100000692535_100012180447 [0,1,0,0,0,0|3,0,0]=4 6533 B10R0.74 CC(CO)OCCOCCCl 34a_100011215305_100012180447 [0,1,0,0,0,0|3,0,0]=4 6534 B10R0.74 CC(CO)OCCOCCCl 7a_100011215305_100012180447 [0,1,0,0,0,0|3,0,0]=4 6535 B10R0.74 CC(CO)OCCOCCF 34a_200015357709_100012180447 [0,1,0,0,0,0|3,0,0]=4 6536 B10R0.74 CC(CO)OCCOCCF 7a_200015357709_100012180447 [0,1,0,0,0,0|3,0,0]=4 6537 B10R0.74 CC(CO)OCCOCCI 34a_100012149058_100012180447 [0,1,0,0,0,0|3,0,0]=4 6538 B10R0.74 CC(CO)OCCOCCI 7a_100012149058_100012180447 [0,1,0,0,0,0|3,0,0]=4 6539 B10R0.74 CC(CO)OCCOCCN 34a_100000211614_100012180447 [0,1,0,0,0,0|3,0,0]=4 6540 B10R0.74 CC(CO)SCCCCC#N 62a_100012180447_100000211819 [0,1,0,0,0,0|2,0,1]=4 6541 B10R0.74 CC(CO)SCCCCC=O 62a_100012180447_100000139335 [0,1,0,0,0,0|2,0,1]=4 6542 B10R0.74 CC(CO)SCCCCCF 62a_100012180447_100000729378 [0,1,0,0,0,0|2,0,0]=3 6543 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [0,1,0,0,0,0|2,0,0]=3 6544 B10R0.74 CC(CO)SCCOCCO 62a_100012180447_100011215305 [0,1,0,0,0,0|3,0,0]=4 6545 B10R0.74 CC/C=C\CCN[C@H](C)CO 2230a_100000737577_100015370543 [0,1,0,0,0,0|1,0,2]=4 6546 B10R0.74 CC/C=C\CCOC(C)CO 34a_100016288707_100012180447 [0,1,0,0,0,0|1,0,2]=4 6547 B10R0.74 CC/C=C\CCOC(C)CO 7a_100016288707_100012180447 [0,1,0,0,0,0|1,0,2]=4 6548 B10R0.74 CC/C=C\CCSC(C)CO 62a_100012180447_100015370543 [0,1,0,0,0,0|1,0,2]=4 6549 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100015370543_100016084084 [0,1,0,0,0,0|1,0,2]=4 6550 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100016084084_100015370543 [0,1,0,0,0,0|1,0,2]=4 6551 B10R0.74 CC/C=C\CNCC(C)CO 34a_100000744482_100103147603 [0,1,0,0,0,0|1,0,2]=4 6552 B10R0.74 CC/C=C\CNC[C@@H](F)CO 34a_100015665980_100103147603 [0,1,0,0,0,0|1,0,2]=4 6553 B10R0.74 CC/C=C\CNC[C@H](O)CO 2230a_100020644852_100103147603 [0,1,0,0,0,0|1,0,2]=4 6554 B10R0.74 CC/C=C\COCC(O)CO 34a_100016268518_100011219619 [0,1,0,0,0,0|1,0,2]=4 6555 B10R0.74 CC/C=C\COC[C@@H](C)CO 34a_100016268518_100000059175 [0,1,0,0,0,0|1,0,2]=4 6556 B10R0.74 CC/C=C\COC[C@@H](O)CO 34a_100016268518_100009815848 [0,1,0,0,0,0|1,0,2]=4 6557 B10R0.74 CC/C=C\CSCC(O)CO 62a_100011219619_100103147603 [0,1,0,0,0,0|1,0,2]=4 6558 B10R0.74 CC/C=C\CSCC(O)CO 62a_100103147603_100011219619 [0,1,0,0,0,0|1,0,2]=4 6559 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100000059175_100103147603 [0,1,0,0,0,0|1,0,2]=4 6560 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100103147603_100000059175 [0,1,0,0,0,0|1,0,2]=4 6561 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100009815848_100103147603 [0,1,0,0,0,0|1,0,2]=4 6562 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100103147603_100009815848 [0,1,0,0,0,0|1,0,2]=4 6563 B10R0.74 CC=CCCCOC(C)CO 34a_100020645299_100012180447 [0,1,0,0,0,0|1,0,2]=4 6564 B10R0.74 CC=CCNCCC(C)CO 2230a_106354213184_100000070051 [0,1,0,0,0,0|1,0,2]=4 6565 B10R0.74 CC=CCNCCC(C)CO 34a_106354213184_100000070051 [0,1,0,0,0,0|1,0,2]=4 6566 B10R0.74 CCC#CCCOC(C)CO 34a_100000036655_100012180447 [0,1,0,0,0,0|1,0,2]=4 6567 B10R0.74 CCC#CCCOC(C)CO 7a_100000036655_100012180447 [0,1,0,0,0,0|1,0,2]=4 6568 B10R0.74 CCC#CCNCC(C)CO 34a_100000744482_100009813939 [0,1,0,0,0,0|1,0,2]=4 6569 B10R0.74 CCC#CCNC[C@@H](F)CO 34a_100015665980_100009813939 [0,1,0,0,0,0|1,0,2]=4 6570 B10R0.74 CCC#CCNC[C@H](O)CO 2230a_100020644852_100009813939 [0,1,0,0,0,0|1,0,2]=4 6571 B10R0.74 CCC#CCOCC(O)CO 34a_100000032950_100011219619 [0,1,0,0,0,0|1,0,2]=4 6572 B10R0.74 CCC#CCOC[C@@H](C)CO 34a_100000032950_100000059175 [0,1,0,0,0,0|1,0,2]=4 6573 B10R0.74 CCC#CCOC[C@@H](O)CO 34a_100000032950_100009815848 [0,1,0,0,0,0|1,0,2]=4 6574 B10R0.74 CCC#CCSCC(O)CO 62a_100009813939_100011219619 [0,1,0,0,0,0|1,0,2]=4 6575 B10R0.74 CCC#CCSCC(O)CO 62a_100011219619_100009813939 [0,1,0,0,0,0|1,0,2]=4 6576 B10R0.74 CCC#CCSC[C@@H](C)CO 62a_100000059175_100009813939 [0,1,0,0,0,0|1,0,2]=4 6577 B10R0.74 CCC#CCSC[C@@H](C)CO 62a_100009813939_100000059175 [0,1,0,0,0,0|1,0,2]=4 6578 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009813939_100009815848 [0,1,0,0,0,0|1,0,2]=4 6579 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009815848_100009813939 [0,1,0,0,0,0|1,0,2]=4 6580 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,1,0,0,0,0|1,0,2]=4 6581 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,1,0,0,0,0|1,0,1]=3 6582 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,1,0,0,0,0|0,0,1]=2 6583 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,1,0,0,0,0|0,0,1]=2 6584 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,1,0,0,0,0|2,0,1]=4 6585 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,1,0,0,0,0|2,0,1]=4 6586 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,1,0,0,0,0|2,0,1]=4 6587 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,1,0,0,0,0|2,0,1]=4 6588 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,1,0,0,0,0|1,0,1]=3 6589 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,1,0,0,0,0|2,0,1]=4 6590 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,1,0,0,0,0|2,0,1]=4 6591 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,1,0,0,0,0|1,0,1]=3 6592 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,1,0,0,0,0|1,0,1]=3 6593 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,1,0,0,0,0|1,0,1]=3 6594 B10R0.74 CCC(=O)NCCNCCO 34a_100132302217_100000211926 [0,1,0,0,0,0|2,0,1]=4 6595 B10R0.74 CCC(=O)NCCOCCO 240690a_100000211614_100000210414 [0,1,0,0,0,0|2,0,1]=4 6596 B10R0.74 CCC(=O)NCCOCCO 34a_200000158885_100000211926 [0,1,0,0,0,0|2,0,1]=4 6597 B10R0.74 CCC(=O)NCCOCCO 7a_200000158885_100000211926 [0,1,0,0,0,0|2,0,1]=4 6598 B10R0.74 CCC(=O)NCCSCCO 240690a_100011219999_100000210414 [0,1,0,0,0,0|2,0,1]=4 6599 B10R0.74 CCC(=O)NCCSCCO 527a_100011219999_100000210414 [0,1,0,0,0,0|2,0,1]=4 6600 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,1,0,0,0,0|2,0,1]=4 6601 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,1,0,0,0,0|2,0,0]=3 6602 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,1,0,0,0,0|2,0,0]=3 6603 B10R0.74 CCC(C)CCCOCC#N 7a_100011216074_100011215382 [0,1,0,0,0,0|2,0,1]=4 6604 B10R0.74 CCC(C)CCCOCC=O 7a_100011216074_200015260668 [0,1,0,0,0,0|1,0,2]=4 6605 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,1,0,0,0,0|2,0,0]=3 6606 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,1,0,0,0,0|1,0,0]=2 6607 B10R0.74 CCC(C)CCNCCC#N 2230a_100020591266_100011215226 [0,1,0,0,0,0|2,0,1]=4 6608 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [0,1,0,0,0,0|2,0,0]=3 6609 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,1,0,0,0,0|1,0,0]=2 6610 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,1,0,0,0,0|3,0,0]=4 6611 B10R0.74 CCC(C)CCNCCSC 2230a_100020591266_100000751147 [0,1,0,0,0,0|3,0,0]=4 6612 B10R0.74 CCC(C)CCOCCC#N 7a_100011215188_100000184422 [0,1,0,0,0,0|2,0,1]=4 6613 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [0,1,0,0,0,0|2,0,0]=3 6614 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,1,0,0,0,0|1,0,0]=2 6615 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,1,0,0,0,0|3,0,0]=4 6616 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [0,1,0,0,0,0|3,0,0]=4 6617 B10R0.74 CCC(C)CNCC#CCO 2230a_100020588543_200000047223 [0,1,0,0,0,0|1,0,2]=4 6618 B10R0.74 CCC(C)CNCCCC#N 2230a_100020588543_100000687738 [0,1,0,0,0,0|2,0,1]=4 6619 B10R0.74 CCC(C)CNCCCC=O 2230a_100020588543_200011292268 [0,1,0,0,0,0|1,0,2]=4 6620 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [0,1,0,0,0,0|2,0,0]=3 6621 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,1,0,0,0,0|1,0,0]=2 6622 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,1,0,0,0,0|1,0,0]=2 6623 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,1,0,0,0,0|1,0,0]=2 6624 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,1,0,0,0,0|1,0,0]=2 6625 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,1,0,0,0,0|3,0,0]=4 6626 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,1,0,0,0,0|3,0,0]=4 6627 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,1,0,0,0,0|3,0,0]=4 6628 B10R0.74 CCC(C)CNCCCSC 2230a_100000749238_100000748023 [0,1,0,0,0,0|3,0,0]=4 6629 B10R0.74 CCC(C)CNCCCSC 270004a_100000749238_100000243153 [0,1,0,0,0,0|3,0,0]=4 6630 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [0,1,0,0,0,0|2,0,0]=3 6631 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [0,1,0,0,0,0|2,0,0]=3 6632 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [0,1,0,0,0,0|2,0,0]=3 6633 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [0,1,0,0,0,0|2,0,0]=3 6634 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [0,1,0,0,0,0|2,0,0]=3 6635 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [0,1,0,0,0,0|2,0,0]=3 6636 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [0,1,0,0,0,0|2,0,0]=3 6637 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [0,1,0,0,0,0|3,0,0]=4 6638 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [0,1,0,0,0,0|3,0,0]=4 6639 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,1,0,0,0,0|3,0,0]=4 6640 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,1,0,0,0,0|3,0,0]=4 6641 B10R0.74 CCC(C)CSCC#CCO 62a_100000748023_200000047223 [0,1,0,0,0,0|1,0,2]=4 6642 B10R0.74 CCC(C)CSCC#CCO 62a_200000047223_100000748023 [0,1,0,0,0,0|1,0,2]=4 6643 B10R0.74 CCC(C)CSCCCC#N 62a_100000687738_100000748023 [0,1,0,0,0,0|2,0,1]=4 6644 B10R0.74 CCC(C)CSCCCC#N 62a_100000748023_100000687738 [0,1,0,0,0,0|2,0,1]=4 6645 B10R0.74 CCC(C)CSCCCC=O 62a_100000748023_200011292268 [0,1,0,0,0,0|1,0,2]=4 6646 B10R0.74 CCC(C)CSCCCC=O 62a_200011292268_100000748023 [0,1,0,0,0,0|1,0,2]=4 6647 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [0,1,0,0,0,0|2,0,0]=3 6648 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [0,1,0,0,0,0|2,0,0]=3 6649 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,1,0,0,0,0|1,0,0]=2 6650 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,1,0,0,0,0|1,0,0]=2 6651 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [0,1,0,0,0,0|3,0,0]=4 6652 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [0,1,0,0,0,0|3,0,0]=4 6653 B10R0.74 CCC(C)NCCCCC#N 2230a_100000209981_100000211819 [0,1,0,0,0,0|2,0,1]=4 6654 B10R0.74 CCC(C)NCCCCC=O 2230a_100000209981_100000139335 [0,1,0,0,0,0|1,0,2]=4 6655 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [0,1,0,0,0,0|2,0,0]=3 6656 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,1,0,0,0,0|1,0,0]=2 6657 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,1,0,0,0,0|1,0,0]=2 6658 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,1,0,0,0,0|1,0,0]=2 6659 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [0,1,0,0,0,0|3,0,0]=4 6660 B10R0.74 CCC(C)NCCOCCO 2230a_100000209981_100011215305 [0,1,0,0,0,0|2,0,0]=3 6661 B10R0.74 CCC(C)NCCOCCO 2230a_100000211614_100000758301 [0,1,0,0,0,0|2,0,0]=3 6662 B10R0.74 CCC(C)NCCOCCO 34a_100000211614_100011215416 [0,1,0,0,0,0|2,0,0]=3 6663 B10R0.74 CCC(C)NCCSCCO 2230a_100011219999_100000758301 [0,1,0,0,0,0|2,0,0]=3 6664 B10R0.74 CCC(C)OCCCCC#N 7a_100000210228_100000211819 [0,1,0,0,0,0|2,0,1]=4 6665 B10R0.74 CCC(C)OCCCCC=O 7a_100000210228_100000139335 [0,1,0,0,0,0|1,0,2]=4 6666 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,1,0,0,0,0|2,0,0]=3 6667 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,1,0,0,0,0|2,0,0]=3 6668 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,1,0,0,0,0|2,0,0]=3 6669 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,1,0,0,0,0|2,0,0]=3 6670 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,1,0,0,0,0|2,0,0]=3 6671 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,1,0,0,0,0|2,0,0]=3 6672 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,1,0,0,0,0|2,0,0]=3 6673 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,1,0,0,0,0|2,0,0]=3 6674 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,1,0,0,0,0|1,0,0]=2 6675 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [0,1,0,0,0,0|3,0,0]=4 6676 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [0,1,0,0,0,0|3,0,0]=4 6677 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [0,1,0,0,0,0|3,0,0]=4 6678 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [0,1,0,0,0,0|3,0,0]=4 6679 B10R0.74 CCC(C)OCCOCCBr 34a_100000692535_100011215416 [0,1,0,0,0,0|3,0,0]=4 6680 B10R0.74 CCC(C)OCCOCCBr 7a_100000692535_100000758301 [0,1,0,0,0,0|3,0,0]=4 6681 B10R0.74 CCC(C)OCCOCCCl 34a_100011215305_100011215416 [0,1,0,0,0,0|3,0,0]=4 6682 B10R0.74 CCC(C)OCCOCCCl 7a_100011215305_100000758301 [0,1,0,0,0,0|3,0,0]=4 6683 B10R0.74 CCC(C)OCCOCCF 34a_200015357709_100011215416 [0,1,0,0,0,0|3,0,0]=4 6684 B10R0.74 CCC(C)OCCOCCF 7a_200015357709_100000758301 [0,1,0,0,0,0|3,0,0]=4 6685 B10R0.74 CCC(C)OCCOCCI 34a_100012149058_100011215416 [0,1,0,0,0,0|3,0,0]=4 6686 B10R0.74 CCC(C)OCCOCCI 7a_100012149058_100000758301 [0,1,0,0,0,0|3,0,0]=4 6687 B10R0.74 CCC(C)OCCOCCN 34a_100000211614_100011215416 [0,1,0,0,0,0|3,0,0]=4 6688 B10R0.74 CCC(C)OCCOCCO 7a_100000210228_100011215305 [0,1,0,0,0,0|2,0,0]=3 6689 B10R0.74 CCC(C)SCCCCC#N 62a_100000758301_100000211819 [0,1,0,0,0,0|2,0,1]=4 6690 B10R0.74 CCC(C)SCCCCC#N 62a_100011219923_100000758301 [0,1,0,0,0,0|2,0,1]=4 6691 B10R0.74 CCC(C)SCCCCC=O 62a_100000139335_100000758301 [0,1,0,0,0,0|1,0,2]=4 6692 B10R0.74 CCC(C)SCCCCC=O 62a_100000758301_100000139335 [0,1,0,0,0,0|1,0,2]=4 6693 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [0,1,0,0,0,0|2,0,0]=3 6694 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [0,1,0,0,0,0|2,0,0]=3 6695 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,1,0,0,0,0|1,0,0]=2 6696 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,1,0,0,0,0|1,0,0]=2 6697 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [0,1,0,0,0,0|3,0,0]=4 6698 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [0,1,0,0,0,0|3,0,0]=4 6699 B10R0.74 CCC(C)SCCOCCO 62a_100000758301_100011215305 [0,1,0,0,0,0|2,0,0]=3 6700 B10R0.74 CCC(C)SCCOCCO 62a_100011215305_100000758301 [0,1,0,0,0,0|2,0,0]=3 6701 B10R0.74 CCC(O)CNCC#CCO 2230a_100011218483_200000047223 [0,1,0,0,0,0|1,0,2]=4 6702 B10R0.74 CCC(O)CNCCCC#N 2230a_100011218483_100000687738 [0,1,0,0,0,0|2,0,1]=4 6703 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,1,0,0,0,0|1,0,2]=4 6704 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,1,0,0,0,0|2,0,0]=3 6705 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,1,0,0,0,0|1,0,0]=2 6706 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,1,0,0,0,0|1,0,0]=2 6707 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,1,0,0,0,0|1,0,0]=2 6708 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,1,0,0,0,0|3,0,0]=4 6709 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,1,0,0,0,0|3,0,0]=4 6710 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,1,0,0,0,0|3,0,0]=4 6711 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,1,0,0,0,0|2,0,0]=3 6712 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,1,0,0,0,0|2,0,0]=3 6713 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,1,0,0,0,0|2,0,0]=3 6714 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,1,0,0,0,0|2,0,0]=3 6715 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,1,0,0,0,0|2,0,0]=3 6716 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,1,0,0,0,0|2,0,0]=3 6717 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,1,0,0,0,0|2,0,0]=3 6718 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,1,0,0,0,0|3,0,0]=4 6719 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,1,0,0,0,0|3,0,0]=4 6720 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,1,0,0,0,0|3,0,0]=4 6721 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,1,0,0,0,0|3,0,0]=4 6722 B10R0.74 CCC(O)CSCC#CCO 62a_100011218378_200000047223 [0,1,0,0,0,0|1,0,2]=4 6723 B10R0.74 CCC(O)CSCC#CCO 62a_200000047223_100011218378 [0,1,0,0,0,0|1,0,2]=4 6724 B10R0.74 CCC(O)CSCCCC#N 62a_100000687738_100011218378 [0,1,0,0,0,0|2,0,1]=4 6725 B10R0.74 CCC(O)CSCCCC#N 62a_100011218378_100000687738 [0,1,0,0,0,0|2,0,1]=4 6726 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [0,1,0,0,0,0|1,0,2]=4 6727 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [0,1,0,0,0,0|1,0,2]=4 6728 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,1,0,0,0,0|2,0,0]=3 6729 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,1,0,0,0,0|2,0,0]=3 6730 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,1,0,0,0,0|1,0,0]=2 6731 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,1,0,0,0,0|1,0,0]=2 6732 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,1,0,0,0,0|3,0,0]=4 6733 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,1,0,0,0,0|3,0,0]=4 6734 B10R0.74 CCC/C=C/COC(C)CO 34a_100016278788_100012180447 [0,1,0,0,0,0|1,0,2]=4 6735 B10R0.74 CCC/C=C/COC(C)CO 7a_100016278788_100012180447 [0,1,0,0,0,0|1,0,2]=4 6736 B10R0.74 CCCC#CCOC(C)CO 34a_100000034806_100012180447 [0,1,0,0,0,0|1,0,2]=4 6737 B10R0.74 CCCC#CCOC(C)CO 7a_100000034806_100012180447 [0,1,0,0,0,0|1,0,2]=4 6738 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,0,0,0,0|1,0,1]=3 6739 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,0,0,0,0|1,0,1]=3 6740 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,0,0,0,0|1,0,1]=3 6741 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,0,0,0,0|0,0,1]=2 6742 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,0,0,0,0|2,0,1]=4 6743 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,0,0,0,0|2,0,1]=4 6744 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,0,0,0,0|2,0,1]=4 6745 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,0,0,0,0|2,0,1]=4 6746 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,1,0,0,0,0|2,0,0]=3 6747 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,1,0,0,0,0|2,0,0]=3 6748 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,1,0,0,0,0|2,0,0]=3 6749 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,1,0,0,0,0|2,0,0]=3 6750 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,1,0,0,0,0|2,0,0]=3 6751 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,1,0,0,0,0|2,0,0]=3 6752 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,1,0,0,0,0|2,0,0]=3 6753 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,1,0,0,0,0|2,0,0]=3 6754 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,1,0,0,0,0|2,0,0]=3 6755 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,1,0,0,0,0|2,0,0]=3 6756 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,1,0,0,0,0|2,0,0]=3 6757 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,1,0,0,0,0|2,0,0]=3 6758 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,1,0,0,0,0|2,0,0]=3 6759 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,1,0,0,0,0|2,0,0]=3 6760 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,1,0,0,0,0|2,0,0]=3 6761 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,1,0,0,0,0|2,0,0]=3 6762 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,1,0,0,0,0|2,0,0]=3 6763 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,1,0,0,0,0|2,0,0]=3 6764 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,1,0,0,0,0|2,0,0]=3 6765 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,1,0,0,0,0|2,0,0]=3 6766 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,1,0,0,0,0|2,0,0]=3 6767 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,1,0,0,0,0|2,0,0]=3 6768 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 6769 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 6770 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 6771 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 6772 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,1,0,0,0,0|1,0,1]=3 6773 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,1,0,0,0,0|1,0,1]=3 6774 B10R0.74 CCCCCCNC(C)C#N 2230a_100000210581_100000184139 [0,1,0,0,0,0|2,0,1]=4 6775 B10R0.74 CCCCCCNC(C)C#N 2230a_100000737613_100000210314 [0,1,0,0,0,0|2,0,1]=4 6776 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,1,0,0,0,0|2,0,0]=3 6777 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,1,0,0,0,0|2,0,0]=3 6778 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,1,0,0,0,0|1,0,0]=2 6779 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,1,0,0,0,0|1,0,0]=2 6780 B10R0.74 CCCCCCOC(C)C#N 34a_100011218135_100000210314 [0,1,0,0,0,0|2,0,1]=4 6781 B10R0.74 CCCCCCOC(C)C#N 7a_100000210259_100000703298 [0,1,0,0,0,0|2,0,1]=4 6782 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,1,0,0,0,0|2,0,0]=3 6783 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,1,0,0,0,0|2,0,0]=3 6784 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,1,0,0,0,0|2,0,0]=3 6785 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,1,0,0,0,0|2,0,0]=3 6786 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,1,0,0,0,0|2,0,0]=3 6787 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,1,0,0,0,0|2,0,0]=3 6788 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,1,0,0,0,0|1,0,0]=2 6789 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,1,0,0,0,0|1,0,0]=2 6790 B10R0.74 CCCCCCSC(C)C#N 62a_100000210314_100000703298 [0,1,0,0,0,0|2,0,1]=4 6791 B10R0.74 CCCCCCSC(C)C#N 62a_100000703298_100000210757 [0,1,0,0,0,0|2,0,1]=4 6792 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,1,0,0,0,0|2,0,0]=3 6793 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,1,0,0,0,0|2,0,0]=3 6794 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,1,0,0,0,0|1,0,0]=2 6795 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,1,0,0,0,0|3,0,0]=4 6796 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,1,0,0,0,0|3,0,0]=4 6797 B10R0.74 CCCCCCSC(F)C#N 62a_100000210314_200000117898 [0,1,0,0,0,0|2,0,1]=4 6798 B10R0.74 CCCCCCSC(F)C#N 62a_200000117898_100000210757 [0,1,0,0,0,0|2,0,1]=4 6799 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,1,0,0,0,0|1,0,0]=2 6800 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,1,0,0,0,0|1,0,0]=2 6801 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,1,0,0,0,0|2,0,0]=3 6802 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,1,0,0,0,0|2,0,0]=3 6803 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,1,0,0,0,0|2,0,0]=3 6804 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,1,0,0,0,0|1,0,0]=2 6805 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,1,0,0,0,0|2,0,0]=3 6806 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,1,0,0,0,0|2,0,0]=3 6807 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,1,0,0,0,0|1,0,0]=2 6808 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,1,0,0,0,0|2,0,0]=3 6809 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,1,0,0,0,0|1,0,0]=2 6810 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,1,0,0,0,0|3,0,0]=4 6811 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,1,0,0,0,0|1,0,0]=2 6812 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,1,0,0,0,0|2,0,0]=3 6813 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,1,0,0,0,0|1,0,0]=2 6814 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,1,0,0,0,0|1,0,0]=2 6815 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,1,0,0,0,0|2,0,1]=4 6816 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,1,0,0,0,0|2,0,1]=4 6817 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,1,0,0,0,0|2,0,1]=4 6818 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,1,0,0,0,0|2,0,1]=4 6819 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,1,0,0,0,0|2,0,0]=3 6820 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,1,0,0,0,0|2,0,0]=3 6821 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,1,0,0,0,0|2,0,0]=3 6822 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,1,0,0,0,0|3,0,0]=4 6823 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,1,0,0,0,0|2,0,0]=3 6824 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,1,0,0,0,0|2,0,0]=3 6825 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,1,0,0,0,0|2,0,0]=3 6826 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,1,0,0,0,0|1,0,0]=2 6827 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,1,0,0,0,0|1,0,0]=2 6828 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,1,0,0,0,0|2,0,0]=3 6829 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,1,0,0,0,0|2,0,0]=3 6830 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,1,0,0,0,0|2,0,0]=3 6831 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,1,0,0,0,0|1,0,0]=2 6832 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,1,0,0,0,0|1,0,0]=2 6833 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,1,0,0,0,0|2,0,0]=3 6834 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,1,0,0,0,0|2,0,0]=3 6835 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,1,0,0,0,0|1,0,0]=2 6836 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,1,0,0,0,0|1,0,0]=2 6837 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,1,0,0,0,0|2,0,0]=3 6838 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,1,0,0,0,0|2,0,1]=4 6839 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,1,0,0,0,0|2,0,1]=4 6840 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,1,0,0,0,0|2,0,0]=3 6841 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,1,0,0,0,0|2,0,0]=3 6842 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,1,0,0,0,0|2,0,0]=3 6843 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,1,0,0,0,0|2,0,0]=3 6844 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,1,0,0,0,0|1,0,0]=2 6845 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,1,0,0,0,0|1,0,0]=2 6846 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,1,0,0,0,0|2,0,0]=3 6847 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,1,0,0,0,0|2,0,0]=3 6848 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,1,0,0,0,0|1,0,0]=2 6849 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,1,0,0,0,0|1,0,0]=2 6850 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,1,0,0,0,0|2,0,0]=3 6851 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,1,0,0,0,0|2,0,0]=3 6852 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,1,0,0,0,0|1,0,0]=2 6853 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,1,0,0,0,0|1,0,0]=2 6854 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,1,0,0,0,0|2,0,0]=3 6855 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,1,0,0,0,0|1,0,0]=2 6856 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,1,0,0,0,0|1,0,0]=2 6857 B10R0.74 CCCCNN=CC(O)CO 4a_100025702795_100000033539 [0,1,0,0,0,0|2,0,1]=4 6858 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,1,0,0,0,0|2,0,1]=4 6859 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,1,0,0,0,0|2,0,1]=4 6860 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,1,0,0,0,0|1,0,1]=3 6861 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,1,0,0,0,0|2,0,0]=3 6862 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,1,0,0,0,0|3,0,0]=4 6863 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,1,0,0,0,0|3,0,0]=4 6864 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,1,0,0,0,0|3,0,0]=4 6865 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [0,1,0,0,0,0|3,0,0]=4 6866 B10R0.74 CCCCOCN[C@H](C)CO 2230a_100000737577_100011995733 [0,1,0,0,0,0|2,0,0]=3 6867 B10R0.74 CCCCOCOC(C)CF 34a_100016041109_100011995733 [0,1,0,0,0,0|3,0,0]=4 6868 B10R0.74 CCCCOCOC(C)CN 34a_100000210904_100011995733 [0,1,0,0,0,0|3,0,0]=4 6869 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [0,1,0,0,0,0|3,0,0]=4 6870 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [0,1,0,0,0,0|3,0,0]=4 6871 B10R0.74 CCCCOCSC(C)CO 62a_100012180447_100011995733 [0,1,0,0,0,0|2,0,0]=3 6872 B10R0.74 CCCCOCS[C@H](C)CO 62a_100011995733_100016084084 [0,1,0,0,0,0|2,0,0]=3 6873 B10R0.74 CCCCOCS[C@H](C)CO 62a_100016084084_100011995733 [0,1,0,0,0,0|2,0,0]=3 6874 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,1,0,0,0,0|2,0,0]=3 6875 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,1,0,0,0,0|2,0,0]=3 6876 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,1,0,0,0,0|2,0,1]=4 6877 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,1,0,0,0,0|2,0,1]=4 6878 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [0,1,0,0,0,0|3,0,0]=4 6879 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [0,1,0,0,0,0|3,0,0]=4 6880 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [0,1,0,0,0,0|3,0,0]=4 6881 B10R0.74 CCCOCCNC(C)CO 2230a_100161115042_100012180447 [0,1,0,0,0,0|2,0,0]=3 6882 B10R0.74 CCCOCCNC(C)CO 34a_100161115042_100012180447 [0,1,0,0,0,0|2,0,0]=3 6883 B10R0.74 CCCOCCN[C@H](C)CO 2230a_100000737577_100011215938 [0,1,0,0,0,0|2,0,0]=3 6884 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,1,0,0,0,0|3,0,0]=4 6885 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,1,0,0,0,0|3,0,0]=4 6886 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,1,0,0,0,0|3,0,0]=4 6887 B10R0.74 CCCOCCOC(C)CF 34a_100016041109_100011215938 [0,1,0,0,0,0|3,0,0]=4 6888 B10R0.74 CCCOCCOC(C)CF 7a_100016041109_100011215938 [0,1,0,0,0,0|3,0,0]=4 6889 B10R0.74 CCCOCCOC(C)CN 34a_100000210904_100011215938 [0,1,0,0,0,0|3,0,0]=4 6890 B10R0.74 CCCOCCOC(C)CO 34a_100000752267_100012180447 [0,1,0,0,0,0|2,0,0]=3 6891 B10R0.74 CCCOCCOC(C)CO 7a_100000752267_100012180447 [0,1,0,0,0,0|2,0,0]=3 6892 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [0,1,0,0,0,0|3,0,0]=4 6893 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [0,1,0,0,0,0|3,0,0]=4 6894 B10R0.74 CCCOCCSC(C)CO 62a_100012180447_100011215938 [0,1,0,0,0,0|2,0,0]=3 6895 B10R0.74 CCCOCCS[C@H](C)CO 62a_100011215938_100016084084 [0,1,0,0,0,0|2,0,0]=3 6896 B10R0.74 CCCOCCS[C@H](C)CO 62a_100016084084_100011215938 [0,1,0,0,0,0|2,0,0]=3 6897 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [0,1,0,0,0,0|3,0,0]=4 6898 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,1,0,0,0,0|2,0,1]=4 6899 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,1,0,0,0,0|2,0,1]=4 6900 B10R0.74 CCCSCCNC(C)CC 2230a_100020603323_100000758301 [0,1,0,0,0,0|3,0,0]=4 6901 B10R0.74 CCCSCCNC(C)CO 2230a_100020603323_100012180447 [0,1,0,0,0,0|2,0,0]=3 6902 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [0,1,0,0,0,0|3,0,0]=4 6903 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [0,1,0,0,0,0|3,0,0]=4 6904 B10R0.74 CCCSCCOC(C)CO 34a_200000230433_100012180447 [0,1,0,0,0,0|2,0,0]=3 6905 B10R0.74 CCCSCCOC(C)CO 7a_200000230433_100012180447 [0,1,0,0,0,0|2,0,0]=3 6906 B10R0.74 CCN(C)CCCCCC#N 2230a_100000225621_100009813376 [0,1,0,0,0,0|2,0,1]=4 6907 B10R0.74 CCN(C)CCCCCC#N 269982a_100000225621_100009813376 [0,1,0,0,0,0|2,0,1]=4 6908 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [0,1,0,0,0,0|1,0,2]=4 6909 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [0,1,0,0,0,0|1,0,2]=4 6910 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,1,0,0,0,0|2,0,0]=3 6911 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,1,0,0,0,0|2,0,0]=3 6912 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,1,0,0,0,0|1,0,0]=2 6913 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,1,0,0,0,0|1,0,0]=2 6914 B10R0.74 CCN(C)CCCNCCO 2230a_100016997473_100015186262 [0,1,0,0,0,0|2,0,0]=3 6915 B10R0.74 CCN(C)CCCSCCF 62a_100011217306_100015186262 [0,1,0,0,0,0|3,0,0]=4 6916 B10R0.74 CCN(C)CCCSCCO 62a_100000211926_100015186262 [0,1,0,0,0,0|2,0,0]=3 6917 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,1,0,0,0,0|2,0,1]=4 6918 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,1,0,0,0,0|2,0,1]=4 6919 B10R0.74 CCOCCCNC(C)CC 2230a_100000209981_100012232248 [0,1,0,0,0,0|3,0,0]=4 6920 B10R0.74 CCOCCCNC(C)CC 2230a_100000210961_100000758301 [0,1,0,0,0,0|3,0,0]=4 6921 B10R0.74 CCOCCCNC(C)CC 34a_100000210961_100011215416 [0,1,0,0,0,0|3,0,0]=4 6922 B10R0.74 CCOCCCNC(C)CO 2230a_100000210961_100012180447 [0,1,0,0,0,0|2,0,0]=3 6923 B10R0.74 CCOCCCNC(C)CO 34a_100000210961_100012180447 [0,1,0,0,0,0|2,0,0]=3 6924 B10R0.74 CCOCCCN[C@H](C)CO 2230a_100000737577_100012232248 [0,1,0,0,0,0|2,0,0]=3 6925 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [0,1,0,0,0,0|3,0,0]=4 6926 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [0,1,0,0,0,0|3,0,0]=4 6927 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [0,1,0,0,0,0|3,0,0]=4 6928 B10R0.74 CCOCCCOC(C)CF 34a_100016041109_100012232248 [0,1,0,0,0,0|3,0,0]=4 6929 B10R0.74 CCOCCCOC(C)CF 7a_100016041109_100012232248 [0,1,0,0,0,0|3,0,0]=4 6930 B10R0.74 CCOCCCOC(C)CN 34a_100000210904_100012232248 [0,1,0,0,0,0|3,0,0]=4 6931 B10R0.74 CCOCCCOC(C)CO 34a_100000757476_100012180447 [0,1,0,0,0,0|2,0,0]=3 6932 B10R0.74 CCOCCCOC(C)CO 7a_100000757476_100012180447 [0,1,0,0,0,0|2,0,0]=3 6933 B10R0.74 CCOCCCSC(C)CC 62a_100000758301_100012232248 [0,1,0,0,0,0|3,0,0]=4 6934 B10R0.74 CCOCCCSC(C)CC 62a_100012232248_100000758301 [0,1,0,0,0,0|3,0,0]=4 6935 B10R0.74 CCOCCCSC(C)CO 62a_100012180447_100012232248 [0,1,0,0,0,0|2,0,0]=3 6936 B10R0.74 CCOCCCS[C@H](C)CO 62a_100012232248_100016084084 [0,1,0,0,0,0|2,0,0]=3 6937 B10R0.74 CCOCCCS[C@H](C)CO 62a_100016084084_100012232248 [0,1,0,0,0,0|2,0,0]=3 6938 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [0,1,0,0,0,0|3,0,0]=4 6939 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [0,1,0,0,0,0|3,0,0]=4 6940 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [0,1,0,0,0,0|3,0,0]=4 6941 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [0,1,0,0,0,0|3,0,0]=4 6942 B10R0.74 CCOCCNCC(C)CO 34a_100000744482_100000210147 [0,1,0,0,0,0|2,0,0]=3 6943 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,1,0,0,0,0|3,0,0]=4 6944 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,1,0,0,0,0|3,0,0]=4 6945 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,1,0,0,0,0|3,0,0]=4 6946 B10R0.74 CCOCCNCC(O)CO 2230a_102516460346_100011219619 [0,1,0,0,0,0|2,0,0]=3 6947 B10R0.74 CCOCCNCC(O)CO 34a_102516460346_100011219619 [0,1,0,0,0,0|2,0,0]=3 6948 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [0,1,0,0,0,0|3,0,0]=4 6949 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [0,1,0,0,0,0|3,0,0]=4 6950 B10R0.74 CCOCCNC[C@@H](C)CO 2230a_102516460346_100000059175 [0,1,0,0,0,0|2,0,0]=3 6951 B10R0.74 CCOCCNC[C@@H](C)CO 34a_102516460346_100000059175 [0,1,0,0,0,0|2,0,0]=3 6952 B10R0.74 CCOCCNC[C@@H](F)CO 34a_100015665980_100000210147 [0,1,0,0,0,0|2,0,0]=3 6953 B10R0.74 CCOCCNC[C@@H](O)CF 2230a_102516460346_100015614560 [0,1,0,0,0,0|3,0,0]=4 6954 B10R0.74 CCOCCNC[C@@H](O)CF 34a_102516460346_100015614560 [0,1,0,0,0,0|3,0,0]=4 6955 B10R0.74 CCOCCNC[C@@H](O)CO 2230a_102516460346_100009815848 [0,1,0,0,0,0|2,0,0]=3 6956 B10R0.74 CCOCCNC[C@@H](O)CO 34a_102516460346_100009815848 [0,1,0,0,0,0|2,0,0]=3 6957 B10R0.74 CCOCCNC[C@H](O)CO 2230a_100020644852_100011215890 [0,1,0,0,0,0|2,0,0]=3 6958 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [0,1,0,0,0,0|3,0,0]=4 6959 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [0,1,0,0,0,0|3,0,0]=4 6960 B10R0.74 CCOCCOCC(C)CN 34a_100000744482_100000210147 [0,1,0,0,0,0|3,0,0]=4 6961 B10R0.74 CCOCCOCC(Cl)CCl 34a_100000033668_100000210147 [0,1,0,0,0,0|3,0,0]=4 6962 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,1,0,0,0,0|3,0,0]=4 6963 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,1,0,0,0,0|3,0,0]=4 6964 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [0,1,0,0,0,0|2,0,0]=3 6965 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [0,1,0,0,0,0|2,0,0]=3 6966 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [0,1,0,0,0,0|3,0,0]=4 6967 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [0,1,0,0,0,0|3,0,0]=4 6968 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [0,1,0,0,0,0|3,0,0]=4 6969 B10R0.74 CCOCCOC[C@@H](C)CO 34a_100000210136_100000059175 [0,1,0,0,0,0|2,0,0]=3 6970 B10R0.74 CCOCCOC[C@@H](C)CO 7a_100000210136_100000059175 [0,1,0,0,0,0|2,0,0]=3 6971 B10R0.74 CCOCCOC[C@@H](O)CF 34a_100000210136_100015614560 [0,1,0,0,0,0|3,0,0]=4 6972 B10R0.74 CCOCCOC[C@@H](O)CF 7a_100000210136_100015614560 [0,1,0,0,0,0|3,0,0]=4 6973 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [0,1,0,0,0,0|2,0,0]=3 6974 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [0,1,0,0,0,0|2,0,0]=3 6975 B10R0.74 CCOCCOC[C@H](F)CN 34a_100015665980_100000210147 [0,1,0,0,0,0|3,0,0]=4 6976 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [0,1,0,0,0,0|3,0,0]=4 6977 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [0,1,0,0,0,0|3,0,0]=4 6978 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,1,0,0,0,0|3,0,0]=4 6979 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,1,0,0,0,0|3,0,0]=4 6980 B10R0.74 CCOCCSCC(O)CO 62a_100000210147_100011219619 [0,1,0,0,0,0|2,0,0]=3 6981 B10R0.74 CCOCCSCC(O)CO 62a_100011219619_100011215890 [0,1,0,0,0,0|2,0,0]=3 6982 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [0,1,0,0,0,0|3,0,0]=4 6983 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [0,1,0,0,0,0|3,0,0]=4 6984 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000059175_100011215890 [0,1,0,0,0,0|2,0,0]=3 6985 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000210147_100000059175 [0,1,0,0,0,0|2,0,0]=3 6986 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100000210147_100015614560 [0,1,0,0,0,0|3,0,0]=4 6987 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100015614560_100011215890 [0,1,0,0,0,0|3,0,0]=4 6988 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100000210147_100009815848 [0,1,0,0,0,0|2,0,0]=3 6989 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100009815848_100011215890 [0,1,0,0,0,0|2,0,0]=3 6990 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [0,1,0,0,0,0|3,0,0]=4 6991 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [0,1,0,0,0,0|3,0,0]=4 6992 B10R0.74 CCSCCCOC(C)CO 34a_100011216438_100012180447 [0,1,0,0,0,0|2,0,0]=3 6993 B10R0.74 CCSCCCOC(C)CO 7a_100011216438_100012180447 [0,1,0,0,0,0|2,0,0]=3 6994 B10R0.74 CCSCCNCC(C)CC 2230a_100000106463_100000748023 [0,1,0,0,0,0|3,0,0]=4 6995 B10R0.74 CCSCCNCC(C)CC 2230a_100020588543_100000757381 [0,1,0,0,0,0|3,0,0]=4 6996 B10R0.74 CCSCCNCC(C)CC 270004a_100000106463_100000243153 [0,1,0,0,0,0|3,0,0]=4 6997 B10R0.74 CCSCCNCC(C)CO 34a_100000744482_100000757381 [0,1,0,0,0,0|2,0,0]=3 6998 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [0,1,0,0,0,0|3,0,0]=4 6999 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [0,1,0,0,0,0|3,0,0]=4 7000 B10R0.74 CCSCCNCC(O)CO 2230a_100000106463_100011219619 [0,1,0,0,0,0|2,0,0]=3 7001 B10R0.74 CCSCCNC[C@@H](C)CC 2230a_100000106463_100009816398 [0,1,0,0,0,0|3,0,0]=4 7002 B10R0.74 CCSCCNC[C@@H](C)CO 2230a_100000106463_100000059175 [0,1,0,0,0,0|2,0,0]=3 7003 B10R0.74 CCSCCNC[C@@H](F)CO 34a_100015665980_100000757381 [0,1,0,0,0,0|2,0,0]=3 7004 B10R0.74 CCSCCNC[C@@H](O)CF 2230a_100000106463_100015614560 [0,1,0,0,0,0|3,0,0]=4 7005 B10R0.74 CCSCCNC[C@@H](O)CO 2230a_100000106463_100009815848 [0,1,0,0,0,0|2,0,0]=3 7006 B10R0.74 CCSCCNC[C@H](O)CO 2230a_100020644852_100000757381 [0,1,0,0,0,0|2,0,0]=3 7007 B10R0.74 CCSCCOCC(C)CC 34a_100000212035_100000748023 [0,1,0,0,0,0|3,0,0]=4 7008 B10R0.74 CCSCCOCC(C)CC 7a_100000212035_100000748023 [0,1,0,0,0,0|3,0,0]=4 7009 B10R0.74 CCSCCOCC(C)CN 34a_100000744482_100000757381 [0,1,0,0,0,0|3,0,0]=4 7010 B10R0.74 CCSCCOCC(Cl)CCl 34a_100000033668_100000757381 [0,1,0,0,0,0|3,0,0]=4 7011 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [0,1,0,0,0,0|3,0,0]=4 7012 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [0,1,0,0,0,0|3,0,0]=4 7013 B10R0.74 CCSCCOCC(O)CO 34a_100000212035_100011219619 [0,1,0,0,0,0|2,0,0]=3 7014 B10R0.74 CCSCCOCC(O)CO 7a_100000212035_100011219619 [0,1,0,0,0,0|2,0,0]=3 7015 B10R0.74 CCSCCOC[C@@H](C)CC 34a_100000212035_100009816398 [0,1,0,0,0,0|3,0,0]=4 7016 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100000212035_100009816398 [0,1,0,0,0,0|3,0,0]=4 7017 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100009816381_100000757381 [0,1,0,0,0,0|3,0,0]=4 7018 B10R0.74 CCSCCOC[C@@H](C)CO 34a_100000212035_100000059175 [0,1,0,0,0,0|2,0,0]=3 7019 B10R0.74 CCSCCOC[C@@H](C)CO 7a_100000212035_100000059175 [0,1,0,0,0,0|2,0,0]=3 7020 B10R0.74 CCSCCOC[C@@H](O)CF 34a_100000212035_100015614560 [0,1,0,0,0,0|3,0,0]=4 7021 B10R0.74 CCSCCOC[C@@H](O)CF 7a_100000212035_100015614560 [0,1,0,0,0,0|3,0,0]=4 7022 B10R0.74 CCSCCOC[C@@H](O)CO 34a_100000212035_100009815848 [0,1,0,0,0,0|2,0,0]=3 7023 B10R0.74 CCSCCOC[C@@H](O)CO 7a_100000212035_100009815848 [0,1,0,0,0,0|2,0,0]=3 7024 B10R0.74 CCSCCOC[C@H](F)CN 34a_100015665980_100000757381 [0,1,0,0,0,0|3,0,0]=4 7025 B10R0.74 CCSCCSCC(C)CC 62a_100000748023_100000757381 [0,1,0,0,0,0|3,0,0]=4 7026 B10R0.74 CCSCCSCC(C)CC 62a_100000757381_100000748023 [0,1,0,0,0,0|3,0,0]=4 7027 B10R0.74 CCSCCSCC(O)CC 62a_100000757381_100011218378 [0,1,0,0,0,0|3,0,0]=4 7028 B10R0.74 CCSCCSCC(O)CC 62a_100011218378_100000757381 [0,1,0,0,0,0|3,0,0]=4 7029 B10R0.74 CCSCCSCC(O)CO 62a_100000757381_100011219619 [0,1,0,0,0,0|2,0,0]=3 7030 B10R0.74 CCSCCSCC(O)CO 62a_100011219619_100000757381 [0,1,0,0,0,0|2,0,0]=3 7031 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100000757381_100009816398 [0,1,0,0,0,0|3,0,0]=4 7032 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100009816398_100000757381 [0,1,0,0,0,0|3,0,0]=4 7033 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000059175_100000757381 [0,1,0,0,0,0|2,0,0]=3 7034 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000757381_100000059175 [0,1,0,0,0,0|2,0,0]=3 7035 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100000757381_100015614560 [0,1,0,0,0,0|3,0,0]=4 7036 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100015614560_100000757381 [0,1,0,0,0,0|3,0,0]=4 7037 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100000757381_100009815848 [0,1,0,0,0,0|2,0,0]=3 7038 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100009815848_100000757381 [0,1,0,0,0,0|2,0,0]=3 7039 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,1,0,0,0,0|1,0,0]=2 7040 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,1,0,0,0,0|1,0,0]=2 7041 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,1,0,0,0,0|3,0,0]=4 7042 B10R0.74 CC[C@H](C)CNCCCSC 2230a_100000749238_100009816398 [0,1,0,0,0,0|3,0,0]=4 7043 B10R0.74 CC[C@H](C)COCC#CCO 7a_100009816381_200000047223 [0,1,0,0,0,0|1,0,2]=4 7044 B10R0.74 CC[C@H](C)COCCCC#N 7a_100009816381_100000687738 [0,1,0,0,0,0|2,0,1]=4 7045 B10R0.74 CC[C@H](C)COCCCC=O 7a_100009816381_200011292268 [0,1,0,0,0,0|1,0,2]=4 7046 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [0,1,0,0,0,0|2,0,0]=3 7047 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [0,1,0,0,0,0|2,0,0]=3 7048 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [0,1,0,0,0,0|2,0,0]=3 7049 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [0,1,0,0,0,0|2,0,0]=3 7050 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [0,1,0,0,0,0|2,0,0]=3 7051 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [0,1,0,0,0,0|2,0,0]=3 7052 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [0,1,0,0,0,0|2,0,0]=3 7053 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [0,1,0,0,0,0|2,0,0]=3 7054 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,1,0,0,0,0|1,0,0]=2 7055 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [0,1,0,0,0,0|3,0,0]=4 7056 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [0,1,0,0,0,0|3,0,0]=4 7057 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [0,1,0,0,0,0|3,0,0]=4 7058 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,1,0,0,0,0|3,0,0]=4 7059 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,1,0,0,0,0|3,0,0]=4 7060 B10R0.74 CC[C@H](C)CSCC#CCO 62a_100009816398_200000047223 [0,1,0,0,0,0|1,0,2]=4 7061 B10R0.74 CC[C@H](C)CSCC#CCO 62a_200000047223_100009816398 [0,1,0,0,0,0|1,0,2]=4 7062 B10R0.74 CC[C@H](C)CSCCCC#N 62a_100000687738_100009816398 [0,1,0,0,0,0|2,0,1]=4 7063 B10R0.74 CC[C@H](C)CSCCCC#N 62a_100009816398_100000687738 [0,1,0,0,0,0|2,0,1]=4 7064 B10R0.74 CC[C@H](C)CSCCCC=O 62a_100009816398_200011292268 [0,1,0,0,0,0|1,0,2]=4 7065 B10R0.74 CC[C@H](C)CSCCCC=O 62a_200011292268_100009816398 [0,1,0,0,0,0|1,0,2]=4 7066 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [0,1,0,0,0,0|2,0,0]=3 7067 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [0,1,0,0,0,0|2,0,0]=3 7068 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,1,0,0,0,0|1,0,0]=2 7069 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,1,0,0,0,0|1,0,0]=2 7070 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [0,1,0,0,0,0|3,0,0]=4 7071 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [0,1,0,0,0,0|3,0,0]=4 7072 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,1,0,0,0,0|1,0,1]=3 7073 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,1,0,0,0,0|2,0,1]=4 7074 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,1,0,0,0,0|2,0,1]=4 7075 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,1,0,0,0,0|2,0,1]=4 7076 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,1,0,0,0,0|2,0,1]=4 7077 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,1,0,0,0,0|2,0,1]=4 7078 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,1,0,0,0,0|2,0,1]=4 7079 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,1,0,0,0,0|2,0,1]=4 7080 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,1,0,0,0,0|2,0,1]=4 7081 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,1,0,0,0,0|2,0,1]=4 7082 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,1,0,0,0,0|2,0,1]=4 7083 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,1,0,0,0,0|2,0,1]=4 7084 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,1,0,0,0,0|2,0,1]=4 7085 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,1,0,0,0,0|2,0,1]=4 7086 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,1,0,0,0,0|2,0,1]=4 7087 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,1,0,0,0,0|2,0,1]=4 7088 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,1,0,0,0,0|2,0,1]=4 7089 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,1,0,0,0,0|2,0,1]=4 7090 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,1,0,0,0,0|2,0,1]=4 7091 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,1,0,0,0,0|2,0,1]=4 7092 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,1,0,0,0,0|2,0,1]=4 7093 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,1,0,0,0,0|2,0,1]=4 7094 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,1,0,0,0,0|2,0,1]=4 7095 B10R0.74 CNCCCOCC(O)CO 34a_100000213112_100011219619 [0,1,0,0,0,0|2,0,0]=3 7096 B10R0.74 CNCCCOC[C@@H](C)CO 34a_100000213112_100000059175 [0,1,0,0,0,0|2,0,0]=3 7097 B10R0.74 CNCCCOC[C@@H](O)CF 34a_100000213112_100015614560 [0,1,0,0,0,0|3,0,0]=4 7098 B10R0.74 CNCCCOC[C@@H](O)CO 34a_100000213112_100009815848 [0,1,0,0,0,0|2,0,0]=3 7099 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,1,0,0,0,0|2,0,1]=4 7100 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,1,0,0,0,0|2,0,1]=4 7101 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,1,0,0,0,0|2,0,1]=4 7102 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,1,0,0,0,0|2,0,1]=4 7103 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,1,0,0,0,0|2,0,1]=4 7104 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,1,0,0,0,0|2,0,1]=4 7105 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,1,0,0,0,0|2,0,1]=4 7106 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,1,0,0,0,0|2,0,1]=4 7107 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,1,0,0,0,0|2,0,1]=4 7108 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,1,0,0,0,0|2,0,1]=4 7109 B10R0.74 COC(C)CCOCCCF 7a_100000764861_100011934791 [0,1,0,0,0,0|3,0,0]=4 7110 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [0,1,0,0,0,0|2,0,0]=3 7111 B10R0.74 COC(C)COCCCCF 34a_100000690652_100000729493 [0,1,0,0,0,0|3,0,0]=4 7112 B10R0.74 COC(C)COCCCCO 34a_100000690652_100011216708 [0,1,0,0,0,0|2,0,0]=3 7113 B10R0.74 COC(C)SCCCCCF 62a_100000729378_100009879195 [0,1,0,0,0,0|3,0,0]=4 7114 B10R0.74 COC(C)SCCCCCF 62a_100009879195_100000729378 [0,1,0,0,0,0|3,0,0]=4 7115 B10R0.74 COC(C)SCCCCCO 62a_100000746330_100009879195 [0,1,0,0,0,0|2,0,0]=3 7116 B10R0.74 COC(C)SCCCCCO 62a_100009879195_100000746330 [0,1,0,0,0,0|2,0,0]=3 7117 B10R0.74 COC(C)SCCOCCO 62a_100009879195_100011215305 [0,1,0,0,0,0|3,0,0]=4 7118 B10R0.74 COC(C)SCCOCCO 62a_100011215305_100009879195 [0,1,0,0,0,0|3,0,0]=4 7119 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,1,0,0,0,0|2,0,1]=4 7120 B10R0.74 COCCCCN[C@H](C)CO 2230a_100000737577_100000730899 [0,1,0,0,0,0|2,0,0]=3 7121 B10R0.74 COCCCCOC(C)CF 34a_100016041109_100000755781 [0,1,0,0,0,0|3,0,0]=4 7122 B10R0.74 COCCCCOC(C)CF 7a_100016041109_100000730899 [0,1,0,0,0,0|3,0,0]=4 7123 B10R0.74 COCCCCOC(C)CN 34a_100000210904_100000755781 [0,1,0,0,0,0|3,0,0]=4 7124 B10R0.74 COCCCCOC(C)CO 34a_100000740925_100012180447 [0,1,0,0,0,0|2,0,0]=3 7125 B10R0.74 COCCCCSC(C)CO 62a_100012180447_100000730899 [0,1,0,0,0,0|2,0,0]=3 7126 B10R0.74 COCCCCS[C@H](C)CO 62a_100000730899_100016084084 [0,1,0,0,0,0|2,0,0]=3 7127 B10R0.74 COCCCCS[C@H](C)CO 62a_100016084084_100000730899 [0,1,0,0,0,0|2,0,0]=3 7128 B10R0.74 COCCCNCC(C)CO 34a_100000744482_100000740836 [0,1,0,0,0,0|2,0,0]=3 7129 B10R0.74 COCCCNCC(O)CO 34a_100150723488_100011219619 [0,1,0,0,0,0|2,0,0]=3 7130 B10R0.74 COCCCNC[C@@H](C)CO 34a_100150723488_100000059175 [0,1,0,0,0,0|2,0,0]=3 7131 B10R0.74 COCCCNC[C@@H](F)CO 34a_100015665980_100000740836 [0,1,0,0,0,0|2,0,0]=3 7132 B10R0.74 COCCCNC[C@@H](O)CF 34a_100150723488_100015614560 [0,1,0,0,0,0|3,0,0]=4 7133 B10R0.74 COCCCNC[C@@H](O)CO 34a_100150723488_100009815848 [0,1,0,0,0,0|2,0,0]=3 7134 B10R0.74 COCCCNC[C@H](O)CO 2230a_100020644852_100000740836 [0,1,0,0,0,0|2,0,0]=3 7135 B10R0.74 COCCCOCC(C)CN 34a_100000744482_100000740836 [0,1,0,0,0,0|3,0,0]=4 7136 B10R0.74 COCCCOCC(Cl)CCl 34a_100000033668_100000740836 [0,1,0,0,0,0|3,0,0]=4 7137 B10R0.74 COCCCOCC(O)CO 34a_100000740835_100011219619 [0,1,0,0,0,0|2,0,0]=3 7138 B10R0.74 COCCCOC[C@@H](C)CO 34a_100000740835_100000059175 [0,1,0,0,0,0|2,0,0]=3 7139 B10R0.74 COCCCOC[C@@H](O)CF 34a_100000740835_100015614560 [0,1,0,0,0,0|3,0,0]=4 7140 B10R0.74 COCCCOC[C@@H](O)CO 34a_100000740835_100009815848 [0,1,0,0,0,0|2,0,0]=3 7141 B10R0.74 COCCCOC[C@H](F)CN 34a_100015665980_100000740836 [0,1,0,0,0,0|3,0,0]=4 7142 B10R0.74 COCCCSCC(O)CO 62a_100000709357_100011219619 [0,1,0,0,0,0|2,0,0]=3 7143 B10R0.74 COCCCSCC(O)CO 62a_100011219619_100000709357 [0,1,0,0,0,0|2,0,0]=3 7144 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000059175_100000709357 [0,1,0,0,0,0|2,0,0]=3 7145 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000709357_100000059175 [0,1,0,0,0,0|2,0,0]=3 7146 B10R0.74 COCCCSC[C@@H](O)CF 62a_100000709357_100015614560 [0,1,0,0,0,0|3,0,0]=4 7147 B10R0.74 COCCCSC[C@@H](O)CF 62a_100015614560_100000709357 [0,1,0,0,0,0|3,0,0]=4 7148 B10R0.74 COCCCSC[C@@H](O)CO 62a_100000709357_100009815848 [0,1,0,0,0,0|2,0,0]=3 7149 B10R0.74 COCCCSC[C@@H](O)CO 62a_100009815848_100000709357 [0,1,0,0,0,0|2,0,0]=3 7150 B10R0.74 COCCNCCC(C)CO 2230a_106354213184_100011201679 [0,1,0,0,0,0|2,0,0]=3 7151 B10R0.74 COCCNCCC(C)CO 34a_106354213184_100011201679 [0,1,0,0,0,0|2,0,0]=3 7152 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,1,0,0,0,0|2,0,1]=4 7153 B10R0.74 COCCOCN[C@H](C)CO 2230a_100000737577_100000231047 [0,1,0,0,0,0|3,0,0]=4 7154 B10R0.74 COCCOCSC(C)CO 62a_100012180447_100000231047 [0,1,0,0,0,0|3,0,0]=4 7155 B10R0.74 COCCOCS[C@H](C)CO 62a_100000231047_100016084084 [0,1,0,0,0,0|3,0,0]=4 7156 B10R0.74 COCCOCS[C@H](C)CO 62a_100016084084_100000231047 [0,1,0,0,0,0|3,0,0]=4 7157 B10R0.74 CO[C@H](C)CNCCCCF 2230a_100020591295_100000729493 [0,1,0,0,0,0|3,0,0]=4 7158 B10R0.74 CO[C@H](C)CNCCCCO 2230a_100020591295_100000210776 [0,1,0,0,0,0|2,0,0]=3 7159 B10R0.74 CSCCCCOC(C)CO 34a_100011217163_100012180447 [0,1,0,0,0,0|2,0,0]=3 7160 B10R0.74 CSCCCCOC(C)CO 7a_100011217163_100012180447 [0,1,0,0,0,0|2,0,0]=3 7161 B10R0.74 CSCCCNCC(O)CO 2230a_100000749238_100011219619 [0,1,0,0,0,0|2,0,0]=3 7162 B10R0.74 CSCCCNC[C@@H](C)CO 2230a_100000749238_100000059175 [0,1,0,0,0,0|2,0,0]=3 7163 B10R0.74 CSCCCNC[C@@H](O)CF 2230a_100000749238_100015614560 [0,1,0,0,0,0|3,0,0]=4 7164 B10R0.74 CSCCCNC[C@@H](O)CO 2230a_100000749238_100009815848 [0,1,0,0,0,0|2,0,0]=3 7165 B10R0.74 CSCCCOCC(O)CO 34a_100000690336_100011219619 [0,1,0,0,0,0|2,0,0]=3 7166 B10R0.74 CSCCCOCC(O)CO 7a_100000690336_100011219619 [0,1,0,0,0,0|2,0,0]=3 7167 B10R0.74 CSCCCOC[C@@H](C)CO 34a_100000690336_100000059175 [0,1,0,0,0,0|2,0,0]=3 7168 B10R0.74 CSCCCOC[C@@H](C)CO 7a_100000690336_100000059175 [0,1,0,0,0,0|2,0,0]=3 7169 B10R0.74 CSCCCOC[C@@H](O)CF 34a_100000690336_100015614560 [0,1,0,0,0,0|3,0,0]=4 7170 B10R0.74 CSCCCOC[C@@H](O)CF 7a_100000690336_100015614560 [0,1,0,0,0,0|3,0,0]=4 7171 B10R0.74 CSCCCOC[C@@H](O)CO 34a_100000690336_100009815848 [0,1,0,0,0,0|2,0,0]=3 7172 B10R0.74 CSCCCOC[C@@H](O)CO 7a_100000690336_100009815848 [0,1,0,0,0,0|2,0,0]=3 7173 B10R0.74 CSCCNCCC(C)CO 2230a_106354213184_100000751147 [0,1,0,0,0,0|2,0,0]=3 7174 B10R0.74 CSCCNCCC(C)CO 34a_106354213184_100000212216 [0,1,0,0,0,0|2,0,0]=3 7175 B10R0.74 CSCOCCC[C@@H](C)CN 34a_100160569302_100011218213 [0,1,0,0,0,0|3,0,0]=4 7176 B10R0.74 C[C@@H](CN)CCCOCCF 34a_100160569302_100011217306 [0,1,0,0,0,0|3,0,0]=4 7177 B10R0.74 C[C@@H](CN)CCCOCCO 34a_100160569302_100000211926 [0,1,0,0,0,0|2,0,0]=3 7178 B10R0.74 C[C@@H](CO)CNCCCCO 2230a_100000750430_100000059175 [0,1,0,0,0,0|2,0,0]=3 7179 B10R0.74 C[C@@H](CO)CNCCCCO 34a_100000750430_100000059175 [0,1,0,0,0,0|2,0,0]=3 7180 B10R0.74 C[C@@H](CO)COCCCCBr 34a_100011216708_100000059175 [0,1,0,0,0,0|2,0,0]=3 7181 B10R0.74 C[C@@H](CO)COCCCCCl 34a_100000210776_100000059175 [0,1,0,0,0,0|2,0,0]=3 7182 B10R0.74 C[C@@H](CO)COCCCCCl 7a_100000210776_100000059175 [0,1,0,0,0,0|2,0,0]=3 7183 B10R0.74 C[C@@H](CO)COCCCCF 34a_100011995726_100000059175 [0,1,0,0,0,0|2,0,0]=3 7184 B10R0.74 C[C@@H](CO)COCCCCF 7a_100011995726_100000059175 [0,1,0,0,0,0|2,0,0]=3 7185 B10R0.74 C[C@@H](CO)COCCCCI 34a_200012148704_100000059175 [0,1,0,0,0,0|2,0,0]=3 7186 B10R0.74 C[C@@H](CO)COCCCCN 34a_100000750430_100000059175 [0,1,0,0,0,0|2,0,0]=3 7187 B10R0.74 C[C@@H](CO)CSCCCC#N 62a_100000059175_100000687738 [0,1,0,0,0,0|2,0,1]=4 7188 B10R0.74 C[C@@H](CO)CSCCCC#N 62a_100000687738_100000059175 [0,1,0,0,0,0|2,0,1]=4 7189 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_100000059175_200011292268 [0,1,0,0,0,0|2,0,1]=4 7190 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_200011292268_100000059175 [0,1,0,0,0,0|2,0,1]=4 7191 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000059175_100000729493 [0,1,0,0,0,0|2,0,0]=3 7192 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000729493_100000059175 [0,1,0,0,0,0|2,0,0]=3 7193 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000059175_100000210776 [0,1,0,0,0,0|2,0,0]=3 7194 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000210776_100000059175 [0,1,0,0,0,0|2,0,0]=3 7195 B10R0.74 C[C@H](CO)NCCCCC#N 2230a_100000737577_100000211819 [0,1,0,0,0,0|2,0,1]=4 7196 B10R0.74 C[C@H](CO)NCCCCC=O 2230a_100000737577_100000139335 [0,1,0,0,0,0|2,0,1]=4 7197 B10R0.74 C[C@H](CO)NCCCCCF 2230a_100000737577_100000729378 [0,1,0,0,0,0|2,0,0]=3 7198 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [0,1,0,0,0,0|2,0,0]=3 7199 B10R0.74 C[C@H](CO)NCCOCCO 2230a_100000737577_100011215305 [0,1,0,0,0,0|3,0,0]=4 7200 B10R0.74 C[C@H](CO)SCCCCC#N 62a_100011219923_100016084084 [0,1,0,0,0,0|2,0,1]=4 7201 B10R0.74 C[C@H](CO)SCCCCC#N 62a_100016084084_100000211819 [0,1,0,0,0,0|2,0,1]=4 7202 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100000139335_100016084084 [0,1,0,0,0,0|2,0,1]=4 7203 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100016084084_100000139335 [0,1,0,0,0,0|2,0,1]=4 7204 B10R0.74 C[C@H](CO)SCCCCCF 62a_100000729378_100016084084 [0,1,0,0,0,0|2,0,0]=3 7205 B10R0.74 C[C@H](CO)SCCCCCF 62a_100016084084_100000729378 [0,1,0,0,0,0|2,0,0]=3 7206 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [0,1,0,0,0,0|2,0,0]=3 7207 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [0,1,0,0,0,0|2,0,0]=3 7208 B10R0.74 C[C@H](CO)SCCOCCO 62a_100011215305_100016084084 [0,1,0,0,0,0|3,0,0]=4 7209 B10R0.74 C[C@H](CO)SCCOCCO 62a_100016084084_100011215305 [0,1,0,0,0,0|3,0,0]=4 7210 B10R0.74 FCCCCOCC(Cl)CCl 34a_100000033668_100000729493 [0,1,0,0,0,0|3,0,0]=4 7211 B10R0.74 N#CC(F)SCCCCCO 62a_100000746330_200000117898 [0,1,0,0,0,0|2,0,1]=4 7212 B10R0.74 N#CC(F)SCCCCCO 62a_200000117898_100000746330 [0,1,0,0,0,0|2,0,1]=4 7213 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,1,0,0,0,0|1,0,2]=4 7214 B10R0.74 N#CCCCNC[C@H](O)CO 2230a_100020644852_100000687738 [0,1,0,0,0,0|2,0,1]=4 7215 B10R0.74 N#CCCCSCC(O)CO 62a_100000687738_100011219619 [0,1,0,0,0,0|2,0,1]=4 7216 B10R0.74 N#CCCCSCC(O)CO 62a_100011219619_100000687738 [0,1,0,0,0,0|2,0,1]=4 7217 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100000687738_100009815848 [0,1,0,0,0,0|2,0,1]=4 7218 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100009815848_100000687738 [0,1,0,0,0,0|2,0,1]=4 7219 B10R0.74 NCCCCOCC(O)CO 34a_100000750430_100011219619 [0,1,0,0,0,0|2,0,0]=3 7220 B10R0.74 NCCCCOC[C@@H](O)CF 34a_100000750430_100015614560 [0,1,0,0,0,0|3,0,0]=4 7221 B10R0.74 NCCCCOC[C@@H](O)CO 34a_100000750430_100009815848 [0,1,0,0,0,0|2,0,0]=3 7222 B10R0.74 NC[C@@H](F)COCCCCF 34a_100015665980_100000729493 [0,1,0,0,0,0|3,0,0]=4 7223 B10R0.74 NC[C@@H](F)COCCCCO 34a_100015665980_100011216708 [0,1,0,0,0,0|2,0,0]=3 7224 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,1,0,0,0,0|1,0,1]=3 7225 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,1,0,0,0,0|1,0,1]=3 7226 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,1,0,0,0,0|1,0,1]=3 7227 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,1,0,0,0,0|2,0,1]=4 7228 B10R0.74 O=CCCCNC[C@H](O)CO 2230a_100020644852_200011292268 [0,1,0,0,0,0|2,0,1]=4 7229 B10R0.74 O=CCCCSCC(O)CO 62a_100011219619_200011292268 [0,1,0,0,0,0|2,0,1]=4 7230 B10R0.74 O=CCCCSCC(O)CO 62a_200011292268_100011219619 [0,1,0,0,0,0|2,0,1]=4 7231 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_100009815848_200011292268 [0,1,0,0,0,0|2,0,1]=4 7232 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_200011292268_100009815848 [0,1,0,0,0,0|2,0,1]=4 7233 B10R0.74 OCC(O)COCCCCBr 34a_100011216708_100011219619 [0,1,0,0,0,0|2,0,0]=3 7234 B10R0.74 OCC(O)COCCCCCl 34a_100000210776_100011219619 [0,1,0,0,0,0|2,0,0]=3 7235 B10R0.74 OCC(O)COCCCCCl 7a_100000210776_100011219619 [0,1,0,0,0,0|2,0,0]=3 7236 B10R0.74 OCC(O)COCCCCF 34a_100011995726_100011219619 [0,1,0,0,0,0|2,0,0]=3 7237 B10R0.74 OCC(O)COCCCCF 7a_100011995726_100011219619 [0,1,0,0,0,0|2,0,0]=3 7238 B10R0.74 OCC(O)COCCCCI 34a_200012148704_100011219619 [0,1,0,0,0,0|2,0,0]=3 7239 B10R0.74 OCC(O)CSCCCCF 62a_100000729493_100011219619 [0,1,0,0,0,0|2,0,0]=3 7240 B10R0.74 OCC(O)CSCCCCF 62a_100011219619_100000729493 [0,1,0,0,0,0|2,0,0]=3 7241 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [0,1,0,0,0,0|2,0,0]=3 7242 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [0,1,0,0,0,0|2,0,0]=3 7243 B10R0.74 OCCCCNC[C@@H](F)CO 34a_100015665980_100011216708 [0,1,0,0,0,0|2,0,0]=3 7244 B10R0.74 OCCCCNC[C@@H](O)CF 2230a_100000750430_100015614560 [0,1,0,0,0,0|2,0,0]=3 7245 B10R0.74 OCCCCNC[C@@H](O)CF 34a_100000750430_100015614560 [0,1,0,0,0,0|2,0,0]=3 7246 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [0,1,0,0,0,0|2,0,0]=3 7247 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [0,1,0,0,0,0|2,0,0]=3 7248 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [0,1,0,0,0,0|2,0,0]=3 7249 B10R0.74 OCCCCOCC(Cl)CCl 34a_100000033668_100011216708 [0,1,0,0,0,0|2,0,0]=3 7250 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [0,1,0,0,0,0|2,0,0]=3 7251 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [0,1,0,0,0,0|2,0,0]=3 7252 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100000210776_100015614560 [0,1,0,0,0,0|2,0,0]=3 7253 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100015614560_100000210776 [0,1,0,0,0,0|2,0,0]=3 7254 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [0,1,0,0,0,0|2,0,0]=3 7255 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [0,1,0,0,0,0|2,0,0]=3 7256 B10R0.74 OC[C@@H](O)CNCCCCF 2230a_100020644852_100000729493 [0,1,0,0,0,0|2,0,0]=3 7257 B10R0.74 OC[C@H](F)CNCCCCF 34a_100015665980_100000729493 [0,1,0,0,0,0|2,0,0]=3 7258 B10R0.74 OC[C@H](O)COCCCCBr 34a_100011216708_100009815848 [0,1,0,0,0,0|2,0,0]=3 7259 B10R0.74 OC[C@H](O)COCCCCCl 34a_100000210776_100009815848 [0,1,0,0,0,0|2,0,0]=3 7260 B10R0.74 OC[C@H](O)COCCCCCl 7a_100000210776_100009815848 [0,1,0,0,0,0|2,0,0]=3 7261 B10R0.74 OC[C@H](O)COCCCCF 34a_100011995726_100009815848 [0,1,0,0,0,0|2,0,0]=3 7262 B10R0.74 OC[C@H](O)COCCCCF 7a_100011995726_100009815848 [0,1,0,0,0,0|2,0,0]=3 7263 B10R0.74 OC[C@H](O)COCCCCI 34a_200012148704_100009815848 [0,1,0,0,0,0|2,0,0]=3 7264 B10R0.74 OC[C@H](O)CSCCCCF 62a_100000729493_100009815848 [0,1,0,0,0,0|2,0,0]=3 7265 B10R0.74 OC[C@H](O)CSCCCCF 62a_100009815848_100000729493 [0,1,0,0,0,0|2,0,0]=3 7266 B10R0.74 O[C@@H](CF)COCCCCBr 34a_100011216708_100015614560 [0,1,0,0,0,0|3,0,0]=4 7267 B10R0.74 O[C@@H](CF)COCCCCCl 34a_100000210776_100015614560 [0,1,0,0,0,0|3,0,0]=4 7268 B10R0.74 O[C@@H](CF)COCCCCCl 7a_100000210776_100015614560 [0,1,0,0,0,0|3,0,0]=4 7269 B10R0.74 O[C@@H](CF)COCCCCF 34a_100011995726_100015614560 [0,1,0,0,0,0|3,0,0]=4 7270 B10R0.74 O[C@@H](CF)COCCCCF 7a_100011995726_100015614560 [0,1,0,0,0,0|3,0,0]=4 7271 B10R0.74 O[C@@H](CF)COCCCCI 34a_200012148704_100015614560 [0,1,0,0,0,0|3,0,0]=4 7272 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100000729493_100015614560 [0,1,0,0,0,0|3,0,0]=4 7273 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100015614560_100000729493 [0,1,0,0,0,0|3,0,0]=4 7274 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,1,0,0,0,0|1,0,2]=4 7275 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,1,0,0,0,0|1,0,2]=4 7276 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000692101_100000210776 [0,1,0,0,0,0|0,0,3]=4 7277 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000695505_100000753159 [0,1,0,0,0,0|0,0,3]=4 7278 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [0,1,0,0,0,0|1,0,2]=4 7279 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [0,1,0,0,0,0|1,0,2]=4 7280 B10R0.91 C#CCCCC(=O)CCCO 1458a_100000690238_100011215043 [0,1,0,0,0,0|0,0,3]=4 7281 B10R0.91 C#CCCCN(C)CCCC 2230a_100000207549_100000731252 [0,1,0,0,0,0|2,0,1]=4 7282 B10R0.91 C#CCCCN(C)CCCC 269982a_100000207549_100011215417 [0,1,0,0,0,0|2,0,1]=4 7283 B10R0.91 C#CCCCN(C)CCCO 2230a_100000213112_100000731252 [0,1,0,0,0,0|1,0,2]=4 7284 B10R0.91 C#CCCCN(C)CCCO 269982a_100000213112_100011215417 [0,1,0,0,0,0|1,0,2]=4 7285 B10R0.91 C#CCCN(C)CCCCC 2230a_100000223495_100000688953 [0,1,0,0,0,0|2,0,1]=4 7286 B10R0.91 C#CCCN(C)CCCCC 269982a_100000223495_100000730999 [0,1,0,0,0,0|2,0,1]=4 7287 B10R0.91 C#CCCN(C)CCCCO 2230a_100000717598_100000688953 [0,1,0,0,0,0|1,0,2]=4 7288 B10R0.91 C#CCCN(C)CCCCO 269982a_100000717598_100000730999 [0,1,0,0,0,0|1,0,2]=4 7289 B10R0.91 C#CCCNC(C)CCCC 2230a_100000126638_100000688953 [0,1,0,0,0,0|2,0,1]=4 7290 B10R0.91 C#CCCNC(C)CCCC 34a_100000755551_200011215066 [0,1,0,0,0,0|2,0,1]=4 7291 B10R0.91 C#CCCOC(C)CCCC 34a_100000687866_100000688953 [0,1,0,0,0,0|2,0,1]=4 7292 B10R0.91 C#CCCOC(C)CCCC 34a_100011215631_200011215066 [0,1,0,0,0,0|2,0,1]=4 7293 B10R0.91 C#CCCOC(C)CCCC 7a_100000687866_100000688953 [0,1,0,0,0,0|2,0,1]=4 7294 B10R0.91 C#CCCSC(C)CCCC 62a_100000688953_200011215066 [0,1,0,0,0,0|2,0,1]=4 7295 B10R0.91 C#CCCSC(C)CCCC 62a_200011215066_100000688953 [0,1,0,0,0,0|2,0,1]=4 7296 B10R0.91 C#CCNC(C)CCCCC 2230a_100000211957_100000038162 [0,1,0,0,0,0|2,0,1]=4 7297 B10R0.91 C#CCNC(C)CCCCC 34a_100000212058_200011218191 [0,1,0,0,0,0|2,0,1]=4 7298 B10R0.91 C#CCNC[C@H](C)CCCO 2230a_100160569302_100000038162 [0,1,0,0,0,0|1,0,2]=4 7299 B10R0.91 C#CCNC[C@H](C)CCCO 34a_100160569302_100000184674 [0,1,0,0,0,0|1,0,2]=4 7300 B10R0.91 C#CCOC(C)CCCCC 34a_100000210247_200011218191 [0,1,0,0,0,0|2,0,1]=4 7301 B10R0.91 C#CCOC(C)CCCCC 34a_100011215632_100000184674 [0,1,0,0,0,0|2,0,1]=4 7302 B10R0.91 C#CCOC(C)CCCCC 7a_100011215632_100000038162 [0,1,0,0,0,0|2,0,1]=4 7303 B10R0.91 C#CCOCC(C)CCCC 34a_100011995851_100000184674 [0,1,0,0,0,0|2,0,1]=4 7304 B10R0.91 C#CCOCC(C)CCCC 7a_100011995851_100000038162 [0,1,0,0,0,0|2,0,1]=4 7305 B10R0.91 C#CCOC[C@@H](N)CCCC 34a_100011934283_100000184674 [0,1,0,0,0,0|2,0,1]=4 7306 B10R0.91 C#CCSC(C)CCCCC 62a_100000038162_200011218191 [0,1,0,0,0,0|2,0,1]=4 7307 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [0,1,0,0,0,0|0,0,3]=4 7308 B10R0.91 C/C=C/CN(C)CCCCO 269982a_100000717598_100102629194 [0,1,0,0,0,0|1,0,2]=4 7309 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,1,0,0,0,0|1,0,2]=4 7310 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,1,0,0,0,0|1,0,2]=4 7311 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [0,1,0,0,0,0|0,0,3]=4 7312 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [0,1,0,0,0,0|0,0,3]=4 7313 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [0,1,0,0,0,0|2,0,1]=4 7314 B10R0.91 C=CCCC(C)NCCCO 270004a_100000182051_100000762624 [0,1,0,0,0,0|1,0,2]=4 7315 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [0,1,0,0,0,0|2,0,1]=4 7316 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [0,1,0,0,0,0|2,0,1]=4 7317 B10R0.91 C=CCCC(C)OCCCO 34a_100000765329_100000230001 [0,1,0,0,0,0|1,0,2]=4 7318 B10R0.91 C=CCCC(C)OCCCO 7a_100000765329_100011215043 [0,1,0,0,0,0|1,0,2]=4 7319 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,1,0,0,0,0|1,0,2]=4 7320 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,1,0,0,0,0|1,0,2]=4 7321 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [0,1,0,0,0,0|0,0,3]=4 7322 B10R0.91 C=CCCCN(C)CCCC 2230a_100000207549_100011713584 [0,1,0,0,0,0|2,0,1]=4 7323 B10R0.91 C=CCCCN(C)CCCC 269982a_100000207549_100000757094 [0,1,0,0,0,0|2,0,1]=4 7324 B10R0.91 C=CCCCN(C)CCCO 2230a_100000213112_100011713584 [0,1,0,0,0,0|1,0,2]=4 7325 B10R0.91 C=CCCCN(C)CCCO 269982a_100000213112_100000757094 [0,1,0,0,0,0|1,0,2]=4 7326 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [0,1,0,0,0,0|2,0,1]=4 7327 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [0,1,0,0,0,0|2,0,1]=4 7328 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [0,1,0,0,0,0|2,0,1]=4 7329 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [0,1,0,0,0,0|2,0,1]=4 7330 B10R0.91 C=CCCN(C)CCCCO 2230a_100000717598_100000754431 [0,1,0,0,0,0|1,0,2]=4 7331 B10R0.91 C=CCCN(C)CCCCO 2230a_100020639649_100000210776 [0,1,0,0,0,0|1,0,2]=4 7332 B10R0.91 C=CCCN(C)CCCCO 269982a_100000717598_100000754431 [0,1,0,0,0,0|1,0,2]=4 7333 B10R0.91 C=CCCN(C)CCCCO 269982a_100020639649_100000210776 [0,1,0,0,0,0|1,0,2]=4 7334 B10R0.91 C=CCCNC(C)CCCC 2230a_100000126638_100000754431 [0,1,0,0,0,0|2,0,1]=4 7335 B10R0.91 C=CCCNC(C)CCCC 2230a_100015191253_200011215066 [0,1,0,0,0,0|2,0,1]=4 7336 B10R0.91 C=CCCNC(C)CCCC 270004a_100015191253_100000210087 [0,1,0,0,0,0|2,0,1]=4 7337 B10R0.91 C=CCCOC(C)CCCC 34a_100000687866_100000754431 [0,1,0,0,0,0|2,0,1]=4 7338 B10R0.91 C=CCCOC(C)CCCC 34a_100011205117_200011215066 [0,1,0,0,0,0|2,0,1]=4 7339 B10R0.91 C=CCCOC(C)CCCC 7a_100000687866_100000754431 [0,1,0,0,0,0|2,0,1]=4 7340 B10R0.91 C=CCCSC(C)CCCC 62a_100000754431_200011215066 [0,1,0,0,0,0|2,0,1]=4 7341 B10R0.91 C=CCCSC(C)CCCC 62a_200011215066_100000754431 [0,1,0,0,0,0|2,0,1]=4 7342 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [0,1,0,0,0,0|2,0,1]=4 7343 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [0,1,0,0,0,0|2,0,1]=4 7344 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [0,1,0,0,0,0|2,0,1]=4 7345 B10R0.91 C=CCNC[C@H](C)CCCO 2230a_100160569302_100000210623 [0,1,0,0,0,0|1,0,2]=4 7346 B10R0.91 C=CCNC[C@H](C)CCCO 34a_100160569302_100015514636 [0,1,0,0,0,0|1,0,2]=4 7347 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,1,0,0,0,0|2,0,1]=4 7348 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,1,0,0,0,0|2,0,1]=4 7349 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,1,0,0,0,0|2,0,1]=4 7350 B10R0.91 C=CCOCC(C)CCCC 34a_100011995851_100015514636 [0,1,0,0,0,0|2,0,1]=4 7351 B10R0.91 C=CCOCC(C)CCCC 7a_100011995851_100015514636 [0,1,0,0,0,0|2,0,1]=4 7352 B10R0.91 C=CCOC[C@@H](N)CCCC 34a_100011934283_100015514636 [0,1,0,0,0,0|2,0,1]=4 7353 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [0,1,0,0,0,0|2,0,1]=4 7354 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [0,1,0,0,0,0|2,0,1]=4 7355 B10R0.91 CC#CCC(=O)CCCCO 1458a_100000695505_100000748600 [0,1,0,0,0,0|0,0,3]=4 7356 B10R0.91 CC#CCN(C)CCCCO 2230a_100000717598_100000748600 [0,1,0,0,0,0|1,0,2]=4 7357 B10R0.91 CC(CCCC#N)NCCO 270004a_100000210304_200000032708 [0,1,0,0,0,0|2,0,1]=4 7358 B10R0.91 CC(CCCCl)OCCCF 34a_200000718107_100011934791 [0,1,0,0,0,0|3,0,0]=4 7359 B10R0.91 CC(CCCCl)OCCCF 7a_200000718107_100011934791 [0,1,0,0,0,0|3,0,0]=4 7360 B10R0.91 CC(CCCCl)OCCCO 34a_200000718107_100000230001 [0,1,0,0,0,0|2,0,0]=3 7361 B10R0.91 CC(CCCCl)OCCCO 7a_200000718107_100011215043 [0,1,0,0,0,0|2,0,0]=3 7362 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [0,1,0,0,0,0|0,0,3]=4 7363 B10R0.91 CC/C=C\CN(C)CCCO 2230a_100000213112_100103147603 [0,1,0,0,0,0|1,0,2]=4 7364 B10R0.91 CC/C=C\CN(C)CCCO 269982a_100000213112_100103147603 [0,1,0,0,0,0|1,0,2]=4 7365 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [0,1,0,0,0,0|0,0,3]=4 7366 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [0,1,0,0,0,0|0,0,3]=4 7367 B10R0.91 CC=CCN(C)CCCCO 2230a_100000717598_100000070051 [0,1,0,0,0,0|1,0,2]=4 7368 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [0,1,0,0,0,0|0,0,3]=4 7369 B10R0.91 CCC#CC(C)OCCCO 34a_100000033903_100000230001 [0,1,0,0,0,0|1,0,2]=4 7370 B10R0.91 CCC#CC(C)OCCCO 7a_100000033903_100011215043 [0,1,0,0,0,0|1,0,2]=4 7371 B10R0.91 CCC#CCC(C)OCCO 34a_200000035118_100000211926 [0,1,0,0,0,0|1,0,2]=4 7372 B10R0.91 CCC#CCC(C)OCCO 7a_200000035118_100000211926 [0,1,0,0,0,0|1,0,2]=4 7373 B10R0.91 CCC#CCN(C)CCCO 2230a_100000213112_100009813939 [0,1,0,0,0,0|1,0,2]=4 7374 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,1,0,0,0,0|0,0,3]=4 7375 B10R0.91 CCCC#CC(=O)CCCO 1458a_200011218047_100011215043 [0,1,0,0,0,0|0,0,3]=4 7376 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [0,1,0,0,0,0|0,0,3]=4 7377 B10R0.91 CCCCC(=NNCCO)C 4a_100000210001_100000210087 [0,1,0,0,0,0|2,0,1]=4 7378 B10R0.91 CCCCC(=O)CC#CCO 1458a_100000210183_200000047223 [0,1,0,0,0,0|0,0,3]=4 7379 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [0,1,0,0,0,0|1,0,2]=4 7380 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [0,1,0,0,0,0|1,0,2]=4 7381 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,1,0,0,0,0|1,0,1]=3 7382 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,1,0,0,0,0|0,0,1]=2 7383 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,1,0,0,0,0|0,0,1]=2 7384 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,1,0,0,0,0|2,0,1]=4 7385 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,1,0,0,0,0|2,0,1]=4 7386 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,1,0,0,0,0|2,0,1]=4 7387 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,1,0,0,0,0|2,0,1]=4 7388 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,1,0,0,0,0|2,0,1]=4 7389 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [0,1,0,0,0,0|2,0,1]=4 7390 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [0,1,0,0,0,0|2,0,1]=4 7391 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,1,0,0,0,0|2,0,1]=4 7392 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [0,1,0,0,0,0|1,0,1]=3 7393 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [0,1,0,0,0,0|2,0,1]=4 7394 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [0,1,0,0,0,0|2,0,1]=4 7395 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [0,1,0,0,0,0|2,0,1]=4 7396 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [0,1,0,0,0,0|2,0,1]=4 7397 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [0,1,0,0,0,0|2,0,1]=4 7398 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [0,1,0,0,0,0|1,0,1]=3 7399 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [0,1,0,0,0,0|1,0,1]=3 7400 B10R0.91 CCCCC(=O)NNCCO 22a_100000210001_100000210183 [0,1,0,0,0,0|2,0,1]=4 7401 B10R0.91 CCCCC(C)COCC#N 7a_100011995851_100011215382 [0,1,0,0,0,0|2,0,1]=4 7402 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [0,1,0,0,0,0|1,0,2]=4 7403 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [0,1,0,0,0,0|1,0,2]=4 7404 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [0,1,0,0,0,0|2,0,0]=3 7405 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [0,1,0,0,0,0|2,0,0]=3 7406 B10R0.91 CCCCC(C)COCCF 34a_100011995851_100011217306 [0,1,0,0,0,0|2,0,0]=3 7407 B10R0.91 CCCCC(C)COCCF 7a_100011995851_100011217306 [0,1,0,0,0,0|2,0,0]=3 7408 B10R0.91 CCCCC(C)COCCO 34a_100011995851_100000211926 [0,1,0,0,0,0|1,0,0]=2 7409 B10R0.91 CCCCC(C)COCCO 7a_100011995851_100000211926 [0,1,0,0,0,0|1,0,0]=2 7410 B10R0.91 CCCCC(C)COCSC 34a_100011995851_100011218213 [0,1,0,0,0,0|3,0,0]=4 7411 B10R0.91 CCCCC(C)NCCC#N 2230a_100000126638_100011215226 [0,1,0,0,0,0|2,0,1]=4 7412 B10R0.91 CCCCC(C)NCCC#N 270004a_100000720768_100000210087 [0,1,0,0,0,0|2,0,1]=4 7413 B10R0.91 CCCCC(C)NCCCF 2230a_100000126638_100011934791 [0,1,0,0,0,0|2,0,0]=3 7414 B10R0.91 CCCCC(C)NCCCF 2230a_100015189416_200011215066 [0,1,0,0,0,0|2,0,0]=3 7415 B10R0.91 CCCCC(C)NCCCF 270004a_100015189416_100000210087 [0,1,0,0,0,0|2,0,0]=3 7416 B10R0.91 CCCCC(C)NCCCF 34a_100015189416_200011215066 [0,1,0,0,0,0|2,0,0]=3 7417 B10R0.91 CCCCC(C)NCCCO 2230a_100000126638_100000230001 [0,1,0,0,0,0|1,0,0]=2 7418 B10R0.91 CCCCC(C)NCCCO 270004a_100000182051_100000210087 [0,1,0,0,0,0|1,0,0]=2 7419 B10R0.91 CCCCC(C)NCCOC 2230a_100000126638_100011201679 [0,1,0,0,0,0|3,0,0]=4 7420 B10R0.91 CCCCC(C)NCCOC 2230a_100000209980_200011215066 [0,1,0,0,0,0|3,0,0]=4 7421 B10R0.91 CCCCC(C)NCCOC 270004a_100000209980_100000210087 [0,1,0,0,0,0|3,0,0]=4 7422 B10R0.91 CCCCC(C)NCCSC 2230a_100000126638_100000751147 [0,1,0,0,0,0|3,0,0]=4 7423 B10R0.91 CCCCC(C)NCCSC 2230a_100020590264_200011215066 [0,1,0,0,0,0|3,0,0]=4 7424 B10R0.91 CCCCC(C)NCCSC 270004a_100020590264_100000210087 [0,1,0,0,0,0|3,0,0]=4 7425 B10R0.91 CCCCC(C)OCCC#N 7a_100000687866_100000184422 [0,1,0,0,0,0|2,0,1]=4 7426 B10R0.91 CCCCC(C)OCCCBr 34a_100011217188_200011215066 [0,1,0,0,0,0|2,0,0]=3 7427 B10R0.91 CCCCC(C)OCCCCl 34a_100000230001_200011215066 [0,1,0,0,0,0|2,0,0]=3 7428 B10R0.91 CCCCC(C)OCCCF 34a_100000687866_100011934791 [0,1,0,0,0,0|2,0,0]=3 7429 B10R0.91 CCCCC(C)OCCCF 34a_100000759539_200011215066 [0,1,0,0,0,0|2,0,0]=3 7430 B10R0.91 CCCCC(C)OCCCF 7a_100000687866_100011934791 [0,1,0,0,0,0|2,0,0]=3 7431 B10R0.91 CCCCC(C)OCCCN 34a_100000182051_200011215066 [0,1,0,0,0,0|2,0,0]=3 7432 B10R0.91 CCCCC(C)OCCCO 34a_100000687866_100000230001 [0,1,0,0,0,0|1,0,0]=2 7433 B10R0.91 CCCCC(C)OCCCO 7a_100000687866_100011215043 [0,1,0,0,0,0|1,0,0]=2 7434 B10R0.91 CCCCC(C)OCCOC 34a_100000210237_200011215066 [0,1,0,0,0,0|3,0,0]=4 7435 B10R0.91 CCCCC(C)OCCOC 34a_100000687866_100011201679 [0,1,0,0,0,0|3,0,0]=4 7436 B10R0.91 CCCCC(C)OCCOC 7a_100000687866_100000233755 [0,1,0,0,0,0|3,0,0]=4 7437 B10R0.91 CCCCC(C)OCCON 34a_100000700252_200011215066 [0,1,0,0,0,0|3,0,0]=4 7438 B10R0.91 CCCCC(C)OCCSC 34a_100000230434_200011215066 [0,1,0,0,0,0|3,0,0]=4 7439 B10R0.91 CCCCC(C)OCCSC 34a_100000687866_100000212216 [0,1,0,0,0,0|3,0,0]=4 7440 B10R0.91 CCCCC(C)OCCSC 7a_100000230434_200011215066 [0,1,0,0,0,0|3,0,0]=4 7441 B10R0.91 CCCCC(C)OCCSC 7a_100000687866_100000212216 [0,1,0,0,0,0|3,0,0]=4 7442 B10R0.91 CCCCC(C)SCCC#N 62a_100011215226_200011215066 [0,1,0,0,0,0|2,0,1]=4 7443 B10R0.91 CCCCC(C)SCCC#N 62a_200011215066_100011215226 [0,1,0,0,0,0|2,0,1]=4 7444 B10R0.91 CCCCC(C)SCCCF 62a_100011934791_200011215066 [0,1,0,0,0,0|2,0,0]=3 7445 B10R0.91 CCCCC(C)SCCCF 62a_200011215066_100011934791 [0,1,0,0,0,0|2,0,0]=3 7446 B10R0.91 CCCCC(C)SCCCO 62a_100011215043_200011215066 [0,1,0,0,0,0|1,0,0]=2 7447 B10R0.91 CCCCC(C)SCCCO 62a_200011215066_100011215043 [0,1,0,0,0,0|1,0,0]=2 7448 B10R0.91 CCCCC(C)SCCOC 62a_100000233755_200011215066 [0,1,0,0,0,0|3,0,0]=4 7449 B10R0.91 CCCCC(C)SCCOC 62a_200011215066_100000233755 [0,1,0,0,0,0|3,0,0]=4 7450 B10R0.91 CCCCC(C)SCCSC 62a_100000212216_200011215066 [0,1,0,0,0,0|3,0,0]=4 7451 B10R0.91 CCCCC(C)SCCSC 62a_200011215066_100000751147 [0,1,0,0,0,0|3,0,0]=4 7452 B10R0.91 CCCCC(C)SCOCC 62a_100000739092_200011215066 [0,1,0,0,0,0|3,0,0]=4 7453 B10R0.91 CCCCC(C)SCOCC 62a_200011215066_100000739092 [0,1,0,0,0,0|3,0,0]=4 7454 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [0,1,0,0,0,0|0,0,3]=4 7455 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,1,0,0,0,0|1,0,2]=4 7456 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,1,0,0,0,0|1,0,2]=4 7457 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,1,0,0,0,0|1,0,1]=3 7458 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,1,0,0,0,0|1,0,1]=3 7459 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,1,0,0,0,0|1,0,1]=3 7460 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,1,0,0,0,0|0,0,1]=2 7461 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,1,0,0,0,0|2,0,1]=4 7462 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,1,0,0,0,0|2,0,1]=4 7463 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,1,0,0,0,0|2,0,1]=4 7464 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,1,0,0,0,0|2,0,1]=4 7465 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,1,0,0,0,0|2,0,1]=4 7466 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,1,0,0,0,0|2,0,1]=4 7467 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,1,0,0,0,0|2,0,1]=4 7468 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,1,0,0,0,0|2,0,1]=4 7469 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,1,0,0,0,0|2,0,1]=4 7470 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,1,0,0,0,0|2,0,1]=4 7471 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,1,0,0,0,0|2,0,1]=4 7472 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,1,0,0,0,0|2,0,1]=4 7473 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,1,0,0,0,0|2,0,1]=4 7474 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,1,0,0,0,0|2,0,1]=4 7475 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,1,0,0,0,0|2,0,1]=4 7476 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,1,0,0,0,0|2,0,1]=4 7477 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,1,0,0,0,0|2,0,1]=4 7478 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,1,0,0,0,0|2,0,1]=4 7479 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,1,0,0,0,0|2,0,1]=4 7480 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,1,0,0,0,0|2,0,1]=4 7481 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,1,0,0,0,0|1,0,1]=3 7482 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,1,0,0,0,0|1,0,1]=3 7483 B10R0.91 CCCCCC(C)NCC#N 2230a_100000211957_100011215382 [0,1,0,0,0,0|2,0,1]=4 7484 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [0,1,0,0,0,0|1,0,2]=4 7485 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [0,1,0,0,0,0|2,0,0]=3 7486 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [0,1,0,0,0,0|2,0,0]=3 7487 B10R0.91 CCCCCC(C)NCCF 2230a_100000211957_100011217306 [0,1,0,0,0,0|2,0,0]=3 7488 B10R0.91 CCCCCC(C)NCCF 34a_100000724931_200011218191 [0,1,0,0,0,0|2,0,0]=3 7489 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [0,1,0,0,0,0|1,0,0]=2 7490 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [0,1,0,0,0,0|1,0,0]=2 7491 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [0,1,0,0,0,0|1,0,0]=2 7492 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [0,1,0,0,0,0|1,0,0]=2 7493 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [0,1,0,0,0,0|3,0,0]=4 7494 B10R0.91 CCCCCC(C)NCSC 2230a_100000211957_100011218213 [0,1,0,0,0,0|3,0,0]=4 7495 B10R0.91 CCCCCC(C)OCC#N 7a_100011215632_100011215382 [0,1,0,0,0,0|2,0,1]=4 7496 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,1,0,0,0,0|1,0,2]=4 7497 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,1,0,0,0,0|1,0,2]=4 7498 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [0,1,0,0,0,0|2,0,0]=3 7499 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,1,0,0,0,0|2,0,0]=3 7500 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,1,0,0,0,0|2,0,0]=3 7501 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,1,0,0,0,0|2,0,0]=3 7502 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [0,1,0,0,0,0|2,0,0]=3 7503 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [0,1,0,0,0,0|2,0,0]=3 7504 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [0,1,0,0,0,0|2,0,0]=3 7505 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,1,0,0,0,0|1,0,0]=2 7506 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,1,0,0,0,0|1,0,0]=2 7507 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [0,1,0,0,0,0|3,0,0]=4 7508 B10R0.91 CCCCCC(C)SCC#N 62a_100011215382_200011218191 [0,1,0,0,0,0|2,0,1]=4 7509 B10R0.91 CCCCCC(C)SCC#N 62a_200011218191_100011215382 [0,1,0,0,0,0|2,0,1]=4 7510 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [0,1,0,0,0,0|1,0,2]=4 7511 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [0,1,0,0,0,0|1,0,2]=4 7512 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [0,1,0,0,0,0|2,0,0]=3 7513 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [0,1,0,0,0,0|2,0,0]=3 7514 B10R0.91 CCCCCC(C)SCCF 62a_100011217306_200011218191 [0,1,0,0,0,0|2,0,0]=3 7515 B10R0.91 CCCCCC(C)SCCF 62a_200011218191_100011217306 [0,1,0,0,0,0|2,0,0]=3 7516 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [0,1,0,0,0,0|1,0,0]=2 7517 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [0,1,0,0,0,0|1,0,0]=2 7518 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [0,1,0,0,0,0|3,0,0]=4 7519 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [0,1,0,0,0,0|3,0,0]=4 7520 B10R0.91 CCCCCC(C)SCSC 62a_100011218213_200011218191 [0,1,0,0,0,0|3,0,0]=4 7521 B10R0.91 CCCCCC(C)SCSC 62a_200011218191_100011218213 [0,1,0,0,0,0|3,0,0]=4 7522 B10R0.91 CCCCCN(C)CCC#N 2230a_100000184479_100000210326 [0,1,0,0,0,0|2,0,1]=4 7523 B10R0.91 CCCCCN(C)CCC#N 2230a_100000223495_100011215226 [0,1,0,0,0,0|2,0,1]=4 7524 B10R0.91 CCCCCN(C)CCC#N 2230a_200000177445_200000210301 [0,1,0,0,0,0|2,0,1]=4 7525 B10R0.91 CCCCCN(C)CCC#N 269982a_100000223495_100011215226 [0,1,0,0,0,0|2,0,1]=4 7526 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [0,1,0,0,0,0|2,0,0]=3 7527 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [0,1,0,0,0,0|2,0,0]=3 7528 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [0,1,0,0,0,0|2,0,0]=3 7529 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [0,1,0,0,0,0|2,0,0]=3 7530 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [0,1,0,0,0,0|2,0,0]=3 7531 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [0,1,0,0,0,0|2,0,0]=3 7532 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [0,1,0,0,0,0|1,0,0]=2 7533 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [0,1,0,0,0,0|1,0,0]=2 7534 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [0,1,0,0,0,0|1,0,0]=2 7535 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [0,1,0,0,0,0|1,0,0]=2 7536 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [0,1,0,0,0,0|3,0,0]=4 7537 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [0,1,0,0,0,0|3,0,0]=4 7538 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [0,1,0,0,0,0|3,0,0]=4 7539 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [0,1,0,0,0,0|3,0,0]=4 7540 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [0,1,0,0,0,0|3,0,0]=4 7541 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [0,1,0,0,0,0|3,0,0]=4 7542 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [0,1,0,0,0,0|3,0,0]=4 7543 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [0,1,0,0,0,0|3,0,0]=4 7544 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [0,1,0,0,0,0|3,0,0]=4 7545 B10R0.91 CCCCCN([13CH3])CCC#N 2230a_200000177445_200025704644 [0,1,0,0,0,0|2,0,1]=4 7546 B10R0.91 CCCCN(C)CC#CCO 2230a_100000207549_200000047223 [0,1,0,0,0,0|1,0,2]=4 7547 B10R0.91 CCCCN(C)CCCC#N 2230a_100000207549_100000687738 [0,1,0,0,0,0|2,0,1]=4 7548 B10R0.91 CCCCN(C)CCCC#N 269982a_100000207549_100000687738 [0,1,0,0,0,0|2,0,1]=4 7549 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [0,1,0,0,0,0|1,0,2]=4 7550 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [0,1,0,0,0,0|1,0,2]=4 7551 B10R0.91 CCCCN(C)CCCCF 2230a_100000207549_100000729493 [0,1,0,0,0,0|2,0,0]=3 7552 B10R0.91 CCCCN(C)CCCCF 269982a_100000207549_100000729493 [0,1,0,0,0,0|2,0,0]=3 7553 B10R0.91 CCCCN(C)CCCCO 2230a_100000207549_100000210776 [0,1,0,0,0,0|1,0,0]=2 7554 B10R0.91 CCCCN(C)CCCCO 2230a_100000717598_100000210211 [0,1,0,0,0,0|1,0,0]=2 7555 B10R0.91 CCCCN(C)CCCCO 2230a_200011216965_200000210301 [0,1,0,0,0,0|1,0,0]=2 7556 B10R0.91 CCCCN(C)CCCCO 269982a_100000207549_100000210776 [0,1,0,0,0,0|1,0,0]=2 7557 B10R0.91 CCCCN(C)CCCCO 269982a_100000717598_100000210211 [0,1,0,0,0,0|1,0,0]=2 7558 B10R0.91 CCCCN(C)CCCCO 269982a_200011216965_200000210301 [0,1,0,0,0,0|1,0,0]=2 7559 B10R0.91 CCCCN(C)CCCOC 2230a_100000207549_100000740836 [0,1,0,0,0,0|3,0,0]=4 7560 B10R0.91 CCCCN(C)CCCOC 2230a_100000224831_100000210211 [0,1,0,0,0,0|3,0,0]=4 7561 B10R0.91 CCCCN(C)CCCOC 269982a_100000207549_100000740836 [0,1,0,0,0,0|3,0,0]=4 7562 B10R0.91 CCCCN(C)CCCOC 269982a_100000224831_100000210211 [0,1,0,0,0,0|3,0,0]=4 7563 B10R0.91 CCCCN(C)CCOCC 2230a_100000207549_100011215890 [0,1,0,0,0,0|3,0,0]=4 7564 B10R0.91 CCCCN(C)CCOCC 269982a_100000207549_100011215890 [0,1,0,0,0,0|3,0,0]=4 7565 B10R0.91 CCCCN(C)CCSCC 2230a_100000207549_100000757381 [0,1,0,0,0,0|3,0,0]=4 7566 B10R0.91 CCCCN(C)CCSCC 269982a_100000207549_100000757381 [0,1,0,0,0,0|3,0,0]=4 7567 B10R0.91 CCCCN([13CH3])CCCCO 2230a_200011216965_200025704644 [0,1,0,0,0,0|1,0,0]=2 7568 B10R0.91 CCCCN([13CH3])CCCCO 269982a_200011216965_200025704644 [0,1,0,0,0,0|1,0,0]=2 7569 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [0,1,0,0,0,0|2,0,1]=4 7570 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [0,1,0,0,0,0|2,0,1]=4 7571 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [0,1,0,0,0,0|2,0,1]=4 7572 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [0,1,0,0,0,0|2,0,1]=4 7573 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [0,1,0,0,0,0|2,0,1]=4 7574 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [0,1,0,0,0,0|2,0,1]=4 7575 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [0,1,0,0,0,0|2,0,1]=4 7576 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [0,1,0,0,0,0|2,0,1]=4 7577 B10R0.91 CCCCNC(C)CCCC 2230a_100000102301_200011215066 [0,1,0,0,0,0|2,0,0]=3 7578 B10R0.91 CCCCNC(C)CCCC 2230a_100000126638_100000210211 [0,1,0,0,0,0|2,0,0]=3 7579 B10R0.91 CCCCNC(C)CCCC 270004a_100000102301_100000210087 [0,1,0,0,0,0|2,0,0]=3 7580 B10R0.91 CCCCNC(C)CCCC 7a_106832991798_200011215066 [0,1,0,0,0,0|2,0,0]=3 7581 B10R0.91 CCCCNC(C)CCOC 270004a_100000102301_100000742357 [0,1,0,0,0,0|3,0,0]=4 7582 B10R0.91 CCCCNC(C)CCSC 270004a_100000102301_100011217047 [0,1,0,0,0,0|3,0,0]=4 7583 B10R0.91 CCCCNC(C)CSCC 270004a_100000102301_200011216171 [0,1,0,0,0,0|3,0,0]=4 7584 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [0,1,0,0,0,0|2,0,0]=3 7585 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [0,1,0,0,0,0|2,0,0]=3 7586 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [0,1,0,0,0,0|2,0,0]=3 7587 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [0,1,0,0,0,0|2,0,0]=3 7588 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [0,1,0,0,0,0|2,0,0]=3 7589 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [0,1,0,0,0,0|2,0,0]=3 7590 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [0,1,0,0,0,0|3,0,0]=4 7591 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [0,1,0,0,0,0|3,0,0]=4 7592 B10R0.91 CCCCSC(C)CCCC 62a_100000210211_200011215066 [0,1,0,0,0,0|2,0,0]=3 7593 B10R0.91 CCCCSC(C)CCCC 62a_200011215066_100000210210 [0,1,0,0,0,0|2,0,0]=3 7594 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [0,1,0,0,0,0|1,0,2]=4 7595 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [0,1,0,0,0,0|2,0,0]=3 7596 B10R0.91 CCCC[C@H](N)COCCF 34a_100011934283_100011217306 [0,1,0,0,0,0|2,0,0]=3 7597 B10R0.91 CCCC[C@H](N)COCCO 34a_100011934283_100000211926 [0,1,0,0,0,0|1,0,0]=2 7598 B10R0.91 CCCC[C@H](N)COCSC 34a_100011934283_100011218213 [0,1,0,0,0,0|3,0,0]=4 7599 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,1,0,0,0,0|1,0,1]=3 7600 B10R0.91 CCCNC(=O)CNCCO 2230a_100000174927_100000211926 [0,1,0,0,0,0|2,0,1]=4 7601 B10R0.91 CCCNC(=O)CNCCO 2230a_100016997473_100000183358 [0,1,0,0,0,0|2,0,1]=4 7602 B10R0.91 CCCNC(=O)CNCCO 34a_100016990907_100000183358 [0,1,0,0,0,0|2,0,1]=4 7603 B10R0.91 CCCNC(=O)COCCO 1626a_100020643023_100000708028 [0,1,0,0,0,0|2,0,1]=4 7604 B10R0.91 CCCNC(=O)COCCO 240690a_100020643023_100000708028 [0,1,0,0,0,0|2,0,1]=4 7605 B10R0.91 CCCNC(=O)CSCCO 62a_100000183358_100000211926 [0,1,0,0,0,0|2,0,1]=4 7606 B10R0.91 CCCNC(=O)CSCCO 62a_100000211926_100000183358 [0,1,0,0,0,0|2,0,1]=4 7607 B10R0.91 CCCNC(=O)NCCCO 2708a_100020643023_100000182051 [0,1,0,0,0,0|2,0,1]=4 7608 B10R0.91 CCCNC(=O)NCCCO 273464a_100000182051_100020643023 [0,1,0,0,0,0|2,0,1]=4 7609 B10R0.91 CCCNC(=O)NCCCO 273464a_100020643023_100000182051 [0,1,0,0,0,0|2,0,1]=4 7610 B10R0.91 CCCNC(=O)NCCCO 512a_100020643023_100000182051 [0,1,0,0,0,0|2,0,1]=4 7611 B10R0.91 CCCNC(C)CCCC#N 270004a_100020643023_200000032708 [0,1,0,0,0,0|2,0,1]=4 7612 B10R0.91 CCCNC(C)CCCSC 270004a_100020643023_100011399439 [0,1,0,0,0,0|3,0,0]=4 7613 B10R0.91 CCCNC(C)CCOCC 270004a_100020643023_200011216536 [0,1,0,0,0,0|3,0,0]=4 7614 B10R0.91 CCCNC(C)CSCCC 270004a_100020643023_100011343953 [0,1,0,0,0,0|3,0,0]=4 7615 B10R0.91 CCCNCC(C)OCCC 2230a_100015185124_100000210303 [0,1,0,0,0,0|3,0,0]=4 7616 B10R0.91 CCCNCC(C)OCCC 34a_100015185124_100000210303 [0,1,0,0,0,0|3,0,0]=4 7617 B10R0.91 CCCNCC(O)COCC 2230a_102515437182_100000210303 [0,1,0,0,0,0|3,0,0]=4 7618 B10R0.91 CCCNCC(O)COCC 34a_102515437182_100000210303 [0,1,0,0,0,0|3,0,0]=4 7619 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [0,1,0,0,0,0|1,0,0]=2 7620 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [0,1,0,0,0,0|1,0,0]=2 7621 B10R0.91 CCCNN=C(C)CCCO 4a_100000740057_100000759063 [0,1,0,0,0,0|2,0,1]=4 7622 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [0,1,0,0,0,0|2,0,1]=4 7623 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [0,1,0,0,0,0|2,0,1]=4 7624 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [0,1,0,0,0,0|2,0,1]=4 7625 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [0,1,0,0,0,0|2,0,1]=4 7626 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [0,1,0,0,0,0|3,0,0]=4 7627 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [0,1,0,0,0,0|3,0,0]=4 7628 B10R0.91 CCCOC(C)CNCCF 2230a_100015185124_100011217306 [0,1,0,0,0,0|3,0,0]=4 7629 B10R0.91 CCCOC(C)CNCCF 34a_100015185124_100011217306 [0,1,0,0,0,0|3,0,0]=4 7630 B10R0.91 CCCOC(C)CNCCO 2230a_100015185124_100000211926 [0,1,0,0,0,0|2,0,0]=3 7631 B10R0.91 CCCOC(C)CNCCO 34a_100015185124_100000211926 [0,1,0,0,0,0|2,0,0]=3 7632 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,1,0,0,0,0|2,0,1]=4 7633 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,1,0,0,0,0|1,0,1]=3 7634 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [0,1,0,0,0,0|2,0,1]=4 7635 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [0,1,0,0,0,0|2,0,1]=4 7636 B10R0.91 CCCOC[C@@H](N)CCSC 34a_100011827619_100000210303 [0,1,0,0,0,0|3,0,0]=4 7637 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [0,1,0,0,0,0|2,0,1]=4 7638 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,1,0,0,0,0|1,0,1]=3 7639 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [0,1,0,0,0,0|2,0,1]=4 7640 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [0,1,0,0,0,0|2,0,1]=4 7641 B10R0.91 CCCSCC(C)NCCO 270004a_100000210304_100011343953 [0,1,0,0,0,0|2,0,0]=3 7642 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,1,0,0,0,0|2,0,1]=4 7643 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,1,0,0,0,0|1,0,1]=3 7644 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [0,1,0,0,0,0|2,0,1]=4 7645 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [0,1,0,0,0,0|2,0,1]=4 7646 B10R0.91 CCOCC(C)OCCCF 34a_100000718985_100011934791 [0,1,0,0,0,0|3,0,0]=4 7647 B10R0.91 CCOCC(C)OCCCF 7a_100000718985_100011934791 [0,1,0,0,0,0|3,0,0]=4 7648 B10R0.91 CCOCC(C)OCCCO 34a_100000718985_100000230001 [0,1,0,0,0,0|2,0,0]=3 7649 B10R0.91 CCOCC(C)OCCCO 7a_100000718985_100011215043 [0,1,0,0,0,0|2,0,0]=3 7650 B10R0.91 CCOCC(O)CNCCF 2230a_102515437182_100011217306 [0,1,0,0,0,0|3,0,0]=4 7651 B10R0.91 CCOCC(O)CNCCF 34a_102515437182_100011217306 [0,1,0,0,0,0|3,0,0]=4 7652 B10R0.91 CCOCC(O)CNCCO 2230a_102515437182_100000211926 [0,1,0,0,0,0|2,0,0]=3 7653 B10R0.91 CCOCC(O)CNCCO 34a_102515437182_100000211926 [0,1,0,0,0,0|2,0,0]=3 7654 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,1,0,0,0,0|2,0,1]=4 7655 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,1,0,0,0,0|1,0,1]=3 7656 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [0,1,0,0,0,0|2,0,1]=4 7657 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [0,1,0,0,0,0|2,0,1]=4 7658 B10R0.91 CCOCCC(C)NCCO 270004a_100000210304_200011216536 [0,1,0,0,0,0|2,0,0]=3 7659 B10R0.91 CCOCCN(C)CCCO 2230a_100000213112_100011215890 [0,1,0,0,0,0|2,0,0]=3 7660 B10R0.91 CCOCCN(C)CCCO 269982a_100000213112_100011215890 [0,1,0,0,0,0|2,0,0]=3 7661 B10R0.91 CCOCN(C)CCCCO 269982a_100000717598_100000739092 [0,1,0,0,0,0|2,0,0]=3 7662 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [0,1,0,0,0,0|2,0,0]=3 7663 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [0,1,0,0,0,0|2,0,1]=4 7664 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [0,1,0,0,0,0|1,0,1]=3 7665 B10R0.91 CCSCC(=O)NCCCO 240690a_100000182051_100000230394 [0,1,0,0,0,0|2,0,1]=4 7666 B10R0.91 CCSCC(=O)NCCCO 527a_100000182051_100000230394 [0,1,0,0,0,0|2,0,1]=4 7667 B10R0.91 CCSCC(C)NCCCF 270004a_100015189416_200011216171 [0,1,0,0,0,0|3,0,0]=4 7668 B10R0.91 CCSCC(C)NCCCO 270004a_100000182051_200011216171 [0,1,0,0,0,0|2,0,0]=3 7669 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [0,1,0,0,0,0|2,0,1]=4 7670 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,1,0,0,0,0|1,0,1]=3 7671 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [0,1,0,0,0,0|2,0,1]=4 7672 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [0,1,0,0,0,0|2,0,1]=4 7673 B10R0.91 CCSCCN(C)CCCO 2230a_100000213112_100000757381 [0,1,0,0,0,0|2,0,0]=3 7674 B10R0.91 CCSCCN(C)CCCO 269982a_100000213112_100000757381 [0,1,0,0,0,0|2,0,0]=3 7675 B10R0.91 CN(CCC#N)CCCCO 2230a_100000184479_100000210776 [0,1,0,0,0,0|2,0,1]=4 7676 B10R0.91 CN(CCC#N)CCCCO 2230a_100000717598_100011215226 [0,1,0,0,0,0|2,0,1]=4 7677 B10R0.91 CN(CCC#N)CCCCO 269982a_100000717598_100011215226 [0,1,0,0,0,0|2,0,1]=4 7678 B10R0.91 CN(CCCF)CCCCO 2230a_100000717598_100011934791 [0,1,0,0,0,0|2,0,0]=3 7679 B10R0.91 CN(CCCF)CCCCO 269982a_100000717598_100011934791 [0,1,0,0,0,0|2,0,0]=3 7680 B10R0.91 CN(CCCO)CCCC#N 2230a_100000213112_100000687738 [0,1,0,0,0,0|2,0,1]=4 7681 B10R0.91 CN(CCCO)CCCC#N 269982a_100000213112_100000687738 [0,1,0,0,0,0|2,0,1]=4 7682 B10R0.91 CN(CCCO)CCCC=O 2230a_100000213112_200011292268 [0,1,0,0,0,0|2,0,1]=4 7683 B10R0.91 CN(CCCO)CCCC=O 269982a_100000213112_200011292268 [0,1,0,0,0,0|2,0,1]=4 7684 B10R0.91 CN(CCCO)CCCCF 2230a_100000213112_100000729493 [0,1,0,0,0,0|2,0,0]=3 7685 B10R0.91 CN(CCCO)CCCCF 269982a_100000213112_100000729493 [0,1,0,0,0,0|2,0,0]=3 7686 B10R0.91 CN(CCCO)CCCCO 2230a_100000213112_100000210776 [0,1,0,0,0,0|2,0,0]=3 7687 B10R0.91 CN(CCCO)CCCCO 2230a_100000717598_100000230001 [0,1,0,0,0,0|2,0,0]=3 7688 B10R0.91 CN(CCCO)CCCCO 269982a_100000213112_100000210776 [0,1,0,0,0,0|2,0,0]=3 7689 B10R0.91 CN(CCCO)CCCCO 269982a_100000717598_100011215043 [0,1,0,0,0,0|2,0,0]=3 7690 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,1,0,0,0,0|2,0,1]=4 7691 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,1,0,0,0,0|1,0,1]=3 7692 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,1,0,0,0,0|1,0,1]=3 7693 B10R0.91 COCCC(=O)COCCO 1458a_100000708028_100000233755 [0,1,0,0,0,0|2,0,1]=4 7694 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [0,1,0,0,0,0|2,0,1]=4 7695 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [0,1,0,0,0,0|2,0,1]=4 7696 B10R0.91 COCCC(C)NCCCF 270004a_100015189416_100000742357 [0,1,0,0,0,0|3,0,0]=4 7697 B10R0.91 COCCC(C)NCCCO 270004a_100000182051_100000742357 [0,1,0,0,0,0|2,0,0]=3 7698 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,1,0,0,0,0|2,0,1]=4 7699 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,1,0,0,0,0|1,0,1]=3 7700 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [0,1,0,0,0,0|2,0,1]=4 7701 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [0,1,0,0,0,0|2,0,1]=4 7702 B10R0.91 COCCCC(C)OCCF 34a_200011539412_100011217306 [0,1,0,0,0,0|3,0,0]=4 7703 B10R0.91 COCCCC(C)OCCF 7a_200011539412_100011217306 [0,1,0,0,0,0|3,0,0]=4 7704 B10R0.91 COCCCC(C)OCCO 34a_200011539412_100000211926 [0,1,0,0,0,0|2,0,0]=3 7705 B10R0.91 COCCCC(C)OCCO 7a_200011539412_100000211926 [0,1,0,0,0,0|2,0,0]=3 7706 B10R0.91 COCCCN(C)CCCF 2230a_100000224831_100011934791 [0,1,0,0,0,0|3,0,0]=4 7707 B10R0.91 COCCCN(C)CCCF 269982a_100000224831_100011934791 [0,1,0,0,0,0|3,0,0]=4 7708 B10R0.91 COCCCN(C)CCCO 2230a_100000213112_100000740836 [0,1,0,0,0,0|2,0,0]=3 7709 B10R0.91 COCCCN(C)CCCO 2230a_100000224831_100000230001 [0,1,0,0,0,0|2,0,0]=3 7710 B10R0.91 COCCCN(C)CCCO 269982a_100000213112_100000740836 [0,1,0,0,0,0|2,0,0]=3 7711 B10R0.91 COCCCN(C)CCCO 269982a_100000224831_100011215043 [0,1,0,0,0,0|2,0,0]=3 7712 B10R0.91 COCCN(C)CCCCF 2230a_100000743101_100000729493 [0,1,0,0,0,0|3,0,0]=4 7713 B10R0.91 COCCN(C)CCCCF 269982a_100000743101_100000729493 [0,1,0,0,0,0|3,0,0]=4 7714 B10R0.91 COCCN(C)CCCCO 2230a_100000717598_100011201679 [0,1,0,0,0,0|2,0,0]=3 7715 B10R0.91 COCCN(C)CCCCO 2230a_100000743101_100000210776 [0,1,0,0,0,0|2,0,0]=3 7716 B10R0.91 COCCN(C)CCCCO 269982a_100000717598_100000233755 [0,1,0,0,0,0|2,0,0]=3 7717 B10R0.91 COCCN(C)CCCCO 269982a_100000743101_100000210776 [0,1,0,0,0,0|2,0,0]=3 7718 B10R0.91 COCCOC(C)CCCCl 34a_200000718107_100011201679 [0,1,0,0,0,0|3,0,0]=4 7719 B10R0.91 COCCOC(C)CCCCl 7a_200000718107_100000233755 [0,1,0,0,0,0|3,0,0]=4 7720 B10R0.91 COCNC[C@H](C)CCCO 2230a_100160569302_100000766300 [0,1,0,0,0,0|2,0,0]=3 7721 B10R0.91 COCO[C@H](C)COCCO 34a_100016172286_100000211926 [0,1,0,0,0,0|3,0,0]=4 7722 B10R0.91 COCO[C@H](C)COCCO 7a_100016172286_100000211926 [0,1,0,0,0,0|3,0,0]=4 7723 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [0,1,0,0,0,0|2,0,1]=4 7724 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [0,1,0,0,0,0|1,0,1]=3 7725 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [0,1,0,0,0,0|1,0,1]=3 7726 B10R0.91 CSCCC(=O)COCCO 1458a_100000708028_100000751147 [0,1,0,0,0,0|2,0,1]=4 7727 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [0,1,0,0,0,0|2,0,1]=4 7728 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [0,1,0,0,0,0|2,0,1]=4 7729 B10R0.91 CSCCC(C)NCCCF 270004a_100015189416_100011217047 [0,1,0,0,0,0|3,0,0]=4 7730 B10R0.91 CSCCC(C)NCCCO 270004a_100000182051_100011217047 [0,1,0,0,0,0|2,0,0]=3 7731 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,1,0,0,0,0|2,0,1]=4 7732 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,1,0,0,0,0|1,0,1]=3 7733 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [0,1,0,0,0,0|2,0,1]=4 7734 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [0,1,0,0,0,0|2,0,1]=4 7735 B10R0.91 CSCCCC(C)NCCO 270004a_100000210304_100011399439 [0,1,0,0,0,0|2,0,0]=3 7736 B10R0.91 CSCCN(C)CCCCF 2230a_100000686725_100000729493 [0,1,0,0,0,0|3,0,0]=4 7737 B10R0.91 CSCCN(C)CCCCF 269982a_100000686725_100000729493 [0,1,0,0,0,0|3,0,0]=4 7738 B10R0.91 CSCCN(C)CCCCO 2230a_100000686725_100000210776 [0,1,0,0,0,0|2,0,0]=3 7739 B10R0.91 CSCCN(C)CCCCO 2230a_100000717598_100000751147 [0,1,0,0,0,0|2,0,0]=3 7740 B10R0.91 CSCCN(C)CCCCO 269982a_100000686725_100000210776 [0,1,0,0,0,0|2,0,0]=3 7741 B10R0.91 CSCCN(C)CCCCO 269982a_100000717598_100000212216 [0,1,0,0,0,0|2,0,0]=3 7742 B10R0.91 CSCCOC(C)CCCCl 34a_200000718107_100000212216 [0,1,0,0,0,0|3,0,0]=4 7743 B10R0.91 CSCCOC(C)CCCCl 7a_200000718107_100000212216 [0,1,0,0,0,0|3,0,0]=4 7744 B10R0.91 CSCC[C@H](N)COCCF 34a_100011827619_100011217306 [0,1,0,0,0,0|3,0,0]=4 7745 B10R0.91 CSCC[C@H](N)COCCO 34a_100011827619_100000211926 [0,1,0,0,0,0|2,0,0]=3 7746 B10R0.91 CSCNC[C@H](C)CCCO 2230a_100160569302_100011218213 [0,1,0,0,0,0|2,0,0]=3 7747 B10R0.91 CSCNC[C@H](C)CCCO 34a_100160569302_100011218213 [0,1,0,0,0,0|2,0,0]=3 7748 B10R0.91 C[C@H](CCCO)CNCC#N 2230a_100160569302_100011215382 [0,1,0,0,0,0|2,0,1]=4 7749 B10R0.91 C[C@H](CCCO)CNCC=O 2230a_100160569302_200015260668 [0,1,0,0,0,0|2,0,1]=4 7750 B10R0.91 C[C@H](CCCO)CNCC=O 34a_100160569302_200009817547 [0,1,0,0,0,0|2,0,1]=4 7751 B10R0.91 C[C@H](CCCO)CNCCF 2230a_100160569302_100011217306 [0,1,0,0,0,0|2,0,0]=3 7752 B10R0.91 C[C@H](CCCO)CNCCF 34a_100160569302_100011217306 [0,1,0,0,0,0|2,0,0]=3 7753 B10R0.91 C[C@H](CCCO)CNCCO 2230a_100160569302_100000211926 [0,1,0,0,0,0|2,0,0]=3 7754 B10R0.91 C[C@H](CCCO)CNCCO 34a_100160569302_100000211926 [0,1,0,0,0,0|2,0,0]=3 7755 B10R0.91 N#CCCC(=O)CCCCO 1458a_100000695505_100011215226 [0,1,0,0,0,0|1,0,2]=4 7756 B10R0.91 N#CCCC(=O)CCCCO 1458a_100011934036_100000210776 [0,1,0,0,0,0|1,0,2]=4 7757 B10R0.91 N#CCCCC(=O)CCCO 1458a_100000075515_100011215043 [0,1,0,0,0,0|1,0,2]=4 7758 B10R0.91 NCCCC[C@H](N)COCF 34a_100016993712_100015361967 [0,1,0,0,0,0|3,0,0]=4 7759 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [0,1,0,0,0,0|2,0,1]=4 7760 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [0,1,0,0,0,0|1,0,1]=3 7761 B10R0.91 O=C(CCCF)COCCO 1458a_100000708028_100011934791 [0,1,0,0,0,0|2,0,1]=4 7762 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,1,0,0,0,0|1,0,1]=3 7763 B10R0.91 O=C(CCCO)COCCO 1458a_100000708028_100011215043 [0,1,0,0,0,0|2,0,1]=4 7764 B10R1.4 C#CCN1CCCCC1C 2230a_100000211376_100000038162 [0,0,0,1,0,0|2,0,1]=4 7765 B10R1.4 C#CCN1CCCCC1C 34a_100000211376_100000184674 [0,0,0,1,0,0|2,0,1]=4 7766 B10R1.4 C=CCN1CCCCC1C 2230a_100000211376_100000210623 [0,0,0,1,0,0|2,0,1]=4 7767 B10R1.4 C=CCN1CCCCC1C 269982a_100000211376_100000210623 [0,0,0,1,0,0|2,0,1]=4 7768 B10R1.4 C=CCN1CCCCC1C 34a_100000211376_100015514636 [0,0,0,1,0,0|2,0,1]=4 7769 B10R1.4 CC1CCCCC1NCF 34a_100000211402_100015361967 [0,0,0,1,0,0|2,0,0]=3 7770 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [0,0,0,1,0,0|2,0,0]=3 7771 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [0,0,0,1,0,0|2,0,0]=3 7772 B10R1.4 CC1CCCCN1CC#N 2230a_100000211376_100011215382 [0,0,0,1,0,0|2,0,1]=4 7773 B10R1.4 CC1CCCCN1CC#N 269982a_100000211376_100011214920 [0,0,0,1,0,0|2,0,1]=4 7774 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [0,0,0,1,0,0|1,0,2]=4 7775 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [0,0,0,1,0,0|1,0,2]=4 7776 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [0,0,0,1,0,0|1,0,2]=4 7777 B10R1.4 CC1CCCCN1CCF 2230a_100000211376_100011217306 [0,0,0,1,0,0|2,0,0]=3 7778 B10R1.4 CC1CCCCN1CCF 269982a_100000211376_100011217306 [0,0,0,1,0,0|2,0,0]=3 7779 B10R1.4 CC1CCCCN1CCF 34a_100000211376_100011217306 [0,0,0,1,0,0|2,0,0]=3 7780 B10R1.4 CC1CCCCN1CCO 2230a_100000211376_100000211926 [0,0,0,1,0,0|1,0,0]=2 7781 B10R1.4 CC1CCCCN1CCO 269982a_100000211376_100000211926 [0,0,0,1,0,0|1,0,0]=2 7782 B10R1.4 CC1CCCCN1CCO 34a_100000211376_100000211926 [0,0,0,1,0,0|1,0,0]=2 7783 B10R1.4 CC1CCNCC1OCF 34a_100000696640_100015361967 [0,0,0,1,0,0|3,0,0]=4 7784 B10R1.4 CC1CNCCC1OCF 34a_100011998114_100015361967 [0,0,0,1,0,0|3,0,0]=4 7785 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [0,0,0,1,0,0|2,0,0]=3 7786 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [0,0,0,1,0,0|2,0,0]=3 7787 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [0,0,0,1,0,0|2,0,0]=3 7788 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [0,0,0,1,0,0|2,0,0]=3 7789 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [0,0,0,1,0,0|2,0,0]=3 7790 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [0,0,0,1,0,0|2,0,0]=3 7791 B10R1.4 CCCC1COCCN1C 2230a_102495339903_200000210301 [0,0,0,1,0,0|3,0,0]=4 7792 B10R1.4 CCCC1COCCN1C 269982a_102495339903_200000210301 [0,0,0,1,0,0|3,0,0]=4 7793 B10R1.4 CCCC1COCCN1C 34a_102495339903_200000210301 [0,0,0,1,0,0|3,0,0]=4 7794 B10R1.4 CCCC1COCCN1[13CH3] 2230a_102495339903_200025704644 [0,0,0,1,0,0|3,0,0]=4 7795 B10R1.4 CCCC1COCCN1[13CH3] 269982a_102495339903_200025704644 [0,0,0,1,0,0|3,0,0]=4 7796 B10R1.4 CCCC1COCCN1[13CH3] 34a_102495339903_200025704644 [0,0,0,1,0,0|3,0,0]=4 7797 B10R1.4 CCCN1CCCCC1C 2230a_100000211376_100000210303 [0,0,0,1,0,0|2,0,0]=3 7798 B10R1.4 CCCN1CCCCC1C 269982a_100000211376_100000210303 [0,0,0,1,0,0|2,0,0]=3 7799 B10R1.4 CCCN1CCCCC1C 34a_100000211376_100000210303 [0,0,0,1,0,0|2,0,0]=3 7800 B10R1.4 CCCN1CCOC[C@@H]1C 2230a_100009815349_100000210303 [0,0,0,1,0,0|3,0,0]=4 7801 B10R1.4 CCCN1CCOC[C@@H]1C 269982a_100009815349_100000210303 [0,0,0,1,0,0|3,0,0]=4 7802 B10R1.4 CCCN1CCOC[C@@H]1C 34a_100009815349_100000210303 [0,0,0,1,0,0|3,0,0]=4 7803 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [0,0,0,1,0,0|2,0,0]=3 7804 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [0,0,0,1,0,0|2,0,0]=3 7805 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [0,0,0,1,0,0|2,0,0]=3 7806 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [0,0,0,1,0,0|2,0,0]=3 7807 B10R1.4 CCNC1CCNCC1C 270004a_100015525214_100000703950 [0,0,0,1,0,0|3,0,0]=4 7808 B10R1.4 CCNC1CCOCC1C 270004a_100015525214_100000755695 [0,0,0,1,0,0|3,0,0]=4 7809 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210202 [0,0,0,1,0,0|2,0,0]=3 7810 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210202 [0,0,0,1,0,0|2,0,0]=3 7811 B10R1.4 CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210202 [0,0,0,1,0,0|2,0,0]=3 7812 B10R1.4 CCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000210202 [0,0,0,1,0,0|3,0,0]=4 7813 B10R1.4 CCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000210202 [0,0,0,1,0,0|3,0,0]=4 7814 B10R1.4 CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210202 [0,0,0,1,0,0|2,0,0]=3 7815 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,0,0,1,0,0|1,0,2]=4 7816 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,0,0,1,0,0|1,0,2]=4 7817 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [0,0,0,1,0,0|2,0,0]=3 7818 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [0,0,0,1,0,0|2,0,0]=3 7819 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [0,0,0,1,0,0|2,0,0]=3 7820 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [0,0,0,1,0,0|2,0,0]=3 7821 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [0,0,0,1,0,0|2,0,0]=3 7822 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,0,0,1,0,0|1,0,0]=2 7823 B10R1.4 CCOC1CCNCC1C 34a_100011998114_100000210202 [0,0,0,1,0,0|3,0,0]=4 7824 B10R1.4 CCOC1CNCCC1C 34a_100000696640_100000210202 [0,0,0,1,0,0|3,0,0]=4 7825 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [0,0,0,1,0,0|2,0,0]=3 7826 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [0,0,0,1,0,0|2,0,0]=3 7827 B10R1.4 CCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000210202 [0,0,0,1,0,0|3,0,0]=4 7828 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [0,0,0,1,0,0|2,0,0]=3 7829 B10R1.4 CCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000210202 [0,0,0,1,0,0|3,0,0]=4 7830 B10R1.4 CCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210202 [0,0,0,1,0,0|3,0,0]=4 7831 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,0,0,1,0,0|1,0,2]=4 7832 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,0,0,1,0,0|1,0,2]=4 7833 B10R1.4 CCSC1CCCCC1F 62a_100000210202_100015423560 [0,0,0,1,0,0|2,0,0]=3 7834 B10R1.4 CCSC1CCCCC1F 62a_100015423560_100000210202 [0,0,0,1,0,0|2,0,0]=3 7835 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [0,0,0,1,0,0|1,0,0]=2 7836 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [0,0,0,1,0,0|1,0,0]=2 7837 B10R1.4 CN1CCCCC1CC#N 2230a_100000133382_200000210301 [0,0,0,1,0,0|2,0,1]=4 7838 B10R1.4 CN1CCCCC1CC#N 34a_100000133382_200000210301 [0,0,0,1,0,0|2,0,1]=4 7839 B10R1.4 CN1CCCCC1CCO 2230a_100000211664_200000210301 [0,0,0,1,0,0|1,0,0]=2 7840 B10R1.4 CN1CCCCC1CCO 269982a_100000211664_200000210301 [0,0,0,1,0,0|1,0,0]=2 7841 B10R1.4 CN1CCCCC1CCO 34a_100000211664_200000210301 [0,0,0,1,0,0|1,0,0]=2 7842 B10R1.4 CN1CCCCC1CN[13CH3] 34a_100011228421_200025704644 [0,0,0,1,0,0|3,0,0]=4 7843 B10R1.4 CN1CCCCC1CO[13CH3] 34a_100000225079_200025704644 [0,0,0,1,0,0|3,0,0]=4 7844 B10R1.4 CN1CCCCC1CS[13CH3] 62a_100015185383_200025704644 [0,0,0,1,0,0|3,0,0]=4 7845 B10R1.4 CN1CCCCC1CS[13CH3] 62a_200025704644_100015185383 [0,0,0,1,0,0|3,0,0]=4 7846 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [0,0,0,1,0,0|1,0,0]=2 7847 B10R1.4 CNCC1CCCCN1C 34a_100011228421_200000210301 [0,0,0,1,0,0|3,0,0]=4 7848 B10R1.4 CNCC1CCCCN1C 34a_100102657272_100015186950 [0,0,0,1,0,0|3,0,0]=4 7849 B10R1.4 CNCC1CCCCN1C 7a_106832991635_100015185383 [0,0,0,1,0,0|3,0,0]=4 7850 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,0,0,1,0,0|1,0,2]=4 7851 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,0,0,1,0,0|1,0,2]=4 7852 B10R1.4 COCC1CCCCN1C 2230a_100015184032_200000210301 [0,0,0,1,0,0|3,0,0]=4 7853 B10R1.4 COCC1CCCCN1C 269982a_100015184032_200000210301 [0,0,0,1,0,0|3,0,0]=4 7854 B10R1.4 COCC1CCCCN1C 34a_100000225079_200000210301 [0,0,0,1,0,0|3,0,0]=4 7855 B10R1.4 COCC1CCCCN1C 34a_100015184032_200000210301 [0,0,0,1,0,0|3,0,0]=4 7856 B10R1.4 COCC1CCCCN1C 34a_100138415774_100015186950 [0,0,0,1,0,0|3,0,0]=4 7857 B10R1.4 COCC1CCCCN1[13CH3] 2230a_100015184032_200025704644 [0,0,0,1,0,0|3,0,0]=4 7858 B10R1.4 COCC1CCCCN1[13CH3] 269982a_100015184032_200025704644 [0,0,0,1,0,0|3,0,0]=4 7859 B10R1.4 COCC1CCCCN1[13CH3] 34a_100015184032_200025704644 [0,0,0,1,0,0|3,0,0]=4 7860 B10R1.4 COCC1COCCC1N 34a_214813039666_200000210301 [0,0,0,1,0,0|3,0,0]=4 7861 B10R1.4 COCN1CCCCC1C 2230a_100000211376_100000766300 [0,0,0,1,0,0|3,0,0]=4 7862 B10R1.4 COCN1CCCCC1C 269982a_100000211376_100000766300 [0,0,0,1,0,0|3,0,0]=4 7863 B10R1.4 CSCC1CCCCN1C 62a_100015185383_200000210301 [0,0,0,1,0,0|3,0,0]=4 7864 B10R1.4 CSCC1CCCCN1C 62a_200000210301_100015185383 [0,0,0,1,0,0|3,0,0]=4 7865 B10R1.4 CSCN1CCCCC1C 2230a_100000211376_100011218213 [0,0,0,1,0,0|3,0,0]=4 7866 B10R1.4 CSCN1CCCCC1C 269982a_100000211376_100011218213 [0,0,0,1,0,0|3,0,0]=4 7867 B10R1.4 CSCN1CCCCC1C 34a_100000211376_100011218213 [0,0,0,1,0,0|3,0,0]=4 7868 B10R1.4 C[C@H]1COCCN1CCF 2230a_100009815349_100011217306 [0,0,0,1,0,0|3,0,0]=4 7869 B10R1.4 C[C@H]1COCCN1CCF 269982a_100009815349_100011217306 [0,0,0,1,0,0|3,0,0]=4 7870 B10R1.4 C[C@H]1COCCN1CCF 34a_100009815349_100011217306 [0,0,0,1,0,0|3,0,0]=4 7871 B10R1.4 C[C@H]1COCCN1CCO 2230a_100009815349_100000211926 [0,0,0,1,0,0|2,0,0]=3 7872 B10R1.4 C[C@H]1COCCN1CCO 269982a_100009815349_100000211926 [0,0,0,1,0,0|2,0,0]=3 7873 B10R1.4 C[C@H]1COCCN1CCO 34a_100009815349_100000211926 [0,0,0,1,0,0|2,0,0]=3 7874 B10R1.4 FCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015361967 [0,0,0,1,0,0|3,0,0]=4 7875 B10R1.4 FCOC1CCCCC1Cl 34a_100000038908_100015361967 [0,0,0,1,0,0|3,0,0]=4 7876 B10R1.4 FCOC1CCCCC1Cl 7a_100000038908_100015361967 [0,0,0,1,0,0|3,0,0]=4 7877 B10R1.4 FCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015361967 [0,0,0,1,0,0|3,0,0]=4 7878 B10R1.4 FCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015361967 [0,0,0,1,0,0|3,0,0]=4 7879 B10R1.4 FCSC1CCCCC1F 62a_100015361967_100015423560 [0,0,0,1,0,0|3,0,0]=4 7880 B10R1.4 FCSC1CCCCC1F 62a_100015423560_100015361967 [0,0,0,1,0,0|3,0,0]=4 7881 B10R1.4 N[C@@H]1CCCC[C@@H]1OCF 34a_100015191688_100015361967 [0,0,0,1,0,0|3,0,0]=4 7882 B10R1.4 OC1CCCCC1SCF 62a_100000038908_100015361967 [0,0,0,1,0,0|2,0,0]=3 7883 B10R1.4 OC1CCCCC1SCF 62a_100015361967_100000038908 [0,0,0,1,0,0|2,0,0]=3 7884 B10R1.4 [13CH3]N1CCCCC1CC#N 2230a_100000133382_200025704644 [0,0,0,1,0,0|2,0,1]=4 7885 B10R1.4 [13CH3]N1CCCCC1CC#N 34a_100000133382_200025704644 [0,0,0,1,0,0|2,0,1]=4 7886 B10R1.4 [13CH3]N1CCCCC1CCO 2230a_100000211664_200025704644 [0,0,0,1,0,0|1,0,0]=2 7887 B10R1.4 [13CH3]N1CCCCC1CCO 269982a_100000211664_200025704644 [0,0,0,1,0,0|1,0,0]=2 7888 B10R1.4 [13CH3]N1CCCCC1CCO 34a_100000211664_200025704644 [0,0,0,1,0,0|1,0,0]=2 7889 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [0,0,0,1,0,0|1,0,0]=2 7890 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,0,0,1,0,0|1,0,2]=4 7891 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,0,0,1,0,0|1,0,2]=4 7892 B10R1.4 [13CH3]OCC1COCCC1N 34a_214813039666_200025704644 [0,0,0,1,0,0|3,0,0]=4 7893 B10R1.5 C#CCN1CCCC1CC 2230a_100000754278_100000038162 [0,0,0,1,0,0|2,0,1]=4 7894 B10R1.5 C#CCN1CCCC1CC 34a_100000754278_100000184674 [0,0,0,1,0,0|2,0,1]=4 7895 B10R1.5 C#CCN1CCC[C@@H]1CO 2230a_100000745186_100000038162 [0,0,0,1,0,0|1,0,2]=4 7896 B10R1.5 C#CCN1CCC[C@@H]1CO 34a_100000745186_100000184674 [0,0,0,1,0,0|1,0,2]=4 7897 B10R1.5 C=CCN1CCCC1CC 2230a_100000754278_100000210623 [0,0,0,1,0,0|2,0,1]=4 7898 B10R1.5 C=CCN1CCCC1CC 269982a_100000754278_100000210623 [0,0,0,1,0,0|2,0,1]=4 7899 B10R1.5 C=CCN1CCCC1CC 34a_100000754278_100015514636 [0,0,0,1,0,0|2,0,1]=4 7900 B10R1.5 C=CCN1CCC[C@@H]1CO 2230a_100000745186_100000210623 [0,0,0,1,0,0|1,0,2]=4 7901 B10R1.5 C=CCN1CCC[C@@H]1CO 269982a_100000745186_100000210623 [0,0,0,1,0,0|1,0,2]=4 7902 B10R1.5 C=CCN1CCC[C@@H]1CO 34a_100000745186_100015514636 [0,0,0,1,0,0|1,0,2]=4 7903 B10R1.5 CCC1C=CCN1CCO 2230a_100000730860_100000211926 [0,0,0,1,0,0|1,0,2]=4 7904 B10R1.5 CCC1C=CCN1CCO 269982a_100000730860_100000211926 [0,0,0,1,0,0|1,0,2]=4 7905 B10R1.5 CCC1C=CCN1CCO 34a_100000730860_100000211926 [0,0,0,1,0,0|1,0,2]=4 7906 B10R1.5 CCC1CCCN1CC#N 2230a_100000754278_100011215382 [0,0,0,1,0,0|2,0,1]=4 7907 B10R1.5 CCC1CCCN1CC#N 269982a_100000754278_100011214920 [0,0,0,1,0,0|2,0,1]=4 7908 B10R1.5 CCC1CCCN1CC=O 2230a_100000754278_200015260668 [0,0,0,1,0,0|1,0,2]=4 7909 B10R1.5 CCC1CCCN1CC=O 269982a_100000754278_200015260668 [0,0,0,1,0,0|1,0,2]=4 7910 B10R1.5 CCC1CCCN1CC=O 34a_100000754278_200009817547 [0,0,0,1,0,0|1,0,2]=4 7911 B10R1.5 CCC1CCCN1CCF 2230a_100000754278_100011217306 [0,0,0,1,0,0|2,0,0]=3 7912 B10R1.5 CCC1CCCN1CCF 269982a_100000754278_100011217306 [0,0,0,1,0,0|2,0,0]=3 7913 B10R1.5 CCC1CCCN1CCF 34a_100000754278_100011217306 [0,0,0,1,0,0|2,0,0]=3 7914 B10R1.5 CCC1CCCN1CCO 2230a_100000754278_100000211926 [0,0,0,1,0,0|1,0,0]=2 7915 B10R1.5 CCC1CCCN1CCO 269982a_100000754278_100000211926 [0,0,0,1,0,0|1,0,0]=2 7916 B10R1.5 CCC1CCCN1CCO 34a_100000754278_100000211926 [0,0,0,1,0,0|1,0,0]=2 7917 B10R1.5 CCC1CCCN1COC 2230a_100000754278_100000766300 [0,0,0,1,0,0|3,0,0]=4 7918 B10R1.5 CCC1CCCN1COC 269982a_100000754278_100000766300 [0,0,0,1,0,0|3,0,0]=4 7919 B10R1.5 CCC1CCCN1CSC 2230a_100000754278_100011218213 [0,0,0,1,0,0|3,0,0]=4 7920 B10R1.5 CCC1CCCN1CSC 269982a_100000754278_100011218213 [0,0,0,1,0,0|3,0,0]=4 7921 B10R1.5 CCC1CCCN1CSC 34a_100000754278_100011218213 [0,0,0,1,0,0|3,0,0]=4 7922 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [0,0,0,1,0,0|2,0,0]=3 7923 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [0,0,0,1,0,0|2,0,0]=3 7924 B10R1.5 CCCN1CCCC1C#N 2230a_100000701862_100000210303 [0,0,0,1,0,0|2,0,1]=4 7925 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [0,0,0,1,0,0|2,0,0]=3 7926 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [0,0,0,1,0,0|2,0,0]=3 7927 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [0,0,0,1,0,0|2,0,0]=3 7928 B10R1.5 CCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210303 [0,0,0,1,0,0|2,0,1]=4 7929 B10R1.5 CCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210303 [0,0,0,1,0,0|2,0,1]=4 7930 B10R1.5 CCCN1CCC[C@@H]1CO 2230a_100000745186_100000210303 [0,0,0,1,0,0|1,0,0]=2 7931 B10R1.5 CCCN1CCC[C@@H]1CO 269982a_100000745186_100000210303 [0,0,0,1,0,0|1,0,0]=2 7932 B10R1.5 CCCN1CCC[C@@H]1CO 34a_100000745186_100000210303 [0,0,0,1,0,0|1,0,0]=2 7933 B10R1.5 CCN1CCCC1CNC 2230a_100000211693_200000210301 [0,0,0,1,0,0|3,0,0]=4 7934 B10R1.5 CCN1CCCC1CN[13CH3] 2230a_100000211693_200025704644 [0,0,0,1,0,0|3,0,0]=4 7935 B10R1.5 CCN1CCC[C@@H]1COC 34a_100011739246_200000210301 [0,0,0,1,0,0|3,0,0]=4 7936 B10R1.5 CCN1CCC[C@@H]1COC 7a_100011739246_200000210301 [0,0,0,1,0,0|3,0,0]=4 7937 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 34a_100011739246_200025704644 [0,0,0,1,0,0|3,0,0]=4 7938 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 7a_100011739246_200025704644 [0,0,0,1,0,0|3,0,0]=4 7939 B10R1.5 CCN1CCC[C@H]1COC 2230a_100020646714_100000210202 [0,0,0,1,0,0|3,0,0]=4 7940 B10R1.5 CCN1CCC[C@H]1COC 269982a_100020646714_100000204670 [0,0,0,1,0,0|3,0,0]=4 7941 B10R1.5 CCN1CCC[C@H]1COC 34a_100020646714_100000210202 [0,0,0,1,0,0|3,0,0]=4 7942 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [0,0,0,1,0,0|2,0,0]=3 7943 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [0,0,0,1,0,0|2,0,0]=3 7944 B10R1.5 CCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210202 [0,0,0,1,0,0|2,0,1]=4 7945 B10R1.5 CCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210202 [0,0,0,1,0,0|2,0,1]=4 7946 B10R1.5 COCN1CCC[C@@H]1CO 2230a_100000745186_100000766300 [0,0,0,1,0,0|2,0,0]=3 7947 B10R1.5 COCN1CCC[C@@H]1CO 269982a_100000745186_100000766300 [0,0,0,1,0,0|2,0,0]=3 7948 B10R1.5 COC[C@@H]1CCCN1CF 269982a_100020646714_100015361967 [0,0,0,1,0,0|3,0,0]=4 7949 B10R1.5 COC[C@@H]1CCCN1CF 34a_100020646714_100015361967 [0,0,0,1,0,0|3,0,0]=4 7950 B10R1.5 CSCN1CCC[C@@H]1CO 2230a_100000745186_100011218213 [0,0,0,1,0,0|2,0,0]=3 7951 B10R1.5 CSCN1CCC[C@@H]1CO 269982a_100000745186_100011218213 [0,0,0,1,0,0|2,0,0]=3 7952 B10R1.5 CSCN1CCC[C@@H]1CO 34a_100000745186_100011218213 [0,0,0,1,0,0|2,0,0]=3 7953 B10R1.5 N#CC1CCCN1CCO 2230a_100000701862_100000211926 [0,0,0,1,0,0|2,0,1]=4 7954 B10R1.5 N#CCN1CCC[C@@H]1CO 2230a_100000745186_100011215382 [0,0,0,1,0,0|2,0,1]=4 7955 B10R1.5 N#CCN1CCC[C@@H]1CO 269982a_100000745186_100011214920 [0,0,0,1,0,0|2,0,1]=4 7956 B10R1.5 N#C[C@H]1CCCN1CCO 2230a_106645074975_100000211926 [0,0,0,1,0,0|2,0,1]=4 7957 B10R1.5 N#C[C@H]1CCCN1CCO 269982a_106645074975_100000211926 [0,0,0,1,0,0|2,0,1]=4 7958 B10R1.5 O=CCN1CCC[C@@H]1CO 2230a_100000745186_200015260668 [0,0,0,1,0,0|2,0,1]=4 7959 B10R1.5 O=CCN1CCC[C@@H]1CO 269982a_100000745186_200015260668 [0,0,0,1,0,0|2,0,1]=4 7960 B10R1.5 O=CCN1CCC[C@@H]1CO 34a_100000745186_200009817547 [0,0,0,1,0,0|2,0,1]=4 7961 B10R1.5 OCCN1CCC[C@@H]1CO 2230a_100000745186_100000211926 [0,0,0,1,0,0|2,0,0]=3 7962 B10R1.5 OCCN1CCC[C@@H]1CO 269982a_100000745186_100000211926 [0,0,0,1,0,0|2,0,0]=3 7963 B10R1.5 OCCN1CCC[C@@H]1CO 34a_100000745186_100000211926 [0,0,0,1,0,0|2,0,0]=3 7964 B10R1.5 OC[C@H]1CCCN1CCF 2230a_100000745186_100011217306 [0,0,0,1,0,0|2,0,0]=3 7965 B10R1.5 OC[C@H]1CCCN1CCF 269982a_100000745186_100011217306 [0,0,0,1,0,0|2,0,0]=3 7966 B10R1.5 OC[C@H]1CCCN1CCF 34a_100000745186_100011217306 [0,0,0,1,0,0|2,0,0]=3 7967 B10R1.17 BrCCOC1CCCCC1 34a_100000211926_100000210327 [0,0,0,1,0,0|2,0,0]=3 7968 B10R1.17 BrCCOC1CCCOC1 34a_100000211926_100000693364 [0,0,0,1,0,0|3,0,0]=4 7969 B10R1.17 BrCCOC1CCSCC1 34a_100000211926_100000069128 [0,0,0,1,0,0|3,0,0]=4 7970 B10R1.17 C#CCNC1CCCCC1 2230a_100000182618_100000038162 [0,0,0,1,0,0|2,0,1]=4 7971 B10R1.17 C#CCNC1CCCCC1 34a_100000182618_100000184674 [0,0,0,1,0,0|2,0,1]=4 7972 B10R1.17 C#CCNC1CCCCC1 34a_100000212058_100000210327 [0,0,0,1,0,0|2,0,1]=4 7973 B10R1.17 C#CCOC1CCCCC1 34a_100000210231_100000184674 [0,0,0,1,0,0|2,0,1]=4 7974 B10R1.17 C#CCOC1CCCCC1 34a_100000210247_100000210327 [0,0,0,1,0,0|2,0,1]=4 7975 B10R1.17 C#CCOC1CCCCC1 7a_100000210231_100000038162 [0,0,0,1,0,0|2,0,1]=4 7976 B10R1.17 C#CCOC1CCCCO1 34a_100000033831_100000184674 [0,0,0,1,0,0|1,0,2]=4 7977 B10R1.17 C#CCSC1CCCCC1 62a_100000038162_100000210327 [0,0,0,1,0,0|2,0,1]=4 7978 B10R1.17 C=CCNC1CCCCC1 2230a_100000182618_100000210623 [0,0,0,1,0,0|2,0,1]=4 7979 B10R1.17 C=CCNC1CCCCC1 270004a_100020586998_100000210434 [0,0,0,1,0,0|2,0,1]=4 7980 B10R1.17 C=CCNC1CCCCC1 34a_100000182618_100015514636 [0,0,0,1,0,0|2,0,1]=4 7981 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [0,0,0,1,0,0|2,0,1]=4 7982 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [0,0,0,1,0,0|2,0,1]=4 7983 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [0,0,0,1,0,0|2,0,1]=4 7984 B10R1.17 C=CCOC1CCCCO1 34a_100000033831_100015514636 [0,0,0,1,0,0|1,0,2]=4 7985 B10R1.17 C=CCSC1CCCCC1 62a_100000210327_100000210623 [0,0,0,1,0,0|2,0,1]=4 7986 B10R1.17 C=CCSC1CCCCC1 62a_100000210623_100000210327 [0,0,0,1,0,0|2,0,1]=4 7987 B10R1.17 CCCCN1CCCOC1 2230a_100000131196_100000210211 [0,0,0,1,0,0|3,0,0]=4 7988 B10R1.17 CCCCN1CCCOC1 269982a_100000131196_100000210211 [0,0,0,1,0,0|3,0,0]=4 7989 B10R1.17 CCCCN1CCCOC1 34a_100000131196_100000210210 [0,0,0,1,0,0|3,0,0]=4 7990 B10R1.17 CCCCN1CCOCC1 2230a_100015191051_100000210211 [0,0,0,1,0,0|3,0,0]=4 7991 B10R1.17 CCCCN1CCOCC1 269982a_100015191051_100000210211 [0,0,0,1,0,0|3,0,0]=4 7992 B10R1.17 CCCCN1CCOCC1 34a_100015191051_100000210210 [0,0,0,1,0,0|3,0,0]=4 7993 B10R1.17 CCCCN1CCSCC1 2230a_100000737611_100000210211 [0,0,0,1,0,0|3,0,0]=4 7994 B10R1.17 CCCCN1CCSCC1 269982a_100000737611_100000210211 [0,0,0,1,0,0|3,0,0]=4 7995 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [0,0,0,1,0,0|2,0,0]=3 7996 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [0,0,0,1,0,0|2,0,0]=3 7997 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [0,0,0,1,0,0|2,0,0]=3 7998 B10R1.17 CCCNC1CCCOC1 2230a_100000719290_100000210303 [0,0,0,1,0,0|3,0,0]=4 7999 B10R1.17 CCCNC1CCCOC1 270004a_100020643023_100000753404 [0,0,0,1,0,0|3,0,0]=4 8000 B10R1.17 CCCNC1CCCOC1 34a_100000719290_100000210303 [0,0,0,1,0,0|3,0,0]=4 8001 B10R1.17 CCCNC1CCCSC1 270004a_100020643023_100000057913 [0,0,0,1,0,0|3,0,0]=4 8002 B10R1.17 CCCNC1CCNCC1 270004a_100020643023_100015192401 [0,0,0,1,0,0|3,0,0]=4 8003 B10R1.17 CCCNC1CCOCC1 2230a_100000741149_100000210303 [0,0,0,1,0,0|3,0,0]=4 8004 B10R1.17 CCCNC1CCOCC1 270004a_100020643023_100011217826 [0,0,0,1,0,0|3,0,0]=4 8005 B10R1.17 CCCNC1CCOCC1 34a_100000741149_100000210303 [0,0,0,1,0,0|3,0,0]=4 8006 B10R1.17 CCCNC1CCSCC1 2230a_100000748639_100000210303 [0,0,0,1,0,0|3,0,0]=4 8007 B10R1.17 CCCNC1CCSCC1 270004a_100020643023_100000203788 [0,0,0,1,0,0|3,0,0]=4 8008 B10R1.17 CCCNC1CCSCC1 34a_100000748639_100000210303 [0,0,0,1,0,0|3,0,0]=4 8009 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [0,0,0,1,0,0|2,0,1]=4 8010 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [0,0,0,1,0,0|2,0,0]=3 8011 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [0,0,0,1,0,0|2,0,0]=3 8012 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [0,0,0,1,0,0|2,0,0]=3 8013 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [0,0,0,1,0,0|1,0,0]=2 8014 B10R1.17 CCCOC1CCCOC1 34a_100000210258_100000693364 [0,0,0,1,0,0|3,0,0]=4 8015 B10R1.17 CCCOC1CCCOC1 34a_100000754041_100000210303 [0,0,0,1,0,0|3,0,0]=4 8016 B10R1.17 CCCOC1CCCSC1 7a_100015962668_100000210303 [0,0,0,1,0,0|3,0,0]=4 8017 B10R1.17 CCCOC1CCOCC1 34a_100000744328_100000210303 [0,0,0,1,0,0|3,0,0]=4 8018 B10R1.17 CCCOC1CCSCC1 34a_100000210258_100000069128 [0,0,0,1,0,0|3,0,0]=4 8019 B10R1.17 CCCOC1CCSCC1 34a_100000731022_100000210303 [0,0,0,1,0,0|3,0,0]=4 8020 B10R1.17 CCCOC1CCSCC1 7a_100000731022_100000210303 [0,0,0,1,0,0|3,0,0]=4 8021 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [0,0,0,1,0,0|2,0,1]=4 8022 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [0,0,0,1,0,0|2,0,1]=4 8023 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [0,0,0,1,0,0|2,0,0]=3 8024 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [0,0,0,1,0,0|2,0,0]=3 8025 B10R1.17 CCCSC1CCCOC1 62a_100000210303_100000693364 [0,0,0,1,0,0|3,0,0]=4 8026 B10R1.17 CCCSC1CCOCC1 62a_100000210303_100011324220 [0,0,0,1,0,0|3,0,0]=4 8027 B10R1.17 CCCSC1CCSCC1 62a_100000210303_100000069128 [0,0,0,1,0,0|3,0,0]=4 8028 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [0,0,0,1,0,0|2,0,0]=3 8029 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [0,0,0,1,0,0|2,0,0]=3 8030 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [0,0,0,1,0,0|2,0,0]=3 8031 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [0,0,0,1,0,0|2,0,0]=3 8032 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [0,0,0,1,0,0|1,0,0]=2 8033 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [0,0,0,1,0,0|1,0,0]=2 8034 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [0,0,0,1,0,0|1,0,0]=2 8035 B10R1.17 CCNCC1CCCOC1 2230a_100000720124_100000210202 [0,0,0,1,0,0|3,0,0]=4 8036 B10R1.17 CCNCC1CCCOC1 2230a_100015525214_100000741521 [0,0,0,1,0,0|3,0,0]=4 8037 B10R1.17 CCNCC1CCCOC1 34a_100000720124_100000210202 [0,0,0,1,0,0|3,0,0]=4 8038 B10R1.17 CCNCC1CCOCC1 2230a_100000746373_100000210202 [0,0,0,1,0,0|3,0,0]=4 8039 B10R1.17 CCNCC1CCOCC1 2230a_100015525214_100000754603 [0,0,0,1,0,0|3,0,0]=4 8040 B10R1.17 CCNCC1CCOCC1 269862a_100015525214_100000749017 [0,0,0,1,0,0|3,0,0]=4 8041 B10R1.17 CCNCC1CCOCC1 34a_100000746373_100000210202 [0,0,0,1,0,0|3,0,0]=4 8042 B10R1.17 CCNCC1CCSCC1 2230a_100015188806_100000210202 [0,0,0,1,0,0|3,0,0]=4 8043 B10R1.17 CCNCC1CCSCC1 269862a_100015525214_100000067145 [0,0,0,1,0,0|3,0,0]=4 8044 B10R1.17 CCNCC1CCSCC1 270004a_100015525214_100000067145 [0,0,0,1,0,0|3,0,0]=4 8045 B10R1.17 CCNCC1CCSCC1 34a_100015188806_100000210202 [0,0,0,1,0,0|3,0,0]=4 8046 B10R1.17 CCNC[C@H]1COCCO1 2230a_100010981119_100000210202 [0,0,0,1,0,0|2,0,0]=3 8047 B10R1.17 CCNC[C@H]1COCCO1 34a_100010981119_100000210202 [0,0,0,1,0,0|2,0,0]=3 8048 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [0,0,0,1,0,0|1,0,2]=4 8049 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [0,0,0,1,0,0|2,0,0]=3 8050 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [0,0,0,1,0,0|2,0,0]=3 8051 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [0,0,0,1,0,0|2,0,0]=3 8052 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [0,0,0,1,0,0|2,0,0]=3 8053 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [0,0,0,1,0,0|1,0,0]=2 8054 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [0,0,0,1,0,0|1,0,0]=2 8055 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [0,0,0,1,0,0|1,0,0]=2 8056 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [0,0,0,1,0,0|3,0,0]=4 8057 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [0,0,0,1,0,0|3,0,0]=4 8058 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [0,0,0,1,0,0|3,0,0]=4 8059 B10R1.17 CCOCC1CCNCC1 34a_100000738675_100000210202 [0,0,0,1,0,0|3,0,0]=4 8060 B10R1.17 CCOCC1CCOCC1 34a_100000749013_100000210202 [0,0,0,1,0,0|3,0,0]=4 8061 B10R1.17 CCOCC1CCOCC1 34a_100121572206_100000754603 [0,0,0,1,0,0|3,0,0]=4 8062 B10R1.17 CCOCC1CCSCC1 34a_100000070558_100000210202 [0,0,0,1,0,0|3,0,0]=4 8063 B10R1.17 CCOCC1CCSCC1 7a_100000070558_100000210202 [0,0,0,1,0,0|3,0,0]=4 8064 B10R1.17 CCOC[C@@H]1CNCCO1 34a_100015189573_100000210202 [0,0,0,1,0,0|2,0,0]=3 8065 B10R1.17 CCOC[C@@H]1COCCN1 34a_100000717676_100000210202 [0,0,0,1,0,0|3,0,0]=4 8066 B10R1.17 CCOC[C@H]1COCCO1 34a_100009875890_100000210202 [0,0,0,1,0,0|2,0,0]=3 8067 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [0,0,0,1,0,0|2,0,0]=3 8068 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [0,0,0,1,0,0|2,0,0]=3 8069 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [0,0,0,1,0,0|1,0,0]=2 8070 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [0,0,0,1,0,0|1,0,0]=2 8071 B10R1.17 CCSCC1CCCOC1 62a_100000210202_100000741521 [0,0,0,1,0,0|3,0,0]=4 8072 B10R1.17 CCSCC1CCCOC1 62a_100000741521_100000210202 [0,0,0,1,0,0|3,0,0]=4 8073 B10R1.17 CCSCC1CCOCC1 62a_100000210202_100000749018 [0,0,0,1,0,0|3,0,0]=4 8074 B10R1.17 CCSCC1CCOCC1 62a_100000754603_100000210202 [0,0,0,1,0,0|3,0,0]=4 8075 B10R1.17 CNCCC1=CCCCC1 2230a_100000212019_200000210301 [0,0,0,1,0,0|2,0,1]=4 8076 B10R1.17 CNCCC1=CCCCC1 34a_100000212019_200000210301 [0,0,0,1,0,0|2,0,1]=4 8077 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [0,0,0,1,0,0|2,0,0]=3 8078 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [0,0,0,1,0,0|2,0,0]=3 8079 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [0,0,0,1,0,0|2,0,0]=3 8080 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [0,0,0,1,0,0|2,0,0]=3 8081 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [0,0,0,1,0,0|2,0,0]=3 8082 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [0,0,0,1,0,0|2,0,0]=3 8083 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [0,0,0,1,0,0|1,0,0]=2 8084 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [0,0,0,1,0,0|1,0,0]=2 8085 B10R1.17 CNCCC1CCOCC1 2230a_100000755988_200000210301 [0,0,0,1,0,0|3,0,0]=4 8086 B10R1.17 CNCCC1CCOCC1 2230a_106832991635_100011934994 [0,0,0,1,0,0|3,0,0]=4 8087 B10R1.17 CNCCC1CCOCC1 34a_100000755988_200000210301 [0,0,0,1,0,0|3,0,0]=4 8088 B10R1.17 CNCCC1CCOCC1 34a_100102657272_100011934994 [0,0,0,1,0,0|3,0,0]=4 8089 B10R1.17 CNCCC1CCOCC1 7a_106832991635_100011934994 [0,0,0,1,0,0|3,0,0]=4 8090 B10R1.17 CNCCC1OCCCO1 2230a_106832991635_100000764188 [0,0,0,1,0,0|2,0,0]=3 8091 B10R1.17 CNCCC1OCCCO1 34a_100102657272_100000764188 [0,0,0,1,0,0|2,0,0]=3 8092 B10R1.17 CNCCC1OCCCO1 7a_106832991635_100000764188 [0,0,0,1,0,0|2,0,0]=3 8093 B10R1.17 CNCCN1CCCCC1 2230a_106832991635_100000739454 [0,0,0,1,0,0|3,0,0]=4 8094 B10R1.17 CNCCN1CCCCC1 34a_100102657272_100000739454 [0,0,0,1,0,0|3,0,0]=4 8095 B10R1.17 CNCCN1CCCCC1 7a_106832991635_100000739454 [0,0,0,1,0,0|3,0,0]=4 8096 B10R1.17 CNCOC1CCCCC1 2230a_106832991635_100011935260 [0,0,0,1,0,0|3,0,0]=4 8097 B10R1.17 CNCOC1CCCCC1 34a_100102657272_100011935260 [0,0,0,1,0,0|3,0,0]=4 8098 B10R1.17 CNCOC1CCCCC1 7a_106832991635_100011935260 [0,0,0,1,0,0|3,0,0]=4 8099 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [0,0,0,1,0,0|2,0,0]=3 8100 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [0,0,0,1,0,0|2,0,0]=3 8101 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [0,0,0,1,0,0|2,0,0]=3 8102 B10R1.17 COCCC1CCCCN1 34a_100000211664_200000210301 [0,0,0,1,0,0|2,0,0]=3 8103 B10R1.17 COCCC1CCCNC1 34a_100000752241_200000210301 [0,0,0,1,0,0|3,0,0]=4 8104 B10R1.17 COCCC1CCNCC1 34a_100015190746_200000210301 [0,0,0,1,0,0|3,0,0]=4 8105 B10R1.17 COCCC1CCOCC1 34a_100011933979_200000210301 [0,0,0,1,0,0|3,0,0]=4 8106 B10R1.17 COCCC1CCOCC1 34a_100138415774_100011934994 [0,0,0,1,0,0|3,0,0]=4 8107 B10R1.17 COCCC1CCOCC1 7a_100011933979_200000210301 [0,0,0,1,0,0|3,0,0]=4 8108 B10R1.17 COCCC1OCCCO1 34a_100138415774_100000764188 [0,0,0,1,0,0|2,0,0]=3 8109 B10R1.17 COCCC1SCCCS1 34a_200011025297_200000210301 [0,0,0,1,0,0|2,1,0]=4 8110 B10R1.17 COCCC1SCCCS1 7a_200011025297_200000210301 [0,0,0,1,0,0|2,1,0]=4 8111 B10R1.17 COCCN1CCCCC1 34a_100138415774_100000739454 [0,0,0,1,0,0|3,0,0]=4 8112 B10R1.17 COCC[C@@H]1CNCCN1 34a_100016989929_200000210301 [0,0,0,1,0,0|3,0,0]=4 8113 B10R1.17 COCNC1CCCCC1 2230a_100000182618_100000766300 [0,0,0,1,0,0|3,0,0]=4 8114 B10R1.17 COCOC1CCCCC1 34a_100138415774_100011935260 [0,0,0,1,0,0|3,0,0]=4 8115 B10R1.17 COCSC1CCCCC1 62a_100000210327_100000766300 [0,0,0,1,0,0|3,0,0]=4 8116 B10R1.17 COCSC1CCCCC1 62a_100000766300_100000210327 [0,0,0,1,0,0|3,0,0]=4 8117 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [0,0,0,1,0,0|2,0,0]=3 8118 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [0,0,0,1,0,0|2,0,0]=3 8119 B10R1.17 CSCCC1CCOCC1 62a_100011934994_200000210301 [0,0,0,1,0,0|3,0,0]=4 8120 B10R1.17 CSCCC1CCOCC1 62a_200000210301_100011934994 [0,0,0,1,0,0|3,0,0]=4 8121 B10R1.17 CSCCC1OCCCO1 62a_100000764188_200000210301 [0,0,0,1,0,0|2,0,0]=3 8122 B10R1.17 CSCCC1OCCCO1 62a_200000210301_100000764188 [0,0,0,1,0,0|2,0,0]=3 8123 B10R1.17 CSCCN1CCCCC1 62a_100000739454_200000210301 [0,0,0,1,0,0|3,0,0]=4 8124 B10R1.17 CSCCN1CCCCC1 62a_200000210301_100000739454 [0,0,0,1,0,0|3,0,0]=4 8125 B10R1.17 CSCNC1CCCCC1 2230a_100000182618_100011218213 [0,0,0,1,0,0|3,0,0]=4 8126 B10R1.17 CSCNC1CCCCC1 34a_100000182618_100011218213 [0,0,0,1,0,0|3,0,0]=4 8127 B10R1.17 CSCOC1CCCCC1 34a_100000210231_100011218213 [0,0,0,1,0,0|3,0,0]=4 8128 B10R1.17 CSCOC1CCCCC1 62a_100011935260_200000210301 [0,0,0,1,0,0|3,0,0]=4 8129 B10R1.17 CSCOC1CCCCC1 62a_200000210301_100011935260 [0,0,0,1,0,0|3,0,0]=4 8130 B10R1.17 CSCOC1CCCCO1 34a_100000033831_100011218213 [0,0,0,1,0,0|2,0,0]=3 8131 B10R1.17 CSCSC1CCCCC1 62a_100000210327_100011218213 [0,0,0,1,0,0|3,0,0]=4 8132 B10R1.17 CSCSC1CCCCC1 62a_100011218213_100000210327 [0,0,0,1,0,0|3,0,0]=4 8133 B10R1.17 FCCCN1CCCOC1 2230a_100000131196_100011934791 [0,0,0,1,0,0|3,0,0]=4 8134 B10R1.17 FCCCN1CCCOC1 269982a_100000131196_100011934791 [0,0,0,1,0,0|3,0,0]=4 8135 B10R1.17 FCCCN1CCCOC1 34a_100000131196_100011934791 [0,0,0,1,0,0|3,0,0]=4 8136 B10R1.17 FCCCN1CCOCC1 2230a_100015191051_100011934791 [0,0,0,1,0,0|3,0,0]=4 8137 B10R1.17 FCCCN1CCOCC1 269982a_100015191051_100011934791 [0,0,0,1,0,0|3,0,0]=4 8138 B10R1.17 FCCCN1CCOCC1 34a_100015191051_100011934791 [0,0,0,1,0,0|3,0,0]=4 8139 B10R1.17 FCCCN1CCSCC1 2230a_100000737611_100011934791 [0,0,0,1,0,0|3,0,0]=4 8140 B10R1.17 FCCCN1CCSCC1 269982a_100000737611_100011934791 [0,0,0,1,0,0|3,0,0]=4 8141 B10R1.17 FCCNC1CCCCC1 2230a_100000182618_100011217306 [0,0,0,1,0,0|2,0,0]=3 8142 B10R1.17 FCCNC1CCCCC1 34a_100000182618_100011217306 [0,0,0,1,0,0|2,0,0]=3 8143 B10R1.17 FCCNC1CCCCC1 34a_100000724931_100000210327 [0,0,0,1,0,0|2,0,0]=3 8144 B10R1.17 FCCNC1CCCOC1 2230a_100000719290_100011217306 [0,0,0,1,0,0|3,0,0]=4 8145 B10R1.17 FCCNC1CCCOC1 34a_100000719290_100011217306 [0,0,0,1,0,0|3,0,0]=4 8146 B10R1.17 FCCNC1CCCOC1 34a_100000724931_100000693364 [0,0,0,1,0,0|3,0,0]=4 8147 B10R1.17 FCCNC1CCOCC1 2230a_100000741149_100011217306 [0,0,0,1,0,0|3,0,0]=4 8148 B10R1.17 FCCNC1CCOCC1 34a_100000741149_100011217306 [0,0,0,1,0,0|3,0,0]=4 8149 B10R1.17 FCCNC1CCSCC1 2230a_100000748639_100011217306 [0,0,0,1,0,0|3,0,0]=4 8150 B10R1.17 FCCNC1CCSCC1 34a_100000724931_100000069128 [0,0,0,1,0,0|3,0,0]=4 8151 B10R1.17 FCCNC1CCSCC1 34a_100000748639_100011217306 [0,0,0,1,0,0|3,0,0]=4 8152 B10R1.17 FCCOC1CCCCC1 34a_100000210231_100011217306 [0,0,0,1,0,0|2,0,0]=3 8153 B10R1.17 FCCOC1CCCCC1 7a_100000210231_100011217306 [0,0,0,1,0,0|2,0,0]=3 8154 B10R1.17 FCCOC1CCCCO1 34a_100000033831_100011217306 [0,0,0,1,0,0|2,0,0]=3 8155 B10R1.17 FCCOC1CCCOC1 34a_100000754041_100011217306 [0,0,0,1,0,0|3,0,0]=4 8156 B10R1.17 FCCOC1CCCSC1 7a_100015962668_100011217306 [0,0,0,1,0,0|3,0,0]=4 8157 B10R1.17 FCCOC1CCOCC1 34a_100000744328_100011217306 [0,0,0,1,0,0|3,0,0]=4 8158 B10R1.17 FCCOC1CCSCC1 34a_100000731022_100011217306 [0,0,0,1,0,0|3,0,0]=4 8159 B10R1.17 FCCOC1CCSCC1 7a_100000731022_100011217306 [0,0,0,1,0,0|3,0,0]=4 8160 B10R1.17 FCCSC1CCCCC1 62a_100000210327_100011217306 [0,0,0,1,0,0|2,0,0]=3 8161 B10R1.17 FCCSC1CCCCC1 62a_100011217306_100000210327 [0,0,0,1,0,0|2,0,0]=3 8162 B10R1.17 FCCSC1CCCOC1 62a_100011217306_100000693364 [0,0,0,1,0,0|3,0,0]=4 8163 B10R1.17 FCCSC1CCOCC1 62a_100011217306_100011324220 [0,0,0,1,0,0|3,0,0]=4 8164 B10R1.17 FCCSC1CCSCC1 62a_100011217306_100000069128 [0,0,0,1,0,0|3,0,0]=4 8165 B10R1.17 FCNCC1CCCCC1 34a_100000210473_100015361967 [0,0,0,1,0,0|2,0,0]=3 8166 B10R1.17 FCNCC1CCCCO1 34a_100000174945_100015361967 [0,0,0,1,0,0|2,0,0]=3 8167 B10R1.17 FCNCC1CCCOC1 34a_100000720124_100015361967 [0,0,0,1,0,0|3,0,0]=4 8168 B10R1.17 FCNCC1CCOCC1 34a_100000746373_100015361967 [0,0,0,1,0,0|3,0,0]=4 8169 B10R1.17 FCNCC1CCSCC1 34a_100015188806_100015361967 [0,0,0,1,0,0|3,0,0]=4 8170 B10R1.17 FCNC[C@H]1COCCO1 34a_100010981119_100015361967 [0,0,0,1,0,0|3,0,0]=4 8171 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [0,0,0,1,0,0|2,0,0]=3 8172 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [0,0,0,1,0,0|2,0,0]=3 8173 B10R1.17 FCOCC1CCCCN1 34a_100000210821_100015361967 [0,0,0,1,0,0|3,0,0]=4 8174 B10R1.17 FCOCC1CCCCO1 34a_100000211370_100015361967 [0,0,0,1,0,0|2,0,0]=3 8175 B10R1.17 FCOCC1CCCCO1 7a_100000211370_100015361967 [0,0,0,1,0,0|2,0,0]=3 8176 B10R1.17 FCOCC1CCCNC1 34a_100000211344_100015361967 [0,0,0,1,0,0|3,0,0]=4 8177 B10R1.17 FCOCC1CCCOC1 34a_100000741520_100015361967 [0,0,0,1,0,0|3,0,0]=4 8178 B10R1.17 FCOCC1CCNCC1 34a_100000738675_100015361967 [0,0,0,1,0,0|3,0,0]=4 8179 B10R1.17 FCOCC1CCOCC1 34a_100000749013_100015361967 [0,0,0,1,0,0|3,0,0]=4 8180 B10R1.17 FCOCC1CCSCC1 34a_100000070558_100015361967 [0,0,0,1,0,0|3,0,0]=4 8181 B10R1.17 FCOCC1CCSCC1 7a_100000070558_100015361967 [0,0,0,1,0,0|3,0,0]=4 8182 B10R1.17 FCOC[C@@H]1CNCCO1 34a_100015189573_100015361967 [0,0,0,1,0,0|3,0,0]=4 8183 B10R1.17 FCOC[C@H]1COCCO1 34a_100009875890_100015361967 [0,0,0,1,0,0|3,0,0]=4 8184 B10R1.17 FCSCC1CCCCC1 62a_100000211423_100015361967 [0,0,0,1,0,0|2,0,0]=3 8185 B10R1.17 FCSCC1CCCCC1 62a_100015361967_100000211423 [0,0,0,1,0,0|2,0,0]=3 8186 B10R1.17 FCSCC1CCCCO1 62a_100000211543_100015361967 [0,0,0,1,0,0|2,0,0]=3 8187 B10R1.17 FCSCC1CCCCO1 62a_100015361967_100000211543 [0,0,0,1,0,0|2,0,0]=3 8188 B10R1.17 FCSCC1CCCOC1 62a_100000741521_100015361967 [0,0,0,1,0,0|3,0,0]=4 8189 B10R1.17 FCSCC1CCCOC1 62a_100015361967_100000741521 [0,0,0,1,0,0|3,0,0]=4 8190 B10R1.17 FCSCC1CCOCC1 62a_100000754603_100015361967 [0,0,0,1,0,0|3,0,0]=4 8191 B10R1.17 FCSCC1CCOCC1 62a_100015361967_100000749018 [0,0,0,1,0,0|3,0,0]=4 8192 B10R1.17 N#CCNC1CCCCC1 2230a_100000182618_100011215382 [0,0,0,1,0,0|2,0,1]=4 8193 B10R1.17 N#CCOC1CCCCC1 7a_100000210231_100011215382 [0,0,0,1,0,0|2,0,1]=4 8194 B10R1.17 N#CCSC1CCCCC1 62a_100000210327_100011215382 [0,0,0,1,0,0|2,0,1]=4 8195 B10R1.17 N#CCSC1CCCCC1 62a_100011215382_100000210327 [0,0,0,1,0,0|2,0,1]=4 8196 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [0,0,0,1,0,0|2,0,0]=3 8197 B10R1.17 NCCOC1CCCOC1 34a_100000210304_100000693364 [0,0,0,1,0,0|3,0,0]=4 8198 B10R1.17 NCCOC1CCSCC1 34a_100000210304_100000069128 [0,0,0,1,0,0|3,0,0]=4 8199 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [0,0,0,1,0,0|1,0,2]=4 8200 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [0,0,0,1,0,0|1,0,2]=4 8201 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [0,0,0,1,0,0|1,0,2]=4 8202 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [0,0,0,1,0,0|1,0,2]=4 8203 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [0,0,0,1,0,0|2,0,1]=4 8204 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [0,0,0,1,0,0|1,0,2]=4 8205 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [0,0,0,1,0,0|1,0,2]=4 8206 B10R1.17 OCCCN1CC=CCC1 2230a_100000698166_100000230001 [0,0,0,1,0,0|1,0,2]=4 8207 B10R1.17 OCCCN1CC=CCC1 269982a_100000698166_100011215043 [0,0,0,1,0,0|1,0,2]=4 8208 B10R1.17 OCCCN1CC=CCC1 34a_100000698166_100000230001 [0,0,0,1,0,0|1,0,2]=4 8209 B10R1.17 OCCCN1CCCOC1 2230a_100000131196_100000230001 [0,0,0,1,0,0|2,0,0]=3 8210 B10R1.17 OCCCN1CCCOC1 269982a_100000131196_100011215043 [0,0,0,1,0,0|2,0,0]=3 8211 B10R1.17 OCCCN1CCCOC1 34a_100000131196_100000230001 [0,0,0,1,0,0|2,0,0]=3 8212 B10R1.17 OCCCN1CCOCC1 2230a_100015191051_100000230001 [0,0,0,1,0,0|2,0,0]=3 8213 B10R1.17 OCCCN1CCOCC1 269982a_100015191051_100011215043 [0,0,0,1,0,0|2,0,0]=3 8214 B10R1.17 OCCCN1CCOCC1 34a_100015191051_100000230001 [0,0,0,1,0,0|2,0,0]=3 8215 B10R1.17 OCCCN1CCSCC1 2230a_100000737611_100000230001 [0,0,0,1,0,0|2,0,0]=3 8216 B10R1.17 OCCCN1CCSCC1 269982a_100000737611_100011215043 [0,0,0,1,0,0|2,0,0]=3 8217 B10R1.17 OCCNC1C=CCCC1 2230a_100016997473_100000751183 [0,0,0,1,0,0|1,0,2]=4 8218 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [0,0,0,1,0,0|1,0,0]=2 8219 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [0,0,0,1,0,0|1,0,0]=2 8220 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [0,0,0,1,0,0|1,0,0]=2 8221 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [0,0,0,1,0,0|1,0,0]=2 8222 B10R1.17 OCCNC1CCCOC1 2230a_100000719290_100000211926 [0,0,0,1,0,0|2,0,0]=3 8223 B10R1.17 OCCNC1CCCOC1 270004a_100000210304_100000753404 [0,0,0,1,0,0|2,0,0]=3 8224 B10R1.17 OCCNC1CCCOC1 34a_100000719290_100000211926 [0,0,0,1,0,0|2,0,0]=3 8225 B10R1.17 OCCNC1CCCOC1 34a_100016990907_100000693364 [0,0,0,1,0,0|2,0,0]=3 8226 B10R1.17 OCCNC1CCCSC1 270004a_100000210304_100000057913 [0,0,0,1,0,0|2,0,0]=3 8227 B10R1.17 OCCNC1CCNCC1 270004a_100000210304_100015192401 [0,0,0,1,0,0|2,0,0]=3 8228 B10R1.17 OCCNC1CCOCC1 2230a_100000741149_100000211926 [0,0,0,1,0,0|2,0,0]=3 8229 B10R1.17 OCCNC1CCOCC1 270004a_100000210304_100011217826 [0,0,0,1,0,0|2,0,0]=3 8230 B10R1.17 OCCNC1CCOCC1 34a_100000741149_100000211926 [0,0,0,1,0,0|2,0,0]=3 8231 B10R1.17 OCCNC1CCSCC1 2230a_100000748639_100000211926 [0,0,0,1,0,0|2,0,0]=3 8232 B10R1.17 OCCNC1CCSCC1 270004a_100000210304_100000203788 [0,0,0,1,0,0|2,0,0]=3 8233 B10R1.17 OCCNC1CCSCC1 34a_100000748639_100000211926 [0,0,0,1,0,0|2,0,0]=3 8234 B10R1.17 OCCNC1CCSCC1 34a_100016990907_100000069128 [0,0,0,1,0,0|2,0,0]=3 8235 B10R1.17 OCCOC1C=CCCC1 34a_100011215024_100000211926 [0,0,0,1,0,0|1,0,2]=4 8236 B10R1.17 OCCOC1CC=CCC1 34a_100000073881_100000211926 [0,0,0,1,0,0|1,0,2]=4 8237 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [0,0,0,1,0,0|1,0,0]=2 8238 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [0,0,0,1,0,0|1,0,0]=2 8239 B10R1.17 OCCOC1CCCCO1 34a_100000033831_100000211926 [0,0,0,1,0,0|2,0,0]=3 8240 B10R1.17 OCCOC1CCCOC1 34a_100000754041_100000211926 [0,0,0,1,0,0|2,0,0]=3 8241 B10R1.17 OCCOC1CCCSC1 7a_100015962668_100000211926 [0,0,0,1,0,0|2,0,0]=3 8242 B10R1.17 OCCOC1CCOCC1 34a_100000744328_100000211926 [0,0,0,1,0,0|2,0,0]=3 8243 B10R1.17 OCCOC1CCSCC1 34a_100000731022_100000211926 [0,0,0,1,0,0|2,0,0]=3 8244 B10R1.17 OCCOC1CCSCC1 7a_100000731022_100000211926 [0,0,0,1,0,0|2,0,0]=3 8245 B10R1.17 OCCSC1C=CCCC1 62a_100000211926_100000751183 [0,0,0,1,0,0|1,0,2]=4 8246 B10R1.17 OCCSC1C=CCCC1 62a_100000751183_100000211926 [0,0,0,1,0,0|1,0,2]=4 8247 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [0,0,0,1,0,0|1,0,0]=2 8248 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [0,0,0,1,0,0|1,0,0]=2 8249 B10R1.17 OCCSC1CCCOC1 62a_100000211926_100000693364 [0,0,0,1,0,0|2,0,0]=3 8250 B10R1.17 OCCSC1CCOCC1 62a_100000211926_100011324220 [0,0,0,1,0,0|2,0,0]=3 8251 B10R1.17 OCCSC1CCSCC1 62a_100000211926_100000069128 [0,0,0,1,0,0|2,0,0]=3 8252 B10R1.17 [13CH3]NCCC1=CCCCC1 2230a_100000212019_200025704644 [0,0,0,1,0,0|2,0,1]=4 8253 B10R1.17 [13CH3]NCCC1=CCCCC1 34a_100000212019_200025704644 [0,0,0,1,0,0|2,0,1]=4 8254 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [0,0,0,1,0,0|2,0,0]=3 8255 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [0,0,0,1,0,0|2,0,0]=3 8256 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [0,0,0,1,0,0|1,0,0]=2 8257 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [0,0,0,1,0,0|1,0,0]=2 8258 B10R1.17 [13CH3]NCCC1CCOCC1 2230a_100000755988_200025704644 [0,0,0,1,0,0|3,0,0]=4 8259 B10R1.17 [13CH3]NCCC1CCOCC1 34a_100000755988_200025704644 [0,0,0,1,0,0|3,0,0]=4 8260 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [0,0,0,1,0,0|2,0,0]=3 8261 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [0,0,0,1,0,0|2,0,0]=3 8262 B10R1.17 [13CH3]OCCC1CCCCN1 34a_100000211664_200025704644 [0,0,0,1,0,0|2,0,0]=3 8263 B10R1.17 [13CH3]OCCC1CCCNC1 34a_100000752241_200025704644 [0,0,0,1,0,0|3,0,0]=4 8264 B10R1.17 [13CH3]OCCC1CCNCC1 34a_100015190746_200025704644 [0,0,0,1,0,0|3,0,0]=4 8265 B10R1.17 [13CH3]OCCC1CCOCC1 34a_100011933979_200025704644 [0,0,0,1,0,0|3,0,0]=4 8266 B10R1.17 [13CH3]OCCC1CCOCC1 7a_100011933979_200025704644 [0,0,0,1,0,0|3,0,0]=4 8267 B10R1.17 [13CH3]OCCC1SCCCS1 34a_200011025297_200025704644 [0,0,0,1,0,0|2,1,0]=4 8268 B10R1.17 [13CH3]OCCC1SCCCS1 7a_200011025297_200025704644 [0,0,0,1,0,0|2,1,0]=4 8269 B10R1.17 [13CH3]OCC[C@@H]1CNCCN1 34a_100016989929_200025704644 [0,0,0,1,0,0|3,0,0]=4 8270 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [0,0,0,1,0,0|2,0,0]=3 8271 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [0,0,0,1,0,0|2,0,0]=3 8272 B10R1.17 [13CH3]SCCC1CCOCC1 62a_100011934994_200025704644 [0,0,0,1,0,0|3,0,0]=4 8273 B10R1.17 [13CH3]SCCC1CCOCC1 62a_200025704644_100011934994 [0,0,0,1,0,0|3,0,0]=4 8274 B10R1.17 [13CH3]SCCC1OCCCO1 62a_100000764188_200025704644 [0,0,0,1,0,0|2,0,0]=3 8275 B10R1.17 [13CH3]SCCC1OCCCO1 62a_200025704644_100000764188 [0,0,0,1,0,0|2,0,0]=3 8276 B10R1.17 [13CH3]SCCN1CCCCC1 62a_100000739454_200025704644 [0,0,0,1,0,0|3,0,0]=4 8277 B10R1.17 [13CH3]SCCN1CCCCC1 62a_200025704644_100000739454 [0,0,0,1,0,0|3,0,0]=4 8278 B10R1.17 [13CH3]SCOC1CCCCC1 62a_100011935260_200025704644 [0,0,0,1,0,0|3,0,0]=4 8279 B10R1.17 [13CH3]SCOC1CCCCC1 62a_200025704644_100011935260 [0,0,0,1,0,0|3,0,0]=4 8280 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,0,0,1,0,0|1,0,2]=4 8281 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,0,0,1,0,0|1,0,2]=4 8282 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,0,0,1,0,0|1,0,2]=4 8283 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,0,0,1,0,0|1,0,2]=4 8284 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,0,0,1,0,0|1,0,2]=4 8285 B10R1.20 C#CC1CCCCN1CC 2230a_200020621307_100000210202 [0,0,0,1,0,0|2,0,1]=4 8286 B10R1.20 C#CC1CCCCN1CC 269982a_200020621307_100000204670 [0,0,0,1,0,0|2,0,1]=4 8287 B10R1.20 C#CC1CCCCN1CC 34a_200020621307_100000210202 [0,0,0,1,0,0|2,0,1]=4 8288 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [0,0,0,1,0,0|2,0,0]=3 8289 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [0,0,0,1,0,0|2,0,0]=3 8290 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [0,0,0,1,0,0|2,0,0]=3 8291 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [0,0,0,1,0,0|2,0,0]=3 8292 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [0,0,0,1,0,0|2,0,0]=3 8293 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [0,0,0,1,0,0|2,0,0]=3 8294 B10R1.20 CCC1CCCCN1CC 2230a_100000210034_100000210202 [0,0,0,1,0,0|2,0,0]=3 8295 B10R1.20 CCC1CCCCN1CC 269982a_100000210034_100000204670 [0,0,0,1,0,0|2,0,0]=3 8296 B10R1.20 CCC1CCCCN1CC 34a_100000210034_100000210202 [0,0,0,1,0,0|2,0,0]=3 8297 B10R1.20 CCC1CCCCN1CF 269982a_100000210034_100015361967 [0,0,0,1,0,0|2,0,0]=3 8298 B10R1.20 CCC1CCCCN1CF 34a_100000210034_100015361967 [0,0,0,1,0,0|2,0,0]=3 8299 B10R1.20 CCN1CCCCC1C#N 34a_100016989756_100000210202 [0,0,0,1,0,0|2,0,1]=4 8300 B10R1.20 CCN1CCCCC1CO 2230a_100000210821_100000210202 [0,0,0,1,0,0|1,0,0]=2 8301 B10R1.20 CCN1CCCCC1CO 269982a_100000210821_100000204670 [0,0,0,1,0,0|1,0,0]=2 8302 B10R1.20 CCN1CCCCC1CO 34a_100000210821_100000210202 [0,0,0,1,0,0|1,0,0]=2 8303 B10R1.20 CCN1CCOC[C@H]1CO 2230a_100000717676_100000210202 [0,0,0,1,0,0|2,0,0]=3 8304 B10R1.20 CCN1CCOC[C@H]1CO 269982a_100000717676_100000204670 [0,0,0,1,0,0|2,0,0]=3 8305 B10R1.20 CCN1CCOC[C@H]1CO 34a_100000717676_100000210202 [0,0,0,1,0,0|2,0,0]=3 8306 B10R1.20 CC[C@H]1COCCN1CC 2230a_100016988097_100000210202 [0,0,0,1,0,0|3,0,0]=4 8307 B10R1.20 CC[C@H]1COCCN1CC 269982a_100016988097_100000204670 [0,0,0,1,0,0|3,0,0]=4 8308 B10R1.20 CC[C@H]1COCCN1CC 34a_100016988097_100000210202 [0,0,0,1,0,0|3,0,0]=4 8309 B10R1.20 CC[C@H]1COCCN1CF 269982a_100016988097_100015361967 [0,0,0,1,0,0|3,0,0]=4 8310 B10R1.20 CC[C@H]1COCCN1CF 34a_100016988097_100015361967 [0,0,0,1,0,0|3,0,0]=4 8311 B10R1.20 CNC1CCCCC1CO 270004a_106832991635_100009861125 [0,0,0,1,0,0|1,0,0]=2 8312 B10R1.20 CNC1CCCCC1OC 270004a_106832991635_100000740605 [0,0,0,1,0,0|3,0,0]=4 8313 B10R1.20 CNC1CCCCC1OC 34a_100011208099_200000210301 [0,0,0,1,0,0|3,0,0]=4 8314 B10R1.20 CNC1CCOCC1CO 2230a_214813039666_200000210301 [0,0,0,1,0,0|2,0,0]=3 8315 B10R1.20 CNC1CCOCC1CO 34a_214813039666_200000210301 [0,0,0,1,0,0|2,0,0]=3 8316 B10R1.20 CN[C@@H]1CCCC[C@H]1OC 34a_100000708425_200000210301 [0,0,0,1,0,0|3,0,0]=4 8317 B10R1.20 CN[C@@H]1CCCC[C@H]1O[13CH3] 34a_100000708425_200025704644 [0,0,0,1,0,0|3,0,0]=4 8318 B10R1.20 COC1CCCCC1CN 34a_100011216029_200000210301 [0,0,0,1,0,0|2,0,0]=3 8319 B10R1.20 COC1CCCCC1N[13CH3] 34a_100011208099_200025704644 [0,0,0,1,0,0|3,0,0]=4 8320 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_200000210301 [0,0,0,1,0,0|3,0,0]=4 8321 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_200000210301 [0,0,0,1,0,0|3,0,0]=4 8322 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 34a_200009815850_200025704644 [0,0,0,1,0,0|3,0,0]=4 8323 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 7a_200009815850_200025704644 [0,0,0,1,0,0|3,0,0]=4 8324 B10R1.20 OCC1CCCCN1CF 269982a_100000210821_100015361967 [0,0,0,1,0,0|2,0,0]=3 8325 B10R1.20 OCC1CCCCN1CF 34a_100000210821_100015361967 [0,0,0,1,0,0|2,0,0]=3 8326 B10R1.20 OC[C@@H]1COCCN1CF 269982a_100000717676_100015361967 [0,0,0,1,0,0|3,0,0]=4 8327 B10R1.20 OC[C@@H]1COCCN1CF 34a_100000717676_100015361967 [0,0,0,1,0,0|3,0,0]=4 8328 B10R1.20 [13CH3]NC1CCOCC1CO 2230a_214813039666_200025704644 [0,0,0,1,0,0|2,0,0]=3 8329 B10R1.20 [13CH3]NC1CCOCC1CO 34a_214813039666_200025704644 [0,0,0,1,0,0|2,0,0]=3 8330 B10R1.20 [13CH3]OC1CCCCC1CN 34a_100011216029_200025704644 [0,0,0,1,0,0|2,0,0]=3 8331 B10R1.21 BrCCCOC1CCCC1 34a_100011217188_100000179811 [0,0,0,1,0,0|2,0,0]=3 8332 B10R1.21 BrCCCOC1CCOC1 34a_100011217188_100000690089 [0,0,0,1,0,0|3,0,0]=4 8333 B10R1.21 BrCCOCC1CCCC1 34a_100000211926_100000740388 [0,0,0,1,0,0|2,0,0]=3 8334 B10R1.21 BrCCOCC1CCOC1 34a_100000211926_100011261433 [0,0,0,1,0,0|3,0,0]=4 8335 B10R1.21 BrCCOCC1OCCO1 34a_100000211926_100000755774 [0,0,0,1,0,0|3,0,0]=4 8336 B10R1.21 C#CCCCN1CCCC1 2230a_100000188435_100000731252 [0,0,0,1,0,0|2,0,1]=4 8337 B10R1.21 C#CCCCN1CCCC1 269982a_100000188435_100011215417 [0,0,0,1,0,0|2,0,1]=4 8338 B10R1.21 C#CCCNC1CCCC1 2230a_100000211070_100000688953 [0,0,0,1,0,0|2,0,1]=4 8339 B10R1.21 C#CCCNC1CCCC1 34a_100000211070_100000688953 [0,0,0,1,0,0|2,0,1]=4 8340 B10R1.21 C#CCCNC1CCCC1 34a_100000755551_100000179811 [0,0,0,1,0,0|2,0,1]=4 8341 B10R1.21 C#CCCOC1CCCC1 34a_100000210269_100000688953 [0,0,0,1,0,0|2,0,1]=4 8342 B10R1.21 C#CCCOC1CCCC1 34a_100011215631_100000179811 [0,0,0,1,0,0|2,0,1]=4 8343 B10R1.21 C#CCCOC1CCCC1 7a_100000210269_100000688953 [0,0,0,1,0,0|2,0,1]=4 8344 B10R1.21 C#CCCOC1CCCO1 34a_100000085407_100000688953 [0,0,0,1,0,0|1,0,2]=4 8345 B10R1.21 C#CCCSC1CCCC1 62a_100000688953_100000179811 [0,0,0,1,0,0|2,0,1]=4 8346 B10R1.21 C#CCCSC1CCCC1 62a_100011217020_100000688953 [0,0,0,1,0,0|2,0,1]=4 8347 B10R1.21 C#CCNCC1CCCC1 2230a_100000737975_100000038162 [0,0,0,1,0,0|2,0,1]=4 8348 B10R1.21 C#CCNCC1CCCC1 34a_100000212058_100000740388 [0,0,0,1,0,0|2,0,1]=4 8349 B10R1.21 C#CCNCC1CCCC1 34a_100000737975_100000184674 [0,0,0,1,0,0|2,0,1]=4 8350 B10R1.21 C#CCNC[C@@H]1CCCO1 2230a_100020590478_100000038162 [0,0,0,1,0,0|1,0,2]=4 8351 B10R1.21 C#CCNC[C@@H]1CCCO1 34a_100020590478_100000184674 [0,0,0,1,0,0|1,0,2]=4 8352 B10R1.21 C#CCOCC1CCCC1 34a_100000210247_100000740388 [0,0,0,1,0,0|2,0,1]=4 8353 B10R1.21 C#CCOCC1CCCC1 34a_100000742336_100000184674 [0,0,0,1,0,0|2,0,1]=4 8354 B10R1.21 C#CCOCC1CCCC1 7a_100000742336_100000038162 [0,0,0,1,0,0|2,0,1]=4 8355 B10R1.21 C#CCOCC1CCCO1 34a_100000210270_100000184674 [0,0,0,1,0,0|1,0,2]=4 8356 B10R1.21 C#CCOCC1CCCO1 7a_100000210270_100000038162 [0,0,0,1,0,0|1,0,2]=4 8357 B10R1.21 C#CCSCC1CCCC1 62a_100000038162_100000740388 [0,0,0,1,0,0|2,0,1]=4 8358 B10R1.21 C#CCSCC1CCCO1 62a_100000038162_100000203698 [0,0,0,1,0,0|1,0,2]=4 8359 B10R1.21 C/C=C/COC1CCCO1 34a_100000085407_100102629194 [0,0,0,1,0,0|1,0,2]=4 8360 B10R1.21 C=CCCCN1CCCC1 2230a_100000188435_100011713584 [0,0,0,1,0,0|2,0,1]=4 8361 B10R1.21 C=CCCCN1CCCC1 269982a_100000188435_100000757094 [0,0,0,1,0,0|2,0,1]=4 8362 B10R1.21 C=CCCNC1CCCC1 2230a_100000211070_100000754431 [0,0,0,1,0,0|2,0,1]=4 8363 B10R1.21 C=CCCNC1CCCC1 2230a_100015191253_100000179811 [0,0,0,1,0,0|2,0,1]=4 8364 B10R1.21 C=CCCNC1CCCC1 270004a_100015191253_100000210133 [0,0,0,1,0,0|2,0,1]=4 8365 B10R1.21 C=CCCNC1CCCC1 34a_100000211070_100000754431 [0,0,0,1,0,0|2,0,1]=4 8366 B10R1.21 C=CCCOC1CCCC1 34a_100000210269_100000754431 [0,0,0,1,0,0|2,0,1]=4 8367 B10R1.21 C=CCCOC1CCCC1 34a_100011205117_100000179811 [0,0,0,1,0,0|2,0,1]=4 8368 B10R1.21 C=CCCOC1CCCC1 7a_100000210269_100000754431 [0,0,0,1,0,0|2,0,1]=4 8369 B10R1.21 C=CCCOC1CCCO1 34a_100000085407_100000754431 [0,0,0,1,0,0|1,0,2]=4 8370 B10R1.21 C=CCCSC1CCCC1 62a_100000754431_100000179811 [0,0,0,1,0,0|2,0,1]=4 8371 B10R1.21 C=CCCSC1CCCC1 62a_100011217020_100000754431 [0,0,0,1,0,0|2,0,1]=4 8372 B10R1.21 C=CCNCC1CCCC1 2230a_100000737975_100000210623 [0,0,0,1,0,0|2,0,1]=4 8373 B10R1.21 C=CCNCC1CCCC1 2230a_100020586998_100000740388 [0,0,0,1,0,0|2,0,1]=4 8374 B10R1.21 C=CCNCC1CCCC1 34a_100000737975_100015514636 [0,0,0,1,0,0|2,0,1]=4 8375 B10R1.21 C=CCNCC1CCCO1 2230a_100020586998_100000203698 [0,0,0,1,0,0|1,0,2]=4 8376 B10R1.21 C=CCNC[C@@H]1CCCO1 2230a_100020590478_100000210623 [0,0,0,1,0,0|1,0,2]=4 8377 B10R1.21 C=CCNC[C@@H]1CCCO1 34a_100020590478_100015514636 [0,0,0,1,0,0|1,0,2]=4 8378 B10R1.21 C=CCOCC1CCCC1 34a_100000742336_100015514636 [0,0,0,1,0,0|2,0,1]=4 8379 B10R1.21 C=CCOCC1CCCC1 34a_200000210373_100000740388 [0,0,0,1,0,0|2,0,1]=4 8380 B10R1.21 C=CCOCC1CCCC1 7a_100000742336_100015514636 [0,0,0,1,0,0|2,0,1]=4 8381 B10R1.21 C=CCOCC1CCCO1 34a_100000210270_100015514636 [0,0,0,1,0,0|1,0,2]=4 8382 B10R1.21 C=CCOCC1CCCO1 7a_100000210270_100015514636 [0,0,0,1,0,0|1,0,2]=4 8383 B10R1.21 C=CCSCC1CCCC1 62a_100000210623_100000740388 [0,0,0,1,0,0|2,0,1]=4 8384 B10R1.21 C=CCSCC1CCCC1 62a_100000740388_100000210623 [0,0,0,1,0,0|2,0,1]=4 8385 B10R1.21 C=CCSCC1CCCO1 62a_100000203698_100000210623 [0,0,0,1,0,0|1,0,2]=4 8386 B10R1.21 C=CCSCC1CCCO1 62a_100000210623_100000203698 [0,0,0,1,0,0|1,0,2]=4 8387 B10R1.21 CC#CCOC1CCCO1 34a_100000085407_100000748600 [0,0,0,1,0,0|1,0,2]=4 8388 B10R1.21 CC=CCOC1CCCO1 34a_100000085407_100000070051 [0,0,0,1,0,0|1,0,2]=4 8389 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [0,0,0,1,0,0|2,0,0]=3 8390 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [0,0,0,1,0,0|2,0,0]=3 8391 B10R1.21 CCCCCN1CCSC1 2230a_100011215254_100000210326 [0,0,0,1,0,0|3,0,0]=4 8392 B10R1.21 CCCCCN1CCSC1 269982a_100011215254_100000210215 [0,0,0,1,0,0|3,0,0]=4 8393 B10R1.21 CCCCNC1CCCC1 2230a_100000102301_100000179811 [0,0,0,1,0,0|2,0,0]=3 8394 B10R1.21 CCCCNC1CCCC1 2230a_100000211070_100000210211 [0,0,0,1,0,0|2,0,0]=3 8395 B10R1.21 CCCCNC1CCCC1 270004a_100000102301_100000210133 [0,0,0,1,0,0|2,0,0]=3 8396 B10R1.21 CCCCNC1CCCC1 34a_100000211070_100000210210 [0,0,0,1,0,0|2,0,0]=3 8397 B10R1.21 CCCCNC1CCCC1 7a_106832991798_100000179811 [0,0,0,1,0,0|2,0,0]=3 8398 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [0,0,0,1,0,0|3,0,0]=4 8399 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [0,0,0,1,0,0|3,0,0]=4 8400 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [0,0,0,1,0,0|3,0,0]=4 8401 B10R1.21 CCCCNC1CCSC1 270004a_100000102301_100000212027 [0,0,0,1,0,0|3,0,0]=4 8402 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [0,0,0,1,0,0|3,0,0]=4 8403 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [0,0,0,1,0,0|3,0,0]=4 8404 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [0,0,0,1,0,0|3,0,0]=4 8405 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [0,0,0,1,0,0|2,0,0]=3 8406 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [0,0,0,1,0,0|2,0,0]=3 8407 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [0,0,0,1,0,0|2,0,0]=3 8408 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [0,0,0,1,0,0|2,0,0]=3 8409 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [0,0,0,1,0,0|1,0,0]=2 8410 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [0,0,0,1,0,0|3,0,0]=4 8411 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [0,0,0,1,0,0|3,0,0]=4 8412 B10R1.21 CCCCOC1CCSC1 7a_100011232664_100000210211 [0,0,0,1,0,0|3,0,0]=4 8413 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [0,0,0,1,0,0|3,0,0]=4 8414 B10R1.21 CCCCSC1CCCC1 62a_100000210211_100000179811 [0,0,0,1,0,0|2,0,0]=3 8415 B10R1.21 CCCCSC1CCCC1 62a_100011217020_100000210210 [0,0,0,1,0,0|2,0,0]=3 8416 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [0,0,0,1,0,0|3,0,0]=4 8417 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [0,0,0,1,0,0|2,0,0]=3 8418 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [0,0,0,1,0,0|2,0,0]=3 8419 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [0,0,0,1,0,0|2,0,0]=3 8420 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [0,0,0,1,0,0|3,0,0]=4 8421 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [0,0,0,1,0,0|3,0,0]=4 8422 B10R1.21 CCCNCC1OCCO1 2230a_100000036311_100000210303 [0,0,0,1,0,0|2,0,0]=3 8423 B10R1.21 CCCNCC1OCCO1 34a_100000036311_100000210303 [0,0,0,1,0,0|2,0,0]=3 8424 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [0,0,0,1,0,0|1,0,0]=2 8425 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [0,0,0,1,0,0|1,0,0]=2 8426 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [0,0,0,1,0,0|2,0,0]=3 8427 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [0,0,0,1,0,0|2,0,0]=3 8428 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [0,0,0,1,0,0|2,0,0]=3 8429 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [0,0,0,1,0,0|1,0,0]=2 8430 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [0,0,0,1,0,0|1,0,0]=2 8431 B10R1.21 CCCOCC1CCNC1 34a_100000748654_100000210303 [0,0,0,1,0,0|3,0,0]=4 8432 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [0,0,0,1,0,0|3,0,0]=4 8433 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [0,0,0,1,0,0|3,0,0]=4 8434 B10R1.21 CCCOCC1COCO1 34a_100011216627_100000210303 [0,0,0,1,0,0|2,0,0]=3 8435 B10R1.21 CCCOCC1OCCO1 34a_100000087154_100000210303 [0,0,0,1,0,0|2,0,0]=3 8436 B10R1.21 CCCOCC1OCCO1 34a_100000210258_100000755774 [0,0,0,1,0,0|2,0,0]=3 8437 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [0,0,0,1,0,0|2,0,0]=3 8438 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [0,0,0,1,0,0|2,0,0]=3 8439 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [0,0,0,1,0,0|2,0,0]=3 8440 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [0,0,0,1,0,0|1,0,0]=2 8441 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [0,0,0,1,0,0|1,0,0]=2 8442 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [0,0,0,1,0,0|3,0,0]=4 8443 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [0,0,0,1,0,0|3,0,0]=4 8444 B10R1.21 CCCSCC1OCCO1 62a_100000210303_100000755774 [0,0,0,1,0,0|2,0,0]=3 8445 B10R1.21 CCCSCC1OCCO1 62a_100000755774_100000210303 [0,0,0,1,0,0|2,0,0]=3 8446 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [0,0,0,1,0,0|2,0,0]=3 8447 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [0,0,0,1,0,0|2,0,0]=3 8448 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [0,0,0,1,0,0|2,0,0]=3 8449 B10R1.21 CCNCCC1OCCO1 2230a_100000034215_100000210202 [0,0,0,1,0,0|2,0,0]=3 8450 B10R1.21 CCNCCC1OCCO1 2230a_100015525214_100000740749 [0,0,0,1,0,0|2,0,0]=3 8451 B10R1.21 CCNCCC1OCCO1 34a_100000034215_100000210202 [0,0,0,1,0,0|2,0,0]=3 8452 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [0,0,0,1,0,0|2,0,0]=3 8453 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [0,0,0,1,0,0|2,0,0]=3 8454 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [0,0,0,1,0,0|2,0,0]=3 8455 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [0,0,0,1,0,0|3,0,0]=4 8456 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [0,0,0,1,0,0|3,0,0]=4 8457 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [0,0,0,1,0,0|2,0,0]=3 8458 B10R1.21 CCOCCN1CCCC1 2230a_100000188435_100011215890 [0,0,0,1,0,0|3,0,0]=4 8459 B10R1.21 CCOCCN1CCCC1 269982a_100000188435_100011215890 [0,0,0,1,0,0|3,0,0]=4 8460 B10R1.21 CCOCSC1CCCC1 62a_100000739092_100000179811 [0,0,0,1,0,0|3,0,0]=4 8461 B10R1.21 CCOCSC1CCCC1 62a_100011217020_100000739092 [0,0,0,1,0,0|3,0,0]=4 8462 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [0,0,0,1,0,0|2,0,0]=3 8463 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [0,0,0,1,0,0|2,0,0]=3 8464 B10R1.21 CCSCCC1OCCO1 62a_100000210202_100000740749 [0,0,0,1,0,0|2,0,0]=3 8465 B10R1.21 CCSCCN1CCCC1 2230a_100000188435_100000757381 [0,0,0,1,0,0|3,0,0]=4 8466 B10R1.21 CCSCCN1CCCC1 269982a_100000188435_100000757381 [0,0,0,1,0,0|3,0,0]=4 8467 B10R1.21 CCSCCN1CCCC1 62a_100000210202_100000004467 [0,0,0,1,0,0|3,0,0]=4 8468 B10R1.21 CCSCCN1CCCC1 62a_100000700749_100000210202 [0,0,0,1,0,0|3,0,0]=4 8469 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [0,0,0,1,0,0|2,0,0]=3 8470 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [0,0,0,1,0,0|2,0,0]=3 8471 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [0,0,0,1,0,0|2,0,0]=3 8472 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [0,0,0,1,0,0|2,0,0]=3 8473 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [0,0,0,1,0,0|2,0,0]=3 8474 B10R1.21 CNCCCC1OCCO1 2230a_106832991635_100000042513 [0,0,0,1,0,0|2,0,0]=3 8475 B10R1.21 CNCCCC1OCCO1 34a_100102657272_100009861162 [0,0,0,1,0,0|2,0,0]=3 8476 B10R1.21 CNCCCC1OCCO1 7a_106832991635_100000042513 [0,0,0,1,0,0|2,0,0]=3 8477 B10R1.21 CNCCCN1CCCC1 2230a_106832991635_100011445909 [0,0,0,1,0,0|3,0,0]=4 8478 B10R1.21 CNCCCN1CCCC1 34a_100102657272_100016991639 [0,0,0,1,0,0|3,0,0]=4 8479 B10R1.21 CNCCCN1CCCC1 7a_106832991635_100011445909 [0,0,0,1,0,0|3,0,0]=4 8480 B10R1.21 CNCCOC1CCCC1 34a_100000741755_200000210301 [0,0,0,1,0,0|3,0,0]=4 8481 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [0,0,0,1,0,0|2,0,0]=3 8482 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [0,0,0,1,0,0|2,0,0]=3 8483 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [0,0,0,1,0,0|2,0,0]=3 8484 B10R1.21 COCCCC1OCCO1 34a_100009871617_200000210301 [0,0,0,1,0,0|2,0,0]=3 8485 B10R1.21 COCCCC1OCCO1 34a_100138415774_100009861162 [0,0,0,1,0,0|2,0,0]=3 8486 B10R1.21 COCCCC1OCCO1 7a_100009871617_200000210301 [0,0,0,1,0,0|2,0,0]=3 8487 B10R1.21 COCCCN1CCCC1 2230a_100000188435_100000740836 [0,0,0,1,0,0|3,0,0]=4 8488 B10R1.21 COCCCN1CCCC1 269982a_100000188435_100000740836 [0,0,0,1,0,0|3,0,0]=4 8489 B10R1.21 COCCCN1CCCC1 34a_100138415774_100016991639 [0,0,0,1,0,0|3,0,0]=4 8490 B10R1.21 COCCNC1CCCC1 2230a_100000209980_100000179811 [0,0,0,1,0,0|3,0,0]=4 8491 B10R1.21 COCCNC1CCCC1 2230a_100000211070_100011201679 [0,0,0,1,0,0|3,0,0]=4 8492 B10R1.21 COCCNC1CCCC1 270004a_100000209980_100000210133 [0,0,0,1,0,0|3,0,0]=4 8493 B10R1.21 COCCNC1CCCC1 34a_100000211070_100011201679 [0,0,0,1,0,0|3,0,0]=4 8494 B10R1.21 COCCNC1CCCC1 34a_200000200444_200000210301 [0,0,0,1,0,0|3,0,0]=4 8495 B10R1.21 COCCOC1CCCC1 34a_100000210237_100000179811 [0,0,0,1,0,0|3,0,0]=4 8496 B10R1.21 COCCOC1CCCC1 34a_100000210269_100011201679 [0,0,0,1,0,0|3,0,0]=4 8497 B10R1.21 COCCOC1CCCC1 34a_100000738311_200000210301 [0,0,0,1,0,0|3,0,0]=4 8498 B10R1.21 COCCOC1CCCC1 7a_100000210269_100000233755 [0,0,0,1,0,0|3,0,0]=4 8499 B10R1.21 COCCOC1CCCC1 7a_100000738311_200000210301 [0,0,0,1,0,0|3,0,0]=4 8500 B10R1.21 COCCOC1CCCO1 34a_100000085407_100011201679 [0,0,0,1,0,0|2,0,0]=3 8501 B10R1.21 COCCSC1CCCC1 62a_100000233755_100000179811 [0,0,0,1,0,0|3,0,0]=4 8502 B10R1.21 COCCSC1CCCC1 62a_100011217020_100000233755 [0,0,0,1,0,0|3,0,0]=4 8503 B10R1.21 COCNCC1CCCC1 2230a_100000737975_100000766300 [0,0,0,1,0,0|3,0,0]=4 8504 B10R1.21 COCNCC1OCCO1 2230a_100000036311_100000766300 [0,0,0,1,0,0|3,0,0]=4 8505 B10R1.21 COCNC[C@@H]1CCCO1 2230a_100020590478_100000766300 [0,0,0,1,0,0|2,0,0]=3 8506 B10R1.21 COCSCC1CCCC1 62a_100000740388_100000766300 [0,0,0,1,0,0|3,0,0]=4 8507 B10R1.21 COCSCC1CCCC1 62a_100000766300_100000740388 [0,0,0,1,0,0|3,0,0]=4 8508 B10R1.21 COCSCC1CCCO1 62a_100000203698_100000766300 [0,0,0,1,0,0|2,0,0]=3 8509 B10R1.21 COCSCC1CCCO1 62a_100000766300_100000203698 [0,0,0,1,0,0|2,0,0]=3 8510 B10R1.21 COCSCC1OCCO1 62a_100000755774_100000766300 [0,0,0,1,0,0|3,0,0]=4 8511 B10R1.21 COCSCC1OCCO1 62a_100000766300_100000755774 [0,0,0,1,0,0|3,0,0]=4 8512 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [0,0,0,1,0,0|2,0,0]=3 8513 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [0,0,0,1,0,0|2,0,0]=3 8514 B10R1.21 CSCCCC1OCCO1 62a_200000210301_100000042513 [0,0,0,1,0,0|2,0,0]=3 8515 B10R1.21 CSCCCN1CCCC1 62a_100016991639_200000210301 [0,0,0,1,0,0|3,0,0]=4 8516 B10R1.21 CSCCCN1CCCC1 62a_200000210301_100011445909 [0,0,0,1,0,0|3,0,0]=4 8517 B10R1.21 CSCCNC1CCCC1 2230a_100000211070_100000751147 [0,0,0,1,0,0|3,0,0]=4 8518 B10R1.21 CSCCNC1CCCC1 2230a_100020590264_100000179811 [0,0,0,1,0,0|3,0,0]=4 8519 B10R1.21 CSCCNC1CCCC1 270004a_100020590264_100000210133 [0,0,0,1,0,0|3,0,0]=4 8520 B10R1.21 CSCCNC1CCCC1 34a_100000211070_100000212216 [0,0,0,1,0,0|3,0,0]=4 8521 B10R1.21 CSCCOC1CCCC1 34a_100000210269_100000212216 [0,0,0,1,0,0|3,0,0]=4 8522 B10R1.21 CSCCOC1CCCC1 34a_100000230434_100000179811 [0,0,0,1,0,0|3,0,0]=4 8523 B10R1.21 CSCCOC1CCCC1 7a_100000210269_100000212216 [0,0,0,1,0,0|3,0,0]=4 8524 B10R1.21 CSCCOC1CCCC1 7a_100000230434_100000179811 [0,0,0,1,0,0|3,0,0]=4 8525 B10R1.21 CSCCOC1CCCO1 34a_100000085407_100000212216 [0,0,0,1,0,0|2,0,0]=3 8526 B10R1.21 CSCCSC1CCCC1 62a_100000212216_100000179811 [0,0,0,1,0,0|3,0,0]=4 8527 B10R1.21 CSCCSC1CCCC1 62a_100011217020_100000751147 [0,0,0,1,0,0|3,0,0]=4 8528 B10R1.21 CSCNCC1CCCC1 2230a_100000737975_100011218213 [0,0,0,1,0,0|3,0,0]=4 8529 B10R1.21 CSCNCC1CCCC1 34a_100000737975_100011218213 [0,0,0,1,0,0|3,0,0]=4 8530 B10R1.21 CSCNCC1OCCO1 2230a_100000036311_100011218213 [0,0,0,1,0,0|3,0,0]=4 8531 B10R1.21 CSCNCC1OCCO1 34a_100000036311_100011218213 [0,0,0,1,0,0|3,0,0]=4 8532 B10R1.21 CSCNC[C@@H]1CCCO1 2230a_100020590478_100011218213 [0,0,0,1,0,0|2,0,0]=3 8533 B10R1.21 CSCNC[C@@H]1CCCO1 34a_100020590478_100011218213 [0,0,0,1,0,0|2,0,0]=3 8534 B10R1.21 CSCOCC1CCCC1 34a_100000742336_100011218213 [0,0,0,1,0,0|3,0,0]=4 8535 B10R1.21 CSCOCC1CCCO1 34a_100000210270_100011218213 [0,0,0,1,0,0|2,0,0]=3 8536 B10R1.21 CSCOCC1COCO1 34a_100011216627_100011218213 [0,0,0,1,0,0|3,0,0]=4 8537 B10R1.21 CSCOCC1OCCO1 34a_100000087154_100011218213 [0,0,0,1,0,0|3,0,0]=4 8538 B10R1.21 CSCOC[C@H]1CCCN1 34a_100000745186_100011218213 [0,0,0,1,0,0|3,0,0]=4 8539 B10R1.21 CSCSCC1CCCC1 62a_100000740388_100011218213 [0,0,0,1,0,0|3,0,0]=4 8540 B10R1.21 CSCSCC1CCCC1 62a_100011218213_100000740388 [0,0,0,1,0,0|3,0,0]=4 8541 B10R1.21 CSCSCC1CCCO1 62a_100000203698_100011218213 [0,0,0,1,0,0|2,0,0]=3 8542 B10R1.21 CSCSCC1CCCO1 62a_100011218213_100000203698 [0,0,0,1,0,0|2,0,0]=3 8543 B10R1.21 CSCSCC1OCCO1 62a_100000755774_100011218213 [0,0,0,1,0,0|3,0,0]=4 8544 B10R1.21 CSCSCC1OCCO1 62a_100011218213_100000755774 [0,0,0,1,0,0|3,0,0]=4 8545 B10R1.21 ClCCCOC1CCCC1 34a_100000230001_100000179811 [0,0,0,1,0,0|2,0,0]=3 8546 B10R1.21 ClCCCOC1CCOC1 34a_100000230001_100000690089 [0,0,0,1,0,0|3,0,0]=4 8547 B10R1.21 FCCCCN1CCCC1 2230a_100000188435_100000729493 [0,0,0,1,0,0|2,0,0]=3 8548 B10R1.21 FCCCCN1CCCC1 269982a_100000188435_100000729493 [0,0,0,1,0,0|2,0,0]=3 8549 B10R1.21 FCCCCN1CCSC1 2230a_100011215254_100000729493 [0,0,0,1,0,0|3,0,0]=4 8550 B10R1.21 FCCCCN1CCSC1 269982a_100011215254_100000729493 [0,0,0,1,0,0|3,0,0]=4 8551 B10R1.21 FCCCNC1CCCC1 2230a_100000211070_100011934791 [0,0,0,1,0,0|2,0,0]=3 8552 B10R1.21 FCCCNC1CCCC1 2230a_100015189416_100000179811 [0,0,0,1,0,0|2,0,0]=3 8553 B10R1.21 FCCCNC1CCCC1 270004a_100015189416_100000210133 [0,0,0,1,0,0|2,0,0]=3 8554 B10R1.21 FCCCNC1CCCC1 34a_100000211070_100011934791 [0,0,0,1,0,0|2,0,0]=3 8555 B10R1.21 FCCCNC1CCCC1 34a_100015189416_100000179811 [0,0,0,1,0,0|2,0,0]=3 8556 B10R1.21 FCCCNC1CCOC1 2230a_100015189416_100000731011 [0,0,0,1,0,0|3,0,0]=4 8557 B10R1.21 FCCCNC1CCOC1 270004a_100015189416_100000752484 [0,0,0,1,0,0|3,0,0]=4 8558 B10R1.21 FCCCNC1CCOC1 34a_100015189416_100000690089 [0,0,0,1,0,0|3,0,0]=4 8559 B10R1.21 FCCCNC1CCSC1 270004a_100015189416_100000212027 [0,0,0,1,0,0|3,0,0]=4 8560 B10R1.21 FCCCN[C@@H]1CCOC1 2230a_200015188469_100011934791 [0,0,0,1,0,0|3,0,0]=4 8561 B10R1.21 FCCCN[C@H]1CCOC1 2230a_100015188467_100011934791 [0,0,0,1,0,0|3,0,0]=4 8562 B10R1.21 FCCCN[C@H]1CCOC1 34a_100015188467_100011934791 [0,0,0,1,0,0|3,0,0]=4 8563 B10R1.21 FCCCOC1CCCC1 34a_100000210269_100011934791 [0,0,0,1,0,0|2,0,0]=3 8564 B10R1.21 FCCCOC1CCCC1 34a_100000759539_100000179811 [0,0,0,1,0,0|2,0,0]=3 8565 B10R1.21 FCCCOC1CCCC1 7a_100000210269_100011934791 [0,0,0,1,0,0|2,0,0]=3 8566 B10R1.21 FCCCOC1CCCO1 34a_100000085407_100011934791 [0,0,0,1,0,0|2,0,0]=3 8567 B10R1.21 FCCCOC1CCOC1 34a_100000759539_100000690089 [0,0,0,1,0,0|3,0,0]=4 8568 B10R1.21 FCCCOC1CCSC1 7a_100011232664_100011934791 [0,0,0,1,0,0|3,0,0]=4 8569 B10R1.21 FCCCO[C@H]1CCOC1 34a_100000717292_100011934791 [0,0,0,1,0,0|3,0,0]=4 8570 B10R1.21 FCCCSC1CCCC1 62a_100011217020_100011934791 [0,0,0,1,0,0|2,0,0]=3 8571 B10R1.21 FCCCSC1CCCC1 62a_100011934791_100000179811 [0,0,0,1,0,0|2,0,0]=3 8572 B10R1.21 FCCCSC1CCOC1 62a_100011934791_100000690089 [0,0,0,1,0,0|3,0,0]=4 8573 B10R1.21 FCCNCC1CCCC1 2230a_100000737975_100011217306 [0,0,0,1,0,0|2,0,0]=3 8574 B10R1.21 FCCNCC1CCCC1 269862a_100000724931_100000746403 [0,0,0,1,0,0|2,0,0]=3 8575 B10R1.21 FCCNCC1CCCC1 34a_100000724931_100000740388 [0,0,0,1,0,0|2,0,0]=3 8576 B10R1.21 FCCNCC1CCCC1 34a_100000737975_100011217306 [0,0,0,1,0,0|2,0,0]=3 8577 B10R1.21 FCCNCC1CCOC1 2230a_100000737293_100011217306 [0,0,0,1,0,0|3,0,0]=4 8578 B10R1.21 FCCNCC1CCOC1 34a_100000724931_100011261433 [0,0,0,1,0,0|3,0,0]=4 8579 B10R1.21 FCCNCC1CCOC1 34a_100000737293_100011217306 [0,0,0,1,0,0|3,0,0]=4 8580 B10R1.21 FCCNCC1OCCO1 2230a_100000036311_100011217306 [0,0,0,1,0,0|3,0,0]=4 8581 B10R1.21 FCCNCC1OCCO1 34a_100000036311_100011217306 [0,0,0,1,0,0|3,0,0]=4 8582 B10R1.21 FCCNCC1OCCO1 34a_100000724931_100000755774 [0,0,0,1,0,0|3,0,0]=4 8583 B10R1.21 FCCNC[C@@H]1CCCO1 2230a_100020590478_100011217306 [0,0,0,1,0,0|2,0,0]=3 8584 B10R1.21 FCCNC[C@@H]1CCCO1 34a_100020590478_100011217306 [0,0,0,1,0,0|2,0,0]=3 8585 B10R1.21 FCCOCC1CCCC1 34a_100000742336_100011217306 [0,0,0,1,0,0|2,0,0]=3 8586 B10R1.21 FCCOCC1CCCC1 7a_100000742336_100011217306 [0,0,0,1,0,0|2,0,0]=3 8587 B10R1.21 FCCOCC1CCCO1 34a_100000210270_100011217306 [0,0,0,1,0,0|2,0,0]=3 8588 B10R1.21 FCCOCC1CCCO1 7a_100000210270_100011217306 [0,0,0,1,0,0|2,0,0]=3 8589 B10R1.21 FCCOCC1CCNC1 34a_100000748654_100011217306 [0,0,0,1,0,0|3,0,0]=4 8590 B10R1.21 FCCOCC1CCOC1 34a_100000740260_100011217306 [0,0,0,1,0,0|3,0,0]=4 8591 B10R1.21 FCCOCC1COCO1 34a_100011216627_100011217306 [0,0,0,1,0,0|3,0,0]=4 8592 B10R1.21 FCCOCC1OCCO1 34a_100000087154_100011217306 [0,0,0,1,0,0|3,0,0]=4 8593 B10R1.21 FCCOC[C@H]1CCCN1 34a_100000745186_100011217306 [0,0,0,1,0,0|3,0,0]=4 8594 B10R1.21 FCCSCC1CCCC1 62a_100000740388_100011217306 [0,0,0,1,0,0|2,0,0]=3 8595 B10R1.21 FCCSCC1CCCC1 62a_100011217306_100000740388 [0,0,0,1,0,0|2,0,0]=3 8596 B10R1.21 FCCSCC1CCCO1 62a_100000203698_100011217306 [0,0,0,1,0,0|2,0,0]=3 8597 B10R1.21 FCCSCC1CCCO1 62a_100011217306_100000203698 [0,0,0,1,0,0|2,0,0]=3 8598 B10R1.21 FCCSCC1CCOC1 62a_100000702531_100011217306 [0,0,0,1,0,0|3,0,0]=4 8599 B10R1.21 FCCSCC1CCOC1 62a_100011217306_100000702531 [0,0,0,1,0,0|3,0,0]=4 8600 B10R1.21 FCCSCC1OCCO1 62a_100000755774_100011217306 [0,0,0,1,0,0|3,0,0]=4 8601 B10R1.21 FCCSCC1OCCO1 62a_100011217306_100000755774 [0,0,0,1,0,0|3,0,0]=4 8602 B10R1.21 FCNCCC1CCCC1 34a_100000739158_100015361967 [0,0,0,1,0,0|2,0,0]=3 8603 B10R1.21 FCNCCC1OCCO1 34a_100000034215_100015361967 [0,0,0,1,0,0|3,0,0]=4 8604 B10R1.21 FCOCCC1CCCC1 34a_100000749090_100015361967 [0,0,0,1,0,0|2,0,0]=3 8605 B10R1.21 FCOCCC1CCCC1 7a_100000749090_100015361967 [0,0,0,1,0,0|2,0,0]=3 8606 B10R1.21 FCOCCC1CCNC1 34a_100016987287_100015361967 [0,0,0,1,0,0|3,0,0]=4 8607 B10R1.21 FCOCCC1CCOC1 34a_100011879284_100015361967 [0,0,0,1,0,0|3,0,0]=4 8608 B10R1.21 FCSCCC1CCCC1 62a_100000760354_100015361967 [0,0,0,1,0,0|2,0,0]=3 8609 B10R1.21 FCSCCC1CCCC1 62a_100015361967_100000760354 [0,0,0,1,0,0|2,0,0]=3 8610 B10R1.21 FCSCCC1OCCO1 62a_100015361967_100000740749 [0,0,0,1,0,0|3,0,0]=4 8611 B10R1.21 FCSCCN1CCCC1 62a_100000700749_100015361967 [0,0,0,1,0,0|3,0,0]=4 8612 B10R1.21 FCSCCN1CCCC1 62a_100015361967_100000004467 [0,0,0,1,0,0|3,0,0]=4 8613 B10R1.21 N#CCCCN1CCCC1 2230a_100000188435_100000687738 [0,0,0,1,0,0|2,0,1]=4 8614 B10R1.21 N#CCCCN1CCCC1 269982a_100000188435_100000687738 [0,0,0,1,0,0|2,0,1]=4 8615 B10R1.21 N#CCCNC1CCCC1 2230a_100000211070_100011215226 [0,0,0,1,0,0|2,0,1]=4 8616 B10R1.21 N#CCCNC1CCCC1 270004a_100000720768_100000210133 [0,0,0,1,0,0|2,0,1]=4 8617 B10R1.21 N#CCCOC1CCCC1 7a_100000210269_100000184422 [0,0,0,1,0,0|2,0,1]=4 8618 B10R1.21 N#CCCSC1CCCC1 62a_100011215226_100000179811 [0,0,0,1,0,0|2,0,1]=4 8619 B10R1.21 N#CCCSC1CCCC1 62a_100011217020_100011215226 [0,0,0,1,0,0|2,0,1]=4 8620 B10R1.21 N#CCNCC1CCCC1 2230a_100000737975_100011215382 [0,0,0,1,0,0|2,0,1]=4 8621 B10R1.21 N#CCNC[C@@H]1CCCO1 2230a_100020590478_100011215382 [0,0,0,1,0,0|2,0,1]=4 8622 B10R1.21 N#CCOCC1CCCC1 7a_100000742336_100011215382 [0,0,0,1,0,0|2,0,1]=4 8623 B10R1.21 N#CCOCC1CCCO1 7a_100000210270_100011215382 [0,0,0,1,0,0|2,0,1]=4 8624 B10R1.21 N#CCSCC1CCCC1 62a_100000740388_100011215382 [0,0,0,1,0,0|2,0,1]=4 8625 B10R1.21 N#CCSCC1CCCC1 62a_100011215382_100000740388 [0,0,0,1,0,0|2,0,1]=4 8626 B10R1.21 N#CCSCC1CCCO1 62a_100000203698_100011215382 [0,0,0,1,0,0|2,0,1]=4 8627 B10R1.21 N#CCSCC1CCCO1 62a_100011215382_100000203698 [0,0,0,1,0,0|2,0,1]=4 8628 B10R1.21 NCCCOC1CCCC1 34a_100000182051_100000179811 [0,0,0,1,0,0|2,0,0]=3 8629 B10R1.21 NCCCOC1CCOC1 34a_100000182051_100000690089 [0,0,0,1,0,0|3,0,0]=4 8630 B10R1.21 NCCOCC1CCCC1 34a_100000210304_100000740388 [0,0,0,1,0,0|2,0,0]=3 8631 B10R1.21 NCCOCC1CCOC1 34a_100000210304_100011261433 [0,0,0,1,0,0|3,0,0]=4 8632 B10R1.21 NCCOCC1OCCO1 34a_100000210304_100000755774 [0,0,0,1,0,0|3,0,0]=4 8633 B10R1.21 NOCCOC1CCCC1 34a_100000700252_100000179811 [0,0,0,1,0,0|3,0,0]=4 8634 B10R1.21 O=CCCCN1CCCC1 2230a_100000188435_200011292268 [0,0,0,1,0,0|1,0,2]=4 8635 B10R1.21 O=CCCCN1CCCC1 269982a_100000188435_200011292268 [0,0,0,1,0,0|1,0,2]=4 8636 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [0,0,0,1,0,0|1,0,2]=4 8637 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [0,0,0,1,0,0|1,0,2]=4 8638 B10R1.21 O=CCNC[C@@H]1CCCO1 2230a_100020590478_200015260668 [0,0,0,1,0,0|2,0,1]=4 8639 B10R1.21 O=CCNC[C@@H]1CCCO1 34a_100020590478_200009817547 [0,0,0,1,0,0|2,0,1]=4 8640 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [0,0,0,1,0,0|1,0,2]=4 8641 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [0,0,0,1,0,0|1,0,2]=4 8642 B10R1.21 O=CCOCC1CCCO1 34a_100000210270_200009817547 [0,0,0,1,0,0|2,0,1]=4 8643 B10R1.21 O=CCOCC1CCCO1 7a_100000210270_200015260668 [0,0,0,1,0,0|2,0,1]=4 8644 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [0,0,0,1,0,0|1,0,2]=4 8645 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [0,0,0,1,0,0|1,0,2]=4 8646 B10R1.21 O=CCSCC1CCCO1 62a_100000203698_200015260668 [0,0,0,1,0,0|2,0,1]=4 8647 B10R1.21 O=CCSCC1CCCO1 62a_200015260668_100000203698 [0,0,0,1,0,0|2,0,1]=4 8648 B10R1.21 OCC#CCN1CCCC1 2230a_100000188435_200000047223 [0,0,0,1,0,0|1,0,2]=4 8649 B10R1.21 OCCCCN1CC=CC1 269982a_100015195280_100000210776 [0,0,0,1,0,0|1,0,2]=4 8650 B10R1.21 OCCCCN1CCCC1 2230a_100000188435_100000210776 [0,0,0,1,0,0|1,0,0]=2 8651 B10R1.21 OCCCCN1CCCC1 269982a_100000188435_100000210776 [0,0,0,1,0,0|1,0,0]=2 8652 B10R1.21 OCCCCN1CCSC1 2230a_100011215254_100000210776 [0,0,0,1,0,0|2,0,0]=3 8653 B10R1.21 OCCCCN1CCSC1 269982a_100011215254_100000210776 [0,0,0,1,0,0|2,0,0]=3 8654 B10R1.21 OCCCNC1CC=CC1 2230a_100015188752_100000230001 [0,0,0,1,0,0|1,0,2]=4 8655 B10R1.21 OCCCNC1CCCC1 2230a_100000211070_100000230001 [0,0,0,1,0,0|1,0,0]=2 8656 B10R1.21 OCCCNC1CCCC1 270004a_100000182051_100000210133 [0,0,0,1,0,0|1,0,0]=2 8657 B10R1.21 OCCCNC1CCCC1 34a_100000211070_100000230001 [0,0,0,1,0,0|1,0,0]=2 8658 B10R1.21 OCCCNC1CCOC1 270004a_100000182051_100000752484 [0,0,0,1,0,0|2,0,0]=3 8659 B10R1.21 OCCCNC1CCSC1 270004a_100000182051_100000212027 [0,0,0,1,0,0|2,0,0]=3 8660 B10R1.21 OCCCN[C@@H]1CCOC1 2230a_200015188469_100000230001 [0,0,0,1,0,0|2,0,0]=3 8661 B10R1.21 OCCCN[C@H]1CCOC1 2230a_100015188467_100000230001 [0,0,0,1,0,0|2,0,0]=3 8662 B10R1.21 OCCCN[C@H]1CCOC1 34a_100015188467_100000230001 [0,0,0,1,0,0|2,0,0]=3 8663 B10R1.21 OCCCOC1CCCC1 34a_100000210269_100000230001 [0,0,0,1,0,0|1,0,0]=2 8664 B10R1.21 OCCCOC1CCCC1 7a_100000210269_100011215043 [0,0,0,1,0,0|1,0,0]=2 8665 B10R1.21 OCCCOC1CCCO1 34a_100000085407_100000230001 [0,0,0,1,0,0|2,0,0]=3 8666 B10R1.21 OCCCOC1CCSC1 7a_100011232664_100011215043 [0,0,0,1,0,0|2,0,0]=3 8667 B10R1.21 OCCCO[C@H]1CCOC1 34a_100000717292_100000230001 [0,0,0,1,0,0|2,0,0]=3 8668 B10R1.21 OCCCSC1CCCC1 62a_100011215043_100000179811 [0,0,0,1,0,0|1,0,0]=2 8669 B10R1.21 OCCCSC1CCCC1 62a_100011217020_100011215043 [0,0,0,1,0,0|1,0,0]=2 8670 B10R1.21 OCCCSC1CCOC1 62a_100011215043_100000690089 [0,0,0,1,0,0|2,0,0]=3 8671 B10R1.21 OCCNCC1CCCC1 2230a_100000737975_100000211926 [0,0,0,1,0,0|1,0,0]=2 8672 B10R1.21 OCCNCC1CCCC1 2230a_100016997473_100000740388 [0,0,0,1,0,0|1,0,0]=2 8673 B10R1.21 OCCNCC1CCCC1 269862a_100000210304_100000746403 [0,0,0,1,0,0|1,0,0]=2 8674 B10R1.21 OCCNCC1CCCC1 34a_100000737975_100000211926 [0,0,0,1,0,0|1,0,0]=2 8675 B10R1.21 OCCNCC1CCCC1 34a_100016990907_100000740388 [0,0,0,1,0,0|1,0,0]=2 8676 B10R1.21 OCCNCC1CCCO1 2230a_100016997473_100000203698 [0,0,0,1,0,0|2,0,0]=3 8677 B10R1.21 OCCNCC1CCOC1 2230a_100000737293_100000211926 [0,0,0,1,0,0|2,0,0]=3 8678 B10R1.21 OCCNCC1CCOC1 2230a_100016997473_100000702531 [0,0,0,1,0,0|2,0,0]=3 8679 B10R1.21 OCCNCC1CCOC1 34a_100000737293_100000211926 [0,0,0,1,0,0|2,0,0]=3 8680 B10R1.21 OCCNCC1CCOC1 34a_100016990907_100011261433 [0,0,0,1,0,0|2,0,0]=3 8681 B10R1.21 OCCNCC1OCCO1 2230a_100000036311_100000211926 [0,0,0,1,0,0|3,0,0]=4 8682 B10R1.21 OCCNCC1OCCO1 2230a_100016997473_100000755774 [0,0,0,1,0,0|3,0,0]=4 8683 B10R1.21 OCCNCC1OCCO1 34a_100000036311_100000211926 [0,0,0,1,0,0|3,0,0]=4 8684 B10R1.21 OCCNCC1OCCO1 34a_100016990907_100000755774 [0,0,0,1,0,0|3,0,0]=4 8685 B10R1.21 OCCNC[C@@H]1CCCO1 2230a_100020590478_100000211926 [0,0,0,1,0,0|2,0,0]=3 8686 B10R1.21 OCCNC[C@@H]1CCCO1 34a_100020590478_100000211926 [0,0,0,1,0,0|2,0,0]=3 8687 B10R1.21 OCCNN=C1CCCC1 4a_100000210001_100000210133 [0,0,0,1,0,0|2,0,1]=4 8688 B10R1.21 OCCOCC1CC=CC1 34a_100000688395_100000211926 [0,0,0,1,0,0|1,0,2]=4 8689 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [0,0,0,1,0,0|1,0,0]=2 8690 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [0,0,0,1,0,0|1,0,0]=2 8691 B10R1.21 OCCOCC1CCCO1 34a_100000210270_100000211926 [0,0,0,1,0,0|2,0,0]=3 8692 B10R1.21 OCCOCC1CCCO1 7a_100000210270_100000211926 [0,0,0,1,0,0|2,0,0]=3 8693 B10R1.21 OCCOCC1CCNC1 34a_100000748654_100000211926 [0,0,0,1,0,0|2,0,0]=3 8694 B10R1.21 OCCOCC1CCOC1 34a_100000740260_100000211926 [0,0,0,1,0,0|2,0,0]=3 8695 B10R1.21 OCCOCC1COCO1 34a_100011216627_100000211926 [0,0,0,1,0,0|3,0,0]=4 8696 B10R1.21 OCCOCC1OCCO1 34a_100000087154_100000211926 [0,0,0,1,0,0|3,0,0]=4 8697 B10R1.21 OCCOC[C@H]1CCCN1 34a_100000745186_100000211926 [0,0,0,1,0,0|2,0,0]=3 8698 B10R1.21 OCCSCC1CCCC1 62a_100000211926_100000740388 [0,0,0,1,0,0|1,0,0]=2 8699 B10R1.21 OCCSCC1CCCC1 62a_100000740388_100000211926 [0,0,0,1,0,0|1,0,0]=2 8700 B10R1.21 OCCSCC1CCCO1 62a_100000203698_100000211926 [0,0,0,1,0,0|2,0,0]=3 8701 B10R1.21 OCCSCC1CCCO1 62a_100000211926_100000203698 [0,0,0,1,0,0|2,0,0]=3 8702 B10R1.21 OCCSCC1CCOC1 62a_100000211926_100000702531 [0,0,0,1,0,0|2,0,0]=3 8703 B10R1.21 OCCSCC1CCOC1 62a_100000702531_100000211926 [0,0,0,1,0,0|2,0,0]=3 8704 B10R1.21 OCCSCC1OCCO1 62a_100000211926_100000755774 [0,0,0,1,0,0|3,0,0]=4 8705 B10R1.21 OCCSCC1OCCO1 62a_100000755774_100000211926 [0,0,0,1,0,0|3,0,0]=4 8706 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [0,0,0,1,0,0|2,0,0]=3 8707 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [0,0,0,1,0,0|2,0,0]=3 8708 B10R1.21 [13CH3]NCCOC1CCCC1 34a_100000741755_200025704644 [0,0,0,1,0,0|3,0,0]=4 8709 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [0,0,0,1,0,0|2,0,0]=3 8710 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [0,0,0,1,0,0|2,0,0]=3 8711 B10R1.21 [13CH3]OCCCC1OCCO1 34a_100009871617_200025704644 [0,0,0,1,0,0|2,0,0]=3 8712 B10R1.21 [13CH3]OCCCC1OCCO1 7a_100009871617_200025704644 [0,0,0,1,0,0|2,0,0]=3 8713 B10R1.21 [13CH3]OCCNC1CCCC1 34a_200000200444_200025704644 [0,0,0,1,0,0|3,0,0]=4 8714 B10R1.21 [13CH3]OCCOC1CCCC1 34a_100000738311_200025704644 [0,0,0,1,0,0|3,0,0]=4 8715 B10R1.21 [13CH3]OCCOC1CCCC1 7a_100000738311_200025704644 [0,0,0,1,0,0|3,0,0]=4 8716 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [0,0,0,1,0,0|2,0,0]=3 8717 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [0,0,0,1,0,0|2,0,0]=3 8718 B10R1.21 [13CH3]SCCCC1OCCO1 62a_200025704644_100000042513 [0,0,0,1,0,0|2,0,0]=3 8719 B10R1.21 [13CH3]SCCCN1CCCC1 62a_100016991639_200025704644 [0,0,0,1,0,0|3,0,0]=4 8720 B10R1.21 [13CH3]SCCCN1CCCC1 62a_200025704644_100011445909 [0,0,0,1,0,0|3,0,0]=4 8721 B10R1.29 C#CCCN1CCC[C@@H]1C 2230a_100020605311_100000688953 [0,0,0,1,0,0|2,0,1]=4 8722 B10R1.29 C#CCCN1CCC[C@@H]1C 269982a_100020605311_100000730999 [0,0,0,1,0,0|2,0,1]=4 8723 B10R1.29 C#CCCN1CCC[C@H]1C 2230a_100015189458_100000688953 [0,0,0,1,0,0|2,0,1]=4 8724 B10R1.29 C#CCCN1CCC[C@H]1C 269982a_100015189458_100000730999 [0,0,0,1,0,0|2,0,1]=4 8725 B10R1.29 C#CCCN1CCC[C@H]1C 34a_100015189458_100000688953 [0,0,0,1,0,0|2,0,1]=4 8726 B10R1.29 C#CCOC1CCCC1C 34a_100011216460_100000184674 [0,0,0,1,0,0|2,0,1]=4 8727 B10R1.29 C#CCOC1CCCC1C 7a_100011216460_100000038162 [0,0,0,1,0,0|2,0,1]=4 8728 B10R1.29 C#CCS[C@@H]1CCC[C@H]1O 62a_100000038162_200016002552 [0,0,0,1,0,0|1,0,2]=4 8729 B10R1.29 C=CCCN1CCC[C@@H]1C 2230a_100020605311_100000754431 [0,0,0,1,0,0|2,0,1]=4 8730 B10R1.29 C=CCCN1CCC[C@@H]1C 269982a_100020605311_100000754431 [0,0,0,1,0,0|2,0,1]=4 8731 B10R1.29 C=CCCN1CCC[C@H]1C 2230a_100015189458_100000754431 [0,0,0,1,0,0|2,0,1]=4 8732 B10R1.29 C=CCCN1CCC[C@H]1C 269982a_100015189458_100000754431 [0,0,0,1,0,0|2,0,1]=4 8733 B10R1.29 C=CCCN1CCC[C@H]1C 34a_100015189458_100000754431 [0,0,0,1,0,0|2,0,1]=4 8734 B10R1.29 C=CCOC1CCCC1C 34a_100011216460_100015514636 [0,0,0,1,0,0|2,0,1]=4 8735 B10R1.29 C=CCOC1CCCC1C 7a_100011216460_100015514636 [0,0,0,1,0,0|2,0,1]=4 8736 B10R1.29 C=CCS[C@@H]1CCC[C@H]1O 62a_100000210623_200016002552 [0,0,0,1,0,0|1,0,2]=4 8737 B10R1.29 C=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210623 [0,0,0,1,0,0|1,0,2]=4 8738 B10R1.29 CC1CCCC1NCCF 269862a_100000724931_100000752053 [0,0,0,1,0,0|2,0,0]=3 8739 B10R1.29 CC1CCCC1NCCO 269862a_100000210304_100000752053 [0,0,0,1,0,0|1,0,0]=2 8740 B10R1.29 CC1CCCC1OCC#N 7a_100011216460_100011215382 [0,0,0,1,0,0|2,0,1]=4 8741 B10R1.29 CC1CCCC1OCC=O 34a_100011216460_200009817547 [0,0,0,1,0,0|1,0,2]=4 8742 B10R1.29 CC1CCCC1OCC=O 7a_100011216460_200015260668 [0,0,0,1,0,0|1,0,2]=4 8743 B10R1.29 CC1CCCC1OCCF 34a_100011216460_100011217306 [0,0,0,1,0,0|2,0,0]=3 8744 B10R1.29 CC1CCCC1OCCF 7a_100011216460_100011217306 [0,0,0,1,0,0|2,0,0]=3 8745 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [0,0,0,1,0,0|1,0,0]=2 8746 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [0,0,0,1,0,0|1,0,0]=2 8747 B10R1.29 CC1OCCC1NCCO 270004a_100000210304_100000691750 [0,0,0,1,0,0|2,0,0]=3 8748 B10R1.29 CC1SCCN1CCCF 2230a_200011216479_100011934791 [0,0,0,1,0,0|3,0,0]=4 8749 B10R1.29 CC1SCCN1CCCF 269982a_200011216479_100011934791 [0,0,0,1,0,0|3,0,0]=4 8750 B10R1.29 CC1SCCN1CCCF 34a_200011216479_100011934791 [0,0,0,1,0,0|3,0,0]=4 8751 B10R1.29 CC1SCCN1CCCO 2230a_200011216479_100000230001 [0,0,0,1,0,0|2,0,0]=3 8752 B10R1.29 CC1SCCN1CCCO 269982a_200011216479_100011215043 [0,0,0,1,0,0|2,0,0]=3 8753 B10R1.29 CC1SCCN1CCCO 34a_200011216479_100000230001 [0,0,0,1,0,0|2,0,0]=3 8754 B10R1.29 CCCCN1CCC[C@@H]1C 2230a_100020605311_100000210211 [0,0,0,1,0,0|2,0,0]=3 8755 B10R1.29 CCCCN1CCC[C@@H]1C 269982a_100020605311_100000210211 [0,0,0,1,0,0|2,0,0]=3 8756 B10R1.29 CCCCN1CCC[C@H]1C 2230a_100015189458_100000210211 [0,0,0,1,0,0|2,0,0]=3 8757 B10R1.29 CCCCN1CCC[C@H]1C 269982a_100015189458_100000210211 [0,0,0,1,0,0|2,0,0]=3 8758 B10R1.29 CCCCN1CCC[C@H]1C 34a_100015189458_100000210210 [0,0,0,1,0,0|2,0,0]=3 8759 B10R1.29 CCCCN1CCSC1C 2230a_200011216479_100000210211 [0,0,0,1,0,0|3,0,0]=4 8760 B10R1.29 CCCCN1CCSC1C 269982a_200011216479_100000210211 [0,0,0,1,0,0|3,0,0]=4 8761 B10R1.29 CCCCN1CCSC1C 34a_200011216479_100000210210 [0,0,0,1,0,0|3,0,0]=4 8762 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [0,0,0,1,0,0|2,0,0]=3 8763 B10R1.29 CCCNC1CCOC1C 270004a_100020643023_100000691750 [0,0,0,1,0,0|3,0,0]=4 8764 B10R1.29 CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210303 [0,0,0,1,0,0|2,0,0]=3 8765 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,0,0,1,0,0|1,0,2]=4 8766 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,0,0,1,0,0|1,0,2]=4 8767 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [0,0,0,1,0,0|2,0,0]=3 8768 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [0,0,0,1,0,0|2,0,0]=3 8769 B10R1.29 CCCOC1COCC1O 34a_100000210258_200000725654 [0,0,0,1,0,0|2,0,0]=3 8770 B10R1.29 CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210303 [0,0,0,1,0,0|2,0,0]=3 8771 B10R1.29 CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210303 [0,0,0,1,0,0|2,0,0]=3 8772 B10R1.29 CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210303 [0,0,0,1,0,0|3,0,0]=4 8773 B10R1.29 CCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210303 [0,0,0,1,0,0|3,0,0]=4 8774 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,0,0,1,0,0|1,0,2]=4 8775 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,0,0,1,0,0|1,0,2]=4 8776 B10R1.29 CCCSC1COCC1O 62a_100000210303_200000725654 [0,0,0,1,0,0|2,0,0]=3 8777 B10R1.29 CCCSC1COCC1O 62a_200000725654_100000210303 [0,0,0,1,0,0|2,0,0]=3 8778 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [0,0,0,1,0,0|1,0,0]=2 8779 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [0,0,0,1,0,0|1,0,0]=2 8780 B10R1.29 CCNN=C1CCCC1O 4a_100000756455_200000719330 [0,0,0,1,0,0|2,0,1]=4 8781 B10R1.29 CCOCC1CCCN1C 34a_100000743107_100000210202 [0,0,0,1,0,0|3,0,0]=4 8782 B10R1.29 CCOCN1CCC[C@@H]1C 269982a_100020605311_100000739092 [0,0,0,1,0,0|3,0,0]=4 8783 B10R1.29 CCOCN1CCC[C@H]1C 269982a_100015189458_100000739092 [0,0,0,1,0,0|3,0,0]=4 8784 B10R1.29 CN1CCCC1CCO[13CH3] 34a_100011215177_200025704644 [0,0,0,1,0,0|3,0,0]=4 8785 B10R1.29 CN1CCCC1CCO[13CH3] 7a_100011215177_200025704644 [0,0,0,1,0,0|3,0,0]=4 8786 B10R1.29 CN1CCCC1CCS[13CH3] 62a_100000005710_200025704644 [0,0,0,1,0,0|3,0,0]=4 8787 B10R1.29 CN1CCCC1CCS[13CH3] 62a_200025704644_100000005710 [0,0,0,1,0,0|3,0,0]=4 8788 B10R1.29 CN1CCCC1COCF 34a_100000743107_100015361967 [0,0,0,1,0,0|3,0,0]=4 8789 B10R1.29 CNCCC1CCCN1C 2230a_106832991635_100000005710 [0,0,0,1,0,0|3,0,0]=4 8790 B10R1.29 CNCCC1CCCN1C 34a_100102657272_100000005710 [0,0,0,1,0,0|3,0,0]=4 8791 B10R1.29 CNCCC1CCCN1C 7a_106832991635_100000005710 [0,0,0,1,0,0|3,0,0]=4 8792 B10R1.29 COCCC1CCCN1C 34a_100011215177_200000210301 [0,0,0,1,0,0|3,0,0]=4 8793 B10R1.29 COCCC1CCCN1C 34a_100138415774_100000005710 [0,0,0,1,0,0|3,0,0]=4 8794 B10R1.29 COCCC1CCCN1C 7a_100011215177_200000210301 [0,0,0,1,0,0|3,0,0]=4 8795 B10R1.29 COCCN1CCC[C@@H]1C 2230a_100020605311_100011201679 [0,0,0,1,0,0|3,0,0]=4 8796 B10R1.29 COCCN1CCC[C@@H]1C 269982a_100020605311_100000233755 [0,0,0,1,0,0|3,0,0]=4 8797 B10R1.29 COCCN1CCC[C@H]1C 2230a_100015189458_100011201679 [0,0,0,1,0,0|3,0,0]=4 8798 B10R1.29 COCCN1CCC[C@H]1C 269982a_100015189458_100000233755 [0,0,0,1,0,0|3,0,0]=4 8799 B10R1.29 COCCN1CCC[C@H]1C 34a_100015189458_100011201679 [0,0,0,1,0,0|3,0,0]=4 8800 B10R1.29 COCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000766300 [0,0,0,1,0,0|3,0,0]=4 8801 B10R1.29 COCSC1COCC1O 62a_100000766300_200000725654 [0,0,0,1,0,0|3,0,0]=4 8802 B10R1.29 COCSC1COCC1O 62a_200000725654_100000766300 [0,0,0,1,0,0|3,0,0]=4 8803 B10R1.29 COCS[C@@H]1CCC[C@H]1O 62a_100000766300_200016002552 [0,0,0,1,0,0|2,0,0]=3 8804 B10R1.29 COCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000766300 [0,0,0,1,0,0|2,0,0]=3 8805 B10R1.29 CSCCC1CCCN1C 62a_100000005710_200000210301 [0,0,0,1,0,0|3,0,0]=4 8806 B10R1.29 CSCCC1CCCN1C 62a_200000210301_100000005710 [0,0,0,1,0,0|3,0,0]=4 8807 B10R1.29 CSCCN1CCC[C@@H]1C 2230a_100020605311_100000751147 [0,0,0,1,0,0|3,0,0]=4 8808 B10R1.29 CSCCN1CCC[C@@H]1C 269982a_100020605311_100000212216 [0,0,0,1,0,0|3,0,0]=4 8809 B10R1.29 CSCCN1CCC[C@H]1C 2230a_100015189458_100000751147 [0,0,0,1,0,0|3,0,0]=4 8810 B10R1.29 CSCCN1CCC[C@H]1C 269982a_100015189458_100000212216 [0,0,0,1,0,0|3,0,0]=4 8811 B10R1.29 CSCCN1CCC[C@H]1C 34a_100015189458_100000212216 [0,0,0,1,0,0|3,0,0]=4 8812 B10R1.29 CSCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011218213 [0,0,0,1,0,0|3,0,0]=4 8813 B10R1.29 CSCOC1CCCC1C 34a_100011216460_100011218213 [0,0,0,1,0,0|3,0,0]=4 8814 B10R1.29 CSCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011218213 [0,0,0,1,0,0|3,0,0]=4 8815 B10R1.29 CSCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011218213 [0,0,0,1,0,0|3,0,0]=4 8816 B10R1.29 CSCSC1COCC1O 62a_100011218213_200000725654 [0,0,0,1,0,0|3,0,0]=4 8817 B10R1.29 CSCSC1COCC1O 62a_200000725654_100011218213 [0,0,0,1,0,0|3,0,0]=4 8818 B10R1.29 CSCS[C@@H]1CCC[C@H]1O 62a_100011218213_200016002552 [0,0,0,1,0,0|2,0,0]=3 8819 B10R1.29 CSCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011218213 [0,0,0,1,0,0|2,0,0]=3 8820 B10R1.29 C[C@@H]1CCCN1CCC#N 2230a_100015189458_100011215226 [0,0,0,1,0,0|2,0,1]=4 8821 B10R1.29 C[C@@H]1CCCN1CCC#N 269982a_100015189458_100011215226 [0,0,0,1,0,0|2,0,1]=4 8822 B10R1.29 C[C@@H]1CCCN1CCCF 2230a_100015189458_100011934791 [0,0,0,1,0,0|2,0,0]=3 8823 B10R1.29 C[C@@H]1CCCN1CCCF 269982a_100015189458_100011934791 [0,0,0,1,0,0|2,0,0]=3 8824 B10R1.29 C[C@@H]1CCCN1CCCF 34a_100015189458_100011934791 [0,0,0,1,0,0|2,0,0]=3 8825 B10R1.29 C[C@@H]1CCCN1CCCO 2230a_100015189458_100000230001 [0,0,0,1,0,0|1,0,0]=2 8826 B10R1.29 C[C@@H]1CCCN1CCCO 269982a_100015189458_100011215043 [0,0,0,1,0,0|1,0,0]=2 8827 B10R1.29 C[C@@H]1CCCN1CCCO 34a_100015189458_100000230001 [0,0,0,1,0,0|1,0,0]=2 8828 B10R1.29 C[C@@H]1CNC[C@@H]1OCCF 34a_200015306588_100011217306 [0,0,0,1,0,0|3,0,0]=4 8829 B10R1.29 C[C@@H]1CNC[C@@H]1OCCO 34a_200015306588_100000211926 [0,0,0,1,0,0|2,0,0]=3 8830 B10R1.29 C[C@H]1CCCN1CCC#N 2230a_100020605311_100011215226 [0,0,0,1,0,0|2,0,1]=4 8831 B10R1.29 C[C@H]1CCCN1CCC#N 269982a_100020605311_100011215226 [0,0,0,1,0,0|2,0,1]=4 8832 B10R1.29 C[C@H]1CCCN1CCCF 2230a_100020605311_100011934791 [0,0,0,1,0,0|2,0,0]=3 8833 B10R1.29 C[C@H]1CCCN1CCCF 269982a_100020605311_100011934791 [0,0,0,1,0,0|2,0,0]=3 8834 B10R1.29 C[C@H]1CCCN1CCCO 2230a_100020605311_100000230001 [0,0,0,1,0,0|1,0,0]=2 8835 B10R1.29 C[C@H]1CCCN1CCCO 269982a_100020605311_100011215043 [0,0,0,1,0,0|1,0,0]=2 8836 B10R1.29 FCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011217306 [0,0,0,1,0,0|3,0,0]=4 8837 B10R1.29 N#CCS[C@@H]1CCC[C@H]1O 62a_100011215382_200016002552 [0,0,0,1,0,0|2,0,1]=4 8838 B10R1.29 N#CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215382 [0,0,0,1,0,0|2,0,1]=4 8839 B10R1.29 NCCOC1COCC1O 34a_100000210304_200000725654 [0,0,0,1,0,0|3,0,0]=4 8840 B10R1.29 N[C@H]1CCC[C@@H]1OCCF 34a_100000748460_100011217306 [0,0,0,1,0,0|3,0,0]=4 8841 B10R1.29 N[C@H]1CCC[C@@H]1OCCO 34a_100000748460_100000211926 [0,0,0,1,0,0|2,0,0]=3 8842 B10R1.29 N[C@H]1COC[C@@H]1OCCO 34a_100015191717_100000211926 [0,0,0,1,0,0|3,0,0]=4 8843 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [0,0,0,1,0,0|2,0,1]=4 8844 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [0,0,0,1,0,0|2,0,1]=4 8845 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [0,0,0,1,0,0|2,0,1]=4 8846 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [0,0,0,1,0,0|2,0,1]=4 8847 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [0,0,0,1,0,0|2,0,1]=4 8848 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200015260668_200016002552 [0,0,0,1,0,0|2,0,1]=4 8849 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_200015260668 [0,0,0,1,0,0|2,0,1]=4 8850 B10R1.29 OC1COCC1NCCF 34a_100000724931_200000725654 [0,0,0,1,0,0|3,0,0]=4 8851 B10R1.29 OC1COCC1OCCBr 34a_100000211926_200000725654 [0,0,0,1,0,0|3,0,0]=4 8852 B10R1.29 OC1COCC1SCCF 62a_100011217306_200000725654 [0,0,0,1,0,0|3,0,0]=4 8853 B10R1.29 OC1COCC1SCCF 62a_200000725654_100011217306 [0,0,0,1,0,0|3,0,0]=4 8854 B10R1.29 OCCNC1COCC1O 34a_100016990907_200000725654 [0,0,0,1,0,0|3,0,0]=4 8855 B10R1.29 OCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000211926 [0,0,0,1,0,0|3,0,0]=4 8856 B10R1.29 OCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000211926 [0,0,0,1,0,0|2,0,0]=3 8857 B10R1.29 OCCSC1COCC1O 62a_100000211926_200000725654 [0,0,0,1,0,0|3,0,0]=4 8858 B10R1.29 OCCSC1COCC1O 62a_200000725654_100000211926 [0,0,0,1,0,0|3,0,0]=4 8859 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_100000211926_200016002552 [0,0,0,1,0,0|2,0,0]=3 8860 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000211926 [0,0,0,1,0,0|2,0,0]=3 8861 B10R1.29 O[C@@H]1CCC[C@H]1SCCF 62a_100011217306_200016002552 [0,0,0,1,0,0|2,0,0]=3 8862 B10R1.29 O[C@@H]1CCC[C@H]1SCCF 62a_200016002552_100011217306 [0,0,0,1,0,0|2,0,0]=3 8863 B10R1.29 O[C@H]1COC[C@@H]1NCCF 2230a_100015191717_100011217306 [0,0,0,1,0,0|3,0,0]=4 8864 B10R1.37 C#CCCCN1CCC1C 269982a_100000755817_100011215417 [0,0,0,1,0,0|2,0,1]=4 8865 B10R1.37 C#CCCCN1CCC1C 34a_100000755817_100000695029 [0,0,0,1,0,0|2,0,1]=4 8866 B10R1.37 C=CCCCN1CCC1C 269982a_100000755817_100000757094 [0,0,0,1,0,0|2,0,1]=4 8867 B10R1.37 C=CCCCN1CCC1C 34a_100000755817_100000757094 [0,0,0,1,0,0|2,0,1]=4 8868 B10R1.37 CC1CCN1CC#CCO 34a_100000755817_200000047223 [0,0,0,1,0,0|1,0,2]=4 8869 B10R1.37 CC1CCN1CCCC#N 269982a_100000755817_100000687738 [0,0,0,1,0,0|2,0,1]=4 8870 B10R1.37 CC1CCN1CCCC=O 269982a_100000755817_200011292268 [0,0,0,1,0,0|1,0,2]=4 8871 B10R1.37 CC1CCN1CCCCF 269982a_100000755817_100000729493 [0,0,0,1,0,0|2,0,0]=3 8872 B10R1.37 CC1CCN1CCCCF 34a_100000755817_100000729493 [0,0,0,1,0,0|2,0,0]=3 8873 B10R1.37 CC1CCN1CCCCO 269982a_100000755817_100000210776 [0,0,0,1,0,0|1,0,0]=2 8874 B10R1.37 CC1CCN1CCCCO 34a_100000755817_100011216708 [0,0,0,1,0,0|1,0,0]=2 8875 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [0,0,0,1,0,0|2,0,0]=3 8876 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [0,0,0,1,0,0|2,0,0]=3 8877 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,0,0,1,0,0|1,0,2]=4 8878 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,0,0,1,0,0|1,0,2]=4 8879 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,0,0,1,0,0|1,0,2]=4 8880 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,0,0,1,0,0|1,0,2]=4 8881 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,0,0,1,0,0|1,0,2]=4 8882 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,0,0,1,0,0|1,0,2]=4 8883 B10R1.37 CCOCCN1CCC1C 269982a_100000755817_100011215890 [0,0,0,1,0,0|3,0,0]=4 8884 B10R1.37 CCOCCN1CCC1C 34a_100000755817_100000210147 [0,0,0,1,0,0|3,0,0]=4 8885 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,0,0,1,0,0|1,0,2]=4 8886 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,0,0,1,0,0|1,0,2]=4 8887 B10R1.37 CCSCCN1CCC1C 269982a_100000755817_100000757381 [0,0,0,1,0,0|3,0,0]=4 8888 B10R1.37 CCSCCN1CCC1C 34a_100000755817_100000757381 [0,0,0,1,0,0|3,0,0]=4 8889 B10R1.37 COCCCN1CCC1C 269982a_100000755817_100000740836 [0,0,0,1,0,0|3,0,0]=4 8890 B10R1.37 COCCCN1CCC1C 34a_100000755817_100000740836 [0,0,0,1,0,0|3,0,0]=4 8891 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,0,0,1,0,0|2,0,1]=4 8892 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,0,0,1,0,0|2,0,1]=4 8893 B10R1.56 C#CCCOCC1CC1C 34a_100000744939_100000688953 [0,0,0,1,0,0|2,0,1]=4 8894 B10R1.56 C#CCCOCC1CC1C 7a_100000744939_100000688953 [0,0,0,1,0,0|2,0,1]=4 8895 B10R1.56 C=CCCOCC1CC1C 34a_100000744939_100000754431 [0,0,0,1,0,0|2,0,1]=4 8896 B10R1.56 C=CCCOCC1CC1C 7a_100000744939_100000754431 [0,0,0,1,0,0|2,0,1]=4 8897 B10R1.56 CC1CC1COCCC#N 7a_100000744939_100000184422 [0,0,0,1,0,0|2,0,1]=4 8898 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [0,0,0,1,0,0|2,0,0]=3 8899 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [0,0,0,1,0,0|2,0,0]=3 8900 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [0,0,0,1,0,0|1,0,0]=2 8901 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [0,0,0,1,0,0|1,0,0]=2 8902 B10R1.56 CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210326 [0,0,0,1,0,0|2,0,0]=3 8903 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210326 [0,0,0,1,0,0|2,0,0]=3 8904 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000718602 [0,0,0,1,0,0|2,0,0]=3 8905 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [0,0,0,1,0,0|2,0,0]=3 8906 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [0,0,0,1,0,0|2,0,0]=3 8907 B10R1.56 CCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215890 [0,0,0,1,0,0|3,0,0]=4 8908 B10R1.56 CCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215890 [0,0,0,1,0,0|3,0,0]=4 8909 B10R1.56 CCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210147 [0,0,0,1,0,0|3,0,0]=4 8910 B10R1.56 CCSCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000757381 [0,0,0,1,0,0|3,0,0]=4 8911 B10R1.56 CCSCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000757381 [0,0,0,1,0,0|3,0,0]=4 8912 B10R1.56 CCSCCN[C@@H]1C[C@H]1F 34a_100025746932_100000757381 [0,0,0,1,0,0|3,0,0]=4 8913 B10R1.56 COCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000740836 [0,0,0,1,0,0|3,0,0]=4 8914 B10R1.56 COCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000740836 [0,0,0,1,0,0|3,0,0]=4 8915 B10R1.56 COCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000740836 [0,0,0,1,0,0|3,0,0]=4 8916 B10R1.56 COCCOCC1CC1C 34a_100000744939_100011201679 [0,0,0,1,0,0|3,0,0]=4 8917 B10R1.56 COCCOCC1CC1C 7a_100000744939_100000233755 [0,0,0,1,0,0|3,0,0]=4 8918 B10R1.56 CSCCOCC1CC1C 34a_100000744939_100000212216 [0,0,0,1,0,0|3,0,0]=4 8919 B10R1.56 CSCCOCC1CC1C 7a_100000744939_100000212216 [0,0,0,1,0,0|3,0,0]=4 8920 B10R1.56 FCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000729493 [0,0,0,1,0,0|3,0,0]=4 8921 B10R1.56 FCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000729493 [0,0,0,1,0,0|3,0,0]=4 8922 B10R1.56 FCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000729493 [0,0,0,1,0,0|3,0,0]=4 8923 B10R1.56 OCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210776 [0,0,0,1,0,0|2,0,0]=3 8924 B10R1.56 OCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210776 [0,0,0,1,0,0|2,0,0]=3 8925 B10R1.56 OCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011216708 [0,0,0,1,0,0|2,0,0]=3 8926 B10R1.57 BrCCCCOC1CCC1 34a_100011216708_100000749161 [0,0,0,1,0,0|2,0,0]=3 8927 B10R1.57 BrCCCCOC1COC1 34a_100011216708_100009818527 [0,0,0,1,0,0|3,0,0]=4 8928 B10R1.57 BrCCCOCC1CCC1 34a_100011217188_100000763275 [0,0,0,1,0,0|2,0,0]=3 8929 B10R1.57 BrCCCOCC1CCO1 34a_100011217188_100000103362 [0,0,0,1,0,0|2,0,0]=3 8930 B10R1.57 BrCCCOCC1COC1 34a_100011217188_100010264016 [0,0,0,1,0,0|3,0,0]=4 8931 B10R1.57 C#CCCCCN1CCC1 269982a_100000754969_100010269958 [0,0,0,1,0,0|2,0,1]=4 8932 B10R1.57 C#CCCCNC1CCC1 2230a_100000749019_100000731252 [0,0,0,1,0,0|2,0,1]=4 8933 B10R1.57 C#CCCCNC1CCC1 270004a_100000718082_100000241760 [0,0,0,1,0,0|2,0,1]=4 8934 B10R1.57 C#CCCCNC1CCC1 34a_100000718082_100000749161 [0,0,0,1,0,0|2,0,1]=4 8935 B10R1.57 C#CCCCNC1CCC1 34a_100000749019_100000695029 [0,0,0,1,0,0|2,0,1]=4 8936 B10R1.57 C#CCCCOC1CCC1 34a_100000215630_100000749161 [0,0,0,1,0,0|2,0,1]=4 8937 B10R1.57 C#CCCCOC1CCC1 34a_100000748187_100000695029 [0,0,0,1,0,0|2,0,1]=4 8938 B10R1.57 C#CCCCSC1CCC1 62a_100011215417_100000749161 [0,0,0,1,0,0|2,0,1]=4 8939 B10R1.57 C#CCCNCC1CCC1 2230a_100000738700_100000688953 [0,0,0,1,0,0|2,0,1]=4 8940 B10R1.57 C#CCCNCC1CCC1 34a_100000738700_100000688953 [0,0,0,1,0,0|2,0,1]=4 8941 B10R1.57 C#CCCNCC1CCC1 34a_100000755551_100000763275 [0,0,0,1,0,0|2,0,1]=4 8942 B10R1.57 C#CCCNCC1CCO1 34a_100000755551_100000103362 [0,0,0,1,0,0|1,0,2]=4 8943 B10R1.57 C#CCCNC[C@@H]1CCO1 2230a_100020831831_100000688953 [0,0,0,1,0,0|1,0,2]=4 8944 B10R1.57 C#CCCNC[C@@H]1CCO1 34a_100020831831_100000688953 [0,0,0,1,0,0|1,0,2]=4 8945 B10R1.57 C#CCCOCC1CCC1 34a_100000760304_100000688953 [0,0,0,1,0,0|2,0,1]=4 8946 B10R1.57 C#CCCOCC1CCC1 34a_100011215631_100000763275 [0,0,0,1,0,0|2,0,1]=4 8947 B10R1.57 C#CCCOCC1CCO1 34a_100000039022_100000688953 [0,0,0,1,0,0|1,0,2]=4 8948 B10R1.57 C#CCCOCC1CCO1 34a_100011215631_100000103362 [0,0,0,1,0,0|1,0,2]=4 8949 B10R1.57 C#CCCSCC1CCC1 62a_100000688953_100000763275 [0,0,0,1,0,0|2,0,1]=4 8950 B10R1.57 C#CCCSCC1CCC1 62a_100000763275_100000688953 [0,0,0,1,0,0|2,0,1]=4 8951 B10R1.57 C#CCCSCC1CCO1 62a_100000103362_100000688953 [0,0,0,1,0,0|1,0,2]=4 8952 B10R1.57 C#CCCSCC1CCO1 62a_100000688953_100000103362 [0,0,0,1,0,0|1,0,2]=4 8953 B10R1.57 C/C=C/CNC[C@@H]1CCO1 34a_100020831831_100102629194 [0,0,0,1,0,0|1,0,2]=4 8954 B10R1.57 C/C=C/COCC1CCO1 34a_100000039022_100102629194 [0,0,0,1,0,0|1,0,2]=4 8955 B10R1.57 C/C=C/COCC1CCO1 34a_100016270725_100000103362 [0,0,0,1,0,0|1,0,2]=4 8956 B10R1.57 C/C=C/CSCC1CCO1 62a_100000103362_100102629194 [0,0,0,1,0,0|1,0,2]=4 8957 B10R1.57 C/C=C/CSCC1CCO1 62a_100102629194_100000103362 [0,0,0,1,0,0|1,0,2]=4 8958 B10R1.57 C=CCCCCN1CCC1 269982a_100000754969_100011215482 [0,0,0,1,0,0|2,0,1]=4 8959 B10R1.57 C=CCCCNC1CCC1 2230a_100000749019_100011713584 [0,0,0,1,0,0|2,0,1]=4 8960 B10R1.57 C=CCCCNC1CCC1 270004a_100000700776_100000241760 [0,0,0,1,0,0|2,0,1]=4 8961 B10R1.57 C=CCCCNC1CCC1 34a_100000700776_100000749161 [0,0,0,1,0,0|2,0,1]=4 8962 B10R1.57 C=CCCCNC1CCC1 34a_100000749019_100000757094 [0,0,0,1,0,0|2,0,1]=4 8963 B10R1.57 C=CCCCOC1CCC1 34a_100000748187_100000757094 [0,0,0,1,0,0|2,0,1]=4 8964 B10R1.57 C=CCCCOC1CCC1 34a_100000758997_100000749161 [0,0,0,1,0,0|2,0,1]=4 8965 B10R1.57 C=CCCCSC1CCC1 62a_100011713584_100000749161 [0,0,0,1,0,0|2,0,1]=4 8966 B10R1.57 C=CCCNCC1CCC1 2230a_100000738700_100000754431 [0,0,0,1,0,0|2,0,1]=4 8967 B10R1.57 C=CCCNCC1CCC1 2230a_100015191253_100000763275 [0,0,0,1,0,0|2,0,1]=4 8968 B10R1.57 C=CCCNCC1CCC1 269862a_100015191253_100000753134 [0,0,0,1,0,0|2,0,1]=4 8969 B10R1.57 C=CCCNCC1CCC1 34a_100000738700_100000754431 [0,0,0,1,0,0|2,0,1]=4 8970 B10R1.57 C=CCCNCC1CCO1 2230a_100015191253_100000103362 [0,0,0,1,0,0|1,0,2]=4 8971 B10R1.57 C=CCCNC[C@@H]1CCO1 2230a_100020831831_100000754431 [0,0,0,1,0,0|1,0,2]=4 8972 B10R1.57 C=CCCNC[C@@H]1CCO1 34a_100020831831_100000754431 [0,0,0,1,0,0|1,0,2]=4 8973 B10R1.57 C=CCCOCC1CCC1 34a_100000760304_100000754431 [0,0,0,1,0,0|2,0,1]=4 8974 B10R1.57 C=CCCOCC1CCC1 34a_100011205117_100000763275 [0,0,0,1,0,0|2,0,1]=4 8975 B10R1.57 C=CCCOCC1CCO1 34a_100000039022_100000754431 [0,0,0,1,0,0|1,0,2]=4 8976 B10R1.57 C=CCCOCC1CCO1 34a_100011205117_100000103362 [0,0,0,1,0,0|1,0,2]=4 8977 B10R1.57 C=CCCSCC1CCC1 62a_100000754431_100000763275 [0,0,0,1,0,0|2,0,1]=4 8978 B10R1.57 C=CCCSCC1CCC1 62a_100000763275_100000754431 [0,0,0,1,0,0|2,0,1]=4 8979 B10R1.57 C=CCCSCC1CCO1 62a_100000103362_100000754431 [0,0,0,1,0,0|1,0,2]=4 8980 B10R1.57 C=CCCSCC1CCO1 62a_100000754431_100000103362 [0,0,0,1,0,0|1,0,2]=4 8981 B10R1.57 CC#CCNCC1CCO1 2230a_100000685387_100000103362 [0,0,0,1,0,0|1,0,2]=4 8982 B10R1.57 CC#CCNCC1CCO1 34a_100000685387_100000103362 [0,0,0,1,0,0|1,0,2]=4 8983 B10R1.57 CC#CCNC[C@@H]1CCO1 2230a_100020831831_100000748600 [0,0,0,1,0,0|1,0,2]=4 8984 B10R1.57 CC#CCNC[C@@H]1CCO1 34a_100020831831_100000748600 [0,0,0,1,0,0|1,0,2]=4 8985 B10R1.57 CC#CCOCC1CCO1 34a_100000039022_100000748600 [0,0,0,1,0,0|1,0,2]=4 8986 B10R1.57 CC#CCOCC1CCO1 34a_100000761923_100000103362 [0,0,0,1,0,0|1,0,2]=4 8987 B10R1.57 CC#CCSCC1CCO1 62a_100000103362_100000748600 [0,0,0,1,0,0|1,0,2]=4 8988 B10R1.57 CC#CCSCC1CCO1 62a_100000748600_100000103362 [0,0,0,1,0,0|1,0,2]=4 8989 B10R1.57 CC=CCNC[C@@H]1CCO1 2230a_100020831831_100000070051 [0,0,0,1,0,0|1,0,2]=4 8990 B10R1.57 CC=CCNC[C@@H]1CCO1 34a_100020831831_100000070051 [0,0,0,1,0,0|1,0,2]=4 8991 B10R1.57 CC=CCOCC1CCO1 34a_100000039022_100000070051 [0,0,0,1,0,0|1,0,2]=4 8992 B10R1.57 CC=CCSCC1CCO1 62a_100000070051_100000103362 [0,0,0,1,0,0|1,0,2]=4 8993 B10R1.57 CC=CCSCC1CCO1 62a_100000103362_100000070051 [0,0,0,1,0,0|1,0,2]=4 8994 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [0,0,0,1,0,0|2,0,0]=3 8995 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [0,0,0,1,0,0|2,0,0]=3 8996 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [0,0,0,1,0,0|2,0,0]=3 8997 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [0,0,0,1,0,0|2,0,0]=3 8998 B10R1.57 CCCCCNC1COC1 2230a_100016991112_100000210326 [0,0,0,1,0,0|3,0,0]=4 8999 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [0,0,0,1,0,0|2,0,0]=3 9000 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [0,0,0,1,0,0|2,0,0]=3 9001 B10R1.57 CCCCCOC1COC1 34a_100000210253_100009818527 [0,0,0,1,0,0|3,0,0]=4 9002 B10R1.57 CCCCCOC1COC1 7a_100000210253_100009818527 [0,0,0,1,0,0|3,0,0]=4 9003 B10R1.57 CCCCCOC1CSC1 7a_100000072292_100000210326 [0,0,0,1,0,0|3,0,0]=4 9004 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [0,0,0,1,0,0|2,0,0]=3 9005 B10R1.57 CCCCCSC1COC1 62a_100000210326_100009818527 [0,0,0,1,0,0|3,0,0]=4 9006 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [0,0,0,1,0,0|2,0,0]=3 9007 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [0,0,0,1,0,0|2,0,0]=3 9008 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [0,0,0,1,0,0|2,0,0]=3 9009 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [0,0,0,1,0,0|2,0,0]=3 9010 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [0,0,0,1,0,0|2,0,0]=3 9011 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,0,0,1,0,0|1,0,0]=2 9012 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,0,0,1,0,0|1,0,0]=2 9013 B10R1.57 CCCCNCC1COC1 2230a_100000102301_100010264016 [0,0,0,1,0,0|3,0,0]=4 9014 B10R1.57 CCCCNCC1COC1 2230a_100015281925_100000210211 [0,0,0,1,0,0|3,0,0]=4 9015 B10R1.57 CCCCNCC1COC1 34a_100015281925_100000210210 [0,0,0,1,0,0|3,0,0]=4 9016 B10R1.57 CCCCNCC1COC1 7a_106832991798_100010264016 [0,0,0,1,0,0|3,0,0]=4 9017 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,0,0,1,0,0|1,0,0]=2 9018 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,0,0,1,0,0|1,0,0]=2 9019 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [0,0,0,1,0,0|2,0,0]=3 9020 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [0,0,0,1,0,0|2,0,0]=3 9021 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [0,0,0,1,0,0|2,0,0]=3 9022 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,0,0,1,0,0|1,0,0]=2 9023 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,0,0,1,0,0|1,0,0]=2 9024 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,0,0,1,0,0|1,0,0]=2 9025 B10R1.57 CCCCOCC1CNC1 34a_100016987283_100000210210 [0,0,0,1,0,0|3,0,0]=4 9026 B10R1.57 CCCCOCC1COC1 34a_100000060846_100000210210 [0,0,0,1,0,0|3,0,0]=4 9027 B10R1.57 CCCCOCC1COC1 34a_100000210227_100010264016 [0,0,0,1,0,0|3,0,0]=4 9028 B10R1.57 CCCCOCC1COC1 7a_100000210227_100010264016 [0,0,0,1,0,0|3,0,0]=4 9029 B10R1.57 CCCCOCN1CCC1 269982a_100000754969_100011995733 [0,0,0,1,0,0|3,0,0]=4 9030 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [0,0,0,1,0,0|2,0,0]=3 9031 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [0,0,0,1,0,0|2,0,0]=3 9032 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,0,0,1,0,0|1,0,0]=2 9033 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,0,0,1,0,0|1,0,0]=2 9034 B10R1.57 CCCCSCC1COC1 62a_100000210211_100010264016 [0,0,0,1,0,0|3,0,0]=4 9035 B10R1.57 CCCCSCC1COC1 62a_100010264016_100000210210 [0,0,0,1,0,0|3,0,0]=4 9036 B10R1.57 CCCOCCC1COC1 34a_100009855314_100000210303 [0,0,0,1,0,0|3,0,0]=4 9037 B10R1.57 CCCOCCN1CCC1 269982a_100000754969_100011215938 [0,0,0,1,0,0|3,0,0]=4 9038 B10R1.57 CCOCCCN1CCC1 269982a_100000754969_100012232248 [0,0,0,1,0,0|3,0,0]=4 9039 B10R1.57 CCOCCNC1CCC1 2230a_100000749019_100011215890 [0,0,0,1,0,0|3,0,0]=4 9040 B10R1.57 CCOCCNC1CCC1 270004a_102516460346_100000241760 [0,0,0,1,0,0|3,0,0]=4 9041 B10R1.57 CCOCCNC1CCC1 34a_100000749019_100000210147 [0,0,0,1,0,0|3,0,0]=4 9042 B10R1.57 CCOCCNC1CCC1 34a_102516460346_100000749161 [0,0,0,1,0,0|3,0,0]=4 9043 B10R1.57 CCOCCOC1CCC1 34a_100000210136_100000749161 [0,0,0,1,0,0|3,0,0]=4 9044 B10R1.57 CCOCCOC1CCC1 34a_100000748187_100000210147 [0,0,0,1,0,0|3,0,0]=4 9045 B10R1.57 CCOCCSC1CCC1 62a_100000210147_100000749161 [0,0,0,1,0,0|3,0,0]=4 9046 B10R1.57 CCOCSCC1CCC1 62a_100000739092_100000763275 [0,0,0,1,0,0|3,0,0]=4 9047 B10R1.57 CCOCSCC1CCC1 62a_100000763275_100000739092 [0,0,0,1,0,0|3,0,0]=4 9048 B10R1.57 CCOCSCC1CCO1 62a_100000103362_100000739092 [0,0,0,1,0,0|2,0,0]=3 9049 B10R1.57 CCOCSCC1CCO1 62a_100000739092_100000103362 [0,0,0,1,0,0|2,0,0]=3 9050 B10R1.57 CCSCCNC1CCC1 2230a_100000749019_100000757381 [0,0,0,1,0,0|3,0,0]=4 9051 B10R1.57 CCSCCNC1CCC1 270004a_100000106463_100000241760 [0,0,0,1,0,0|3,0,0]=4 9052 B10R1.57 CCSCCNC1CCC1 34a_100000749019_100000757381 [0,0,0,1,0,0|3,0,0]=4 9053 B10R1.57 CCSCCOC1CCC1 34a_100000212035_100000749161 [0,0,0,1,0,0|3,0,0]=4 9054 B10R1.57 CCSCCOC1CCC1 34a_100000748187_100000757381 [0,0,0,1,0,0|3,0,0]=4 9055 B10R1.57 CCSCCSC1CCC1 62a_100000757381_100000749161 [0,0,0,1,0,0|3,0,0]=4 9056 B10R1.57 CNCCCOC1CCC1 34a_100000213112_100000749161 [0,0,0,1,0,0|3,0,0]=4 9057 B10R1.57 COCCCCN1CCC1 269982a_100000754969_100000730899 [0,0,0,1,0,0|3,0,0]=4 9058 B10R1.57 COCCCNC1CCC1 2230a_100000749019_100000740836 [0,0,0,1,0,0|3,0,0]=4 9059 B10R1.57 COCCCNC1CCC1 270004a_100150723488_100000241760 [0,0,0,1,0,0|3,0,0]=4 9060 B10R1.57 COCCCNC1CCC1 34a_100000749019_100000740836 [0,0,0,1,0,0|3,0,0]=4 9061 B10R1.57 COCCCNC1CCC1 34a_100150723488_100000749161 [0,0,0,1,0,0|3,0,0]=4 9062 B10R1.57 COCCCOC1CCC1 34a_100000740835_100000749161 [0,0,0,1,0,0|3,0,0]=4 9063 B10R1.57 COCCCOC1CCC1 34a_100000748187_100000740836 [0,0,0,1,0,0|3,0,0]=4 9064 B10R1.57 COCCCSC1CCC1 62a_100000709357_100000749161 [0,0,0,1,0,0|3,0,0]=4 9065 B10R1.57 COCCNCC1CCC1 2230a_100000209980_100000763275 [0,0,0,1,0,0|3,0,0]=4 9066 B10R1.57 COCCNCC1CCC1 2230a_100000738700_100011201679 [0,0,0,1,0,0|3,0,0]=4 9067 B10R1.57 COCCNCC1CCC1 269862a_100000209980_100000753134 [0,0,0,1,0,0|3,0,0]=4 9068 B10R1.57 COCCNCC1CCC1 34a_100000738700_100011201679 [0,0,0,1,0,0|3,0,0]=4 9069 B10R1.57 COCCNCC1CCO1 2230a_100000209980_100000103362 [0,0,0,1,0,0|2,0,0]=3 9070 B10R1.57 COCCNC[C@@H]1CCO1 2230a_100020831831_100011201679 [0,0,0,1,0,0|2,0,0]=3 9071 B10R1.57 COCCNC[C@@H]1CCO1 34a_100020831831_100011201679 [0,0,0,1,0,0|2,0,0]=3 9072 B10R1.57 COCCOCC1CCC1 34a_100000210237_100000763275 [0,0,0,1,0,0|3,0,0]=4 9073 B10R1.57 COCCOCC1CCC1 34a_100000760304_100011201679 [0,0,0,1,0,0|3,0,0]=4 9074 B10R1.57 COCCOCC1CCO1 34a_100000039022_100011201679 [0,0,0,1,0,0|2,0,0]=3 9075 B10R1.57 COCCOCC1CCO1 34a_100000210237_100000103362 [0,0,0,1,0,0|2,0,0]=3 9076 B10R1.57 COCCSCC1CCC1 62a_100000233755_100000763275 [0,0,0,1,0,0|3,0,0]=4 9077 B10R1.57 COCCSCC1CCC1 62a_100000763275_100000233755 [0,0,0,1,0,0|3,0,0]=4 9078 B10R1.57 COCCSCC1CCO1 62a_100000103362_100000233755 [0,0,0,1,0,0|2,0,0]=3 9079 B10R1.57 COCCSCC1CCO1 62a_100000233755_100000103362 [0,0,0,1,0,0|2,0,0]=3 9080 B10R1.57 CSCCCNC1CCC1 270004a_100000749238_100000241760 [0,0,0,1,0,0|3,0,0]=4 9081 B10R1.57 CSCCCOC1CCC1 34a_100000690336_100000749161 [0,0,0,1,0,0|3,0,0]=4 9082 B10R1.57 CSCCNCC1CCC1 2230a_100000738700_100000751147 [0,0,0,1,0,0|3,0,0]=4 9083 B10R1.57 CSCCNCC1CCC1 2230a_100020590264_100000763275 [0,0,0,1,0,0|3,0,0]=4 9084 B10R1.57 CSCCNCC1CCC1 269862a_100020590264_100000753134 [0,0,0,1,0,0|3,0,0]=4 9085 B10R1.57 CSCCNCC1CCC1 34a_100000738700_100000212216 [0,0,0,1,0,0|3,0,0]=4 9086 B10R1.57 CSCCNCC1CCO1 2230a_100020590264_100000103362 [0,0,0,1,0,0|2,0,0]=3 9087 B10R1.57 CSCCNC[C@@H]1CCO1 2230a_100020831831_100000751147 [0,0,0,1,0,0|2,0,0]=3 9088 B10R1.57 CSCCNC[C@@H]1CCO1 34a_100020831831_100000212216 [0,0,0,1,0,0|2,0,0]=3 9089 B10R1.57 CSCCOCC1CCC1 34a_100000230434_100000763275 [0,0,0,1,0,0|3,0,0]=4 9090 B10R1.57 CSCCOCC1CCC1 34a_100000760304_100000212216 [0,0,0,1,0,0|3,0,0]=4 9091 B10R1.57 CSCCOCC1CCC1 7a_100000230434_100000763275 [0,0,0,1,0,0|3,0,0]=4 9092 B10R1.57 CSCCOCC1CCO1 34a_100000039022_100000212216 [0,0,0,1,0,0|2,0,0]=3 9093 B10R1.57 CSCCOCC1CCO1 34a_100000230434_100000103362 [0,0,0,1,0,0|2,0,0]=3 9094 B10R1.57 CSCCOCC1CCO1 7a_100000230434_100000103362 [0,0,0,1,0,0|2,0,0]=3 9095 B10R1.57 CSCCSCC1CCC1 62a_100000212216_100000763275 [0,0,0,1,0,0|3,0,0]=4 9096 B10R1.57 CSCCSCC1CCC1 62a_100000763275_100000751147 [0,0,0,1,0,0|3,0,0]=4 9097 B10R1.57 CSCCSCC1CCO1 62a_100000103362_100000751147 [0,0,0,1,0,0|2,0,0]=3 9098 B10R1.57 CSCCSCC1CCO1 62a_100000212216_100000103362 [0,0,0,1,0,0|2,0,0]=3 9099 B10R1.57 ClCCCCOC1CCC1 34a_100000210776_100000749161 [0,0,0,1,0,0|2,0,0]=3 9100 B10R1.57 ClCCCCOC1COC1 34a_100000210776_100009818527 [0,0,0,1,0,0|3,0,0]=4 9101 B10R1.57 ClCCCCOC1COC1 7a_100000210776_100009818527 [0,0,0,1,0,0|3,0,0]=4 9102 B10R1.57 ClCCCOCC1CCC1 34a_100000230001_100000763275 [0,0,0,1,0,0|2,0,0]=3 9103 B10R1.57 ClCCCOCC1CCO1 34a_100000230001_100000103362 [0,0,0,1,0,0|2,0,0]=3 9104 B10R1.57 ClCCCOCC1COC1 34a_100000230001_100010264016 [0,0,0,1,0,0|3,0,0]=4 9105 B10R1.57 FCCCCCN1CCC1 269982a_100000754969_100000729378 [0,0,0,1,0,0|2,0,0]=3 9106 B10R1.57 FCCCCNC1CCC1 2230a_100000749019_100000729493 [0,0,0,1,0,0|2,0,0]=3 9107 B10R1.57 FCCCCNC1CCC1 34a_100000749019_100000729493 [0,0,0,1,0,0|2,0,0]=3 9108 B10R1.57 FCCCCNC1COC1 2230a_100016991112_100000729493 [0,0,0,1,0,0|3,0,0]=4 9109 B10R1.57 FCCCCOC1CCC1 34a_100000748187_100000729493 [0,0,0,1,0,0|2,0,0]=3 9110 B10R1.57 FCCCCOC1CCC1 34a_100011995726_100000749161 [0,0,0,1,0,0|2,0,0]=3 9111 B10R1.57 FCCCCOC1COC1 34a_100011995726_100009818527 [0,0,0,1,0,0|3,0,0]=4 9112 B10R1.57 FCCCCOC1COC1 7a_100011995726_100009818527 [0,0,0,1,0,0|3,0,0]=4 9113 B10R1.57 FCCCCOC1CSC1 7a_100000072292_100000729493 [0,0,0,1,0,0|3,0,0]=4 9114 B10R1.57 FCCCCSC1CCC1 62a_100000729493_100000749161 [0,0,0,1,0,0|2,0,0]=3 9115 B10R1.57 FCCCCSC1COC1 62a_100000729493_100009818527 [0,0,0,1,0,0|3,0,0]=4 9116 B10R1.57 FCCCNCC1CCC1 2230a_100000738700_100011934791 [0,0,0,1,0,0|2,0,0]=3 9117 B10R1.57 FCCCNCC1CCC1 2230a_100015189416_100000763275 [0,0,0,1,0,0|2,0,0]=3 9118 B10R1.57 FCCCNCC1CCC1 269862a_100015189416_100000753134 [0,0,0,1,0,0|2,0,0]=3 9119 B10R1.57 FCCCNCC1CCC1 34a_100000738700_100011934791 [0,0,0,1,0,0|2,0,0]=3 9120 B10R1.57 FCCCNCC1CCC1 34a_100015189416_100000763275 [0,0,0,1,0,0|2,0,0]=3 9121 B10R1.57 FCCCNCC1CCO1 2230a_100015189416_100000103362 [0,0,0,1,0,0|2,0,0]=3 9122 B10R1.57 FCCCNCC1CCO1 34a_100015189416_100000103362 [0,0,0,1,0,0|2,0,0]=3 9123 B10R1.57 FCCCNCC1COC1 2230a_100015189416_100010264016 [0,0,0,1,0,0|3,0,0]=4 9124 B10R1.57 FCCCNCC1COC1 2230a_100015281925_100011934791 [0,0,0,1,0,0|3,0,0]=4 9125 B10R1.57 FCCCNCC1COC1 34a_100015189416_100010264016 [0,0,0,1,0,0|3,0,0]=4 9126 B10R1.57 FCCCNCC1COC1 34a_100015281925_100011934791 [0,0,0,1,0,0|3,0,0]=4 9127 B10R1.57 FCCCNC[C@@H]1CCO1 2230a_100020831831_100011934791 [0,0,0,1,0,0|2,0,0]=3 9128 B10R1.57 FCCCNC[C@@H]1CCO1 34a_100020831831_100011934791 [0,0,0,1,0,0|2,0,0]=3 9129 B10R1.57 FCCCOCC1CCC1 34a_100000759539_100000763275 [0,0,0,1,0,0|2,0,0]=3 9130 B10R1.57 FCCCOCC1CCC1 34a_100000760304_100011934791 [0,0,0,1,0,0|2,0,0]=3 9131 B10R1.57 FCCCOCC1CCO1 34a_100000039022_100011934791 [0,0,0,1,0,0|2,0,0]=3 9132 B10R1.57 FCCCOCC1CCO1 34a_100000759539_100000103362 [0,0,0,1,0,0|2,0,0]=3 9133 B10R1.57 FCCCOCC1CNC1 34a_100016987283_100011934791 [0,0,0,1,0,0|3,0,0]=4 9134 B10R1.57 FCCCOCC1COC1 34a_100000060846_100011934791 [0,0,0,1,0,0|3,0,0]=4 9135 B10R1.57 FCCCOCC1COC1 34a_100000759539_100010264016 [0,0,0,1,0,0|3,0,0]=4 9136 B10R1.57 FCCCSCC1CCC1 62a_100000763275_100011934791 [0,0,0,1,0,0|2,0,0]=3 9137 B10R1.57 FCCCSCC1CCC1 62a_100011934791_100000763275 [0,0,0,1,0,0|2,0,0]=3 9138 B10R1.57 FCCCSCC1CCO1 62a_100000103362_100011934791 [0,0,0,1,0,0|2,0,0]=3 9139 B10R1.57 FCCCSCC1CCO1 62a_100011934791_100000103362 [0,0,0,1,0,0|2,0,0]=3 9140 B10R1.57 FCCCSCC1COC1 62a_100010264016_100011934791 [0,0,0,1,0,0|3,0,0]=4 9141 B10R1.57 FCCCSCC1COC1 62a_100011934791_100010264016 [0,0,0,1,0,0|3,0,0]=4 9142 B10R1.57 FCCOCCC1COC1 34a_100009855314_100011217306 [0,0,0,1,0,0|3,0,0]=4 9143 B10R1.57 ICCCCOC1CCC1 34a_200012148704_100000749161 [0,0,0,1,0,0|2,0,0]=3 9144 B10R1.57 ICCCCOC1COC1 34a_200012148704_100009818527 [0,0,0,1,0,0|3,0,0]=4 9145 B10R1.57 N#CCCCCN1CCC1 269982a_100000754969_100011219923 [0,0,0,1,0,0|2,0,1]=4 9146 B10R1.57 N#CCCCNC1CCC1 2230a_100000749019_100000687738 [0,0,0,1,0,0|2,0,1]=4 9147 B10R1.57 N#CCCCSC1CCC1 62a_100000687738_100000749161 [0,0,0,1,0,0|2,0,1]=4 9148 B10R1.57 N#CCCNCC1CCC1 2230a_100000738700_100011215226 [0,0,0,1,0,0|2,0,1]=4 9149 B10R1.57 N#CCCNC[C@@H]1CCO1 2230a_100020831831_100011215226 [0,0,0,1,0,0|2,0,1]=4 9150 B10R1.57 N#CCCSCC1CCC1 62a_100000763275_100011215226 [0,0,0,1,0,0|2,0,1]=4 9151 B10R1.57 N#CCCSCC1CCC1 62a_100011215226_100000763275 [0,0,0,1,0,0|2,0,1]=4 9152 B10R1.57 N#CCCSCC1CCO1 62a_100000103362_100011215226 [0,0,0,1,0,0|2,0,1]=4 9153 B10R1.57 N#CCCSCC1CCO1 62a_100011215226_100000103362 [0,0,0,1,0,0|2,0,1]=4 9154 B10R1.57 NCCCCOC1CCC1 34a_100000750430_100000749161 [0,0,0,1,0,0|2,0,0]=3 9155 B10R1.57 NCCCCOC1COC1 34a_100000750430_100009818527 [0,0,0,1,0,0|3,0,0]=4 9156 B10R1.57 NCCCOCC1CCC1 34a_100000182051_100000763275 [0,0,0,1,0,0|2,0,0]=3 9157 B10R1.57 NCCCOCC1CCO1 34a_100000182051_100000103362 [0,0,0,1,0,0|2,0,0]=3 9158 B10R1.57 NCCCOCC1COC1 34a_100000182051_100010264016 [0,0,0,1,0,0|3,0,0]=4 9159 B10R1.57 NOCCOCC1CCC1 34a_100000700252_100000763275 [0,0,0,1,0,0|3,0,0]=4 9160 B10R1.57 NOCCOCC1CCO1 34a_100000700252_100000103362 [0,0,0,1,0,0|3,0,0]=4 9161 B10R1.57 O=CCCCCN1CCC1 269982a_100000754969_100000139335 [0,0,0,1,0,0|1,0,2]=4 9162 B10R1.57 O=CCCCNC1CCC1 2230a_100000749019_200011292268 [0,0,0,1,0,0|1,0,2]=4 9163 B10R1.57 O=CCCCSC1CCC1 62a_200011292268_100000749161 [0,0,0,1,0,0|1,0,2]=4 9164 B10R1.57 OCC#CCNC1CCC1 2230a_100000749019_200000047223 [0,0,0,1,0,0|1,0,2]=4 9165 B10R1.57 OCC#CCNC1CCC1 34a_100000749019_200000047223 [0,0,0,1,0,0|1,0,2]=4 9166 B10R1.57 OCC#CCOC1CCC1 34a_100000748187_200000047223 [0,0,0,1,0,0|1,0,2]=4 9167 B10R1.57 OCC#CCSC1CCC1 62a_200000047223_100000749161 [0,0,0,1,0,0|1,0,2]=4 9168 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [0,0,0,1,0,0|1,0,0]=2 9169 B10R1.57 OCCCCNC1CCC1 2230a_100000749019_100000210776 [0,0,0,1,0,0|1,0,0]=2 9170 B10R1.57 OCCCCNC1CCC1 270004a_100000750430_100000241760 [0,0,0,1,0,0|1,0,0]=2 9171 B10R1.57 OCCCCNC1CCC1 34a_100000749019_100011216708 [0,0,0,1,0,0|1,0,0]=2 9172 B10R1.57 OCCCCNC1CCC1 34a_100000750430_100000749161 [0,0,0,1,0,0|1,0,0]=2 9173 B10R1.57 OCCCCNC1COC1 2230a_100016991112_100000210776 [0,0,0,1,0,0|2,0,0]=3 9174 B10R1.57 OCCCCNC1COC1 34a_100000750430_100009818527 [0,0,0,1,0,0|2,0,0]=3 9175 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [0,0,0,1,0,0|1,0,0]=2 9176 B10R1.57 OCCCCOC1CSC1 7a_100000072292_100000210776 [0,0,0,1,0,0|2,0,0]=3 9177 B10R1.57 OCCCCSC1CCC1 62a_100000210776_100000749161 [0,0,0,1,0,0|1,0,0]=2 9178 B10R1.57 OCCCCSC1COC1 62a_100000210776_100009818527 [0,0,0,1,0,0|2,0,0]=3 9179 B10R1.57 OCCCNCC1CCC1 2230a_100000738700_100000230001 [0,0,0,1,0,0|1,0,0]=2 9180 B10R1.57 OCCCNCC1CCC1 269862a_100000182051_100000753134 [0,0,0,1,0,0|1,0,0]=2 9181 B10R1.57 OCCCNCC1CCC1 34a_100000738700_100000230001 [0,0,0,1,0,0|1,0,0]=2 9182 B10R1.57 OCCCNCC1COC1 2230a_100015281925_100000230001 [0,0,0,1,0,0|2,0,0]=3 9183 B10R1.57 OCCCNCC1COC1 34a_100015281925_100000230001 [0,0,0,1,0,0|2,0,0]=3 9184 B10R1.57 OCCCNC[C@@H]1CCO1 2230a_100020831831_100000230001 [0,0,0,1,0,0|2,0,0]=3 9185 B10R1.57 OCCCNC[C@@H]1CCO1 34a_100020831831_100000230001 [0,0,0,1,0,0|2,0,0]=3 9186 B10R1.57 OCCCOCC1CCC1 34a_100000760304_100000230001 [0,0,0,1,0,0|1,0,0]=2 9187 B10R1.57 OCCCOCC1CCO1 34a_100000039022_100000230001 [0,0,0,1,0,0|2,0,0]=3 9188 B10R1.57 OCCCOCC1CNC1 34a_100016987283_100000230001 [0,0,0,1,0,0|2,0,0]=3 9189 B10R1.57 OCCCOCC1COC1 34a_100000060846_100000230001 [0,0,0,1,0,0|2,0,0]=3 9190 B10R1.57 OCCCSCC1CCC1 62a_100000763275_100011215043 [0,0,0,1,0,0|1,0,0]=2 9191 B10R1.57 OCCCSCC1CCC1 62a_100011215043_100000763275 [0,0,0,1,0,0|1,0,0]=2 9192 B10R1.57 OCCCSCC1CCO1 62a_100000103362_100011215043 [0,0,0,1,0,0|2,0,0]=3 9193 B10R1.57 OCCCSCC1CCO1 62a_100011215043_100000103362 [0,0,0,1,0,0|2,0,0]=3 9194 B10R1.57 OCCCSCC1COC1 62a_100010264016_100011215043 [0,0,0,1,0,0|2,0,0]=3 9195 B10R1.57 OCCCSCC1COC1 62a_100011215043_100010264016 [0,0,0,1,0,0|2,0,0]=3 9196 B10R1.57 OCCNN=CC1CCC1 4a_100000210001_100000753134 [0,0,0,1,0,0|2,0,1]=4 9197 B10R1.57 OCCOCCC1COC1 34a_100009855314_100000211926 [0,0,0,1,0,0|2,0,0]=3 9198 B10R1.57 OCCOCCN1CCC1 269982a_100000754969_100011215305 [0,0,0,1,0,0|2,0,0]=3 9199 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 9200 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 9201 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 9202 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 9203 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 9204 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 9205 B10R1.85 C#CCN1CCCCCC1 2230a_100000185865_100000038162 [0,0,0,1,0,0|2,0,1]=4 9206 B10R1.85 C#CCN1CCCCCC1 34a_100000185865_100000184674 [0,0,0,1,0,0|2,0,1]=4 9207 B10R1.85 C=CCN1CCCCCC1 2230a_100000185865_100000210623 [0,0,0,1,0,0|2,0,1]=4 9208 B10R1.85 C=CCN1CCCCCC1 269982a_100000185865_100000210623 [0,0,0,1,0,0|2,0,1]=4 9209 B10R1.85 C=CCN1CCCCCC1 34a_100000185865_100015514636 [0,0,0,1,0,0|2,0,1]=4 9210 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [0,0,0,1,0,0|2,0,0]=3 9211 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [0,0,0,1,0,0|2,0,0]=3 9212 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [0,0,0,1,0,0|2,0,0]=3 9213 B10R1.85 CCCN1CCCOCC1 2230a_100000685342_100000210303 [0,0,0,1,0,0|3,0,0]=4 9214 B10R1.85 CCCN1CCCOCC1 269982a_100000685342_100000210303 [0,0,0,1,0,0|3,0,0]=4 9215 B10R1.85 CCCN1CCCOCC1 34a_100000685342_100000210303 [0,0,0,1,0,0|3,0,0]=4 9216 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [0,0,0,1,0,0|2,0,0]=3 9217 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [0,0,0,1,0,0|2,0,0]=3 9218 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [0,0,0,1,0,0|2,0,0]=3 9219 B10R1.85 CCNC1CCCNCC1 270004a_100015525214_100015187895 [0,0,0,1,0,0|3,0,0]=4 9220 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,0,0,1,0,0|2,0,0]=3 9221 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,0,0,1,0,0|2,0,0]=3 9222 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,0,0,1,0,0|2,0,0]=3 9223 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [0,0,0,1,0,0|2,0,0]=3 9224 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [0,0,0,1,0,0|2,0,0]=3 9225 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [0,0,0,1,0,0|2,0,0]=3 9226 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [0,0,0,1,0,0|2,0,0]=3 9227 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [0,0,0,1,0,0|2,0,0]=3 9228 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [0,0,0,1,0,0|2,0,0]=3 9229 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [0,0,0,1,0,0|2,0,0]=3 9230 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [0,0,0,1,0,0|2,0,0]=3 9231 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [0,0,0,1,0,0|2,0,0]=3 9232 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [0,0,0,1,0,0|2,0,0]=3 9233 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [0,0,0,1,0,0|2,0,0]=3 9234 B10R1.85 COCN1CCCCCC1 2230a_100000185865_100000766300 [0,0,0,1,0,0|3,0,0]=4 9235 B10R1.85 COCN1CCCCCC1 269982a_100000185865_100000766300 [0,0,0,1,0,0|3,0,0]=4 9236 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [0,0,0,1,0,0|2,0,0]=3 9237 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [0,0,0,1,0,0|2,0,0]=3 9238 B10R1.85 CSCN1CCCCCC1 2230a_100000185865_100011218213 [0,0,0,1,0,0|3,0,0]=4 9239 B10R1.85 CSCN1CCCCCC1 269982a_100000185865_100011218213 [0,0,0,1,0,0|3,0,0]=4 9240 B10R1.85 CSCN1CCCCCC1 34a_100000185865_100011218213 [0,0,0,1,0,0|3,0,0]=4 9241 B10R1.85 FCCN1CCCCCC1 2230a_100000185865_100011217306 [0,0,0,1,0,0|2,0,0]=3 9242 B10R1.85 FCCN1CCCCCC1 269982a_100000185865_100011217306 [0,0,0,1,0,0|2,0,0]=3 9243 B10R1.85 FCCN1CCCCCC1 34a_100000185865_100011217306 [0,0,0,1,0,0|2,0,0]=3 9244 B10R1.85 FCCN1CCCOCC1 2230a_100000685342_100011217306 [0,0,0,1,0,0|3,0,0]=4 9245 B10R1.85 FCCN1CCCOCC1 269982a_100000685342_100011217306 [0,0,0,1,0,0|3,0,0]=4 9246 B10R1.85 FCCN1CCCOCC1 34a_100000685342_100011217306 [0,0,0,1,0,0|3,0,0]=4 9247 B10R1.85 FCNC1CCCCCC1 34a_100000210984_100015361967 [0,0,0,1,0,0|2,0,0]=3 9248 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [0,0,0,1,0,0|2,0,0]=3 9249 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [0,0,0,1,0,0|2,0,0]=3 9250 B10R1.85 FCSC1CCCCCC1 62a_100011217769_100015361967 [0,0,0,1,0,0|2,0,0]=3 9251 B10R1.85 FCSC1CCCCCC1 62a_100015361967_100011217769 [0,0,0,1,0,0|2,0,0]=3 9252 B10R1.85 N#CCN1CCCCCC1 2230a_100000185865_100011215382 [0,0,0,1,0,0|2,0,1]=4 9253 B10R1.85 N#CCN1CCCCCC1 269982a_100000185865_100011214920 [0,0,0,1,0,0|2,0,1]=4 9254 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [0,0,0,1,0,0|1,0,2]=4 9255 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [0,0,0,1,0,0|1,0,2]=4 9256 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [0,0,0,1,0,0|1,0,2]=4 9257 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [0,0,0,1,0,0|1,0,0]=2 9258 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [0,0,0,1,0,0|1,0,0]=2 9259 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [0,0,0,1,0,0|1,0,0]=2 9260 B10R1.85 OCCN1CCCOCC1 2230a_100000685342_100000211926 [0,0,0,1,0,0|2,0,0]=3 9261 B10R1.85 OCCN1CCCOCC1 269982a_100000685342_100000211926 [0,0,0,1,0,0|2,0,0]=3 9262 B10R1.85 OCCN1CCCOCC1 34a_100000685342_100000211926 [0,0,0,1,0,0|2,0,0]=3 9263 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [0,0,0,1,0,0|2,0,0]=3 9264 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [0,0,0,1,0,0|2,0,0]=3 9265 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [0,0,0,1,0,0|2,0,0]=3 9266 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [0,0,0,1,0,0|2,0,0]=3 9267 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [0,0,0,1,0,0|2,0,0]=3 9268 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [0,0,0,1,0,0|2,0,0]=3 9269 B10R1.132 CCCN1CCC1COC 2230a_100015195929_100000210303 [0,0,0,1,0,0|3,0,0]=4 9270 B10R1.132 CCCN1CCC1COC 269982a_100015195929_100000210303 [0,0,0,1,0,0|3,0,0]=4 9271 B10R1.132 CCCN1CCC1COC 34a_100015195929_100000210303 [0,0,0,1,0,0|3,0,0]=4 9272 B10R1.132 COCC1CCN1CCF 2230a_100015195929_100011217306 [0,0,0,1,0,0|3,0,0]=4 9273 B10R1.132 COCC1CCN1CCF 269982a_100015195929_100011217306 [0,0,0,1,0,0|3,0,0]=4 9274 B10R1.132 COCC1CCN1CCF 34a_100015195929_100011217306 [0,0,0,1,0,0|3,0,0]=4 9275 B10R1.132 COCC1CCN1CCO 2230a_100015195929_100000211926 [0,0,0,1,0,0|2,0,0]=3 9276 B10R1.132 COCC1CCN1CCO 269982a_100015195929_100000211926 [0,0,0,1,0,0|2,0,0]=3 9277 B10R1.132 COCC1CCN1CCO 34a_100015195929_100000211926 [0,0,0,1,0,0|2,0,0]=3 9278 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [0,0,0,1,0,0|2,0,0]=3 9279 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [0,0,0,1,0,0|2,0,0]=3 9280 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [0,0,0,1,0,0|2,0,0]=3 9281 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [0,0,0,1,0,0|2,0,0]=3 9282 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [0,0,0,1,0,0|2,0,0]=3 9283 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [0,0,0,1,0,0|2,0,0]=3 9284 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,0,0,1,0,0|2,0,1]=4 9285 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,0,0,1,0,0|2,0,0]=3 9286 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,0,0,1,0,0|2,0,0]=3 9287 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [0,0,0,1,0,0|2,0,0]=3 9288 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [0,0,0,1,0,0|2,0,0]=3 9289 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [0,0,0,1,0,0|2,0,0]=3 9290 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [0,0,0,1,0,0|2,0,0]=3 9291 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,0,0,1,0,0|2,0,1]=4 9292 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,0,0,1,0,0|2,0,0]=3 9293 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,0,0,1,0,0|2,0,0]=3 9294 B10R1.177 BrCCCCCOC1CC1 34a_100000746331_100000211595 [0,0,0,1,0,0|2,0,0]=3 9295 B10R1.177 BrCCCCOCC1CC1 34a_100011216708_100000742324 [0,0,0,1,0,0|2,0,0]=3 9296 B10R1.177 BrCCCCOCC1CO1 34a_100011216708_102125554688 [0,0,0,1,0,0|2,0,0]=3 9297 B10R1.177 BrCCCOCCC1CC1 34a_100011217188_100000694398 [0,0,0,1,0,0|2,0,0]=3 9298 B10R1.177 BrCCCOCCC1CO1 34a_100011217188_100000732470 [0,0,0,1,0,0|2,0,0]=3 9299 B10R1.177 BrCCOCCCC1CO1 34a_100000211926_100000733510 [0,0,0,1,0,0|2,0,0]=3 9300 B10R1.177 BrCCOCCOC1CC1 34a_100000692535_100000211595 [0,0,0,1,0,0|3,0,0]=4 9301 B10R1.177 C#CCCCCNC1CC1 34a_100000212008_100010269958 [0,0,0,1,0,0|2,0,1]=4 9302 B10R1.177 C#CCCCCNC1CC1 34a_100000706060_100000211595 [0,0,0,1,0,0|2,0,1]=4 9303 B10R1.177 C#CCCCCOC1CC1 34a_100000766709_100000211595 [0,0,0,1,0,0|2,0,1]=4 9304 B10R1.177 C#CCCCCSC1CC1 62a_100010269958_100000211595 [0,0,0,1,0,0|2,0,1]=4 9305 B10R1.177 C#CCCCNCC1CC1 2230a_100000735609_100000731252 [0,0,0,1,0,0|2,0,1]=4 9306 B10R1.177 C#CCCCNCC1CC1 34a_100000718082_100000742324 [0,0,0,1,0,0|2,0,1]=4 9307 B10R1.177 C#CCCCNCC1CC1 34a_100000735609_100000695029 [0,0,0,1,0,0|2,0,1]=4 9308 B10R1.177 C#CCCCNCC1CO1 34a_100000718082_102125554688 [0,0,0,1,0,0|1,0,2]=4 9309 B10R1.177 C#CCCCOCC1CC1 34a_100000211283_100000695029 [0,0,0,1,0,0|2,0,1]=4 9310 B10R1.177 C#CCCCOCC1CC1 34a_100000215630_100000742324 [0,0,0,1,0,0|2,0,1]=4 9311 B10R1.177 C#CCCCOCC1CC1 7a_100000215630_100000742324 [0,0,0,1,0,0|2,0,1]=4 9312 B10R1.177 C#CCCCOCC1CO1 34a_100000215630_102125554688 [0,0,0,1,0,0|1,0,2]=4 9313 B10R1.177 C#CCCCOCC1CO1 7a_100000215630_102125554688 [0,0,0,1,0,0|1,0,2]=4 9314 B10R1.177 C#CCCCOC[C@@H]1CO1 34a_100000757423_100000695029 [0,0,0,1,0,0|1,0,2]=4 9315 B10R1.177 C#CCCCOC[C@@H]1CO1 7a_100000215630_100000745022 [0,0,0,1,0,0|1,0,2]=4 9316 B10R1.177 C#CCCCSCC1CC1 62a_100000756562_100011215417 [0,0,0,1,0,0|2,0,1]=4 9317 B10R1.177 C#CCCCSCC1CC1 62a_100011215417_100000742324 [0,0,0,1,0,0|2,0,1]=4 9318 B10R1.177 C#CCCCSCC1CO1 62a_100011215417_102125554688 [0,0,0,1,0,0|1,0,2]=4 9319 B10R1.177 C#CCCCSCC1CO1 62a_102125554688_100011215417 [0,0,0,1,0,0|1,0,2]=4 9320 B10R1.177 C#CCCCSC[C@@H]1CO1 62a_100000745022_100011215417 [0,0,0,1,0,0|1,0,2]=4 9321 B10R1.177 C#CCCCSC[C@@H]1CO1 62a_100011215417_100000745022 [0,0,0,1,0,0|1,0,2]=4 9322 B10R1.177 C#CCCNCCC1CC1 34a_100000755551_100000694398 [0,0,0,1,0,0|2,0,1]=4 9323 B10R1.177 C#CCCNCCC1CC1 34a_100000764129_100000688953 [0,0,0,1,0,0|2,0,1]=4 9324 B10R1.177 C#CCCNCCC1CO1 34a_100000755551_100000732470 [0,0,0,1,0,0|1,0,2]=4 9325 B10R1.177 C#CCCOCCC1CC1 34a_100000754188_100000688953 [0,0,0,1,0,0|2,0,1]=4 9326 B10R1.177 C#CCCOCCC1CC1 34a_100011215631_100000694398 [0,0,0,1,0,0|2,0,1]=4 9327 B10R1.177 C#CCCOCCC1CC1 7a_100000754188_100000688953 [0,0,0,1,0,0|2,0,1]=4 9328 B10R1.177 C#CCCOCCC1CO1 34a_100011215631_100000732470 [0,0,0,1,0,0|1,0,2]=4 9329 B10R1.177 C#CCCOCC[C@@H]1CO1 34a_100009820653_100000688953 [0,0,0,1,0,0|1,0,2]=4 9330 B10R1.177 C#CCCSCCC1CC1 62a_100000688953_100000764125 [0,0,0,1,0,0|2,0,1]=4 9331 B10R1.177 C#CCCSCCC1CC1 62a_100000764125_100000688953 [0,0,0,1,0,0|2,0,1]=4 9332 B10R1.177 C#CCCSCCC1CO1 62a_100000688953_100000732470 [0,0,0,1,0,0|1,0,2]=4 9333 B10R1.177 C#CCCSCCC1CO1 62a_100000732470_100000688953 [0,0,0,1,0,0|1,0,2]=4 9334 B10R1.177 C#CCNCCCC1CO1 34a_100000212058_100000733510 [0,0,0,1,0,0|1,0,2]=4 9335 B10R1.177 C#CCOCCCC1CO1 34a_100000210247_100000733510 [0,0,0,1,0,0|1,0,2]=4 9336 B10R1.177 C#CCSCCCC1CO1 62a_100000038162_100000733510 [0,0,0,1,0,0|1,0,2]=4 9337 B10R1.177 C/C=C/CCOCC1CO1 34a_100016278192_102125554688 [0,0,0,1,0,0|1,0,2]=4 9338 B10R1.177 C/C=C/COCCC1CO1 34a_100016270725_100000732470 [0,0,0,1,0,0|1,0,2]=4 9339 B10R1.177 C/C=C/COCC[C@@H]1CO1 34a_100009820653_100102629194 [0,0,0,1,0,0|1,0,2]=4 9340 B10R1.177 C/C=C/CSCCC1CO1 62a_100000732470_100102629194 [0,0,0,1,0,0|1,0,2]=4 9341 B10R1.177 C/C=C/CSCCC1CO1 62a_100102629194_100000732470 [0,0,0,1,0,0|1,0,2]=4 9342 B10R1.177 C=CCCCCNC1CC1 34a_100000212008_100011215482 [0,0,0,1,0,0|2,0,1]=4 9343 B10R1.177 C=CCCCCNC1CC1 34a_100000703577_100000211595 [0,0,0,1,0,0|2,0,1]=4 9344 B10R1.177 C=CCCCCOC1CC1 34a_100000766645_100000211595 [0,0,0,1,0,0|2,0,1]=4 9345 B10R1.177 C=CCCCCSC1CC1 62a_100011215482_100000211595 [0,0,0,1,0,0|2,0,1]=4 9346 B10R1.177 C=CCCCNCC1CC1 2230a_100000700776_100000742324 [0,0,0,1,0,0|2,0,1]=4 9347 B10R1.177 C=CCCCNCC1CC1 2230a_100000735609_100011713584 [0,0,0,1,0,0|2,0,1]=4 9348 B10R1.177 C=CCCCNCC1CC1 269862a_100000700776_100000741477 [0,0,0,1,0,0|2,0,1]=4 9349 B10R1.177 C=CCCCNCC1CC1 34a_100000700776_100000742324 [0,0,0,1,0,0|2,0,1]=4 9350 B10R1.177 C=CCCCNCC1CC1 34a_100000735609_100000757094 [0,0,0,1,0,0|2,0,1]=4 9351 B10R1.177 C=CCCCNCC1CO1 2230a_100000700776_100011216344 [0,0,0,1,0,0|1,0,2]=4 9352 B10R1.177 C=CCCCNCC1CO1 34a_100000700776_102125554688 [0,0,0,1,0,0|1,0,2]=4 9353 B10R1.177 C=CCCCOCC1CC1 34a_100000211283_100000757094 [0,0,0,1,0,0|2,0,1]=4 9354 B10R1.177 C=CCCCOCC1CC1 34a_100000758997_100000742324 [0,0,0,1,0,0|2,0,1]=4 9355 B10R1.177 C=CCCCOCC1CC1 7a_100000758997_100000742324 [0,0,0,1,0,0|2,0,1]=4 9356 B10R1.177 C=CCCCOCC1CO1 34a_100000758997_102125554688 [0,0,0,1,0,0|1,0,2]=4 9357 B10R1.177 C=CCCCOCC1CO1 7a_100000758997_102125554688 [0,0,0,1,0,0|1,0,2]=4 9358 B10R1.177 C=CCCCOC[C@@H]1CO1 34a_100000757423_100000757094 [0,0,0,1,0,0|1,0,2]=4 9359 B10R1.177 C=CCCCOC[C@@H]1CO1 7a_100000758997_100000745022 [0,0,0,1,0,0|1,0,2]=4 9360 B10R1.177 C=CCCCSCC1CC1 62a_100000756562_100000757094 [0,0,0,1,0,0|2,0,1]=4 9361 B10R1.177 C=CCCCSCC1CC1 62a_100011713584_100000742324 [0,0,0,1,0,0|2,0,1]=4 9362 B10R1.177 C=CCCCSCC1CO1 62a_100011713584_102125554688 [0,0,0,1,0,0|1,0,2]=4 9363 B10R1.177 C=CCCCSCC1CO1 62a_102125554688_100000757094 [0,0,0,1,0,0|1,0,2]=4 9364 B10R1.177 C=CCCCSC[C@@H]1CO1 62a_100000745022_100000757094 [0,0,0,1,0,0|1,0,2]=4 9365 B10R1.177 C=CCCCSC[C@@H]1CO1 62a_100011713584_100000745022 [0,0,0,1,0,0|1,0,2]=4 9366 B10R1.177 C=CCCNCCC1CC1 2230a_100015191253_100000694398 [0,0,0,1,0,0|2,0,1]=4 9367 B10R1.177 C=CCCNCCC1CC1 34a_100000764129_100000754431 [0,0,0,1,0,0|2,0,1]=4 9368 B10R1.177 C=CCCNCCC1CO1 2230a_100015191253_100000732470 [0,0,0,1,0,0|1,0,2]=4 9369 B10R1.177 C=CCCOCCC1CC1 34a_100000754188_100000754431 [0,0,0,1,0,0|2,0,1]=4 9370 B10R1.177 C=CCCOCCC1CC1 34a_100011205117_100000694398 [0,0,0,1,0,0|2,0,1]=4 9371 B10R1.177 C=CCCOCCC1CC1 7a_100000754188_100000754431 [0,0,0,1,0,0|2,0,1]=4 9372 B10R1.177 C=CCCOCCC1CO1 34a_100011205117_100000732470 [0,0,0,1,0,0|1,0,2]=4 9373 B10R1.177 C=CCCOCC[C@@H]1CO1 34a_100009820653_100000754431 [0,0,0,1,0,0|1,0,2]=4 9374 B10R1.177 C=CCCSCCC1CC1 62a_100000754431_100000764125 [0,0,0,1,0,0|2,0,1]=4 9375 B10R1.177 C=CCCSCCC1CC1 62a_100000764125_100000754431 [0,0,0,1,0,0|2,0,1]=4 9376 B10R1.177 C=CCCSCCC1CO1 62a_100000732470_100000754431 [0,0,0,1,0,0|1,0,2]=4 9377 B10R1.177 C=CCCSCCC1CO1 62a_100000754431_100000732470 [0,0,0,1,0,0|1,0,2]=4 9378 B10R1.177 C=CCNCCCC1CO1 2230a_100020586998_100000733510 [0,0,0,1,0,0|1,0,2]=4 9379 B10R1.177 C=CCOCCCC1CO1 34a_200000210373_100000733510 [0,0,0,1,0,0|1,0,2]=4 9380 B10R1.177 C=CCSCCCC1CO1 62a_100000210623_100000733510 [0,0,0,1,0,0|1,0,2]=4 9381 B10R1.177 C=CCSCCCC1CO1 62a_100000733510_100000210623 [0,0,0,1,0,0|1,0,2]=4 9382 B10R1.177 CC#CCCOCC1CO1 34a_100000750427_102125554688 [0,0,0,1,0,0|1,0,2]=4 9383 B10R1.177 CC#CCNCCC1CO1 2230a_100000685387_100000732470 [0,0,0,1,0,0|1,0,2]=4 9384 B10R1.177 CC#CCNCCC1CO1 34a_100000685387_100000732470 [0,0,0,1,0,0|1,0,2]=4 9385 B10R1.177 CC#CCOCCC1CO1 34a_100000761923_100000732470 [0,0,0,1,0,0|1,0,2]=4 9386 B10R1.177 CC#CCOCC[C@@H]1CO1 34a_100009820653_100000748600 [0,0,0,1,0,0|1,0,2]=4 9387 B10R1.177 CC#CCSCCC1CO1 62a_100000732470_100000748600 [0,0,0,1,0,0|1,0,2]=4 9388 B10R1.177 CC#CCSCCC1CO1 62a_100000748600_100000732470 [0,0,0,1,0,0|1,0,2]=4 9389 B10R1.177 CC/C=C\COCC1CO1 34a_100016268518_102125554688 [0,0,0,1,0,0|1,0,2]=4 9390 B10R1.177 CC/C=C\COC[C@@H]1CO1 34a_100000757423_100103147603 [0,0,0,1,0,0|1,0,2]=4 9391 B10R1.177 CC/C=C\CSCC1CO1 62a_100103147603_102125554688 [0,0,0,1,0,0|1,0,2]=4 9392 B10R1.177 CC/C=C\CSCC1CO1 62a_102125554688_100103147603 [0,0,0,1,0,0|1,0,2]=4 9393 B10R1.177 CC/C=C\CSC[C@@H]1CO1 62a_100000745022_100103147603 [0,0,0,1,0,0|1,0,2]=4 9394 B10R1.177 CC/C=C\CSC[C@@H]1CO1 62a_100103147603_100000745022 [0,0,0,1,0,0|1,0,2]=4 9395 B10R1.177 CC=CCOCC[C@@H]1CO1 34a_100009820653_100000070051 [0,0,0,1,0,0|1,0,2]=4 9396 B10R1.177 CC=CCSCCC1CO1 62a_100000070051_100000732470 [0,0,0,1,0,0|1,0,2]=4 9397 B10R1.177 CC=CCSCCC1CO1 62a_100000732470_100000070051 [0,0,0,1,0,0|1,0,2]=4 9398 B10R1.177 CCC#CCOCC1CO1 34a_100000032950_102125554688 [0,0,0,1,0,0|1,0,2]=4 9399 B10R1.177 CCC#CCOC[C@@H]1CO1 34a_100000757423_100009813939 [0,0,0,1,0,0|1,0,2]=4 9400 B10R1.177 CCC#CCSCC1CO1 62a_100009813939_102125554688 [0,0,0,1,0,0|1,0,2]=4 9401 B10R1.177 CCC#CCSCC1CO1 62a_102125554688_100009813939 [0,0,0,1,0,0|1,0,2]=4 9402 B10R1.177 CCC#CCSC[C@@H]1CO1 62a_100000745022_100009813939 [0,0,0,1,0,0|1,0,2]=4 9403 B10R1.177 CCC#CCSC[C@@H]1CO1 62a_100009813939_100000745022 [0,0,0,1,0,0|1,0,2]=4 9404 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [0,0,0,1,0,0|2,0,0]=3 9405 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [0,0,0,1,0,0|2,0,0]=3 9406 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [0,0,0,1,0,0|2,0,0]=3 9407 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [0,0,0,1,0,0|2,0,0]=3 9408 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [0,0,0,1,0,0|2,0,0]=3 9409 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [0,0,0,1,0,0|2,0,0]=3 9410 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [0,0,0,1,0,0|2,0,0]=3 9411 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [0,0,0,1,0,0|1,0,0]=2 9412 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [0,0,0,1,0,0|2,0,0]=3 9413 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [0,0,0,1,0,0|2,0,0]=3 9414 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [0,0,0,1,0,0|2,0,0]=3 9415 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [0,0,0,1,0,0|1,0,0]=2 9416 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [0,0,0,1,0,0|1,0,0]=2 9417 B10R1.177 CCCCCOCC1CS1 7a_100000210253_100000031435 [0,0,0,1,0,0|1,1,0]=3 9418 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [0,0,0,1,0,0|1,0,0]=2 9419 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [0,0,0,1,0,0|1,0,0]=2 9420 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [0,0,0,1,0,0|2,0,0]=3 9421 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [0,0,0,1,0,0|2,0,0]=3 9422 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [0,0,0,1,0,0|1,0,0]=2 9423 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [0,0,0,1,0,0|1,0,0]=2 9424 B10R1.177 CCCCCSCC1CS1 62a_100000031435_100000210326 [0,0,0,1,0,0|1,1,0]=3 9425 B10R1.177 CCCCCSCC1CS1 62a_100000210326_100000031435 [0,0,0,1,0,0|1,1,0]=3 9426 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [0,0,0,1,0,0|1,0,0]=2 9427 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [0,0,0,1,0,0|1,0,0]=2 9428 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [0,0,0,1,0,0|2,0,0]=3 9429 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [0,0,0,1,0,0|2,0,0]=3 9430 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [0,0,0,1,0,0|2,0,0]=3 9431 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [0,0,0,1,0,0|1,0,0]=2 9432 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [0,0,0,1,0,0|1,0,0]=2 9433 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [0,0,0,1,0,0|2,0,0]=3 9434 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [0,0,0,1,0,0|2,0,0]=3 9435 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [0,0,0,1,0,0|2,0,0]=3 9436 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [0,0,0,1,0,0|2,0,0]=3 9437 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [0,0,0,1,0,0|1,0,0]=2 9438 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [0,0,0,1,0,0|1,0,0]=2 9439 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [0,0,0,1,0,0|1,0,0]=2 9440 B10R1.177 CCCCOCNC1CC1 34a_100000212008_100011995733 [0,0,0,1,0,0|3,0,0]=4 9441 B10R1.177 CCCCOCSC1CC1 62a_100011995733_100000211595 [0,0,0,1,0,0|3,0,0]=4 9442 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [0,0,0,1,0,0|2,0,0]=3 9443 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [0,0,0,1,0,0|2,0,0]=3 9444 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [0,0,0,1,0,0|1,0,0]=2 9445 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [0,0,0,1,0,0|1,0,0]=2 9446 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,0,0,1,0,0|1,0,0]=2 9447 B10R1.177 CCCOCCNC1CC1 34a_100000212008_100011215938 [0,0,0,1,0,0|3,0,0]=4 9448 B10R1.177 CCCOCCNC1CC1 34a_100000738766_100000210303 [0,0,0,1,0,0|3,0,0]=4 9449 B10R1.177 CCCOCCNC1CC1 34a_100161115042_100000211595 [0,0,0,1,0,0|3,0,0]=4 9450 B10R1.177 CCCOCCOC1CC1 34a_100000752267_100000211595 [0,0,0,1,0,0|3,0,0]=4 9451 B10R1.177 CCCOCCSC1CC1 62a_100011215938_100000211595 [0,0,0,1,0,0|3,0,0]=4 9452 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,0,0,1,0,0|1,0,0]=2 9453 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,0,0,1,0,0|1,0,0]=2 9454 B10R1.177 CCCSCCOC1CC1 34a_200000230433_100000211595 [0,0,0,1,0,0|3,0,0]=4 9455 B10R1.177 CCOCCCNC1CC1 34a_100000210961_100000211595 [0,0,0,1,0,0|3,0,0]=4 9456 B10R1.177 CCOCCCNC1CC1 34a_100000212008_100012232248 [0,0,0,1,0,0|3,0,0]=4 9457 B10R1.177 CCOCCCOC1CC1 34a_100000757476_100000211595 [0,0,0,1,0,0|3,0,0]=4 9458 B10R1.177 CCOCCCSC1CC1 62a_100012232248_100000211595 [0,0,0,1,0,0|3,0,0]=4 9459 B10R1.177 CCOCCNCC1CC1 2230a_100000735609_100011215890 [0,0,0,1,0,0|3,0,0]=4 9460 B10R1.177 CCOCCNCC1CC1 2230a_102516460346_100000742324 [0,0,0,1,0,0|3,0,0]=4 9461 B10R1.177 CCOCCNCC1CC1 269862a_100011200944_100000741477 [0,0,0,1,0,0|3,0,0]=4 9462 B10R1.177 CCOCCNCC1CC1 34a_100000735609_100000210147 [0,0,0,1,0,0|3,0,0]=4 9463 B10R1.177 CCOCCNCC1CC1 34a_102516460346_100000742324 [0,0,0,1,0,0|3,0,0]=4 9464 B10R1.177 CCOCCNCC1CO1 2230a_102516460346_100011216344 [0,0,0,1,0,0|2,0,0]=3 9465 B10R1.177 CCOCCNCC1CO1 34a_102516460346_102125554688 [0,0,0,1,0,0|2,0,0]=3 9466 B10R1.177 CCOCCOCC1CC1 34a_100000210136_100000742324 [0,0,0,1,0,0|3,0,0]=4 9467 B10R1.177 CCOCCOCC1CC1 34a_100000211283_100000210147 [0,0,0,1,0,0|3,0,0]=4 9468 B10R1.177 CCOCCOCC1CC1 7a_100000210136_100000742324 [0,0,0,1,0,0|3,0,0]=4 9469 B10R1.177 CCOCCOCC1CO1 34a_100000210136_102125554688 [0,0,0,1,0,0|2,0,0]=3 9470 B10R1.177 CCOCCOCC1CO1 7a_100000210136_102125554688 [0,0,0,1,0,0|2,0,0]=3 9471 B10R1.177 CCOCCOCC1CS1 7a_100000210136_100000031435 [0,0,0,1,0,0|2,1,0]=4 9472 B10R1.177 CCOCCOC[C@@H]1CO1 34a_100000757423_100000210147 [0,0,0,1,0,0|2,0,0]=3 9473 B10R1.177 CCOCCOC[C@@H]1CO1 7a_100000210136_100000745022 [0,0,0,1,0,0|2,0,0]=3 9474 B10R1.177 CCOCCSCC1CC1 62a_100000210147_100000742324 [0,0,0,1,0,0|3,0,0]=4 9475 B10R1.177 CCOCCSCC1CC1 62a_100000756562_100011215890 [0,0,0,1,0,0|3,0,0]=4 9476 B10R1.177 CCOCCSCC1CO1 62a_100000210147_102125554688 [0,0,0,1,0,0|2,0,0]=3 9477 B10R1.177 CCOCCSCC1CO1 62a_102125554688_100011215890 [0,0,0,1,0,0|2,0,0]=3 9478 B10R1.177 CCOCCSCC1CS1 62a_100000031435_100011215890 [0,0,0,1,0,0|2,1,0]=4 9479 B10R1.177 CCOCCSCC1CS1 62a_100000210147_100000031435 [0,0,0,1,0,0|2,1,0]=4 9480 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000210147_100000745022 [0,0,0,1,0,0|2,0,0]=3 9481 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000745022_100011215890 [0,0,0,1,0,0|2,0,0]=3 9482 B10R1.177 CCOCSCCC1CC1 62a_100000739092_100000764125 [0,0,0,1,0,0|3,0,0]=4 9483 B10R1.177 CCOCSCCC1CC1 62a_100000764125_100000739092 [0,0,0,1,0,0|3,0,0]=4 9484 B10R1.177 CCOCSCCC1CO1 62a_100000732470_100000739092 [0,0,0,1,0,0|2,0,0]=3 9485 B10R1.177 CCOCSCCC1CO1 62a_100000739092_100000732470 [0,0,0,1,0,0|2,0,0]=3 9486 B10R1.177 CCSCCCOC1CC1 34a_100011216438_100000211595 [0,0,0,1,0,0|3,0,0]=4 9487 B10R1.177 CCSCCNCC1CC1 2230a_100000106463_100000742324 [0,0,0,1,0,0|3,0,0]=4 9488 B10R1.177 CCSCCNCC1CC1 2230a_100000735609_100000757381 [0,0,0,1,0,0|3,0,0]=4 9489 B10R1.177 CCSCCNCC1CC1 269862a_100000106463_100000741477 [0,0,0,1,0,0|3,0,0]=4 9490 B10R1.177 CCSCCNCC1CC1 34a_100000735609_100000757381 [0,0,0,1,0,0|3,0,0]=4 9491 B10R1.177 CCSCCNCC1CO1 2230a_100000106463_100011216344 [0,0,0,1,0,0|2,0,0]=3 9492 B10R1.177 CCSCCOCC1CC1 34a_100000211283_100000757381 [0,0,0,1,0,0|3,0,0]=4 9493 B10R1.177 CCSCCOCC1CC1 34a_100000212035_100000742324 [0,0,0,1,0,0|3,0,0]=4 9494 B10R1.177 CCSCCOCC1CC1 7a_100000212035_100000742324 [0,0,0,1,0,0|3,0,0]=4 9495 B10R1.177 CCSCCOCC1CO1 34a_100000212035_102125554688 [0,0,0,1,0,0|2,0,0]=3 9496 B10R1.177 CCSCCOCC1CO1 7a_100000212035_102125554688 [0,0,0,1,0,0|2,0,0]=3 9497 B10R1.177 CCSCCOCC1CS1 7a_100000212035_100000031435 [0,0,0,1,0,0|2,1,0]=4 9498 B10R1.177 CCSCCOC[C@@H]1CO1 34a_100000757423_100000757381 [0,0,0,1,0,0|2,0,0]=3 9499 B10R1.177 CCSCCOC[C@@H]1CO1 7a_100000212035_100000745022 [0,0,0,1,0,0|2,0,0]=3 9500 B10R1.177 CCSCCSCC1CC1 62a_100000756562_100000757381 [0,0,0,1,0,0|3,0,0]=4 9501 B10R1.177 CCSCCSCC1CC1 62a_100000757381_100000742324 [0,0,0,1,0,0|3,0,0]=4 9502 B10R1.177 CCSCCSCC1CO1 62a_100000757381_102125554688 [0,0,0,1,0,0|2,0,0]=3 9503 B10R1.177 CCSCCSCC1CO1 62a_102125554688_100000757381 [0,0,0,1,0,0|2,0,0]=3 9504 B10R1.177 CCSCCSCC1CS1 62a_100000031435_100000757381 [0,0,0,1,0,0|2,1,0]=4 9505 B10R1.177 CCSCCSCC1CS1 62a_100000757381_100000031435 [0,0,0,1,0,0|2,1,0]=4 9506 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000745022_100000757381 [0,0,0,1,0,0|2,0,0]=3 9507 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000757381_100000745022 [0,0,0,1,0,0|2,0,0]=3 9508 B10R1.177 CNCCCOCC1CC1 34a_100000213112_100000742324 [0,0,0,1,0,0|3,0,0]=4 9509 B10R1.177 CNCCCOCC1CO1 34a_100000213112_102125554688 [0,0,0,1,0,0|2,0,0]=3 9510 B10R1.177 COCCCCNC1CC1 34a_100000212008_100000755781 [0,0,0,1,0,0|3,0,0]=4 9511 B10R1.177 COCCCCOC1CC1 34a_100000740925_100000211595 [0,0,0,1,0,0|3,0,0]=4 9512 B10R1.177 COCCCCSC1CC1 62a_100000730899_100000211595 [0,0,0,1,0,0|3,0,0]=4 9513 B10R1.177 COCCCNCC1CC1 2230a_100000735609_100000740836 [0,0,0,1,0,0|3,0,0]=4 9514 B10R1.177 COCCCNCC1CC1 269862a_100150723488_100000741477 [0,0,0,1,0,0|3,0,0]=4 9515 B10R1.177 COCCCNCC1CC1 34a_100000735609_100000740836 [0,0,0,1,0,0|3,0,0]=4 9516 B10R1.177 COCCCNCC1CC1 34a_100150723488_100000742324 [0,0,0,1,0,0|3,0,0]=4 9517 B10R1.177 COCCCNCC1CO1 34a_100150723488_102125554688 [0,0,0,1,0,0|2,0,0]=3 9518 B10R1.177 COCCCOCC1CC1 34a_100000211283_100000740836 [0,0,0,1,0,0|3,0,0]=4 9519 B10R1.177 COCCCOCC1CC1 34a_100000740835_100000742324 [0,0,0,1,0,0|3,0,0]=4 9520 B10R1.177 COCCCOCC1CO1 34a_100000740835_102125554688 [0,0,0,1,0,0|2,0,0]=3 9521 B10R1.177 COCCCOC[C@@H]1CO1 34a_100000757423_100000740836 [0,0,0,1,0,0|2,0,0]=3 9522 B10R1.177 COCCCSCC1CC1 62a_100000709357_100000742324 [0,0,0,1,0,0|3,0,0]=4 9523 B10R1.177 COCCCSCC1CC1 62a_100000756562_100000709357 [0,0,0,1,0,0|3,0,0]=4 9524 B10R1.177 COCCCSCC1CO1 62a_100000709357_102125554688 [0,0,0,1,0,0|2,0,0]=3 9525 B10R1.177 COCCCSCC1CO1 62a_102125554688_100000709357 [0,0,0,1,0,0|2,0,0]=3 9526 B10R1.177 COCCCSCC1CS1 62a_100000031435_100000709357 [0,0,0,1,0,0|2,1,0]=4 9527 B10R1.177 COCCCSCC1CS1 62a_100000709357_100000031435 [0,0,0,1,0,0|2,1,0]=4 9528 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000709357_100000745022 [0,0,0,1,0,0|2,0,0]=3 9529 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000745022_100000709357 [0,0,0,1,0,0|2,0,0]=3 9530 B10R1.177 COCCNCCC1CC1 2230a_100000209980_100000694398 [0,0,0,1,0,0|3,0,0]=4 9531 B10R1.177 COCCNCCC1CC1 34a_100000764129_100011201679 [0,0,0,1,0,0|3,0,0]=4 9532 B10R1.177 COCCNCCC1CO1 2230a_100000209980_100000732470 [0,0,0,1,0,0|2,0,0]=3 9533 B10R1.177 COCCOCCC1CC1 34a_100000210237_100000694398 [0,0,0,1,0,0|3,0,0]=4 9534 B10R1.177 COCCOCCC1CC1 34a_100000754188_100011201679 [0,0,0,1,0,0|3,0,0]=4 9535 B10R1.177 COCCOCCC1CC1 7a_100000754188_100000233755 [0,0,0,1,0,0|3,0,0]=4 9536 B10R1.177 COCCOCCC1CO1 34a_100000210237_100000732470 [0,0,0,1,0,0|2,0,0]=3 9537 B10R1.177 COCCOCC[C@@H]1CO1 34a_100009820653_100011201679 [0,0,0,1,0,0|2,0,0]=3 9538 B10R1.177 COCCSCCC1CC1 62a_100000233755_100000764125 [0,0,0,1,0,0|3,0,0]=4 9539 B10R1.177 COCCSCCC1CC1 62a_100000764125_100000233755 [0,0,0,1,0,0|3,0,0]=4 9540 B10R1.177 COCCSCCC1CO1 62a_100000233755_100000732470 [0,0,0,1,0,0|2,0,0]=3 9541 B10R1.177 COCCSCCC1CO1 62a_100000732470_100000233755 [0,0,0,1,0,0|2,0,0]=3 9542 B10R1.177 COCSCCCC1CO1 62a_100000733510_100000766300 [0,0,0,1,0,0|2,0,0]=3 9543 B10R1.177 COCSCCCC1CO1 62a_100000766300_100000733510 [0,0,0,1,0,0|2,0,0]=3 9544 B10R1.177 CSCCCCOC1CC1 34a_100011217163_100000211595 [0,0,0,1,0,0|3,0,0]=4 9545 B10R1.177 CSCCCNCC1CC1 2230a_100000749238_100000742324 [0,0,0,1,0,0|3,0,0]=4 9546 B10R1.177 CSCCCNCC1CC1 269862a_100000749238_100000741477 [0,0,0,1,0,0|3,0,0]=4 9547 B10R1.177 CSCCCNCC1CO1 2230a_100000749238_100011216344 [0,0,0,1,0,0|2,0,0]=3 9548 B10R1.177 CSCCCOCC1CC1 34a_100000690336_100000742324 [0,0,0,1,0,0|3,0,0]=4 9549 B10R1.177 CSCCCOCC1CC1 7a_100000690336_100000742324 [0,0,0,1,0,0|3,0,0]=4 9550 B10R1.177 CSCCCOCC1CO1 34a_100000690336_102125554688 [0,0,0,1,0,0|2,0,0]=3 9551 B10R1.177 CSCCCOCC1CO1 7a_100000690336_102125554688 [0,0,0,1,0,0|2,0,0]=3 9552 B10R1.177 CSCCCOCC1CS1 7a_100000690336_100000031435 [0,0,0,1,0,0|2,1,0]=4 9553 B10R1.177 CSCCCOC[C@@H]1CO1 7a_100000690336_100000745022 [0,0,0,1,0,0|2,0,0]=3 9554 B10R1.177 CSCCNCCC1CC1 2230a_100020590264_100000694398 [0,0,0,1,0,0|3,0,0]=4 9555 B10R1.177 CSCCNCCC1CC1 34a_100000764129_100000212216 [0,0,0,1,0,0|3,0,0]=4 9556 B10R1.177 CSCCNCCC1CO1 2230a_100020590264_100000732470 [0,0,0,1,0,0|2,0,0]=3 9557 B10R1.177 CSCCOCCC1CC1 34a_100000230434_100000694398 [0,0,0,1,0,0|3,0,0]=4 9558 B10R1.177 CSCCOCCC1CC1 34a_100000754188_100000212216 [0,0,0,1,0,0|3,0,0]=4 9559 B10R1.177 CSCCOCCC1CC1 7a_100000230434_100000764125 [0,0,0,1,0,0|3,0,0]=4 9560 B10R1.177 CSCCOCCC1CC1 7a_100000754188_100000212216 [0,0,0,1,0,0|3,0,0]=4 9561 B10R1.177 CSCCOCCC1CO1 34a_100000230434_100000732470 [0,0,0,1,0,0|2,0,0]=3 9562 B10R1.177 CSCCOCCC1CO1 7a_100000230434_100000732470 [0,0,0,1,0,0|2,0,0]=3 9563 B10R1.177 CSCCOCC[C@@H]1CO1 34a_100009820653_100000212216 [0,0,0,1,0,0|2,0,0]=3 9564 B10R1.177 CSCCSCCC1CC1 62a_100000212216_100000764125 [0,0,0,1,0,0|3,0,0]=4 9565 B10R1.177 CSCCSCCC1CC1 62a_100000764125_100000751147 [0,0,0,1,0,0|3,0,0]=4 9566 B10R1.177 CSCCSCCC1CO1 62a_100000212216_100000732470 [0,0,0,1,0,0|2,0,0]=3 9567 B10R1.177 CSCCSCCC1CO1 62a_100000732470_100000751147 [0,0,0,1,0,0|2,0,0]=3 9568 B10R1.177 CSCSCCCC1CO1 62a_100000733510_100011218213 [0,0,0,1,0,0|2,0,0]=3 9569 B10R1.177 CSCSCCCC1CO1 62a_100011218213_100000733510 [0,0,0,1,0,0|2,0,0]=3 9570 B10R1.177 ClCCCCCOC1CC1 34a_100000746330_100000211595 [0,0,0,1,0,0|2,0,0]=3 9571 B10R1.177 ClCCCCOCC1CC1 34a_100000210776_100000742324 [0,0,0,1,0,0|2,0,0]=3 9572 B10R1.177 ClCCCCOCC1CC1 7a_100000210776_100000742324 [0,0,0,1,0,0|2,0,0]=3 9573 B10R1.177 ClCCCCOCC1CO1 34a_100000210776_102125554688 [0,0,0,1,0,0|2,0,0]=3 9574 B10R1.177 ClCCCCOCC1CO1 7a_100000210776_102125554688 [0,0,0,1,0,0|2,0,0]=3 9575 B10R1.177 ClCCCCOCC1CS1 7a_100000210776_100000031435 [0,0,0,1,0,0|2,1,0]=4 9576 B10R1.177 ClCCCCOC[C@@H]1CO1 7a_100000210776_100000745022 [0,0,0,1,0,0|2,0,0]=3 9577 B10R1.177 ClCCCOCCC1CC1 34a_100000230001_100000694398 [0,0,0,1,0,0|2,0,0]=3 9578 B10R1.177 ClCCCOCCC1CO1 34a_100000230001_100000732470 [0,0,0,1,0,0|2,0,0]=3 9579 B10R1.177 ClCCOCCOC1CC1 34a_100011215305_100000211595 [0,0,0,1,0,0|3,0,0]=4 9580 B10R1.177 FCCCCCNC1CC1 34a_100000212008_100000729378 [0,0,0,1,0,0|2,0,0]=3 9581 B10R1.177 FCCCCCSC1CC1 62a_100000729378_100000211595 [0,0,0,1,0,0|2,0,0]=3 9582 B10R1.177 FCCCCNCC1CC1 2230a_100000735609_100000729493 [0,0,0,1,0,0|2,0,0]=3 9583 B10R1.177 FCCCCNCC1CC1 34a_100000735609_100000729493 [0,0,0,1,0,0|2,0,0]=3 9584 B10R1.177 FCCCCOCC1CC1 34a_100000211283_100000729493 [0,0,0,1,0,0|2,0,0]=3 9585 B10R1.177 FCCCCOCC1CC1 34a_100011995726_100000742324 [0,0,0,1,0,0|2,0,0]=3 9586 B10R1.177 FCCCCOCC1CC1 7a_100011995726_100000742324 [0,0,0,1,0,0|2,0,0]=3 9587 B10R1.177 FCCCCOCC1CO1 34a_100011995726_102125554688 [0,0,0,1,0,0|2,0,0]=3 9588 B10R1.177 FCCCCOCC1CO1 7a_100011995726_102125554688 [0,0,0,1,0,0|2,0,0]=3 9589 B10R1.177 FCCCCOCC1CS1 7a_100011995726_100000031435 [0,0,0,1,0,0|2,1,0]=4 9590 B10R1.177 FCCCCOC[C@@H]1CO1 34a_100000757423_100000729493 [0,0,0,1,0,0|2,0,0]=3 9591 B10R1.177 FCCCCOC[C@@H]1CO1 7a_100011995726_100000745022 [0,0,0,1,0,0|2,0,0]=3 9592 B10R1.177 FCCCCSCC1CC1 62a_100000729493_100000742324 [0,0,0,1,0,0|2,0,0]=3 9593 B10R1.177 FCCCCSCC1CC1 62a_100000756562_100000729493 [0,0,0,1,0,0|2,0,0]=3 9594 B10R1.177 FCCCCSCC1CO1 62a_100000729493_102125554688 [0,0,0,1,0,0|2,0,0]=3 9595 B10R1.177 FCCCCSCC1CO1 62a_102125554688_100000729493 [0,0,0,1,0,0|2,0,0]=3 9596 B10R1.177 FCCCCSCC1CS1 62a_100000031435_100000729493 [0,0,0,1,0,0|2,1,0]=4 9597 B10R1.177 FCCCCSCC1CS1 62a_100000729493_100000031435 [0,0,0,1,0,0|2,1,0]=4 9598 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000729493_100000745022 [0,0,0,1,0,0|2,0,0]=3 9599 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000745022_100000729493 [0,0,0,1,0,0|2,0,0]=3 9600 B10R1.177 FCCCNCCC1CC1 2230a_100015189416_100000694398 [0,0,0,1,0,0|2,0,0]=3 9601 B10R1.177 FCCCNCCC1CC1 34a_100000764129_100011934791 [0,0,0,1,0,0|2,0,0]=3 9602 B10R1.177 FCCCNCCC1CC1 34a_100015189416_100000694398 [0,0,0,1,0,0|2,0,0]=3 9603 B10R1.177 FCCCNCCC1CO1 2230a_100015189416_100000732470 [0,0,0,1,0,0|2,0,0]=3 9604 B10R1.177 FCCCNCCC1CO1 34a_100015189416_100000732470 [0,0,0,1,0,0|2,0,0]=3 9605 B10R1.177 FCCCOCCC1CC1 34a_100000754188_100011934791 [0,0,0,1,0,0|2,0,0]=3 9606 B10R1.177 FCCCOCCC1CC1 34a_100000759539_100000694398 [0,0,0,1,0,0|2,0,0]=3 9607 B10R1.177 FCCCOCCC1CC1 7a_100000754188_100011934791 [0,0,0,1,0,0|2,0,0]=3 9608 B10R1.177 FCCCOCCC1CO1 34a_100000759539_100000732470 [0,0,0,1,0,0|2,0,0]=3 9609 B10R1.177 FCCCOCC[C@@H]1CO1 34a_100009820653_100011934791 [0,0,0,1,0,0|2,0,0]=3 9610 B10R1.177 FCCCSCCC1CC1 62a_100000764125_100011934791 [0,0,0,1,0,0|2,0,0]=3 9611 B10R1.177 FCCCSCCC1CC1 62a_100011934791_100000764125 [0,0,0,1,0,0|2,0,0]=3 9612 B10R1.177 FCCCSCCC1CO1 62a_100000732470_100011934791 [0,0,0,1,0,0|2,0,0]=3 9613 B10R1.177 FCCCSCCC1CO1 62a_100011934791_100000732470 [0,0,0,1,0,0|2,0,0]=3 9614 B10R1.177 FCCNCCCC1CO1 34a_100000724931_100000733510 [0,0,0,1,0,0|2,0,0]=3 9615 B10R1.177 FCCOCCNC1CC1 34a_100000738766_100011217306 [0,0,0,1,0,0|3,0,0]=4 9616 B10R1.177 FCCOCCOC1CC1 34a_200015357709_100000211595 [0,0,0,1,0,0|3,0,0]=4 9617 B10R1.177 FCCSCCCC1CO1 62a_100000733510_100011217306 [0,0,0,1,0,0|2,0,0]=3 9618 B10R1.177 FCCSCCCC1CO1 62a_100011217306_100000733510 [0,0,0,1,0,0|2,0,0]=3 9619 B10R1.177 ICCCCCOC1CC1 34a_200012148887_100000211595 [0,0,0,1,0,0|2,0,0]=3 9620 B10R1.177 ICCCCOCC1CC1 34a_200012148704_100000742324 [0,0,0,1,0,0|2,0,0]=3 9621 B10R1.177 ICCCCOCC1CO1 34a_200012148704_102125554688 [0,0,0,1,0,0|2,0,0]=3 9622 B10R1.177 ICCOCCOC1CC1 34a_100012149058_100000211595 [0,0,0,1,0,0|3,0,0]=4 9623 B10R1.177 N#CCCCCSC1CC1 62a_100011219923_100000211595 [0,0,0,1,0,0|2,0,1]=4 9624 B10R1.177 N#CCCCNCC1CC1 2230a_100000735609_100000687738 [0,0,0,1,0,0|2,0,1]=4 9625 B10R1.177 N#CCCCSCC1CC1 62a_100000687738_100000742324 [0,0,0,1,0,0|2,0,1]=4 9626 B10R1.177 N#CCCCSCC1CC1 62a_100000756562_100000687738 [0,0,0,1,0,0|2,0,1]=4 9627 B10R1.177 N#CCCCSCC1CO1 62a_100000687738_102125554688 [0,0,0,1,0,0|2,0,1]=4 9628 B10R1.177 N#CCCCSCC1CO1 62a_102125554688_100000687738 [0,0,0,1,0,0|2,0,1]=4 9629 B10R1.177 N#CCCCSC[C@@H]1CO1 62a_100000687738_100000745022 [0,0,0,1,0,0|2,0,1]=4 9630 B10R1.177 N#CCCCSC[C@@H]1CO1 62a_100000745022_100000687738 [0,0,0,1,0,0|2,0,1]=4 9631 B10R1.177 N#CCCOCCC1CC1 7a_100000754188_100000184422 [0,0,0,1,0,0|2,0,1]=4 9632 B10R1.177 N#CCCSCCC1CC1 62a_100000764125_100011215226 [0,0,0,1,0,0|2,0,1]=4 9633 B10R1.177 N#CCCSCCC1CC1 62a_100011215226_100000764125 [0,0,0,1,0,0|2,0,1]=4 9634 B10R1.177 N#CCCSCCC1CO1 62a_100000732470_100011215226 [0,0,0,1,0,0|2,0,1]=4 9635 B10R1.177 N#CCCSCCC1CO1 62a_100011215226_100000732470 [0,0,0,1,0,0|2,0,1]=4 9636 B10R1.177 N#CCSCCCC1CO1 62a_100000733510_100011215382 [0,0,0,1,0,0|2,0,1]=4 9637 B10R1.177 N#CCSCCCC1CO1 62a_100011215382_100000733510 [0,0,0,1,0,0|2,0,1]=4 9638 B10R1.177 NCCCCCOC1CC1 34a_100000762737_100000211595 [0,0,0,1,0,0|2,0,0]=3 9639 B10R1.177 NCCCCOCC1CC1 34a_100000750430_100000742324 [0,0,0,1,0,0|2,0,0]=3 9640 B10R1.177 NCCCCOCC1CO1 34a_100000750430_102125554688 [0,0,0,1,0,0|2,0,0]=3 9641 B10R1.177 NCCCOCCC1CC1 34a_100000182051_100000694398 [0,0,0,1,0,0|2,0,0]=3 9642 B10R1.177 NCCCOCCC1CO1 34a_100000182051_100000732470 [0,0,0,1,0,0|2,0,0]=3 9643 B10R1.177 NCCOCCCC1CO1 34a_100000210304_100000733510 [0,0,0,1,0,0|2,0,0]=3 9644 B10R1.177 NCCOCCOC1CC1 34a_100000211614_100000211595 [0,0,0,1,0,0|3,0,0]=4 9645 B10R1.177 NOCCOCCC1CC1 34a_100000700252_100000694398 [0,0,0,1,0,0|3,0,0]=4 9646 B10R1.177 NOCCOCCC1CO1 34a_100000700252_100000732470 [0,0,0,1,0,0|3,0,0]=4 9647 B10R1.177 O=CCCCCSC1CC1 62a_100000139335_100000211595 [0,0,0,1,0,0|1,0,2]=4 9648 B10R1.177 O=CCCCNCC1CC1 2230a_100000735609_200011292268 [0,0,0,1,0,0|1,0,2]=4 9649 B10R1.177 O=CCCCSCC1CC1 62a_100000756562_200011292268 [0,0,0,1,0,0|1,0,2]=4 9650 B10R1.177 O=CCCCSCC1CC1 62a_200011292268_100000742324 [0,0,0,1,0,0|1,0,2]=4 9651 B10R1.177 O=CCCCSCC1CO1 62a_102125554688_200011292268 [0,0,0,1,0,0|2,0,1]=4 9652 B10R1.177 O=CCCCSCC1CO1 62a_200011292268_102125554688 [0,0,0,1,0,0|2,0,1]=4 9653 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_100000745022_200011292268 [0,0,0,1,0,0|2,0,1]=4 9654 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_200011292268_100000745022 [0,0,0,1,0,0|2,0,1]=4 9655 B10R1.177 O=CCSCCCC1CO1 62a_100000733510_200015260668 [0,0,0,1,0,0|2,0,1]=4 9656 B10R1.177 O=CCSCCCC1CO1 62a_200015260668_100000733510 [0,0,0,1,0,0|2,0,1]=4 9657 B10R1.177 OCC#CCNCC1CC1 2230a_100000735609_200000047223 [0,0,0,1,0,0|1,0,2]=4 9658 B10R1.177 OCC#CCNCC1CC1 34a_100000735609_200000047223 [0,0,0,1,0,0|1,0,2]=4 9659 B10R1.177 OCC#CCOCC1CC1 34a_100000211283_200000047223 [0,0,0,1,0,0|1,0,2]=4 9660 B10R1.177 OCC#CCSCC1CC1 62a_100000756562_200000047223 [0,0,0,1,0,0|1,0,2]=4 9661 B10R1.177 OCC#CCSCC1CC1 62a_200000047223_100000742324 [0,0,0,1,0,0|1,0,2]=4 9662 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [0,0,0,1,0,0|1,0,0]=2 9663 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [0,0,0,1,0,0|1,0,0]=2 9664 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [0,0,0,1,0,0|1,0,0]=2 9665 B10R1.177 OCCCCNCC1CC1 2230a_100000735609_100000210776 [0,0,0,1,0,0|1,0,0]=2 9666 B10R1.177 OCCCCNCC1CC1 2230a_100000750430_100000742324 [0,0,0,1,0,0|1,0,0]=2 9667 B10R1.177 OCCCCNCC1CC1 269862a_100000750430_100000741477 [0,0,0,1,0,0|1,0,0]=2 9668 B10R1.177 OCCCCNCC1CC1 34a_100000735609_100011216708 [0,0,0,1,0,0|1,0,0]=2 9669 B10R1.177 OCCCCNCC1CC1 34a_100000750430_100000742324 [0,0,0,1,0,0|1,0,0]=2 9670 B10R1.177 OCCCCNCC1CO1 2230a_100000750430_100011216344 [0,0,0,1,0,0|2,0,0]=3 9671 B10R1.177 OCCCCNCC1CO1 34a_100000750430_102125554688 [0,0,0,1,0,0|2,0,0]=3 9672 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [0,0,0,1,0,0|1,0,0]=2 9673 B10R1.177 OCCCCOC[C@@H]1CO1 34a_100000757423_100011216708 [0,0,0,1,0,0|2,0,0]=3 9674 B10R1.177 OCCCCSCC1CC1 62a_100000210776_100000742324 [0,0,0,1,0,0|1,0,0]=2 9675 B10R1.177 OCCCCSCC1CC1 62a_100000756562_100000210776 [0,0,0,1,0,0|1,0,0]=2 9676 B10R1.177 OCCCCSCC1CO1 62a_100000210776_102125554688 [0,0,0,1,0,0|2,0,0]=3 9677 B10R1.177 OCCCCSCC1CO1 62a_102125554688_100000210776 [0,0,0,1,0,0|2,0,0]=3 9678 B10R1.177 OCCCCSCC1CS1 62a_100000031435_100000210776 [0,0,0,1,0,0|2,0,0]=3 9679 B10R1.177 OCCCCSCC1CS1 62a_100000210776_100000031435 [0,0,0,1,0,0|2,0,0]=3 9680 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000210776_100000745022 [0,0,0,1,0,0|2,0,0]=3 9681 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000745022_100000210776 [0,0,0,1,0,0|2,0,0]=3 9682 B10R1.177 OCCCNCCC1CC1 34a_100000764129_100000230001 [0,0,0,1,0,0|1,0,0]=2 9683 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [0,0,0,1,0,0|1,0,0]=2 9684 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [0,0,0,1,0,0|1,0,0]=2 9685 B10R1.177 OCCCOCC[C@@H]1CO1 34a_100009820653_100000230001 [0,0,0,1,0,0|2,0,0]=3 9686 B10R1.177 OCCCSCCC1CC1 62a_100000764125_100011215043 [0,0,0,1,0,0|1,0,0]=2 9687 B10R1.177 OCCCSCCC1CC1 62a_100011215043_100000764125 [0,0,0,1,0,0|1,0,0]=2 9688 B10R1.177 OCCCSCCC1CO1 62a_100000732470_100011215043 [0,0,0,1,0,0|2,0,0]=3 9689 B10R1.177 OCCCSCCC1CO1 62a_100011215043_100000732470 [0,0,0,1,0,0|2,0,0]=3 9690 B10R1.177 OCCNCC#CC1CC1 2230a_100016997473_100009895102 [0,0,0,1,0,0|1,0,2]=4 9691 B10R1.177 OCCNCC#CC1CC1 34a_100016990907_100009895102 [0,0,0,1,0,0|1,0,2]=4 9692 B10R1.177 OCCNCCCC1CO1 2230a_100016997473_100000733510 [0,0,0,1,0,0|2,0,0]=3 9693 B10R1.177 OCCNCCCC1CO1 34a_100016990907_100000733510 [0,0,0,1,0,0|2,0,0]=3 9694 B10R1.177 OCCOCC#CC1CC1 34a_100000083941_100000211926 [0,0,0,1,0,0|1,0,2]=4 9695 B10R1.177 OCCOCC#CC1CC1 7a_100000083941_100000211926 [0,0,0,1,0,0|1,0,2]=4 9696 B10R1.177 OCCOCCNC1CC1 34a_100000211614_100000211595 [0,0,0,1,0,0|2,0,0]=3 9697 B10R1.177 OCCOCCNC1CC1 34a_100000212008_100000692535 [0,0,0,1,0,0|2,0,0]=3 9698 B10R1.177 OCCOCCNC1CC1 34a_100000738766_100000211926 [0,0,0,1,0,0|2,0,0]=3 9699 B10R1.177 OCCOCCSC1CC1 62a_100011215305_100000211595 [0,0,0,1,0,0|2,0,0]=3 9700 B10R1.177 OCCSCC#CC1CC1 62a_100000211926_100009895102 [0,0,0,1,0,0|1,0,2]=4 9701 B10R1.177 OCCSCC#CC1CC1 62a_100009895102_100000211926 [0,0,0,1,0,0|1,0,2]=4 9702 B10R1.177 OCCSCCCC1CO1 62a_100000211926_100000733510 [0,0,0,1,0,0|2,0,0]=3 9703 B10R1.177 OCCSCCCC1CO1 62a_100000733510_100000211926 [0,0,0,1,0,0|2,0,0]=3 9704 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|1,0,0]=3 9705 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|1,0,0]=3 9706 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|1,0,0]=3 9707 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|1,0,0]=3 9708 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|1,0,0]=3 9709 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|1,0,0]=3 9710 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|1,0,0]=3 9711 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|1,0,0]=3 9712 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|1,0,0]=3 9713 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|1,0,0]=3 9714 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|1,0,0]=3 9715 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|1,0,0]=3 9716 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|1,0,0]=3 9717 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|1,0,0]=3 9718 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,0]=3 9719 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,0]=3 9720 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 9721 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|1,0,0]=3 9722 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 9723 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 9724 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 9725 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|1,0,0]=3 9726 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|1,0,0]=3 9727 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [2,0,0,0,0,0|2,0,0]=4 9728 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [2,0,0,0,0,0|2,0,0]=4 9729 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,0]=3 9730 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,0]=3 9731 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [2,0,0,0,0,0|2,0,0]=4 9732 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [2,0,0,0,0,0|2,0,0]=4 9733 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [2,0,0,0,0,0|2,0,0]=4 9734 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [2,0,0,0,0,0|1,0,0]=3 9735 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [2,0,0,0,0,0|1,0,0]=3 9736 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [2,0,0,0,0,0|1,0,0]=3 9737 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [2,0,0,0,0,0|1,0,0]=3 9738 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [2,0,0,0,0,0|2,0,0]=4 9739 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [2,0,0,0,0,0|2,0,0]=4 9740 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [2,0,0,0,0,0|2,0,0]=4 9741 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|1,0,0]=3 9742 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|1,0,0]=3 9743 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|1,0,0]=3 9744 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 9745 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 9746 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [2,0,0,0,0,0|2,0,0]=4 9747 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|1,0,0]=3 9748 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|1,0,0]=3 9749 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [2,0,0,0,0,0|2,0,0]=4 9750 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [2,0,0,0,0,0|2,0,0]=4 9751 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [2,0,0,0,0,0|2,0,0]=4 9752 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [2,0,0,0,0,0|2,0,0]=4 9753 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [2,0,0,0,0,0|2,0,0]=4 9754 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [2,0,0,0,0,0|2,0,0]=4 9755 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [2,0,0,0,0,0|2,0,0]=4 9756 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [2,0,0,0,0,0|2,0,0]=4 9757 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|1,0,0]=3 9758 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|1,0,0]=3 9759 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [2,0,0,0,0,0|2,0,0]=4 9760 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [2,0,0,0,0,0|2,0,0]=4 9761 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [2,0,0,0,0,0|1,0,0]=3 9762 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [2,0,0,0,0,0|1,0,0]=3 9763 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [2,0,0,0,0,0|2,0,0]=4 9764 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [2,0,0,0,0,0|2,0,0]=4 9765 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [2,0,0,0,0,0|2,0,0]=4 9766 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [2,0,0,0,0,0|2,0,0]=4 9767 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 9768 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 9769 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [2,0,0,0,0,0|2,0,0]=4 9770 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [2,0,0,0,0,0|2,0,0]=4 9771 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [2,0,0,0,0,0|2,0,0]=4 9772 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [2,0,0,0,0,0|2,0,0]=4 9773 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [2,0,0,0,0,0|2,0,0]=4 9774 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [2,0,0,0,0,0|2,0,0]=4 9775 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [2,0,0,0,0,0|2,0,0]=4 9776 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|1,0,0]=3 9777 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [2,0,0,0,0,0|2,0,0]=4 9778 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [2,0,0,0,0,0|2,0,0]=4 9779 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [2,0,0,0,0,0|2,0,0]=4 9780 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [2,0,0,0,0,0|2,0,0]=4 9781 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [2,0,0,0,0,0|2,0,0]=4 9782 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [2,0,0,0,0,0|2,0,0]=4 9783 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [2,0,0,0,0,0|2,0,0]=4 9784 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [2,0,0,0,0,0|2,0,0]=4 9785 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [2,0,0,0,0,0|2,0,0]=4 9786 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [2,0,0,0,0,0|2,0,0]=4 9787 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [2,0,0,0,0,0|2,0,0]=4 9788 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [2,0,0,0,0,0|2,0,0]=4 9789 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [2,0,0,0,0,0|2,0,0]=4 9790 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [2,0,0,0,0,0|2,0,0]=4 9791 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [2,0,0,0,0,0|2,0,0]=4 9792 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [2,0,0,0,0,0|2,0,0]=4 9793 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [2,0,0,0,0,0|2,0,0]=4 9794 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [2,0,0,0,0,0|2,0,0]=4 9795 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [2,0,0,0,0,0|2,0,0]=4 9796 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [2,0,0,0,0,0|2,0,0]=4 9797 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [2,0,0,0,0,0|2,0,0]=4 9798 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [2,0,0,0,0,0|2,0,0]=4 9799 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [2,0,0,0,0,0|2,0,0]=4 9800 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [2,0,0,0,0,0|1,0,0]=3 9801 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [2,0,0,0,0,0|1,0,0]=3 9802 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [2,0,0,0,0,0|2,0,0]=4 9803 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [2,0,0,0,0,0|2,0,0]=4 9804 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [2,0,0,0,0,0|2,0,0]=4 9805 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [2,0,0,0,0,0|2,0,0]=4 9806 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [2,0,0,0,0,0|2,0,0]=4 9807 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [2,0,0,0,0,0|2,0,0]=4 9808 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [2,0,0,0,0,0|2,0,0]=4 9809 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [2,0,0,0,0,0|2,0,0]=4 9810 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [2,0,0,0,0,0|2,0,0]=4 9811 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [2,0,0,0,0,0|2,0,0]=4 9812 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|2,0,0]=4 9813 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|2,0,0]=4 9814 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [2,0,0,0,0,0|2,0,0]=4 9815 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 9816 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [2,0,0,0,0,0|1,0,0]=3 9817 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 9818 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [2,0,0,0,0,0|2,0,0]=4 9819 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [2,0,0,0,0,0|2,0,0]=4 9820 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [2,0,0,0,0,0|2,0,0]=4 9821 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [2,0,0,0,0,0|2,0,0]=4 9822 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [2,0,0,0,0,0|2,0,0]=4 9823 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [2,0,0,0,0,0|2,0,0]=4 9824 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [2,0,0,0,0,0|2,0,0]=4 9825 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [2,0,0,0,0,0|2,0,0]=4 9826 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|2,0,0]=4 9827 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 9828 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 9829 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 9830 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|2,0,0]=4 9831 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 9832 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|2,0,0]=4 9833 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 9834 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,0]=3 9835 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 9836 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 9837 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 9838 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|2,0,0]=4 9839 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|2,0,0]=4 9840 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 9841 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 9842 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 9843 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|2,0,0]=4 9844 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 9845 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|2,0,0]=4 9846 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|2,0,0]=4 9847 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 9848 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 9849 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 9850 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 9851 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [2,0,0,0,0,0|2,0,0]=4 9852 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [2,0,0,0,0,0|2,0,0]=4 9853 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 9854 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [2,0,0,0,0,0|2,0,0]=4 9855 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [2,0,0,0,0,0|2,0,0]=4 9856 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [2,0,0,0,0,0|2,0,0]=4 9857 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [2,0,0,0,0,0|2,0,0]=4 9858 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [2,0,0,0,0,0|2,0,0]=4 9859 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [2,0,0,0,0,0|2,0,0]=4 9860 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [2,0,0,0,0,0|2,0,0]=4 9861 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [2,0,0,0,0,0|2,0,0]=4 9862 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [2,0,0,0,0,0|2,0,0]=4 9863 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [2,0,0,0,0,0|2,0,0]=4 9864 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [2,0,0,0,0,0|2,0,0]=4 9865 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [2,0,0,0,0,0|2,0,0]=4 9866 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [2,0,0,0,0,0|2,0,0]=4 9867 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [2,0,0,0,0,0|2,0,0]=4 9868 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [2,0,0,0,0,0|1,0,0]=3 9869 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [2,0,0,0,0,0|1,0,0]=3 9870 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [2,0,0,0,0,0|2,0,0]=4 9871 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [2,0,0,0,0,0|2,0,0]=4 9872 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [2,0,0,0,0,0|2,0,0]=4 9873 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [2,0,0,0,0,0|2,0,0]=4 9874 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [2,0,0,0,0,0|2,0,0]=4 9875 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [2,0,0,0,0,0|2,0,0]=4 9876 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [2,0,0,0,0,0|2,0,0]=4 9877 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [2,0,0,0,0,0|2,0,0]=4 9878 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 9879 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [2,0,0,0,0,0|2,0,0]=4 9880 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 9881 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [2,0,0,0,0,0|1,0,0]=3 9882 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [2,0,0,0,0,0|1,0,0]=3 9883 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [2,0,0,0,0,0|1,0,0]=3 9884 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [2,0,0,0,0,0|1,0,0]=3 9885 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [2,0,0,0,0,0|1,0,0]=3 9886 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [2,0,0,0,0,0|2,0,0]=4 9887 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [2,0,0,0,0,0|2,0,0]=4 9888 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [2,0,0,0,0,0|2,0,0]=4 9889 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 9890 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [2,0,0,0,0,0|2,0,0]=4 9891 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 9892 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [2,0,0,0,0,0|2,0,0]=4 9893 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [2,0,0,0,0,0|2,0,0]=4 9894 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [2,0,0,0,0,0|2,0,0]=4 9895 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 9896 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 9897 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 9898 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 9899 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [2,0,0,0,0,0|2,0,0]=4 9900 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 9901 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 9902 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 9903 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|1,0,0]=3 9904 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [2,0,0,0,0,0|2,0,0]=4 9905 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [2,0,0,0,0,0|2,0,0]=4 9906 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [2,0,0,0,0,0|2,0,0]=4 9907 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [2,0,0,0,0,0|2,0,0]=4 9908 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [2,0,0,0,0,0|2,0,0]=4 9909 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [2,0,0,0,0,0|2,0,0]=4 9910 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [2,0,0,0,0,0|2,0,0]=4 9911 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [2,0,0,0,0,0|2,0,0]=4 9912 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [2,0,0,0,0,0|2,0,0]=4 9913 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [2,0,0,0,0,0|2,0,0]=4 9914 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [2,0,0,0,0,0|2,0,0]=4 9915 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [2,0,0,0,0,0|2,0,0]=4 9916 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [2,0,0,0,0,0|2,0,0]=4 9917 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [2,0,0,0,0,0|2,0,0]=4 9918 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [2,0,0,0,0,0|2,0,0]=4 9919 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [2,0,0,0,0,0|2,0,0]=4 9920 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [2,0,0,0,0,0|2,0,0]=4 9921 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [2,0,0,0,0,0|2,0,0]=4 9922 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [2,0,0,0,0,0|2,0,0]=4 9923 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [2,0,0,0,0,0|2,0,0]=4 9924 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [2,0,0,0,0,0|1,0,0]=3 9925 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [2,0,0,0,0,0|1,0,0]=3 9926 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [2,0,0,0,0,0|2,0,0]=4 9927 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [2,0,0,0,0,0|2,0,0]=4 9928 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [2,0,0,0,0,0|2,0,0]=4 9929 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [2,0,0,0,0,0|2,0,0]=4 9930 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [2,0,0,0,0,0|2,0,0]=4 9931 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [2,0,0,0,0,0|2,0,0]=4 9932 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [2,0,0,0,0,0|2,0,0]=4 9933 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [2,0,0,0,0,0|2,0,0]=4 9934 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [2,0,0,0,0,0|2,0,0]=4 9935 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [2,0,0,0,0,0|2,0,0]=4 9936 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [2,0,0,0,0,0|2,0,0]=4 9937 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [2,0,0,0,0,0|2,0,0]=4 9938 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [2,0,0,0,0,0|2,0,0]=4 9939 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [2,0,0,0,0,0|2,0,0]=4 9940 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [2,0,0,0,0,0|2,0,0]=4 9941 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [2,0,0,0,0,0|2,0,0]=4 9942 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [2,0,0,0,0,0|2,0,0]=4 9943 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [2,0,0,0,0,0|2,0,0]=4 9944 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [2,0,0,0,0,0|2,0,0]=4 9945 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [2,0,0,0,0,0|2,0,0]=4 9946 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [2,0,0,0,0,0|2,0,0]=4 9947 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [2,0,0,0,0,0|2,0,0]=4 9948 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [2,0,0,0,0,0|2,0,0]=4 9949 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [2,0,0,0,0,0|2,0,0]=4 9950 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [2,0,0,0,0,0|2,0,0]=4 9951 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [2,0,0,0,0,0|2,0,0]=4 9952 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [2,0,0,0,0,0|2,0,0]=4 9953 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [2,0,0,0,0,0|2,0,0]=4 9954 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [2,0,0,0,0,0|2,0,0]=4 9955 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [2,0,0,0,0,0|2,0,0]=4 9956 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [2,0,0,0,0,0|2,0,0]=4 9957 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [2,0,0,0,0,0|2,0,0]=4 9958 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [2,0,0,0,0,0|2,0,0]=4 9959 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [2,0,0,0,0,0|2,0,0]=4 9960 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [2,0,0,0,0,0|2,0,0]=4 9961 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [2,0,0,0,0,0|1,0,0]=3 9962 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [2,0,0,0,0,0|1,0,0]=3 9963 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 9964 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 9965 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [2,0,0,0,0,0|2,0,0]=4 9966 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 9967 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 9968 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 9969 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 9970 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 9971 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 9972 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 9973 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [2,0,0,0,0,0|2,0,0]=4 9974 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [2,0,0,0,0,0|2,0,0]=4 9975 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [2,0,0,0,0,0|1,0,0]=3 9976 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [2,0,0,0,0,0|1,0,0]=3 9977 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [2,0,0,0,0,0|2,0,0]=4 9978 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [2,0,0,0,0,0|2,0,0]=4 9979 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,1,0,0,0,0|1,0,1]=4 9980 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,1,0,0,0,0|1,0,1]=4 9981 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,1,0,0,0,0|1,0,1]=4 9982 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,1,0,0,0,0|1,0,1]=4 9983 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,1,0,0,0,0|1,0,1]=4 9984 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [1,1,0,0,0,0|1,0,1]=4 9985 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,1,0,0,0,0|1,0,1]=4 9986 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,1,0,0,0,0|1,0,1]=4 9987 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [1,1,0,0,0,0|1,0,1]=4 9988 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [1,1,0,0,0,0|1,0,1]=4 9989 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,1,0,0,0,0|1,0,1]=4 9990 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [1,1,0,0,0,0|1,0,1]=4 9991 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [1,1,0,0,0,0|1,0,1]=4 9992 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,1,0,0,0,0|1,0,1]=4 9993 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,1,0,0,0,0|1,0,1]=4 9994 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,1,0,0,0,0|1,0,1]=4 9995 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [1,1,0,0,0,0|1,0,1]=4 9996 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,1,0,0,0,0|1,0,1]=4 9997 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,1,0,0,0,0|1,0,1]=4 9998 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [1,1,0,0,0,0|1,0,1]=4 9999 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [1,1,0,0,0,0|1,0,1]=4 10000 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,1,0,0,0,0|1,0,1]=4 10001 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,1,0,0,0,0|0,0,1]=3 10002 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,1,0,0,0,0|0,0,1]=3 10003 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,1,0,0,0,0|1,0,1]=4 10004 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,1,0,0,0,0|1,0,1]=4 10005 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,1,0,0,0,0|1,0,1]=4 10006 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,1,0,0,0,0|1,0,1]=4 10007 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,1,0,0,0,0|1,0,1]=4 10008 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,1,0,0,0,0|1,0,1]=4 10009 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,1,0,0,0,0|1,0,1]=4 10010 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,1,0,0,0,0|1,0,1]=4 10011 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,1,0,0,0,0|1,0,1]=4 10012 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,1,0,0,0,0|1,0,1]=4 10013 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,1,0,0,0,0|1,0,1]=4 10014 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [1,1,0,0,0,0|2,0,0]=4 10015 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [1,1,0,0,0,0|1,0,0]=3 10016 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [1,1,0,0,0,0|2,0,0]=4 10017 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [1,1,0,0,0,0|1,0,0]=3 10018 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,1,0,0,0,0|1,0,0]=3 10019 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,1,0,0,0,0|1,0,0]=3 10020 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,1,0,0,0,0|1,0,0]=3 10021 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,1,0,0,0,0|1,0,0]=3 10022 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,1,0,0,0,0|1,0,0]=3 10023 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,1,0,0,0,0|1,0,0]=3 10024 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [1,1,0,0,0,0|2,0,0]=4 10025 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [1,1,0,0,0,0|2,0,0]=4 10026 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [1,1,0,0,0,0|2,0,0]=4 10027 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [1,1,0,0,0,0|2,0,0]=4 10028 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [1,1,0,0,0,0|2,0,0]=4 10029 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [1,1,0,0,0,0|2,0,0]=4 10030 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [1,1,0,0,0,0|2,0,0]=4 10031 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [1,1,0,0,0,0|1,0,0]=3 10032 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [1,1,0,0,0,0|1,0,0]=3 10033 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [1,1,0,0,0,0|1,0,0]=3 10034 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [1,1,0,0,0,0|1,0,0]=3 10035 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [1,1,0,0,0,0|2,0,0]=4 10036 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [1,1,0,0,0,0|2,0,0]=4 10037 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [1,1,0,0,0,0|2,0,0]=4 10038 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [1,1,0,0,0,0|2,0,0]=4 10039 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [1,1,0,0,0,0|1,0,0]=3 10040 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [1,1,0,0,0,0|1,0,0]=3 10041 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [1,1,0,0,0,0|2,0,0]=4 10042 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [1,1,0,0,0,0|2,0,0]=4 10043 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [1,1,0,0,0,0|1,0,0]=3 10044 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [1,1,0,0,0,0|1,0,0]=3 10045 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [1,1,0,0,0,0|2,0,0]=4 10046 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [1,1,0,0,0,0|2,0,0]=4 10047 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [1,1,0,0,0,0|2,0,0]=4 10048 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [1,1,0,0,0,0|1,0,0]=3 10049 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [1,1,0,0,0,0|2,0,0]=4 10050 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [1,1,0,0,0,0|2,0,0]=4 10051 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [1,1,0,0,0,0|2,0,0]=4 10052 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [1,1,0,0,0,0|2,0,0]=4 10053 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [1,1,0,0,0,0|2,0,0]=4 10054 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [1,1,0,0,0,0|2,0,0]=4 10055 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [1,1,0,0,0,0|1,0,0]=3 10056 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [1,1,0,0,0,0|1,0,0]=3 10057 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [1,1,0,0,0,0|2,0,0]=4 10058 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [1,1,0,0,0,0|2,0,0]=4 10059 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [1,1,0,0,0,0|1,0,0]=3 10060 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [1,1,0,0,0,0|1,0,0]=3 10061 B9R0.2 CC(C)CNCCCCF 2230a_100000210953_100000729493 [1,1,0,0,0,0|2,0,0]=4 10062 B9R0.2 CC(C)CNCCCCF 34a_100000210953_100000729493 [1,1,0,0,0,0|2,0,0]=4 10063 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [1,1,0,0,0,0|1,0,0]=3 10064 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [1,1,0,0,0,0|1,0,0]=3 10065 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [1,1,0,0,0,0|1,0,0]=3 10066 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [1,1,0,0,0,0|1,0,0]=3 10067 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [1,1,0,0,0,0|1,0,0]=3 10068 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [1,1,0,0,0,0|2,0,0]=4 10069 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [1,1,0,0,0,0|2,0,0]=4 10070 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [1,1,0,0,0,0|2,0,0]=4 10071 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [1,1,0,0,0,0|2,0,0]=4 10072 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [1,1,0,0,0,0|2,0,0]=4 10073 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [1,1,0,0,0,0|2,0,0]=4 10074 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [1,1,0,0,0,0|2,0,0]=4 10075 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [1,1,0,0,0,0|2,0,0]=4 10076 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [1,1,0,0,0,0|1,0,0]=3 10077 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [1,1,0,0,0,0|2,0,0]=4 10078 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [1,1,0,0,0,0|2,0,0]=4 10079 B9R0.2 CC(C)CSCCCCF 62a_100000210624_100000729493 [1,1,0,0,0,0|2,0,0]=4 10080 B9R0.2 CC(C)CSCCCCF 62a_100000729493_100000210760 [1,1,0,0,0,0|2,0,0]=4 10081 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [1,1,0,0,0,0|1,0,0]=3 10082 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [1,1,0,0,0,0|1,0,0]=3 10083 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [1,1,0,0,0,0|2,0,0]=4 10084 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [1,1,0,0,0,0|2,0,0]=4 10085 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [1,1,0,0,0,0|1,0,0]=3 10086 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [1,1,0,0,0,0|1,0,0]=3 10087 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [1,1,0,0,0,0|1,0,0]=3 10088 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [1,1,0,0,0,0|1,0,0]=3 10089 B9R0.2 CC(C)NCCCCO[13CH3] 34a_100011521146_200025704644 [1,1,0,0,0,0|2,0,0]=4 10090 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [1,1,0,0,0,0|2,0,0]=4 10091 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [1,1,0,0,0,0|2,0,0]=4 10092 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [1,1,0,0,0,0|2,0,0]=4 10093 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [1,1,0,0,0,0|2,0,0]=4 10094 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [1,1,0,0,0,0|2,0,0]=4 10095 B9R0.2 CC(C)NCCSCCO 2230a_100011219999_100000210206 [1,1,0,0,0,0|2,0,0]=4 10096 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [1,1,0,0,0,0|2,0,0]=4 10097 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [1,1,0,0,0,0|2,0,0]=4 10098 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 10099 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 10100 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [1,1,0,0,0,0|2,0,0]=4 10101 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [1,1,0,0,0,0|2,0,0]=4 10102 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [1,1,0,0,0,0|2,0,0]=4 10103 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [1,1,0,0,0,0|2,0,0]=4 10104 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,1,0,0,0,0|1,0,0]=3 10105 B9R0.2 CC(C)OCCNCCO 2230a_100000701111_100000211926 [1,1,0,0,0,0|2,0,0]=4 10106 B9R0.2 CC(C)OCCNCCO 2230a_100016997473_100000211751 [1,1,0,0,0,0|2,0,0]=4 10107 B9R0.2 CC(C)OCCNCCO 34a_100000701111_100000211926 [1,1,0,0,0,0|2,0,0]=4 10108 B9R0.2 CC(C)OCCNCCO 34a_100016990907_100000211751 [1,1,0,0,0,0|2,0,0]=4 10109 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [1,1,0,0,0,0|2,0,0]=4 10110 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [1,1,0,0,0,0|2,0,0]=4 10111 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [1,1,0,0,0,0|2,0,0]=4 10112 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [1,1,0,0,0,0|2,0,0]=4 10113 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [1,1,0,0,0,0|2,0,0]=4 10114 B9R0.2 CC(C)OCSCCCO 62a_100000709892_100011215043 [1,1,0,0,0,0|2,0,0]=4 10115 B9R0.2 CC(C)OCSCCCO 62a_100011215043_100000709892 [1,1,0,0,0,0|2,0,0]=4 10116 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [1,1,0,0,0,0|2,0,0]=4 10117 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [1,1,0,0,0,0|2,0,0]=4 10118 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [1,1,0,0,0,0|1,0,0]=3 10119 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [1,1,0,0,0,0|1,0,0]=3 10120 B9R0.2 CC(C)SCCNCCO 2230a_100000731138_100000211926 [1,1,0,0,0,0|2,0,0]=4 10121 B9R0.2 CC(C)SCCNCCO 2230a_100016997473_100000730970 [1,1,0,0,0,0|2,0,0]=4 10122 B9R0.2 CC(C)SCCNCCO 34a_100000731138_100000211926 [1,1,0,0,0,0|2,0,0]=4 10123 B9R0.2 CC(C)SCCNCCO 34a_100016990907_100000730970 [1,1,0,0,0,0|2,0,0]=4 10124 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [1,1,0,0,0,0|2,0,0]=4 10125 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [1,1,0,0,0,0|2,0,0]=4 10126 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [1,1,0,0,0,0|2,0,0]=4 10127 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [1,1,0,0,0,0|2,0,0]=4 10128 B9R0.2 CC(C)SCCSCCO 62a_100000211926_100000730970 [1,1,0,0,0,0|2,0,0]=4 10129 B9R0.2 CC(C)SCCSCCO 62a_100000730970_100000211926 [1,1,0,0,0,0|2,0,0]=4 10130 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [1,1,0,0,0,0|2,0,0]=4 10131 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [1,1,0,0,0,0|1,0,0]=3 10132 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [1,1,0,0,0,0|2,0,0]=4 10133 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [1,1,0,0,0,0|1,0,0]=3 10134 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [1,1,0,0,0,0|1,0,0]=3 10135 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [1,1,0,0,0,0|2,0,0]=4 10136 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [1,1,0,0,0,0|2,0,0]=4 10137 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [1,1,0,0,0,0|2,0,0]=4 10138 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [1,1,0,0,0,0|2,0,0]=4 10139 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [1,1,0,0,0,0|1,0,0]=3 10140 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [1,1,0,0,0,0|1,0,0]=3 10141 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [1,1,0,0,0,0|2,0,0]=4 10142 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [1,1,0,0,0,0|2,0,0]=4 10143 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [1,1,0,0,0,0|2,0,0]=4 10144 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [1,1,0,0,0,0|1,0,0]=3 10145 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [1,1,0,0,0,0|2,0,0]=4 10146 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [1,1,0,0,0,0|2,0,0]=4 10147 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [1,1,0,0,0,0|2,0,0]=4 10148 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [1,1,0,0,0,0|2,0,0]=4 10149 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [1,1,0,0,0,0|2,0,0]=4 10150 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [1,1,0,0,0,0|2,0,0]=4 10151 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [1,1,0,0,0,0|1,0,0]=3 10152 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [1,1,0,0,0,0|1,0,0]=3 10153 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [1,1,0,0,0,0|2,0,0]=4 10154 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [1,1,0,0,0,0|2,0,0]=4 10155 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [1,1,0,0,0,0|1,0,0]=3 10156 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [1,1,0,0,0,0|1,0,0]=3 10157 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [1,1,0,0,0,0|1,0,0]=3 10158 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [1,1,0,0,0,0|1,0,0]=3 10159 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [1,1,0,0,0,0|2,0,0]=4 10160 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [1,1,0,0,0,0|2,0,0]=4 10161 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [1,1,0,0,0,0|2,0,0]=4 10162 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [1,1,0,0,0,0|2,0,0]=4 10163 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [1,1,0,0,0,0|2,0,0]=4 10164 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [1,1,0,0,0,0|2,0,0]=4 10165 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [1,1,0,0,0,0|2,0,0]=4 10166 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [1,1,0,0,0,0|2,0,0]=4 10167 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [1,1,0,0,0,0|2,0,0]=4 10168 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [1,1,0,0,0,0|1,0,0]=3 10169 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [1,1,0,0,0,0|1,0,0]=3 10170 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,1,0,0,0,0|0,0,1]=3 10171 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,1,0,0,0,0|0,0,1]=3 10172 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,1,0,0,0,0|0,0,1]=3 10173 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,1,0,0,0,0|1,0,0]=3 10174 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,1,0,0,0,0|1,0,0]=3 10175 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,1,0,0,0,0|1,0,0]=3 10176 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,1,0,0,0,0|1,0,0]=3 10177 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,1,0,0,0,0|1,0,0]=3 10178 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,1,0,0,0,0|1,0,0]=3 10179 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 10180 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 10181 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 10182 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,1,0,0,0,0|1,0,1]=4 10183 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,1,0,0,0,0|1,0,0]=3 10184 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,1,0,0,0,0|1,0,0]=3 10185 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,1,0,0,0,0|1,0,0]=3 10186 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,1,0,0,0,0|1,0,0]=3 10187 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,1,0,0,0,0|1,0,0]=3 10188 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,1,0,0,0,0|1,0,0]=3 10189 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,1,0,0,0,0|1,0,0]=3 10190 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,1,0,0,0,0|1,0,0]=3 10191 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,1,0,0,0,0|1,0,1]=4 10192 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,1,0,0,0,0|1,0,0]=3 10193 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,1,0,0,0,0|1,0,0]=3 10194 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,1,0,0,0,0|1,0,0]=3 10195 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,1,0,0,0,0|1,0,0]=3 10196 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,1,0,0,0,0|1,0,0]=3 10197 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,1,0,0,0,0|1,0,0]=3 10198 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,1,0,0,0,0|1,0,0]=3 10199 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [1,1,0,0,0,0|2,0,0]=4 10200 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [1,1,0,0,0,0|2,0,0]=4 10201 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,1,0,0,0,0|1,0,0]=3 10202 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,1,0,0,0,0|1,0,1]=4 10203 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,1,0,0,0,0|1,0,0]=3 10204 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,1,0,0,0,0|1,0,0]=3 10205 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,1,0,0,0,0|1,0,0]=3 10206 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,1,0,0,0,0|1,0,0]=3 10207 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,1,0,0,0,0|1,0,0]=3 10208 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,1,0,0,0,0|1,0,0]=3 10209 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,1,0,0,0,0|1,0,0]=3 10210 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [1,1,0,0,0,0|2,0,0]=4 10211 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [1,1,0,0,0,0|2,0,0]=4 10212 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [1,1,0,0,0,0|2,0,0]=4 10213 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,1,0,0,0,0|1,0,0]=3 10214 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,1,0,0,0,0|1,0,0]=3 10215 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,1,0,0,0,0|1,0,0]=3 10216 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,1,0,0,0,0|1,0,0]=3 10217 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,1,0,0,0,0|1,0,0]=3 10218 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,1,0,0,0,0|1,0,0]=3 10219 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,1,0,0,0,0|1,0,0]=3 10220 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,1,0,0,0,0|1,0,0]=3 10221 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [1,1,0,0,0,0|2,0,0]=4 10222 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [1,1,0,0,0,0|2,0,0]=4 10223 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,1,0,0,0,0|1,0,0]=3 10224 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,1,0,0,0,0|1,0,0]=3 10225 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,1,0,0,0,0|1,0,1]=4 10226 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,1,0,0,0,0|1,0,0]=3 10227 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,1,0,0,0,0|1,0,0]=3 10228 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,1,0,0,0,0|1,0,0]=3 10229 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,1,0,0,0,0|1,0,0]=3 10230 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,1,0,0,0,0|1,0,0]=3 10231 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,1,0,0,0,0|1,0,0]=3 10232 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [1,1,0,0,0,0|2,0,0]=4 10233 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [1,1,0,0,0,0|2,0,0]=4 10234 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,1,0,0,0,0|1,0,1]=4 10235 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,1,0,0,0,0|1,0,1]=4 10236 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,1,0,0,0,0|1,0,1]=4 10237 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,1,0,0,0,0|1,0,1]=4 10238 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,1,0,0,0,0|1,0,0]=3 10239 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,1,0,0,0,0|1,0,0]=3 10240 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,1,0,0,0,0|1,0,0]=3 10241 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,1,0,0,0,0|1,0,0]=3 10242 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,1,0,0,0,0|1,0,0]=3 10243 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,1,0,0,0,0|1,0,0]=3 10244 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,1,0,0,0,0|1,0,0]=3 10245 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [1,1,0,0,0,0|2,0,0]=4 10246 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [1,1,0,0,0,0|2,0,0]=4 10247 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [1,1,0,0,0,0|2,0,0]=4 10248 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [1,1,0,0,0,0|2,0,0]=4 10249 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,1,0,0,0,0|1,0,0]=3 10250 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [1,1,0,0,0,0|2,0,0]=4 10251 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [1,1,0,0,0,0|2,0,0]=4 10252 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [1,1,0,0,0,0|2,0,0]=4 10253 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [1,1,0,0,0,0|2,0,0]=4 10254 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [1,1,0,0,0,0|2,0,0]=4 10255 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [1,1,0,0,0,0|2,0,0]=4 10256 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,1,0,0,0,0|1,0,1]=4 10257 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,1,0,0,0,0|1,0,1]=4 10258 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,1,0,0,0,0|1,0,0]=3 10259 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,1,0,0,0,0|1,0,0]=3 10260 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,1,0,0,0,0|1,0,0]=3 10261 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,1,0,0,0,0|1,0,0]=3 10262 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [1,1,0,0,0,0|2,0,0]=4 10263 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [1,1,0,0,0,0|2,0,0]=4 10264 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [1,1,0,0,0,0|2,0,0]=4 10265 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,1,0,0,0,0|1,0,0]=3 10266 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,1,0,0,0,0|1,0,0]=3 10267 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,1,0,0,0,0|2,0,0]=4 10268 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [1,1,0,0,0,0|2,0,0]=4 10269 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [1,1,0,0,0,0|2,0,0]=4 10270 B9R0.2 CCCNCCSC(C)C 2230a_100000731138_100000210303 [1,1,0,0,0,0|2,0,0]=4 10271 B9R0.2 CCCNCCSC(C)C 34a_100000731138_100000210303 [1,1,0,0,0,0|2,0,0]=4 10272 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,1,0,0,0,0|1,0,1]=4 10273 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,1,0,0,0,0|1,0,1]=4 10274 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,1,0,0,0,0|1,0,1]=4 10275 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,1,0,0,0,0|1,0,0]=3 10276 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,1,0,0,0,0|1,0,0]=3 10277 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,1,0,0,0,0|1,0,0]=3 10278 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,1,0,0,0,0|1,0,0]=3 10279 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [1,1,0,0,0,0|2,0,0]=4 10280 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [1,1,0,0,0,0|2,0,0]=4 10281 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [1,1,0,0,0,0|2,0,0]=4 10282 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [1,1,0,0,0,0|2,0,0]=4 10283 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [1,1,0,0,0,0|2,0,0]=4 10284 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [1,1,0,0,0,0|2,0,0]=4 10285 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [1,1,0,0,0,0|2,0,0]=4 10286 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [1,1,0,0,0,0|2,0,0]=4 10287 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [1,1,0,0,0,0|2,0,0]=4 10288 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [1,1,0,0,0,0|2,0,0]=4 10289 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [1,1,0,0,0,0|2,0,0]=4 10290 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [1,1,0,0,0,0|2,0,0]=4 10291 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [1,1,0,0,0,0|2,0,0]=4 10292 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [1,1,0,0,0,0|2,0,0]=4 10293 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [1,1,0,0,0,0|2,0,0]=4 10294 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [1,1,0,0,0,0|2,0,0]=4 10295 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,1,0,0,0,0|1,0,1]=4 10296 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,1,0,0,0,0|1,0,1]=4 10297 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,1,0,0,0,0|1,0,0]=3 10298 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,1,0,0,0,0|1,0,0]=3 10299 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,1,0,0,0,0|1,0,0]=3 10300 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,1,0,0,0,0|1,0,0]=3 10301 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [1,1,0,0,0,0|2,0,0]=4 10302 B9R0.2 CCCSCCNC(C)C 2230a_100020603323_100000210206 [1,1,0,0,0,0|2,0,0]=4 10303 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [1,1,0,0,0,0|2,0,0]=4 10304 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [1,1,0,0,0,0|2,0,0]=4 10305 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [1,1,0,0,0,0|2,0,0]=4 10306 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [1,1,0,0,0,0|2,0,0]=4 10307 B9R0.2 CCCSCCSC(C)C 62a_100000210303_100000730970 [1,1,0,0,0,0|2,0,0]=4 10308 B9R0.2 CCCSCCSC(C)C 62a_100000730970_100000210303 [1,1,0,0,0,0|2,0,0]=4 10309 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [1,1,0,0,0,0|2,0,0]=4 10310 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,1,0,0,0,0|1,0,0]=3 10311 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [1,1,0,0,0,0|2,0,0]=4 10312 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [1,1,0,0,0,0|2,0,0]=4 10313 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [1,1,0,0,0,0|2,0,0]=4 10314 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,1,0,0,0,0|1,0,1]=4 10315 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,1,0,0,0,0|1,0,0]=3 10316 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,1,0,0,0,0|1,0,0]=3 10317 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,1,0,0,0,0|1,0,0]=3 10318 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [1,1,0,0,0,0|2,0,0]=4 10319 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [1,1,0,0,0,0|2,0,0]=4 10320 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [1,1,0,0,0,0|2,0,0]=4 10321 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [1,1,0,0,0,0|2,0,0]=4 10322 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [1,1,0,0,0,0|2,0,0]=4 10323 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [1,1,0,0,0,0|2,0,0]=4 10324 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [1,1,0,0,0,0|2,0,0]=4 10325 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [1,1,0,0,0,0|2,0,0]=4 10326 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [1,1,0,0,0,0|2,0,0]=4 10327 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [1,1,0,0,0,0|2,0,0]=4 10328 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [1,1,0,0,0,0|2,0,0]=4 10329 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [1,1,0,0,0,0|2,0,0]=4 10330 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [1,1,0,0,0,0|2,0,0]=4 10331 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [1,1,0,0,0,0|2,0,0]=4 10332 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [1,1,0,0,0,0|2,0,0]=4 10333 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [1,1,0,0,0,0|2,0,0]=4 10334 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [1,1,0,0,0,0|2,0,0]=4 10335 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [1,1,0,0,0,0|2,0,0]=4 10336 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [1,1,0,0,0,0|2,0,0]=4 10337 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [1,1,0,0,0,0|2,0,0]=4 10338 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [1,1,0,0,0,0|2,0,0]=4 10339 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [1,1,0,0,0,0|2,0,0]=4 10340 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [1,1,0,0,0,0|2,0,0]=4 10341 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [1,1,0,0,0,0|2,0,0]=4 10342 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [1,1,0,0,0,0|2,0,0]=4 10343 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [1,1,0,0,0,0|2,0,0]=4 10344 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [1,1,0,0,0,0|2,0,0]=4 10345 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [1,1,0,0,0,0|2,0,0]=4 10346 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [1,1,0,0,0,0|2,0,0]=4 10347 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [1,1,0,0,0,0|2,0,0]=4 10348 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [1,1,0,0,0,0|2,0,0]=4 10349 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [1,1,0,0,0,0|2,0,0]=4 10350 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [1,1,0,0,0,0|2,0,0]=4 10351 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [1,1,0,0,0,0|2,0,0]=4 10352 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [1,1,0,0,0,0|2,0,0]=4 10353 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [1,1,0,0,0,0|2,0,0]=4 10354 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [1,1,0,0,0,0|2,0,0]=4 10355 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [1,1,0,0,0,0|2,0,0]=4 10356 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [1,1,0,0,0,0|2,0,0]=4 10357 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [1,1,0,0,0,0|2,0,0]=4 10358 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [1,1,0,0,0,0|2,0,0]=4 10359 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [1,1,0,0,0,0|2,0,0]=4 10360 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [1,1,0,0,0,0|2,0,0]=4 10361 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [1,1,0,0,0,0|2,0,0]=4 10362 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [1,1,0,0,0,0|2,0,0]=4 10363 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [1,1,0,0,0,0|2,0,0]=4 10364 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [1,1,0,0,0,0|2,0,0]=4 10365 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [1,1,0,0,0,0|2,0,0]=4 10366 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [1,1,0,0,0,0|2,0,0]=4 10367 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,1,0,0,0,0|1,0,1]=4 10368 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,1,0,0,0,0|1,0,1]=4 10369 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,1,0,0,0,0|1,0,0]=3 10370 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,1,0,0,0,0|1,0,0]=3 10371 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [1,1,0,0,0,0|2,0,0]=4 10372 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [1,1,0,0,0,0|2,0,0]=4 10373 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [1,1,0,0,0,0|2,0,0]=4 10374 B9R0.2 CCSCCNCC(C)C 2230a_100000106463_100000210760 [1,1,0,0,0,0|2,0,0]=4 10375 B9R0.2 CCSCCNCC(C)C 2230a_100000210953_100000757381 [1,1,0,0,0,0|2,0,0]=4 10376 B9R0.2 CCSCCNCC(C)C 270004a_100000106463_100000210432 [1,1,0,0,0,0|2,0,0]=4 10377 B9R0.2 CCSCCNCC(C)C 34a_100000210953_100000757381 [1,1,0,0,0,0|2,0,0]=4 10378 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [1,1,0,0,0,0|2,0,0]=4 10379 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [1,1,0,0,0,0|2,0,0]=4 10380 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [1,1,0,0,0,0|2,0,0]=4 10381 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [1,1,0,0,0,0|2,0,0]=4 10382 B9R0.2 CCSCCOCC(C)Br 34a_100012180447_100000757381 [1,1,0,0,0,0|2,0,0]=4 10383 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [1,1,0,0,0,0|2,0,0]=4 10384 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [1,1,0,0,0,0|2,0,0]=4 10385 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [1,1,0,0,0,0|2,0,0]=4 10386 B9R0.2 CCSCCOCC(C)F 34a_100015925927_100000757381 [1,1,0,0,0,0|2,0,0]=4 10387 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [1,1,0,0,0,0|2,0,0]=4 10388 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [1,1,0,0,0,0|2,0,0]=4 10389 B9R0.2 CCSCCOC[C@@H](C)Cl 34a_100016084084_100000757381 [1,1,0,0,0,0|2,0,0]=4 10390 B9R0.2 CCSCCOC[C@@H](C)N 34a_100000737577_100000757381 [1,1,0,0,0,0|2,0,0]=4 10391 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [1,1,0,0,0,0|2,0,0]=4 10392 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [1,1,0,0,0,0|2,0,0]=4 10393 B9R0.2 CCSCCSCC(C)C 62a_100000210624_100000757381 [1,1,0,0,0,0|2,0,0]=4 10394 B9R0.2 CCSCCSCC(C)C 62a_100000757381_100000210760 [1,1,0,0,0,0|2,0,0]=4 10395 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [1,1,0,0,0,0|2,0,0]=4 10396 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [1,1,0,0,0,0|2,0,0]=4 10397 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [1,1,0,0,0,0|2,0,0]=4 10398 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [1,1,0,0,0,0|2,0,0]=4 10399 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [1,1,0,0,0,0|2,0,0]=4 10400 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [1,1,0,0,0,0|2,0,0]=4 10401 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,1,0,0,0,0|1,0,0]=3 10402 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,1,0,0,0,0|1,0,0]=3 10403 B9R0.2 CN(C)CCCSCCO 62a_100000211926_100000757444 [1,1,0,0,0,0|2,0,0]=4 10404 B9R0.2 CN(C)CCSCCCO 62a_100011215043_100000755713 [1,1,0,0,0,0|2,0,0]=4 10405 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [1,1,0,0,0,0|2,0,0]=4 10406 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [1,1,0,0,0,0|2,0,0]=4 10407 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [1,1,0,0,0,0|2,0,0]=4 10408 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,1,0,0,0,0|1,0,0]=3 10409 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,1,0,0,0,0|1,0,0]=3 10410 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,1,0,0,0,0|1,0,0]=3 10411 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,1,0,0,0,0|1,0,0]=3 10412 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,1,0,0,0,0|1,0,0]=3 10413 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [1,1,0,0,0,0|2,0,0]=4 10414 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [1,1,0,0,0,0|2,0,0]=4 10415 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [1,1,0,0,0,0|2,0,0]=4 10416 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [1,1,0,0,0,0|2,0,0]=4 10417 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [1,1,0,0,0,0|2,0,0]=4 10418 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [1,1,0,0,0,0|2,0,0]=4 10419 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,1,0,0,0,0|1,0,1]=4 10420 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,1,0,0,0,0|1,0,1]=4 10421 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,1,0,0,0,0|1,0,0]=3 10422 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,1,0,0,0,0|1,0,0]=3 10423 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,1,0,0,0,0|1,0,0]=3 10424 B9R0.2 COCCCCNC(C)C 2230a_100138425928_100000730899 [1,1,0,0,0,0|2,0,0]=4 10425 B9R0.2 COCCCCNC(C)C 34a_100011521146_200000210301 [1,1,0,0,0,0|2,0,0]=4 10426 B9R0.2 COCCCCNC(C)C 34a_100138425928_100000755781 [1,1,0,0,0,0|2,0,0]=4 10427 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [1,1,0,0,0,0|2,0,0]=4 10428 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [1,1,0,0,0,0|2,0,0]=4 10429 B9R0.2 COCCCCSC(C)C 62a_100000210206_100000730899 [1,1,0,0,0,0|2,0,0]=4 10430 B9R0.2 COCCCCSC(C)C 62a_100000730899_100000210206 [1,1,0,0,0,0|2,0,0]=4 10431 B9R0.2 COCCCNCC(C)C 2230a_100000210953_100000740836 [1,1,0,0,0,0|2,0,0]=4 10432 B9R0.2 COCCCNCC(C)C 270004a_100150723488_100000210432 [1,1,0,0,0,0|2,0,0]=4 10433 B9R0.2 COCCCNCC(C)C 34a_100000210953_100000740836 [1,1,0,0,0,0|2,0,0]=4 10434 B9R0.2 COCCCNCC(C)C 34a_100150723488_100000210624 [1,1,0,0,0,0|2,0,0]=4 10435 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [1,1,0,0,0,0|2,0,0]=4 10436 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [1,1,0,0,0,0|2,0,0]=4 10437 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [1,1,0,0,0,0|2,0,0]=4 10438 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [1,1,0,0,0,0|2,0,0]=4 10439 B9R0.2 COCCCOCC(C)Br 34a_100012180447_100000740836 [1,1,0,0,0,0|2,0,0]=4 10440 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [1,1,0,0,0,0|2,0,0]=4 10441 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [1,1,0,0,0,0|2,0,0]=4 10442 B9R0.2 COCCCOCC(C)F 34a_100015925927_100000740836 [1,1,0,0,0,0|2,0,0]=4 10443 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [1,1,0,0,0,0|2,0,0]=4 10444 B9R0.2 COCCCOC[C@@H](C)Cl 34a_100016084084_100000740836 [1,1,0,0,0,0|2,0,0]=4 10445 B9R0.2 COCCCOC[C@@H](C)N 34a_100000737577_100000740836 [1,1,0,0,0,0|2,0,0]=4 10446 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [1,1,0,0,0,0|2,0,0]=4 10447 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [1,1,0,0,0,0|2,0,0]=4 10448 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [1,1,0,0,0,0|2,0,0]=4 10449 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [1,1,0,0,0,0|2,0,0]=4 10450 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [1,1,0,0,0,0|2,0,0]=4 10451 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [1,1,0,0,0,0|2,0,0]=4 10452 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [1,1,0,0,0,0|2,0,0]=4 10453 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [1,1,0,0,0,0|2,0,0]=4 10454 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [1,1,0,0,0,0|2,0,0]=4 10455 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [1,1,0,0,0,0|2,0,0]=4 10456 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [1,1,0,0,0,0|2,0,0]=4 10457 B9R0.2 COCCOCCC(C)Br 34a_100009893172_100011201679 [1,1,0,0,0,0|2,0,0]=4 10458 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [1,1,0,0,0,0|2,0,0]=4 10459 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [1,1,0,0,0,0|2,0,0]=4 10460 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [1,1,0,0,0,0|2,0,0]=4 10461 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [1,1,0,0,0,0|2,0,0]=4 10462 B9R0.2 COCCOCC[C@@H](C)N 34a_100000706166_100011201679 [1,1,0,0,0,0|2,0,0]=4 10463 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [1,1,0,0,0,0|2,0,0]=4 10464 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [1,1,0,0,0,0|2,0,0]=4 10465 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [1,1,0,0,0,0|2,0,0]=4 10466 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [1,1,0,0,0,0|2,0,0]=4 10467 B9R0.2 COCNCCCC(C)C 2230a_200000737386_100000766300 [1,1,0,0,0,0|2,0,0]=4 10468 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [1,1,0,0,0,0|2,0,0]=4 10469 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [1,1,0,0,0,0|2,0,0]=4 10470 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [1,1,0,0,0,0|2,0,0]=4 10471 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [1,1,0,0,0,0|2,0,0]=4 10472 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [1,1,0,0,0,0|2,0,0]=4 10473 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [1,1,0,0,0,0|2,0,0]=4 10474 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [1,1,0,0,0,0|2,0,0]=4 10475 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,1,0,0,0,0|1,0,0]=3 10476 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,1,0,0,0,0|1,0,0]=3 10477 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [1,1,0,0,0,0|2,0,0]=4 10478 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [1,1,0,0,0,0|2,0,0]=4 10479 B9R0.2 CSCCCNCC(C)C 2230a_100000749238_100000210760 [1,1,0,0,0,0|2,0,0]=4 10480 B9R0.2 CSCCCNCC(C)C 270004a_100000749238_100000210432 [1,1,0,0,0,0|2,0,0]=4 10481 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [1,1,0,0,0,0|2,0,0]=4 10482 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [1,1,0,0,0,0|2,0,0]=4 10483 B9R0.2 CSCCCOCC(C)C 34a_100000690336_100000210624 [1,1,0,0,0,0|2,0,0]=4 10484 B9R0.2 CSCCCOCC(C)C 7a_100000690336_100000210760 [1,1,0,0,0,0|2,0,0]=4 10485 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [1,1,0,0,0,0|2,0,0]=4 10486 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [1,1,0,0,0,0|2,0,0]=4 10487 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [1,1,0,0,0,0|2,0,0]=4 10488 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [1,1,0,0,0,0|2,0,0]=4 10489 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [1,1,0,0,0,0|2,0,0]=4 10490 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [1,1,0,0,0,0|2,0,0]=4 10491 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [1,1,0,0,0,0|2,0,0]=4 10492 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [1,1,0,0,0,0|2,0,0]=4 10493 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [1,1,0,0,0,0|2,0,0]=4 10494 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [1,1,0,0,0,0|2,0,0]=4 10495 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [1,1,0,0,0,0|2,0,0]=4 10496 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [1,1,0,0,0,0|2,0,0]=4 10497 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [1,1,0,0,0,0|2,0,0]=4 10498 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [1,1,0,0,0,0|2,0,0]=4 10499 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [1,1,0,0,0,0|2,0,0]=4 10500 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [1,1,0,0,0,0|2,0,0]=4 10501 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [1,1,0,0,0,0|2,0,0]=4 10502 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [1,1,0,0,0,0|2,0,0]=4 10503 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [1,1,0,0,0,0|2,0,0]=4 10504 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [1,1,0,0,0,0|2,0,0]=4 10505 B9R0.2 CSCNCCCC(C)C 2230a_200000737386_100011218213 [1,1,0,0,0,0|2,0,0]=4 10506 B9R0.2 CSCNCCCC(C)C 34a_200000737386_100011218213 [1,1,0,0,0,0|2,0,0]=4 10507 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [1,1,0,0,0,0|2,0,0]=4 10508 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [1,1,0,0,0,0|2,0,0]=4 10509 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [1,1,0,0,0,0|2,0,0]=4 10510 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [1,1,0,0,0,0|2,0,0]=4 10511 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [1,1,0,0,0,0|2,0,0]=4 10512 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [1,1,0,0,0,0|2,0,0]=4 10513 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [1,1,0,0,0,0|1,0,0]=3 10514 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [1,1,0,0,0,0|2,0,0]=4 10515 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [1,1,0,0,0,0|1,0,0]=3 10516 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [1,1,0,0,0,0|2,0,0]=4 10517 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [1,1,0,0,0,0|1,0,0]=3 10518 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [1,1,0,0,0,0|1,0,0]=3 10519 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [1,1,0,0,0,0|1,0,0]=3 10520 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [1,1,0,0,0,0|2,0,0]=4 10521 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [1,1,0,0,0,0|2,0,0]=4 10522 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [1,1,0,0,0,0|2,0,0]=4 10523 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [1,1,0,0,0,0|2,0,0]=4 10524 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [1,1,0,0,0,0|2,0,0]=4 10525 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [1,1,0,0,0,0|2,0,0]=4 10526 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [1,1,0,0,0,0|2,0,0]=4 10527 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [1,1,0,0,0,0|2,0,0]=4 10528 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [1,1,0,0,0,0|2,0,0]=4 10529 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [1,1,0,0,0,0|1,0,0]=3 10530 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [1,1,0,0,0,0|1,0,0]=3 10531 B9R0.2 OCCCCNCC(F)F 2230a_100000750430_100011934356 [1,1,0,0,0,0|2,0,0]=4 10532 B9R0.2 OCCCCNCC(F)F 34a_100000750430_100011934356 [1,1,0,0,0,0|2,0,0]=4 10533 B9R0.2 OCCCCNCC(F)F 34a_100000765723_100011216708 [1,1,0,0,0,0|2,0,0]=4 10534 B9R0.2 OCCCCOCC(F)F 34a_100000743014_100011216708 [1,1,0,0,0,0|2,0,0]=4 10535 B9R0.2 OCCCCSCC(F)F 62a_100000210776_100011934356 [1,1,0,0,0,0|2,0,0]=4 10536 B9R0.2 OCCCCSCC(F)F 62a_100011934356_100000210776 [1,1,0,0,0,0|2,0,0]=4 10537 B9R0.2 OCCCOCCC(F)F 34a_100103093639_100000230001 [1,1,0,0,0,0|2,0,0]=4 10538 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,1,0,0,0,0|0,0,1]=3 10539 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [1,1,0,0,0,0|2,0,0]=4 10540 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [1,1,0,0,0,0|2,0,0]=4 10541 B9R0.5 CC(CCBr)OCCCO 34a_100012276601_100000230001 [1,1,0,0,0,0|2,0,0]=4 10542 B9R0.5 CC(CCN)COCCO 34a_106354213184_100000211926 [1,1,0,0,0,0|2,0,0]=4 10543 B9R0.5 CC(CCO)NCCCF 2230a_100015189416_100009893172 [1,1,0,0,0,0|2,0,0]=4 10544 B9R0.5 CC(CCO)NCCCF 34a_100015189416_100009893172 [1,1,0,0,0,0|2,0,0]=4 10545 B9R0.5 CC(CCO)OCCCBr 34a_100011217188_100009893172 [1,1,0,0,0,0|2,0,0]=4 10546 B9R0.5 CC(CCO)OCCCCl 34a_100000230001_100009893172 [1,1,0,0,0,0|2,0,0]=4 10547 B9R0.5 CC(CCO)OCCCF 34a_100000759539_100009893172 [1,1,0,0,0,0|2,0,0]=4 10548 B9R0.5 CC(CCO)OCCCN 34a_100000182051_100009893172 [1,1,0,0,0,0|2,0,0]=4 10549 B9R0.5 CC(CCO)SCCCF 62a_100009893172_100011934791 [1,1,0,0,0,0|2,0,0]=4 10550 B9R0.5 CC(CCO)SCCCF 62a_100011934791_100009893172 [1,1,0,0,0,0|2,0,0]=4 10551 B9R0.5 CC(CCO)SCCCO 62a_100009893172_100011215043 [1,1,0,0,0,0|2,0,0]=4 10552 B9R0.5 CC(CCO)SCCCO 62a_100011215043_100009893172 [1,1,0,0,0,0|2,0,0]=4 10553 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|1,0,1]=4 10554 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|0,0,1]=3 10555 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|0,0,1]=3 10556 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,1,0,0,0,0|1,0,1]=4 10557 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,1,0,0,0,0|1,0,1]=4 10558 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,1,0,0,0,0|1,0,1]=4 10559 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|1,0,1]=4 10560 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|1,0,1]=4 10561 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,1,0,0,0,0|1,0,1]=4 10562 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,1,0,0,0,0|1,0,1]=4 10563 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,1,0,0,0,0|1,0,1]=4 10564 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,1,0,0,0,0|1,0,1]=4 10565 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,1,0,0,0,0|1,0,1]=4 10566 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,1,0,0,0,0|1,0,1]=4 10567 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,1,0,0,0,0|1,0,1]=4 10568 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,1,0,0,0,0|1,0,1]=4 10569 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [1,1,0,0,0,0|1,0,0]=3 10570 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [1,1,0,0,0,0|1,0,0]=3 10571 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [1,1,0,0,0,0|1,0,0]=3 10572 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [1,1,0,0,0,0|1,0,0]=3 10573 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,1,0,0,0,0|1,0,0]=3 10574 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,1,0,0,0,0|1,0,0]=3 10575 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [1,1,0,0,0,0|2,0,0]=4 10576 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [1,1,0,0,0,0|2,0,0]=4 10577 B9R0.5 CCCC(C)CNCCF 34a_100000724931_100011216630 [1,1,0,0,0,0|2,0,0]=4 10578 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [1,1,0,0,0,0|1,0,0]=3 10579 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [1,1,0,0,0,0|1,0,0]=3 10580 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [1,1,0,0,0,0|1,0,0]=3 10581 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [1,1,0,0,0,0|2,0,0]=4 10582 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [1,1,0,0,0,0|2,0,0]=4 10583 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [1,1,0,0,0,0|2,0,0]=4 10584 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [1,1,0,0,0,0|2,0,0]=4 10585 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [1,1,0,0,0,0|1,0,0]=3 10586 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [1,1,0,0,0,0|1,0,0]=3 10587 B9R0.5 CCCC(C)COCSC 34a_100000688023_100011218213 [1,1,0,0,0,0|2,0,0]=4 10588 B9R0.5 CCCC(C)CSCCF 62a_100011216630_100011217306 [1,1,0,0,0,0|2,0,0]=4 10589 B9R0.5 CCCC(C)CSCCF 62a_100011217306_100011216630 [1,1,0,0,0,0|2,0,0]=4 10590 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [1,1,0,0,0,0|1,0,0]=3 10591 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [1,1,0,0,0,0|1,0,0]=3 10592 B9R0.5 CCCC(C)CSCOC 62a_100000766300_100011216630 [1,1,0,0,0,0|2,0,0]=4 10593 B9R0.5 CCCC(C)CSCOC 62a_100011216630_100000766300 [1,1,0,0,0,0|2,0,0]=4 10594 B9R0.5 CCCC(C)CSCSC 62a_100011216630_100011218213 [1,1,0,0,0,0|2,0,0]=4 10595 B9R0.5 CCCC(C)CSCSC 62a_100011218213_100011216630 [1,1,0,0,0,0|2,0,0]=4 10596 B9R0.5 CCCC(C)NCCCF 2230a_100000741246_100011934791 [1,1,0,0,0,0|2,0,0]=4 10597 B9R0.5 CCCC(C)NCCCF 2230a_100015189416_100000766640 [1,1,0,0,0,0|2,0,0]=4 10598 B9R0.5 CCCC(C)NCCCF 270004a_100015189416_100000211909 [1,1,0,0,0,0|2,0,0]=4 10599 B9R0.5 CCCC(C)NCCCF 34a_100015189416_100000766640 [1,1,0,0,0,0|2,0,0]=4 10600 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [1,1,0,0,0,0|1,0,0]=3 10601 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [1,1,0,0,0,0|1,0,0]=3 10602 B9R0.5 CCCC(C)NCCOC 2230a_100000209980_100000766640 [1,1,0,0,0,0|2,0,0]=4 10603 B9R0.5 CCCC(C)NCCOC 2230a_100000741246_100011201679 [1,1,0,0,0,0|2,0,0]=4 10604 B9R0.5 CCCC(C)NCCOC 270004a_100000209980_100000211909 [1,1,0,0,0,0|2,0,0]=4 10605 B9R0.5 CCCC(C)NCCSC 2230a_100000741246_100000751147 [1,1,0,0,0,0|2,0,0]=4 10606 B9R0.5 CCCC(C)NCCSC 2230a_100020590264_100000766640 [1,1,0,0,0,0|2,0,0]=4 10607 B9R0.5 CCCC(C)NCCSC 270004a_100020590264_100000211909 [1,1,0,0,0,0|2,0,0]=4 10608 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [1,1,0,0,0,0|2,0,0]=4 10609 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [1,1,0,0,0,0|2,0,0]=4 10610 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [1,1,0,0,0,0|2,0,0]=4 10611 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [1,1,0,0,0,0|2,0,0]=4 10612 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [1,1,0,0,0,0|2,0,0]=4 10613 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [1,1,0,0,0,0|2,0,0]=4 10614 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [1,1,0,0,0,0|1,0,0]=3 10615 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [1,1,0,0,0,0|1,0,0]=3 10616 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [1,1,0,0,0,0|2,0,0]=4 10617 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [1,1,0,0,0,0|2,0,0]=4 10618 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [1,1,0,0,0,0|2,0,0]=4 10619 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [1,1,0,0,0,0|2,0,0]=4 10620 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [1,1,0,0,0,0|2,0,0]=4 10621 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [1,1,0,0,0,0|2,0,0]=4 10622 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [1,1,0,0,0,0|2,0,0]=4 10623 B9R0.5 CCCC(C)SCCCF 62a_100000766640_100011934791 [1,1,0,0,0,0|2,0,0]=4 10624 B9R0.5 CCCC(C)SCCCF 62a_100011934791_100000766640 [1,1,0,0,0,0|2,0,0]=4 10625 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [1,1,0,0,0,0|1,0,0]=3 10626 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [1,1,0,0,0,0|1,0,0]=3 10627 B9R0.5 CCCC(C)SCCOC 62a_100000233755_100000766640 [1,1,0,0,0,0|2,0,0]=4 10628 B9R0.5 CCCC(C)SCCOC 62a_100000766640_100000233755 [1,1,0,0,0,0|2,0,0]=4 10629 B9R0.5 CCCC(C)SCCSC 62a_100000212216_100000766640 [1,1,0,0,0,0|2,0,0]=4 10630 B9R0.5 CCCC(C)SCCSC 62a_100000766640_100000751147 [1,1,0,0,0,0|2,0,0]=4 10631 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [1,1,0,0,0,0|2,0,0]=4 10632 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [1,1,0,0,0,0|2,0,0]=4 10633 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|0,0,1]=3 10634 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|0,0,1]=3 10635 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,1,0,0,0,0|1,0,1]=4 10636 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|0,0,1]=3 10637 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|0,0,1]=3 10638 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,1,0,0,0,0|1,0,1]=4 10639 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,1,0,0,0,0|1,0,1]=4 10640 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,1,0,0,0,0|1,0,1]=4 10641 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,1,0,0,0,0|1,0,1]=4 10642 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,1,0,0,0,0|1,0,1]=4 10643 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,1,0,0,0,0|1,0,1]=4 10644 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,1,0,0,0,0|1,0,1]=4 10645 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,1,0,0,0,0|1,0,1]=4 10646 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,1,0,0,0,0|1,0,1]=4 10647 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,1,0,0,0,0|1,0,1]=4 10648 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 10649 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 10650 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 10651 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,1,0,0,0,0|1,0,0]=3 10652 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,1,0,0,0,0|1,0,0]=3 10653 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,1,0,0,0,0|1,0,0]=3 10654 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,1,0,0,0,0|1,0,0]=3 10655 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,1,0,0,0,0|1,0,0]=3 10656 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,1,0,0,0,0|1,0,0]=3 10657 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [1,1,0,0,0,0|2,0,0]=4 10658 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [1,1,0,0,0,0|2,0,0]=4 10659 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [1,1,0,0,0,0|1,0,0]=3 10660 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [1,1,0,0,0,0|1,0,0]=3 10661 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [1,1,0,0,0,0|2,0,0]=4 10662 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [1,1,0,0,0,0|2,0,0]=4 10663 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,1,0,0,0,0|1,0,0]=3 10664 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,1,0,0,0,0|1,0,0]=3 10665 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,1,0,0,0,0|1,0,0]=3 10666 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,1,0,0,0,0|1,0,0]=3 10667 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,1,0,0,0,0|1,0,0]=3 10668 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,1,0,0,0,0|1,0,0]=3 10669 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [1,1,0,0,0,0|2,0,0]=4 10670 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [1,1,0,0,0,0|2,0,0]=4 10671 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,1,0,0,0,0|1,0,0]=3 10672 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,1,0,0,0,0|1,0,0]=3 10673 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,1,0,0,0,0|1,0,0]=3 10674 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,1,0,0,0,0|1,0,0]=3 10675 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,1,0,0,0,0|1,0,0]=3 10676 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,1,0,0,0,0|1,0,0]=3 10677 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [1,1,0,0,0,0|2,0,0]=4 10678 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [1,1,0,0,0,0|2,0,0]=4 10679 B9R0.5 CCCCCN(C)CSC 2230a_100000223495_100011218213 [1,1,0,0,0,0|2,0,0]=4 10680 B9R0.5 CCCCCN(C)CSC 269982a_100000223495_100011218213 [1,1,0,0,0,0|2,0,0]=4 10681 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,1,0,0,0,0|1,0,0]=3 10682 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,1,0,0,0,0|1,0,0]=3 10683 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,1,0,0,0,0|1,0,0]=3 10684 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,1,0,0,0,0|1,0,0]=3 10685 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 10686 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 10687 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 10688 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 10689 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,1,0,0,0,0|1,0,1]=4 10690 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [1,1,0,0,0,0|1,0,0]=3 10691 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [1,1,0,0,0,0|1,0,0]=3 10692 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [1,1,0,0,0,0|1,0,0]=3 10693 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [1,1,0,0,0,0|1,0,0]=3 10694 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [1,1,0,0,0,0|1,0,0]=3 10695 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [1,1,0,0,0,0|1,0,0]=3 10696 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [1,1,0,0,0,0|2,0,0]=4 10697 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [1,1,0,0,0,0|2,0,0]=4 10698 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [1,1,0,0,0,0|2,0,0]=4 10699 B9R0.5 CCCCNC(C)CSC 270004a_100000102301_100011216314 [1,1,0,0,0,0|2,0,0]=4 10700 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [1,1,0,0,0,0|1,0,0]=3 10701 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [1,1,0,0,0,0|1,0,0]=3 10702 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [1,1,0,0,0,0|2,0,0]=4 10703 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [1,1,0,0,0,0|2,0,0]=4 10704 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,1,0,0,0,0|1,0,0]=3 10705 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,1,0,0,0,0|1,0,0]=3 10706 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,1,0,0,0,0|1,0,0]=3 10707 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,1,0,0,0,0|1,0,0]=3 10708 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,1,0,0,0,0|1,0,0]=3 10709 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,1,0,0,0,0|1,0,0]=3 10710 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [1,1,0,0,0,0|2,0,0]=4 10711 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [1,1,0,0,0,0|2,0,0]=4 10712 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [1,1,0,0,0,0|2,0,0]=4 10713 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [1,1,0,0,0,0|1,0,0]=3 10714 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [1,1,0,0,0,0|1,0,0]=3 10715 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [1,1,0,0,0,0|1,0,0]=3 10716 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [1,1,0,0,0,0|1,0,0]=3 10717 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [1,1,0,0,0,0|2,0,0]=4 10718 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [1,1,0,0,0,0|2,0,0]=4 10719 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [1,1,0,0,0,0|2,0,0]=4 10720 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [1,1,0,0,0,0|2,0,0]=4 10721 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [1,1,0,0,0,0|1,0,0]=3 10722 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [1,1,0,0,0,0|1,0,0]=3 10723 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [1,1,0,0,0,0|1,0,0]=3 10724 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [1,1,0,0,0,0|1,0,0]=3 10725 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [1,1,0,0,0,0|2,0,0]=4 10726 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [1,1,0,0,0,0|2,0,0]=4 10727 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [1,1,0,0,0,0|2,0,0]=4 10728 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [1,1,0,0,0,0|2,0,0]=4 10729 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [1,1,0,0,0,0|2,0,0]=4 10730 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [1,1,0,0,0,0|2,0,0]=4 10731 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [1,1,0,0,0,0|2,0,0]=4 10732 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [1,1,0,0,0,0|2,0,0]=4 10733 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [1,1,0,0,0,0|1,0,0]=3 10734 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [1,1,0,0,0,0|2,0,0]=4 10735 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [1,1,0,0,0,0|2,0,0]=4 10736 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,1,0,0,0,0|1,0,1]=4 10737 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,1,0,0,0,0|1,0,1]=4 10738 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,1,0,0,0,0|1,0,0]=3 10739 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,1,0,0,0,0|1,0,0]=3 10740 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,1,0,0,0,0|1,0,0]=3 10741 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [1,1,0,0,0,0|2,0,0]=4 10742 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [1,1,0,0,0,0|2,0,0]=4 10743 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [1,1,0,0,0,0|2,0,0]=4 10744 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,1,0,0,0,0|1,0,0]=3 10745 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,1,0,0,0,0|1,0,1]=4 10746 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,1,0,0,0,0|1,0,1]=4 10747 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,1,0,0,0,0|1,0,1]=4 10748 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,1,0,0,0,0|1,0,1]=4 10749 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [1,1,0,0,0,0|1,0,0]=3 10750 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [1,1,0,0,0,0|1,0,0]=3 10751 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [1,1,0,0,0,0|2,0,0]=4 10752 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [1,1,0,0,0,0|2,0,0]=4 10753 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [1,1,0,0,0,0|2,0,0]=4 10754 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,1,0,0,0,0|1,0,0]=3 10755 B9R0.5 CCC[C@H](N)CCOCF 34a_100015193777_100015361967 [1,1,0,0,0,0|2,0,0]=4 10756 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [1,1,0,0,0,0|2,0,0]=4 10757 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [1,1,0,0,0,0|1,0,0]=3 10758 B9R0.5 CCC[C@H](N)COCSC 34a_100000732646_100011218213 [1,1,0,0,0,0|2,0,0]=4 10759 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [1,1,0,0,0,0|2,0,0]=4 10760 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [1,1,0,0,0,0|2,0,0]=4 10761 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [1,1,0,0,0,0|2,0,0]=4 10762 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [1,1,0,0,0,0|2,0,0]=4 10763 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,1,0,0,0,0|1,0,1]=4 10764 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,1,0,0,0,0|1,0,1]=4 10765 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [1,1,0,0,0,0|2,0,0]=4 10766 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [1,1,0,0,0,0|2,0,0]=4 10767 B9R0.5 CCOCSC(C)CCO 62a_100000739092_100009893172 [1,1,0,0,0,0|2,0,0]=4 10768 B9R0.5 CCOCSC(C)CCO 62a_100009893172_100000739092 [1,1,0,0,0,0|2,0,0]=4 10769 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,1,0,0,0,0|1,0,1]=4 10770 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,1,0,0,0,0|1,0,1]=4 10771 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [1,1,0,0,0,0|2,0,0]=4 10772 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [1,1,0,0,0,0|2,0,0]=4 10773 B9R0.5 CN(CCF)CCCCO 2230a_100000717598_100011217306 [1,1,0,0,0,0|2,0,0]=4 10774 B9R0.5 CN(CCF)CCCCO 269982a_100000717598_100011217306 [1,1,0,0,0,0|2,0,0]=4 10775 B9R0.5 CN(CCO)CCCCF 2230a_100000210263_100000729493 [1,1,0,0,0,0|2,0,0]=4 10776 B9R0.5 CN(CCO)CCCCF 269982a_100000210263_100000729493 [1,1,0,0,0,0|2,0,0]=4 10777 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [1,1,0,0,0,0|2,0,0]=4 10778 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [1,1,0,0,0,0|2,0,0]=4 10779 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [1,1,0,0,0,0|2,0,0]=4 10780 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [1,1,0,0,0,0|2,0,0]=4 10781 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,1,0,0,0,0|1,0,1]=4 10782 B9R0.5 COCC(C)NCCCO 270004a_100000182051_100000749346 [1,1,0,0,0,0|2,0,0]=4 10783 B9R0.5 COCC(C)SCCCO 62a_100000765312_100011215043 [1,1,0,0,0,0|2,0,0]=4 10784 B9R0.5 COCC(C)SCCCO 62a_100011215043_100000765312 [1,1,0,0,0,0|2,0,0]=4 10785 B9R0.5 COCC(N)COCCO 34a_100000724102_100000211926 [1,1,0,0,0,0|2,0,0]=4 10786 B9R0.5 COCC(O)CNCCO 2230a_100000756049_100000211926 [1,1,0,0,0,0|2,0,0]=4 10787 B9R0.5 COCC(O)CNCCO 34a_100000756049_100000211926 [1,1,0,0,0,0|2,0,0]=4 10788 B9R0.5 COCC(O)CNCCO 34a_100016990907_100011215053 [1,1,0,0,0,0|2,0,0]=4 10789 B9R0.5 COCC(O)CSCCO 62a_100000211926_100011215053 [1,1,0,0,0,0|2,0,0]=4 10790 B9R0.5 COCC(O)CSCCO 62a_100011215053_100000211926 [1,1,0,0,0,0|2,0,0]=4 10791 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,1,0,0,0,0|1,0,1]=4 10792 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,1,0,0,0,0|1,0,1]=4 10793 B9R0.5 COCCCN(C)CCO 2230a_100000210263_100000740836 [1,1,0,0,0,0|2,0,0]=4 10794 B9R0.5 COCCCN(C)CCO 2230a_100000224831_100000211926 [1,1,0,0,0,0|2,0,0]=4 10795 B9R0.5 COCCCN(C)CCO 269982a_100000210263_100000740836 [1,1,0,0,0,0|2,0,0]=4 10796 B9R0.5 COCCCN(C)CCO 269982a_100000224831_100000211926 [1,1,0,0,0,0|2,0,0]=4 10797 B9R0.5 COCCNC(C)CCO 2230a_100000209980_100009893172 [1,1,0,0,0,0|2,0,0]=4 10798 B9R0.5 COCCN[C@H](C)CCO 2230a_100000706166_100011201679 [1,1,0,0,0,0|2,0,0]=4 10799 B9R0.5 COCCN[C@H](C)CCO 34a_100000706166_100011201679 [1,1,0,0,0,0|2,0,0]=4 10800 B9R0.5 COCCOC(C)CCO 34a_100000210237_100009893172 [1,1,0,0,0,0|2,0,0]=4 10801 B9R0.5 COCCSC(C)CCO 62a_100000233755_100009893172 [1,1,0,0,0,0|2,0,0]=4 10802 B9R0.5 COCCSC(C)CCO 62a_100009893172_100000233755 [1,1,0,0,0,0|2,0,0]=4 10803 B9R0.5 COCN(C)CCCCO 2230a_100000717598_100000766300 [1,1,0,0,0,0|2,0,0]=4 10804 B9R0.5 COCN(C)CCCCO 269982a_100000717598_100000766300 [1,1,0,0,0,0|2,0,0]=4 10805 B9R0.5 COC[C@@H](C)NCCCO 2230a_100000764878_100000230001 [1,1,0,0,0,0|2,0,0]=4 10806 B9R0.5 COC[C@@H](C)OCCCO 34a_100011934205_100000230001 [1,1,0,0,0,0|2,0,0]=4 10807 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [1,1,0,0,0,0|2,0,0]=4 10808 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,1,0,0,0,0|1,0,1]=4 10809 B9R0.5 CSCC(C)NCCCO 270004a_100000182051_100011216314 [1,1,0,0,0,0|2,0,0]=4 10810 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,1,0,0,0,0|1,0,1]=4 10811 B9R0.5 CSCCNC(C)CCO 2230a_100020590264_100009893172 [1,1,0,0,0,0|2,0,0]=4 10812 B9R0.5 CSCCN[C@H](C)CCO 2230a_100000706166_100000751147 [1,1,0,0,0,0|2,0,0]=4 10813 B9R0.5 CSCCN[C@H](C)CCO 34a_100000706166_100000212216 [1,1,0,0,0,0|2,0,0]=4 10814 B9R0.5 CSCCOC(C)CCO 34a_100000230434_100009893172 [1,1,0,0,0,0|2,0,0]=4 10815 B9R0.5 CSCCOC(C)CCO 7a_100000230434_100009893172 [1,1,0,0,0,0|2,0,0]=4 10816 B9R0.5 CSCCSC(C)CCO 62a_100000212216_100009893172 [1,1,0,0,0,0|2,0,0]=4 10817 B9R0.5 CSCCSC(C)CCO 62a_100009893172_100000751147 [1,1,0,0,0,0|2,0,0]=4 10818 B9R0.5 CSCN(C)CCCCO 2230a_100000717598_100011218213 [1,1,0,0,0,0|2,0,0]=4 10819 B9R0.5 CSCN(C)CCCCO 269982a_100000717598_100011218213 [1,1,0,0,0,0|2,0,0]=4 10820 B9R0.5 C[C@H](CCO)NCCCF 2230a_100000706166_100011934791 [1,1,0,0,0,0|2,0,0]=4 10821 B9R0.5 C[C@H](CCO)NCCCF 34a_100000706166_100011934791 [1,1,0,0,0,0|2,0,0]=4 10822 B9R0.5 C[C@H](CCO)NCCCO 2230a_100000706166_100000230001 [1,1,0,0,0,0|2,0,0]=4 10823 B9R0.5 C[C@H](CCO)NCCCO 34a_100000706166_100000230001 [1,1,0,0,0,0|2,0,0]=4 10824 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,1,0,0,0,0|1,0,1]=4 10825 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,1,0,0,0,0|1,0,1]=4 10826 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,1,0,0,0,0|1,0,1]=4 10827 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,1,0,0,0,0|1,0,1]=4 10828 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [1,1,0,0,0,0|2,0,0]=4 10829 B9R0.18 CC(CCCCl)OCCO 34a_200000718107_100000211926 [1,1,0,0,0,0|2,0,0]=4 10830 B9R0.18 CC(CCCCl)OCCO 7a_200000718107_100000211926 [1,1,0,0,0,0|2,0,0]=4 10831 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|0,0,1]=3 10832 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,1,0,0,0,0|1,0,1]=4 10833 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|0,0,1]=3 10834 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [1,1,0,0,0,0|1,0,1]=4 10835 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [1,1,0,0,0,0|1,0,1]=4 10836 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [1,1,0,0,0,0|1,0,1]=4 10837 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [1,1,0,0,0,0|1,0,1]=4 10838 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,1,0,0,0,0|1,0,1]=4 10839 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [1,1,0,0,0,0|1,0,1]=4 10840 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 10841 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 10842 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 10843 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 10844 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [1,1,0,0,0,0|1,0,1]=4 10845 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [1,1,0,0,0,0|1,0,1]=4 10846 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [1,1,0,0,0,0|1,0,0]=3 10847 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [1,1,0,0,0,0|1,0,0]=3 10848 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [1,1,0,0,0,0|2,0,0]=4 10849 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [1,1,0,0,0,0|2,0,0]=4 10850 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [1,1,0,0,0,0|1,0,0]=3 10851 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [1,1,0,0,0,0|1,0,0]=3 10852 B9R0.18 CCCCC(C)NCCF 2230a_100000126638_100011217306 [1,1,0,0,0,0|2,0,0]=4 10853 B9R0.18 CCCCC(C)NCCF 34a_100000724931_200011215066 [1,1,0,0,0,0|2,0,0]=4 10854 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [1,1,0,0,0,0|1,0,0]=3 10855 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [1,1,0,0,0,0|1,0,0]=3 10856 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [1,1,0,0,0,0|1,0,0]=3 10857 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [1,1,0,0,0,0|1,0,0]=3 10858 B9R0.18 CCCCC(C)NCOC 2230a_100000126638_100000766300 [1,1,0,0,0,0|2,0,0]=4 10859 B9R0.18 CCCCC(C)NCSC 2230a_100000126638_100011218213 [1,1,0,0,0,0|2,0,0]=4 10860 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [1,1,0,0,0,0|2,0,0]=4 10861 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [1,1,0,0,0,0|1,0,0]=3 10862 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [1,1,0,0,0,0|1,0,0]=3 10863 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [1,1,0,0,0,0|1,0,0]=3 10864 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [1,1,0,0,0,0|2,0,0]=4 10865 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [1,1,0,0,0,0|2,0,0]=4 10866 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [1,1,0,0,0,0|2,0,0]=4 10867 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,1,0,0,0,0|1,0,0]=3 10868 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,1,0,0,0,0|1,0,0]=3 10869 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [1,1,0,0,0,0|2,0,0]=4 10870 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [1,1,0,0,0,0|1,0,0]=3 10871 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [1,1,0,0,0,0|1,0,0]=3 10872 B9R0.18 CCCCC(C)SCCF 62a_100011217306_200011215066 [1,1,0,0,0,0|2,0,0]=4 10873 B9R0.18 CCCCC(C)SCCF 62a_200011215066_100011217306 [1,1,0,0,0,0|2,0,0]=4 10874 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [1,1,0,0,0,0|1,0,0]=3 10875 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [1,1,0,0,0,0|1,0,0]=3 10876 B9R0.18 CCCCC(C)SCOC 62a_100000766300_200011215066 [1,1,0,0,0,0|2,0,0]=4 10877 B9R0.18 CCCCC(C)SCOC 62a_200011215066_100000766300 [1,1,0,0,0,0|2,0,0]=4 10878 B9R0.18 CCCCC(C)SCSC 62a_100011218213_200011215066 [1,1,0,0,0,0|2,0,0]=4 10879 B9R0.18 CCCCC(C)SCSC 62a_200011215066_100011218213 [1,1,0,0,0,0|2,0,0]=4 10880 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [1,1,0,0,0,0|1,0,0]=3 10881 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [1,1,0,0,0,0|1,0,0]=3 10882 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [1,1,0,0,0,0|1,0,0]=3 10883 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [1,1,0,0,0,0|1,0,0]=3 10884 B9R0.18 CCCCN(C)CCCF 2230a_100000207549_100011934791 [1,1,0,0,0,0|2,0,0]=4 10885 B9R0.18 CCCCN(C)CCCF 269982a_100000207549_100011934791 [1,1,0,0,0,0|2,0,0]=4 10886 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [1,1,0,0,0,0|1,0,0]=3 10887 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [1,1,0,0,0,0|1,0,0]=3 10888 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [1,1,0,0,0,0|1,0,0]=3 10889 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [1,1,0,0,0,0|1,0,0]=3 10890 B9R0.18 CCCCN(C)CCOC 2230a_100000207391_200000210301 [1,1,0,0,0,0|2,0,0]=4 10891 B9R0.18 CCCCN(C)CCOC 2230a_100000207549_100011201679 [1,1,0,0,0,0|2,0,0]=4 10892 B9R0.18 CCCCN(C)CCOC 2230a_100000743101_100000210211 [1,1,0,0,0,0|2,0,0]=4 10893 B9R0.18 CCCCN(C)CCOC 269982a_100000207391_200000210301 [1,1,0,0,0,0|2,0,0]=4 10894 B9R0.18 CCCCN(C)CCOC 269982a_100000207549_100000233755 [1,1,0,0,0,0|2,0,0]=4 10895 B9R0.18 CCCCN(C)CCOC 269982a_100000743101_100000210211 [1,1,0,0,0,0|2,0,0]=4 10896 B9R0.18 CCCCN(C)CCSC 2230a_100000207549_100000751147 [1,1,0,0,0,0|2,0,0]=4 10897 B9R0.18 CCCCN(C)CCSC 2230a_100000686725_100000210211 [1,1,0,0,0,0|2,0,0]=4 10898 B9R0.18 CCCCN(C)CCSC 269982a_100000207549_100000212216 [1,1,0,0,0,0|2,0,0]=4 10899 B9R0.18 CCCCN(C)CCSC 269982a_100000686725_100000210211 [1,1,0,0,0,0|2,0,0]=4 10900 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [1,1,0,0,0,0|2,0,0]=4 10901 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [1,1,0,0,0,0|1,0,0]=3 10902 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [1,1,0,0,0,0|1,0,0]=3 10903 B9R0.18 CCCCN([13CH3])CCOC 2230a_100000207391_200025704644 [1,1,0,0,0,0|2,0,0]=4 10904 B9R0.18 CCCCN([13CH3])CCOC 269982a_100000207391_200025704644 [1,1,0,0,0,0|2,0,0]=4 10905 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [1,1,0,0,0,0|1,0,0]=3 10906 B9R0.18 CCCC[C@H](N)COCF 34a_100011934283_100015361967 [1,1,0,0,0,0|2,0,0]=4 10907 B9R0.18 CCCNC(C)CCOC 270004a_100020643023_100000742357 [1,1,0,0,0,0|2,0,0]=4 10908 B9R0.18 CCCNC(C)CCSC 270004a_100020643023_100011217047 [1,1,0,0,0,0|2,0,0]=4 10909 B9R0.18 CCCNC(C)CSCC 270004a_100020643023_200011216171 [1,1,0,0,0,0|2,0,0]=4 10910 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [1,1,0,0,0,0|2,0,0]=4 10911 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [1,1,0,0,0,0|2,0,0]=4 10912 B9R0.18 CCCOC(C)CNCC 2230a_100015185124_100000210202 [1,1,0,0,0,0|2,0,0]=4 10913 B9R0.18 CCCOC(C)CNCC 34a_100015185124_100000210202 [1,1,0,0,0,0|2,0,0]=4 10914 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [1,1,0,0,0,0|2,0,0]=4 10915 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [1,1,0,0,0,0|2,0,0]=4 10916 B9R0.18 CCNCC(O)COCC 2230a_102515437182_100000210202 [1,1,0,0,0,0|2,0,0]=4 10917 B9R0.18 CCNCC(O)COCC 34a_102515437182_100000210202 [1,1,0,0,0,0|2,0,0]=4 10918 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [1,1,0,0,0,0|1,0,0]=3 10919 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [1,1,0,0,0,0|1,0,0]=3 10920 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,1,0,0,0,0|1,0,1]=4 10921 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [1,1,0,0,0,0|2,0,0]=4 10922 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [1,1,0,0,0,0|2,0,0]=4 10923 B9R0.18 CCOCN(C)CCCO 269982a_100000213112_100000739092 [1,1,0,0,0,0|2,0,0]=4 10924 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [1,1,0,0,0,0|2,0,0]=4 10925 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [1,1,0,0,0,0|1,0,1]=4 10926 B9R0.18 CCSCC(C)NCCO 270004a_100000210304_200011216171 [1,1,0,0,0,0|2,0,0]=4 10927 B9R0.18 CN(CCCO)CCCF 2230a_100000213112_100011934791 [1,1,0,0,0,0|2,0,0]=4 10928 B9R0.18 CN(CCCO)CCCF 269982a_100000213112_100011934791 [1,1,0,0,0,0|2,0,0]=4 10929 B9R0.18 CN(CCCO)CCCO 2230a_100000212923_200000210301 [1,1,0,0,0,0|2,0,0]=4 10930 B9R0.18 CN(CCCO)CCCO 2230a_100000213112_100000230001 [1,1,0,0,0,0|2,0,0]=4 10931 B9R0.18 CN(CCCO)CCCO 269982a_100000212923_200000210301 [1,1,0,0,0,0|2,0,0]=4 10932 B9R0.18 CN(CCCO)CCCO 269982a_100000213112_100011215043 [1,1,0,0,0,0|2,0,0]=4 10933 B9R0.18 CN(CCCO)CCCO 34a_100000212923_200000210301 [1,1,0,0,0,0|2,0,0]=4 10934 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [1,1,0,0,0,0|1,0,1]=4 10935 B9R0.18 COCCC(C)NCCO 270004a_100000210304_100000742357 [1,1,0,0,0,0|2,0,0]=4 10936 B9R0.18 COCCN(C)CCCO 2230a_100000213112_100011201679 [1,1,0,0,0,0|2,0,0]=4 10937 B9R0.18 COCCN(C)CCCO 2230a_100000743101_100000230001 [1,1,0,0,0,0|2,0,0]=4 10938 B9R0.18 COCCN(C)CCCO 269982a_100000213112_100000233755 [1,1,0,0,0,0|2,0,0]=4 10939 B9R0.18 COCCN(C)CCCO 269982a_100000743101_100011215043 [1,1,0,0,0,0|2,0,0]=4 10940 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [1,1,0,0,0,0|1,0,1]=4 10941 B9R0.18 CSCCC(C)NCCO 270004a_100000210304_100011217047 [1,1,0,0,0,0|2,0,0]=4 10942 B9R0.18 CSCCN(C)CCCO 2230a_100000213112_100000751147 [1,1,0,0,0,0|2,0,0]=4 10943 B9R0.18 CSCCN(C)CCCO 2230a_100000686725_100000230001 [1,1,0,0,0,0|2,0,0]=4 10944 B9R0.18 CSCCN(C)CCCO 269982a_100000213112_100000212216 [1,1,0,0,0,0|2,0,0]=4 10945 B9R0.18 CSCCN(C)CCCO 269982a_100000686725_100011215043 [1,1,0,0,0,0|2,0,0]=4 10946 B9R0.18 C[C@H](CCCO)CNCF 34a_100160569302_100015361967 [1,1,0,0,0,0|2,0,0]=4 10947 B9R0.18 [13CH3]N(CCCO)CCCO 2230a_100000212923_200025704644 [1,1,0,0,0,0|2,0,0]=4 10948 B9R0.18 [13CH3]N(CCCO)CCCO 269982a_100000212923_200025704644 [1,1,0,0,0,0|2,0,0]=4 10949 B9R0.18 [13CH3]N(CCCO)CCCO 34a_100000212923_200025704644 [1,1,0,0,0,0|2,0,0]=4 10950 B9R0.46 CC(CF)OCCCCO 34a_100016041109_100011216708 [1,1,0,0,0,0|2,0,0]=4 10951 B9R0.46 CC(CF)OCCCCO 7a_100016041109_100000210776 [1,1,0,0,0,0|2,0,0]=4 10952 B9R0.46 CC(CN)COCCCO 34a_100000744482_100000230001 [1,1,0,0,0,0|2,0,0]=4 10953 B9R0.46 CC(CN)OCCCCO 34a_100000210904_100011216708 [1,1,0,0,0,0|2,0,0]=4 10954 B9R0.46 CC(CO)CCNCCF 2230a_106354213184_100011217306 [1,1,0,0,0,0|2,0,0]=4 10955 B9R0.46 CC(CO)CCNCCF 34a_106354213184_100011217306 [1,1,0,0,0,0|2,0,0]=4 10956 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [1,1,0,0,0,0|2,0,0]=4 10957 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [1,1,0,0,0,0|2,0,0]=4 10958 B9R0.46 CC(CO)CNCCCF 34a_100000744482_100011934791 [1,1,0,0,0,0|2,0,0]=4 10959 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [1,1,0,0,0,0|2,0,0]=4 10960 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [1,1,0,0,0,0|2,0,0]=4 10961 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [1,1,0,0,0,0|2,0,0]=4 10962 B9R0.46 CC(CO)OCCCCBr 34a_100011216708_100012180447 [1,1,0,0,0,0|2,0,0]=4 10963 B9R0.46 CC(CO)OCCCCCl 34a_100000210776_100012180447 [1,1,0,0,0,0|2,0,0]=4 10964 B9R0.46 CC(CO)OCCCCCl 7a_100000210776_100012180447 [1,1,0,0,0,0|2,0,0]=4 10965 B9R0.46 CC(CO)OCCCCF 34a_100011995726_100012180447 [1,1,0,0,0,0|2,0,0]=4 10966 B9R0.46 CC(CO)OCCCCF 7a_100011995726_100012180447 [1,1,0,0,0,0|2,0,0]=4 10967 B9R0.46 CC(CO)OCCCCI 34a_200012148704_100012180447 [1,1,0,0,0,0|2,0,0]=4 10968 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [1,1,0,0,0,0|2,0,0]=4 10969 B9R0.46 CC(CO)SCCCCF 62a_100012180447_100000729493 [1,1,0,0,0,0|2,0,0]=4 10970 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [1,1,0,0,0,0|2,0,0]=4 10971 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,1,0,0,0,0|1,0,1]=4 10972 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,1,0,0,0,0|0,0,1]=3 10973 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,1,0,0,0,0|0,0,1]=3 10974 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,1,0,0,0,0|1,0,1]=4 10975 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,1,0,0,0,0|1,0,1]=4 10976 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,1,0,0,0,0|1,0,1]=4 10977 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [1,1,0,0,0,0|1,0,1]=4 10978 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [1,1,0,0,0,0|1,0,1]=4 10979 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [1,1,0,0,0,0|1,0,1]=4 10980 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,1,0,0,0,0|1,0,1]=4 10981 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,1,0,0,0,0|1,0,1]=4 10982 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [1,1,0,0,0,0|2,0,0]=4 10983 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [1,1,0,0,0,0|2,0,0]=4 10984 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [1,1,0,0,0,0|1,0,0]=3 10985 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [1,1,0,0,0,0|2,0,0]=4 10986 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [1,1,0,0,0,0|2,0,0]=4 10987 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [1,1,0,0,0,0|2,0,0]=4 10988 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [1,1,0,0,0,0|1,0,0]=3 10989 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [1,1,0,0,0,0|2,0,0]=4 10990 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [1,1,0,0,0,0|2,0,0]=4 10991 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [1,1,0,0,0,0|2,0,0]=4 10992 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [1,1,0,0,0,0|2,0,0]=4 10993 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [1,1,0,0,0,0|1,0,0]=3 10994 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [1,1,0,0,0,0|1,0,0]=3 10995 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [1,1,0,0,0,0|2,0,0]=4 10996 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [1,1,0,0,0,0|2,0,0]=4 10997 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [1,1,0,0,0,0|2,0,0]=4 10998 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [1,1,0,0,0,0|2,0,0]=4 10999 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [1,1,0,0,0,0|2,0,0]=4 11000 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [1,1,0,0,0,0|2,0,0]=4 11001 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [1,1,0,0,0,0|2,0,0]=4 11002 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [1,1,0,0,0,0|2,0,0]=4 11003 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [1,1,0,0,0,0|2,0,0]=4 11004 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [1,1,0,0,0,0|2,0,0]=4 11005 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [1,1,0,0,0,0|2,0,0]=4 11006 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [1,1,0,0,0,0|2,0,0]=4 11007 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [1,1,0,0,0,0|2,0,0]=4 11008 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [1,1,0,0,0,0|2,0,0]=4 11009 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [1,1,0,0,0,0|2,0,0]=4 11010 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [1,1,0,0,0,0|1,0,0]=3 11011 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [1,1,0,0,0,0|1,0,0]=3 11012 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [1,1,0,0,0,0|2,0,0]=4 11013 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [1,1,0,0,0,0|2,0,0]=4 11014 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [1,1,0,0,0,0|2,0,0]=4 11015 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [1,1,0,0,0,0|2,0,0]=4 11016 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [1,1,0,0,0,0|2,0,0]=4 11017 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [1,1,0,0,0,0|1,0,0]=3 11018 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [1,1,0,0,0,0|1,0,0]=3 11019 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [1,1,0,0,0,0|1,0,0]=3 11020 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [1,1,0,0,0,0|2,0,0]=4 11021 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [1,1,0,0,0,0|2,0,0]=4 11022 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [1,1,0,0,0,0|2,0,0]=4 11023 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [1,1,0,0,0,0|2,0,0]=4 11024 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [1,1,0,0,0,0|2,0,0]=4 11025 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [1,1,0,0,0,0|2,0,0]=4 11026 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [1,1,0,0,0,0|2,0,0]=4 11027 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [1,1,0,0,0,0|2,0,0]=4 11028 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [1,1,0,0,0,0|2,0,0]=4 11029 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [1,1,0,0,0,0|2,0,0]=4 11030 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [1,1,0,0,0,0|2,0,0]=4 11031 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [1,1,0,0,0,0|1,0,0]=3 11032 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [1,1,0,0,0,0|2,0,0]=4 11033 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [1,1,0,0,0,0|2,0,0]=4 11034 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [1,1,0,0,0,0|2,0,0]=4 11035 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [1,1,0,0,0,0|2,0,0]=4 11036 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [1,1,0,0,0,0|2,0,0]=4 11037 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [1,1,0,0,0,0|2,0,0]=4 11038 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [1,1,0,0,0,0|2,0,0]=4 11039 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [1,1,0,0,0,0|1,0,0]=3 11040 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [1,1,0,0,0,0|1,0,0]=3 11041 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [1,1,0,0,0,0|2,0,0]=4 11042 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [1,1,0,0,0,0|2,0,0]=4 11043 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [1,1,0,0,0,0|2,0,0]=4 11044 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [1,1,0,0,0,0|2,0,0]=4 11045 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [1,1,0,0,0,0|2,0,0]=4 11046 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [1,1,0,0,0,0|1,0,0]=3 11047 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [1,1,0,0,0,0|2,0,0]=4 11048 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [1,1,0,0,0,0|2,0,0]=4 11049 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [1,1,0,0,0,0|2,0,0]=4 11050 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [1,1,0,0,0,0|2,0,0]=4 11051 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [1,1,0,0,0,0|2,0,0]=4 11052 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [1,1,0,0,0,0|2,0,0]=4 11053 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [1,1,0,0,0,0|2,0,0]=4 11054 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [1,1,0,0,0,0|2,0,0]=4 11055 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [1,1,0,0,0,0|2,0,0]=4 11056 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [1,1,0,0,0,0|2,0,0]=4 11057 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [1,1,0,0,0,0|2,0,0]=4 11058 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [1,1,0,0,0,0|2,0,0]=4 11059 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [1,1,0,0,0,0|2,0,0]=4 11060 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [1,1,0,0,0,0|1,0,0]=3 11061 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [1,1,0,0,0,0|1,0,0]=3 11062 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [1,1,0,0,0,0|2,0,0]=4 11063 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [1,1,0,0,0,0|2,0,0]=4 11064 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [1,1,0,0,0,0|2,0,0]=4 11065 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [1,1,0,0,0,0|2,0,0]=4 11066 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,1,0,0,0,0|0,0,1]=3 11067 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,1,0,0,0,0|0,0,1]=3 11068 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,1,0,0,0,0|1,0,1]=4 11069 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,1,0,0,0,0|0,0,1]=3 11070 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,1,0,0,0,0|1,0,1]=4 11071 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 11072 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 11073 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 11074 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,1,0,0,0,0|1,0,0]=3 11075 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,1,0,0,0,0|1,0,0]=3 11076 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,1,0,0,0,0|1,0,0]=3 11077 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,1,0,0,0,0|1,0,0]=3 11078 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,1,0,0,0,0|1,0,0]=3 11079 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,1,0,0,0,0|1,0,0]=3 11080 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,1,0,0,0,0|1,0,0]=3 11081 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,1,0,0,0,0|1,0,0]=3 11082 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [1,1,0,0,0,0|1,0,0]=3 11083 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [1,1,0,0,0,0|1,0,0]=3 11084 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [1,1,0,0,0,0|1,0,0]=3 11085 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [1,1,0,0,0,0|1,0,0]=3 11086 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [1,1,0,0,0,0|1,0,0]=3 11087 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [1,1,0,0,0,0|1,0,0]=3 11088 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [1,1,0,0,0,0|1,0,0]=3 11089 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [1,1,0,0,0,0|1,0,0]=3 11090 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [1,1,0,0,0,0|1,0,0]=3 11091 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [1,1,0,0,0,0|1,0,0]=3 11092 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [1,1,0,0,0,0|1,0,0]=3 11093 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [1,1,0,0,0,0|1,0,0]=3 11094 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [1,1,0,0,0,0|1,0,0]=3 11095 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [1,1,0,0,0,0|2,0,0]=4 11096 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 11097 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 11098 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 11099 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 11100 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,1,0,0,0,0|1,0,1]=4 11101 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,1,0,0,0,0|1,0,1]=4 11102 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [1,1,0,0,0,0|1,0,0]=3 11103 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [1,1,0,0,0,0|1,0,0]=3 11104 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [1,1,0,0,0,0|1,0,0]=3 11105 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [1,1,0,0,0,0|1,0,0]=3 11106 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,1,0,0,0,0|1,0,0]=3 11107 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,1,0,0,0,0|1,0,0]=3 11108 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,1,0,0,0,0|1,0,0]=3 11109 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [1,1,0,0,0,0|2,0,0]=4 11110 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [1,1,0,0,0,0|2,0,0]=4 11111 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [1,1,0,0,0,0|2,0,0]=4 11112 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [1,1,0,0,0,0|1,0,0]=3 11113 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [1,1,0,0,0,0|1,0,0]=3 11114 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [1,1,0,0,0,0|1,0,0]=3 11115 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [1,1,0,0,0,0|1,0,0]=3 11116 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [1,1,0,0,0,0|1,0,0]=3 11117 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [1,1,0,0,0,0|2,0,0]=4 11118 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [1,1,0,0,0,0|2,0,0]=4 11119 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [1,1,0,0,0,0|1,0,0]=3 11120 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [1,1,0,0,0,0|1,0,0]=3 11121 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,1,0,0,0,0|1,0,1]=4 11122 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [1,1,0,0,0,0|1,0,0]=3 11123 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [1,1,0,0,0,0|1,0,0]=3 11124 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [1,1,0,0,0,0|1,0,0]=3 11125 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [1,1,0,0,0,0|1,0,0]=3 11126 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [1,1,0,0,0,0|1,0,0]=3 11127 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [1,1,0,0,0,0|1,0,0]=3 11128 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [1,1,0,0,0,0|1,0,0]=3 11129 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [1,1,0,0,0,0|1,0,0]=3 11130 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [1,1,0,0,0,0|1,0,0]=3 11131 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [1,1,0,0,0,0|1,0,0]=3 11132 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [1,1,0,0,0,0|1,0,0]=3 11133 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [1,1,0,0,0,0|1,0,0]=3 11134 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [1,1,0,0,0,0|1,0,0]=3 11135 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [1,1,0,0,0,0|1,0,0]=3 11136 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [1,1,0,0,0,0|2,0,0]=4 11137 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [1,1,0,0,0,0|1,0,0]=3 11138 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [1,1,0,0,0,0|2,0,0]=4 11139 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [1,1,0,0,0,0|2,0,0]=4 11140 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [1,1,0,0,0,0|1,0,0]=3 11141 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [1,1,0,0,0,0|1,0,0]=3 11142 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [1,1,0,0,0,0|1,0,0]=3 11143 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,1,0,0,0,0|1,0,1]=4 11144 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,1,0,0,0,0|1,0,1]=4 11145 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,1,0,0,0,0|1,0,1]=4 11146 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,1,0,0,0,0|1,0,1]=4 11147 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [1,1,0,0,0,0|1,0,1]=4 11148 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [1,1,0,0,0,0|1,0,0]=3 11149 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [1,1,0,0,0,0|1,0,0]=3 11150 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [1,1,0,0,0,0|2,0,0]=4 11151 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [1,1,0,0,0,0|2,0,0]=4 11152 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [1,1,0,0,0,0|2,0,0]=4 11153 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [1,1,0,0,0,0|2,0,0]=4 11154 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [1,1,0,0,0,0|2,0,0]=4 11155 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [1,1,0,0,0,0|2,0,0]=4 11156 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [1,1,0,0,0,0|2,0,0]=4 11157 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [1,1,0,0,0,0|1,0,0]=3 11158 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [1,1,0,0,0,0|1,0,0]=3 11159 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [1,1,0,0,0,0|1,0,0]=3 11160 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [1,1,0,0,0,0|1,0,0]=3 11161 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [1,1,0,0,0,0|2,0,0]=4 11162 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [1,1,0,0,0,0|2,0,0]=4 11163 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [1,1,0,0,0,0|1,0,0]=3 11164 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [1,1,0,0,0,0|1,0,0]=3 11165 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [1,1,0,0,0,0|1,0,0]=3 11166 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [1,1,0,0,0,0|1,0,0]=3 11167 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [1,1,0,0,0,0|1,0,0]=3 11168 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [1,1,0,0,0,0|2,0,0]=4 11169 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [1,1,0,0,0,0|2,0,0]=4 11170 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [1,1,0,0,0,0|1,0,0]=3 11171 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [1,1,0,0,0,0|1,0,0]=3 11172 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [1,1,0,0,0,0|2,0,0]=4 11173 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,1,0,0,0,0|1,0,1]=4 11174 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,1,0,0,0,0|1,0,1]=4 11175 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,1,0,0,0,0|1,0,1]=4 11176 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [1,1,0,0,0,0|1,0,0]=3 11177 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [1,1,0,0,0,0|1,0,0]=3 11178 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [1,1,0,0,0,0|1,0,0]=3 11179 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [1,1,0,0,0,0|1,0,0]=3 11180 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [1,1,0,0,0,0|1,0,0]=3 11181 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [1,1,0,0,0,0|1,0,0]=3 11182 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [1,1,0,0,0,0|1,0,0]=3 11183 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [1,1,0,0,0,0|1,0,0]=3 11184 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [1,1,0,0,0,0|1,0,0]=3 11185 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [1,1,0,0,0,0|1,0,0]=3 11186 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [1,1,0,0,0,0|2,0,0]=4 11187 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [1,1,0,0,0,0|2,0,0]=4 11188 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [1,1,0,0,0,0|1,0,0]=3 11189 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [1,1,0,0,0,0|1,0,0]=3 11190 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [1,1,0,0,0,0|1,0,0]=3 11191 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [1,1,0,0,0,0|1,0,0]=3 11192 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [1,1,0,0,0,0|1,0,0]=3 11193 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,1,0,0,0,0|1,0,1]=4 11194 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,1,0,0,0,0|1,0,1]=4 11195 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,1,0,0,0,0|1,0,0]=3 11196 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [1,1,0,0,0,0|2,0,0]=4 11197 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [1,1,0,0,0,0|2,0,0]=4 11198 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [1,1,0,0,0,0|2,0,0]=4 11199 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [1,1,0,0,0,0|2,0,0]=4 11200 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [1,1,0,0,0,0|2,0,0]=4 11201 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [1,1,0,0,0,0|1,0,0]=3 11202 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [1,1,0,0,0,0|1,0,0]=3 11203 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [1,1,0,0,0,0|1,0,0]=3 11204 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [1,1,0,0,0,0|1,0,0]=3 11205 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [1,1,0,0,0,0|2,0,0]=4 11206 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [1,1,0,0,0,0|2,0,0]=4 11207 B9R0.46 CCN(C)CCOCCO 2230a_100000225621_100011215305 [1,1,0,0,0,0|2,0,0]=4 11208 B9R0.46 CCN(C)CCOCCO 2230a_100000228057_100000210202 [1,1,0,0,0,0|2,0,0]=4 11209 B9R0.46 CCN(C)CCOCCO 269982a_100000225621_100011215305 [1,1,0,0,0,0|2,0,0]=4 11210 B9R0.46 CCN(C)CCOCCO 269982a_100000228057_100000204670 [1,1,0,0,0,0|2,0,0]=4 11211 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [1,1,0,0,0,0|2,0,0]=4 11212 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,1,0,0,0,0|1,0,1]=4 11213 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,1,0,0,0,0|1,0,1]=4 11214 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [1,1,0,0,0,0|1,0,0]=3 11215 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [1,1,0,0,0,0|2,0,0]=4 11216 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [1,1,0,0,0,0|2,0,0]=4 11217 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [1,1,0,0,0,0|2,0,0]=4 11218 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [1,1,0,0,0,0|2,0,0]=4 11219 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [1,1,0,0,0,0|2,0,0]=4 11220 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [1,1,0,0,0,0|2,0,0]=4 11221 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [1,1,0,0,0,0|2,0,0]=4 11222 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [1,1,0,0,0,0|2,0,0]=4 11223 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [1,1,0,0,0,0|2,0,0]=4 11224 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [1,1,0,0,0,0|2,0,0]=4 11225 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [1,1,0,0,0,0|2,0,0]=4 11226 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [1,1,0,0,0,0|2,0,0]=4 11227 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [1,1,0,0,0,0|2,0,0]=4 11228 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [1,1,0,0,0,0|2,0,0]=4 11229 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [1,1,0,0,0,0|2,0,0]=4 11230 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [1,1,0,0,0,0|2,0,0]=4 11231 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [1,1,0,0,0,0|2,0,0]=4 11232 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [1,1,0,0,0,0|2,0,0]=4 11233 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [1,1,0,0,0,0|2,0,0]=4 11234 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [1,1,0,0,0,0|2,0,0]=4 11235 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [1,1,0,0,0,0|2,0,0]=4 11236 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [1,1,0,0,0,0|2,0,0]=4 11237 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [1,1,0,0,0,0|2,0,0]=4 11238 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [1,1,0,0,0,0|2,0,0]=4 11239 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [1,1,0,0,0,0|2,0,0]=4 11240 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [1,1,0,0,0,0|2,0,0]=4 11241 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [1,1,0,0,0,0|2,0,0]=4 11242 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [1,1,0,0,0,0|2,0,0]=4 11243 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [1,1,0,0,0,0|2,0,0]=4 11244 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [1,1,0,0,0,0|2,0,0]=4 11245 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [1,1,0,0,0,0|2,0,0]=4 11246 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [1,1,0,0,0,0|2,0,0]=4 11247 B9R0.46 CCSCCNC(C)CC 2230a_100000106463_100000758301 [1,1,0,0,0,0|2,0,0]=4 11248 B9R0.46 CCSCCNC(C)CC 2230a_100000209981_100000757381 [1,1,0,0,0,0|2,0,0]=4 11249 B9R0.46 CCSCCNC(C)CO 2230a_100000106463_100012180447 [1,1,0,0,0,0|2,0,0]=4 11250 B9R0.46 CCSCCN[C@H](C)CO 2230a_100000737577_100000757381 [1,1,0,0,0,0|2,0,0]=4 11251 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [1,1,0,0,0,0|2,0,0]=4 11252 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [1,1,0,0,0,0|2,0,0]=4 11253 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [1,1,0,0,0,0|2,0,0]=4 11254 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [1,1,0,0,0,0|2,0,0]=4 11255 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [1,1,0,0,0,0|2,0,0]=4 11256 B9R0.46 CCSCCSC(C)CC 62a_100000757381_100000758301 [1,1,0,0,0,0|2,0,0]=4 11257 B9R0.46 CCSCCSC(C)CC 62a_100000758301_100000757381 [1,1,0,0,0,0|2,0,0]=4 11258 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [1,1,0,0,0,0|2,0,0]=4 11259 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [1,1,0,0,0,0|2,0,0]=4 11260 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [1,1,0,0,0,0|2,0,0]=4 11261 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [1,1,0,0,0,0|2,0,0]=4 11262 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [1,1,0,0,0,0|2,0,0]=4 11263 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [1,1,0,0,0,0|2,0,0]=4 11264 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [1,1,0,0,0,0|2,0,0]=4 11265 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [1,1,0,0,0,0|2,0,0]=4 11266 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [1,1,0,0,0,0|2,0,0]=4 11267 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [1,1,0,0,0,0|2,0,0]=4 11268 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [1,1,0,0,0,0|2,0,0]=4 11269 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [1,1,0,0,0,0|2,0,0]=4 11270 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [1,1,0,0,0,0|1,0,0]=3 11271 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [1,1,0,0,0,0|2,0,0]=4 11272 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [1,1,0,0,0,0|2,0,0]=4 11273 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [1,1,0,0,0,0|2,0,0]=4 11274 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [1,1,0,0,0,0|2,0,0]=4 11275 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [1,1,0,0,0,0|2,0,0]=4 11276 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [1,1,0,0,0,0|2,0,0]=4 11277 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [1,1,0,0,0,0|2,0,0]=4 11278 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [1,1,0,0,0,0|1,0,0]=3 11279 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [1,1,0,0,0,0|1,0,0]=3 11280 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [1,1,0,0,0,0|2,0,0]=4 11281 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [1,1,0,0,0,0|2,0,0]=4 11282 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [1,1,0,0,0,0|2,0,0]=4 11283 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [1,1,0,0,0,0|2,0,0]=4 11284 B9R0.46 CN(CF)CCCCCO 269982a_100000722520_100015361967 [1,1,0,0,0,0|2,0,0]=4 11285 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [1,1,0,0,0,0|1,0,1]=4 11286 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [1,1,0,0,0,0|2,0,0]=4 11287 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [1,1,0,0,0,0|2,0,0]=4 11288 B9R0.46 COC(C)COCCCO 34a_100000690652_100000230001 [1,1,0,0,0,0|2,0,0]=4 11289 B9R0.46 COC(C)SCCCCO 62a_100000210776_100009879195 [1,1,0,0,0,0|2,0,0]=4 11290 B9R0.46 COC(C)SCCCCO 62a_100009879195_100000210776 [1,1,0,0,0,0|2,0,0]=4 11291 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [1,1,0,0,0,0|1,0,1]=4 11292 B9R0.46 COCCCNC(C)CO 34a_100150723488_100012180447 [1,1,0,0,0,0|2,0,0]=4 11293 B9R0.46 COCCCN[C@H](C)CO 2230a_100000737577_100000740836 [1,1,0,0,0,0|2,0,0]=4 11294 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [1,1,0,0,0,0|2,0,0]=4 11295 B9R0.46 COCCCSC(C)CO 62a_100012180447_100000709357 [1,1,0,0,0,0|2,0,0]=4 11296 B9R0.46 COCCCS[C@H](C)CO 62a_100000709357_100016084084 [1,1,0,0,0,0|2,0,0]=4 11297 B9R0.46 COCCCS[C@H](C)CO 62a_100016084084_100000709357 [1,1,0,0,0,0|2,0,0]=4 11298 B9R0.46 COCCNCC(C)CO 34a_100000744482_100011201679 [1,1,0,0,0,0|2,0,0]=4 11299 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [1,1,0,0,0,0|2,0,0]=4 11300 B9R0.46 COCCNC[C@@H](C)CO 2230a_100000209980_100000059175 [1,1,0,0,0,0|2,0,0]=4 11301 B9R0.46 COCCNC[C@@H](F)CO 34a_100015665980_100011201679 [1,1,0,0,0,0|2,0,0]=4 11302 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [1,1,0,0,0,0|2,0,0]=4 11303 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [1,1,0,0,0,0|2,0,0]=4 11304 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [1,1,0,0,0,0|2,0,0]=4 11305 B9R0.46 COCCOC[C@@H](C)CO 34a_100000210237_100000059175 [1,1,0,0,0,0|2,0,0]=4 11306 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [1,1,0,0,0,0|2,0,0]=4 11307 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [1,1,0,0,0,0|2,0,0]=4 11308 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [1,1,0,0,0,0|2,0,0]=4 11309 B9R0.46 COCCSC[C@@H](C)CO 62a_100000059175_100000233755 [1,1,0,0,0,0|2,0,0]=4 11310 B9R0.46 COCCSC[C@@H](C)CO 62a_100000233755_100000059175 [1,1,0,0,0,0|2,0,0]=4 11311 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [1,1,0,0,0,0|2,0,0]=4 11312 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [1,1,0,0,0,0|2,0,0]=4 11313 B9R0.46 COCNCCC(C)CO 2230a_106354213184_100000766300 [1,1,0,0,0,0|2,0,0]=4 11314 B9R0.46 CO[C@H](C)CNCCCO 2230a_100020591295_100000230001 [1,1,0,0,0,0|2,0,0]=4 11315 B9R0.46 CSCCCNC(C)CO 2230a_100000749238_100012180447 [1,1,0,0,0,0|2,0,0]=4 11316 B9R0.46 CSCCCOC(C)CO 34a_100000690336_100012180447 [1,1,0,0,0,0|2,0,0]=4 11317 B9R0.46 CSCCCOC(C)CO 7a_100000690336_100012180447 [1,1,0,0,0,0|2,0,0]=4 11318 B9R0.46 CSCCNCC(C)CO 34a_100000744482_100000212216 [1,1,0,0,0,0|2,0,0]=4 11319 B9R0.46 CSCCNCC(O)CO 2230a_100020590264_100011219619 [1,1,0,0,0,0|2,0,0]=4 11320 B9R0.46 CSCCNC[C@@H](C)CO 2230a_100020590264_100000059175 [1,1,0,0,0,0|2,0,0]=4 11321 B9R0.46 CSCCNC[C@@H](F)CO 34a_100015665980_100000212216 [1,1,0,0,0,0|2,0,0]=4 11322 B9R0.46 CSCCNC[C@@H](O)CO 2230a_100020590264_100009815848 [1,1,0,0,0,0|2,0,0]=4 11323 B9R0.46 CSCCNC[C@H](O)CO 2230a_100020644852_100000751147 [1,1,0,0,0,0|2,0,0]=4 11324 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [1,1,0,0,0,0|2,0,0]=4 11325 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [1,1,0,0,0,0|2,0,0]=4 11326 B9R0.46 CSCCOC[C@@H](C)CO 34a_100000230434_100000059175 [1,1,0,0,0,0|2,0,0]=4 11327 B9R0.46 CSCCOC[C@@H](C)CO 7a_100000230434_100000059175 [1,1,0,0,0,0|2,0,0]=4 11328 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [1,1,0,0,0,0|2,0,0]=4 11329 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [1,1,0,0,0,0|2,0,0]=4 11330 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [1,1,0,0,0,0|2,0,0]=4 11331 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [1,1,0,0,0,0|2,0,0]=4 11332 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000059175_100000751147 [1,1,0,0,0,0|2,0,0]=4 11333 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000212216_100000059175 [1,1,0,0,0,0|2,0,0]=4 11334 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [1,1,0,0,0,0|2,0,0]=4 11335 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [1,1,0,0,0,0|2,0,0]=4 11336 B9R0.46 CSCNCCC(C)CO 2230a_106354213184_100011218213 [1,1,0,0,0,0|2,0,0]=4 11337 B9R0.46 CSCNCCC(C)CO 34a_106354213184_100011218213 [1,1,0,0,0,0|2,0,0]=4 11338 B9R0.46 C[C@@H](CO)CNCCCF 2230a_100015189416_100000059175 [1,1,0,0,0,0|2,0,0]=4 11339 B9R0.46 C[C@@H](CO)CNCCCF 34a_100015189416_100000059175 [1,1,0,0,0,0|2,0,0]=4 11340 B9R0.46 C[C@@H](CO)COCCCBr 34a_100011217188_100000059175 [1,1,0,0,0,0|2,0,0]=4 11341 B9R0.46 C[C@@H](CO)COCCCCl 34a_100000230001_100000059175 [1,1,0,0,0,0|2,0,0]=4 11342 B9R0.46 C[C@@H](CO)COCCCF 34a_100000759539_100000059175 [1,1,0,0,0,0|2,0,0]=4 11343 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [1,1,0,0,0,0|2,0,0]=4 11344 B9R0.46 C[C@@H](CO)CSCCCF 62a_100000059175_100011934791 [1,1,0,0,0,0|2,0,0]=4 11345 B9R0.46 C[C@@H](CO)CSCCCF 62a_100011934791_100000059175 [1,1,0,0,0,0|2,0,0]=4 11346 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [1,1,0,0,0,0|2,0,0]=4 11347 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [1,1,0,0,0,0|2,0,0]=4 11348 B9R0.46 C[C@H](CO)NCCCCF 2230a_100000737577_100000729493 [1,1,0,0,0,0|2,0,0]=4 11349 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [1,1,0,0,0,0|2,0,0]=4 11350 B9R0.46 C[C@H](CO)SCCCCF 62a_100000729493_100016084084 [1,1,0,0,0,0|2,0,0]=4 11351 B9R0.46 C[C@H](CO)SCCCCF 62a_100016084084_100000729493 [1,1,0,0,0,0|2,0,0]=4 11352 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [1,1,0,0,0,0|2,0,0]=4 11353 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [1,1,0,0,0,0|2,0,0]=4 11354 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [1,1,0,0,0,0|2,0,0]=4 11355 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [1,1,0,0,0,0|2,0,0]=4 11356 B9R0.46 NC[C@@H](F)COCCCO 34a_100015665980_100000230001 [1,1,0,0,0,0|2,0,0]=4 11357 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [1,1,0,0,0,0|1,0,1]=4 11358 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [1,1,0,0,0,0|1,0,1]=4 11359 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [1,1,0,0,0,0|1,0,1]=4 11360 B9R0.46 OCC(O)CNCCCF 2230a_100015189416_100011219619 [1,1,0,0,0,0|2,0,0]=4 11361 B9R0.46 OCC(O)CNCCCF 34a_100015189416_100011219619 [1,1,0,0,0,0|2,0,0]=4 11362 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [1,1,0,0,0,0|2,0,0]=4 11363 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [1,1,0,0,0,0|2,0,0]=4 11364 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [1,1,0,0,0,0|2,0,0]=4 11365 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [1,1,0,0,0,0|2,0,0]=4 11366 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [1,1,0,0,0,0|2,0,0]=4 11367 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [1,1,0,0,0,0|2,0,0]=4 11368 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [1,1,0,0,0,0|2,0,0]=4 11369 B9R0.46 OCCCOCC(Cl)CCl 34a_100000033668_100000230001 [1,1,0,0,0,0|2,0,0]=4 11370 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [1,1,0,0,0,0|2,0,0]=4 11371 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [1,1,0,0,0,0|2,0,0]=4 11372 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [1,1,0,0,0,0|2,0,0]=4 11373 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [1,1,0,0,0,0|2,0,0]=4 11374 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [1,1,0,0,0,0|2,0,0]=4 11375 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [1,1,0,0,0,0|2,0,0]=4 11376 B9R0.46 OC[C@@H](O)CNCCCF 2230a_100020644852_100011934791 [1,1,0,0,0,0|2,0,0]=4 11377 B9R0.46 OC[C@H](F)CNCCCF 34a_100015665980_100011934791 [1,1,0,0,0,0|2,0,0]=4 11378 B9R0.46 OC[C@H](O)CNCCCF 2230a_100015189416_100009815848 [1,1,0,0,0,0|2,0,0]=4 11379 B9R0.46 OC[C@H](O)CNCCCF 34a_100015189416_100009815848 [1,1,0,0,0,0|2,0,0]=4 11380 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [1,1,0,0,0,0|2,0,0]=4 11381 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [1,1,0,0,0,0|2,0,0]=4 11382 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [1,1,0,0,0,0|2,0,0]=4 11383 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [1,1,0,0,0,0|2,0,0]=4 11384 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [1,1,0,0,0,0|2,0,0]=4 11385 B11R0.2 C=C(C)CC(=O)CCCCCO 1458a_100102619762_100000748629 [0,2,0,0,0,0|0,0,2]=4 11386 B11R0.2 C=C(C)CN(C)CCCCCO 2230a_100000225649_100000746330 [0,2,0,0,0,0|1,0,1]=4 11387 B11R0.2 C=C(C)CN(C)CCCCCO 2230a_100000722520_100000748629 [0,2,0,0,0,0|1,0,1]=4 11388 B11R0.2 C=C(C)CN(C)CCCCCO 269982a_100000225649_100000746330 [0,2,0,0,0,0|1,0,1]=4 11389 B11R0.2 C=C(C)CN(C)CCCCCO 269982a_100000722520_100000748629 [0,2,0,0,0,0|1,0,1]=4 11390 B11R0.2 CC(C)CC(=O)CCCCCF 1458a_100000210554_100000729378 [0,2,0,0,0,0|1,0,1]=4 11391 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100000210554_100000746330 [0,2,0,0,0,0|0,0,1]=3 11392 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100102619762_100000210624 [0,2,0,0,0,0|0,0,1]=3 11393 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100000210554_100011215305 [0,2,0,0,0,0|1,0,1]=4 11394 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100011229844_100000210624 [0,2,0,0,0,0|1,0,1]=4 11395 B11R0.2 CC(C)CC(=O)NCCCCO 240690a_100000750430_100000210554 [0,2,0,0,0,0|1,0,1]=4 11396 B11R0.2 CC(C)CC(=O)NCCCCO 527a_100000750430_100000210554 [0,2,0,0,0,0|1,0,1]=4 11397 B11R0.2 CC(C)CC(C)NCCCCF 2230a_100000692259_100000729493 [0,2,0,0,0,0|2,0,0]=4 11398 B11R0.2 CC(C)CC(C)NCCCCO 2230a_100000692259_100000210776 [0,2,0,0,0,0|1,0,0]=3 11399 B11R0.2 CC(C)CC(C)NCCCCO 2230a_100000750430_100000731052 [0,2,0,0,0,0|1,0,0]=3 11400 B11R0.2 CC(C)CC(C)NCCCCO 34a_100000750430_100000731052 [0,2,0,0,0,0|1,0,0]=3 11401 B11R0.2 CC(C)CC(C)OCCCCBr 34a_100011216708_100000731052 [0,2,0,0,0,0|2,0,0]=4 11402 B11R0.2 CC(C)CC(C)OCCCCCl 34a_100000210776_100000731052 [0,2,0,0,0,0|2,0,0]=4 11403 B11R0.2 CC(C)CC(C)OCCCCCl 7a_100000210776_100000731052 [0,2,0,0,0,0|2,0,0]=4 11404 B11R0.2 CC(C)CC(C)OCCCCF 34a_100000211805_100000729493 [0,2,0,0,0,0|2,0,0]=4 11405 B11R0.2 CC(C)CC(C)OCCCCF 34a_100011995726_100000731052 [0,2,0,0,0,0|2,0,0]=4 11406 B11R0.2 CC(C)CC(C)OCCCCF 7a_100000211805_100000729493 [0,2,0,0,0,0|2,0,0]=4 11407 B11R0.2 CC(C)CC(C)OCCCCF 7a_100011995726_100000731052 [0,2,0,0,0,0|2,0,0]=4 11408 B11R0.2 CC(C)CC(C)OCCCCI 34a_200012148704_100000731052 [0,2,0,0,0,0|2,0,0]=4 11409 B11R0.2 CC(C)CC(C)OCCCCN 34a_100000750430_100000731052 [0,2,0,0,0,0|2,0,0]=4 11410 B11R0.2 CC(C)CC(C)OCCCCO 34a_100000211805_100011216708 [0,2,0,0,0,0|1,0,0]=3 11411 B11R0.2 CC(C)CC(C)OCCCCO 7a_100000211805_100000210776 [0,2,0,0,0,0|1,0,0]=3 11412 B11R0.2 CC(C)CC(C)SCCCCF 62a_100000729493_100000731052 [0,2,0,0,0,0|2,0,0]=4 11413 B11R0.2 CC(C)CC(C)SCCCCF 62a_100000731052_100000729493 [0,2,0,0,0,0|2,0,0]=4 11414 B11R0.2 CC(C)CC(C)SCCCCO 62a_100000210776_100000731052 [0,2,0,0,0,0|1,0,0]=3 11415 B11R0.2 CC(C)CC(C)SCCCCO 62a_100000731052_100000210776 [0,2,0,0,0,0|1,0,0]=3 11416 B11R0.2 CC(C)CN(C)CCCCCF 2230a_100000747067_100000729378 [0,2,0,0,0,0|2,0,0]=4 11417 B11R0.2 CC(C)CN(C)CCCCCF 269982a_100000747067_100000729378 [0,2,0,0,0,0|2,0,0]=4 11418 B11R0.2 CC(C)CN(C)CCCCCO 2230a_100000722520_100000210760 [0,2,0,0,0,0|1,0,0]=3 11419 B11R0.2 CC(C)CN(C)CCCCCO 2230a_100000747067_100000746330 [0,2,0,0,0,0|1,0,0]=3 11420 B11R0.2 CC(C)CN(C)CCCCCO 269982a_100000722520_100000210624 [0,2,0,0,0,0|1,0,0]=3 11421 B11R0.2 CC(C)CN(C)CCCCCO 269982a_100000747067_100000746330 [0,2,0,0,0,0|1,0,0]=3 11422 B11R0.2 CC(C)CN(C)CCCCCO 270004a_100000722520_100000210432 [0,2,0,0,0,0|1,0,0]=3 11423 B11R0.2 CC(C)CN(C)CCOCCO 2230a_100000228057_100000210760 [0,2,0,0,0,0|2,0,0]=4 11424 B11R0.2 CC(C)CN(C)CCOCCO 2230a_100000747067_100011215305 [0,2,0,0,0,0|2,0,0]=4 11425 B11R0.2 CC(C)CN(C)CCOCCO 269982a_100000228057_100000210624 [0,2,0,0,0,0|2,0,0]=4 11426 B11R0.2 CC(C)CN(C)CCOCCO 269982a_100000747067_100011215305 [0,2,0,0,0,0|2,0,0]=4 11427 B11R0.2 CC(C)CN(C)CCOCCO 270004a_100000228057_100000210432 [0,2,0,0,0,0|2,0,0]=4 11428 B11R0.2 CC(C)C[C@H](N)CCOCCF 34a_100161151251_100011217306 [0,2,0,0,0,0|2,0,0]=4 11429 B11R0.2 CC(C)C[C@H](N)CCOCCO 34a_100161151251_100000211926 [0,2,0,0,0,0|1,0,0]=3 11430 B11R0.2 CC(C)C[C@H](N)COCCCF 34a_100011830311_100011934791 [0,2,0,0,0,0|2,0,0]=4 11431 B11R0.2 CC(C)C[C@H](N)COCCCO 34a_100011830311_100000230001 [0,2,0,0,0,0|1,0,0]=3 11432 B11R0.2 CC(C)NC(=O)CCCCCO 240690a_100138425928_100102619762 [0,2,0,0,0,0|1,0,1]=4 11433 B11R0.2 CC(CN(C)C)SCCCCO 62a_100000210776_100020606517 [0,2,0,0,0,0|2,0,0]=4 11434 B11R0.2 CC(CN(C)C)SCCCCO 62a_100020606517_100000210776 [0,2,0,0,0,0|2,0,0]=4 11435 B11R0.2 CC(CSCCCO)CN(C)C 62a_100011215043_100015348159 [0,2,0,0,0,0|2,0,0]=4 11436 B11R0.2 CC(CSCCCO)CN(C)C 62a_100015348159_100011215043 [0,2,0,0,0,0|2,0,0]=4 11437 B11R0.2 CC(O)CC(=O)CCCCCO 1458a_100102619762_100011218427 [0,2,0,0,0,0|0,0,1]=3 11438 B11R0.2 CC(O)CC(=O)CCOCCO 1458a_100011229844_100011218427 [0,2,0,0,0,0|1,0,1]=4 11439 B11R0.2 CC(O)CN(C)CCCCCF 2230a_100000227577_100000729378 [0,2,0,0,0,0|2,0,0]=4 11440 B11R0.2 CC(O)CN(C)CCCCCF 269982a_100000227577_100000729378 [0,2,0,0,0,0|2,0,0]=4 11441 B11R0.2 CC(O)CN(C)CCCCCO 2230a_100000227577_100000746330 [0,2,0,0,0,0|1,0,0]=3 11442 B11R0.2 CC(O)CN(C)CCCCCO 2230a_100000722520_100011218427 [0,2,0,0,0,0|1,0,0]=3 11443 B11R0.2 CC(O)CN(C)CCCCCO 269982a_100000227577_100000746330 [0,2,0,0,0,0|1,0,0]=3 11444 B11R0.2 CC(O)CN(C)CCCCCO 269982a_100000722520_100011218427 [0,2,0,0,0,0|1,0,0]=3 11445 B11R0.2 CC(O)CN(C)CCOCCO 2230a_100000227577_100011215305 [0,2,0,0,0,0|2,0,0]=4 11446 B11R0.2 CC(O)CN(C)CCOCCO 2230a_100000228057_100011218427 [0,2,0,0,0,0|2,0,0]=4 11447 B11R0.2 CC(O)CN(C)CCOCCO 269982a_100000227577_100011215305 [0,2,0,0,0,0|2,0,0]=4 11448 B11R0.2 CC(O)CN(C)CCOCCO 269982a_100000228057_100011218427 [0,2,0,0,0,0|2,0,0]=4 11449 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [0,2,0,0,0,0|1,0,1]=4 11450 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [0,2,0,0,0,0|1,0,1]=4 11451 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,2,0,0,0,0|0,0,1]=3 11452 B11R0.2 CCCCCCC(=O)CC(F)F 1458a_100102632555_100011934356 [0,2,0,0,0,0|1,0,1]=4 11453 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,2,0,0,0,0|0,0,1]=3 11454 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100000210919_100000210206 [0,2,0,0,0,0|2,0,0]=4 11455 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100138425928_100011215978 [0,2,0,0,0,0|2,0,0]=4 11456 B11R0.2 CCCCCCC(C)NC(C)C 34a_100000210919_100000210206 [0,2,0,0,0,0|2,0,0]=4 11457 B11R0.2 CCCCCCC(C)NC(C)C 34a_100138425928_100011215978 [0,2,0,0,0,0|2,0,0]=4 11458 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000210265_100000210206 [0,2,0,0,0,0|2,0,0]=4 11459 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000212225_100011215978 [0,2,0,0,0,0|2,0,0]=4 11460 B11R0.2 CCCCCCC(C)OC(C)C 7a_100000210265_100000210206 [0,2,0,0,0,0|2,0,0]=4 11461 B11R0.2 CCCCCCC(C)SC(C)C 62a_100000210206_100011215978 [0,2,0,0,0,0|2,0,0]=4 11462 B11R0.2 CCCCCCC(C)SC(C)C 62a_100011215978_100000210206 [0,2,0,0,0,0|2,0,0]=4 11463 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [0,2,0,0,0,0|1,0,1]=4 11464 B11R0.2 CCCCCCN(C)CC(C)C 2230a_100000747067_100000210314 [0,2,0,0,0,0|2,0,0]=4 11465 B11R0.2 CCCCCCN(C)CC(C)C 2230a_106256046315_100000210760 [0,2,0,0,0,0|2,0,0]=4 11466 B11R0.2 CCCCCCN(C)CC(C)C 269982a_100000747067_100000210757 [0,2,0,0,0,0|2,0,0]=4 11467 B11R0.2 CCCCCCN(C)CC(C)C 269982a_106256046315_100000210624 [0,2,0,0,0,0|2,0,0]=4 11468 B11R0.2 CCCCCCN(C)CC(C)C 270004a_106256046315_100000210432 [0,2,0,0,0,0|2,0,0]=4 11469 B11R0.2 CCCCCCN(C)CC(C)O 2230a_100000227577_100000210314 [0,2,0,0,0,0|1,0,0]=3 11470 B11R0.2 CCCCCCN(C)CC(C)O 2230a_106256046315_100011218427 [0,2,0,0,0,0|1,0,0]=3 11471 B11R0.2 CCCCCCN(C)CC(C)O 269982a_100000227577_100000210757 [0,2,0,0,0,0|1,0,0]=3 11472 B11R0.2 CCCCCCN(C)CC(C)O 269982a_106256046315_100011218427 [0,2,0,0,0,0|1,0,0]=3 11473 B11R0.2 CCCCCCN(C)CC(F)F 2230a_106256046315_100011934356 [0,2,0,0,0,0|2,0,0]=4 11474 B11R0.2 CCCCCCN(C)CC(F)F 269982a_106256046315_100011934356 [0,2,0,0,0,0|2,0,0]=4 11475 B11R0.2 CCCCCCN(C)C[C@@H](C)O 2230a_106256046315_100009817552 [0,2,0,0,0,0|1,0,0]=3 11476 B11R0.2 CCCCCCN(C)C[C@@H](C)O 269982a_106256046315_100009817552 [0,2,0,0,0,0|1,0,0]=3 11477 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [0,2,0,0,0,0|1,0,1]=4 11478 B11R0.2 CCCCCNC(C)CC(C)C 2230a_100000209983_100000731052 [0,2,0,0,0,0|2,0,0]=4 11479 B11R0.2 CCCCCNC(C)CC(C)C 2230a_100000692259_100000210326 [0,2,0,0,0,0|2,0,0]=4 11480 B11R0.2 CCCCCOC(C)CC(C)C 34a_100000210253_100000731052 [0,2,0,0,0,0|2,0,0]=4 11481 B11R0.2 CCCCCOC(C)CC(C)C 34a_100000211805_100000718602 [0,2,0,0,0,0|2,0,0]=4 11482 B11R0.2 CCCCCOC(C)CC(C)C 7a_100000210253_100000731052 [0,2,0,0,0,0|2,0,0]=4 11483 B11R0.2 CCCCCOC(C)CC(C)C 7a_100000211805_100000210326 [0,2,0,0,0,0|2,0,0]=4 11484 B11R0.2 CCCCCSC(C)CC(C)C 62a_100000210326_100000731052 [0,2,0,0,0,0|2,0,0]=4 11485 B11R0.2 CCCCCSC(C)CC(C)C 62a_100000731052_100000210326 [0,2,0,0,0,0|2,0,0]=4 11486 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [0,2,0,0,0,0|1,0,1]=4 11487 B11R0.2 CCCCOCC(=O)CC(C)O 1458a_100000757543_100011218427 [0,2,0,0,0,0|1,0,1]=4 11488 B11R0.2 CCCCOCC(=O)C[C@@H](C)O 1458a_100011933948_100011995733 [0,2,0,0,0,0|1,0,1]=4 11489 B11R0.2 CCCCOCN(C)CC(C)O 2230a_100000227577_100011995733 [0,2,0,0,0,0|2,0,0]=4 11490 B11R0.2 CCCCOCN(C)CC(C)O 269982a_100000227577_100011995733 [0,2,0,0,0,0|2,0,0]=4 11491 B11R0.2 CCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210210 [0,2,0,0,0,0|2,0,0]=4 11492 B11R0.2 CCCCSCC(=O)CC(C)O 1458a_100000191162_100011218427 [0,2,0,0,0,0|1,0,1]=4 11493 B11R0.2 CCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215938 [0,2,0,0,0,0|1,0,1]=4 11494 B11R0.2 CCCOCCN(C)CC(C)O 2230a_100000227577_100011215938 [0,2,0,0,0,0|2,0,0]=4 11495 B11R0.2 CCCOCCN(C)CC(C)O 269982a_100000227577_100011215938 [0,2,0,0,0,0|2,0,0]=4 11496 B11R0.2 CCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210303 [0,2,0,0,0,0|2,0,0]=4 11497 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [0,2,0,0,0,0|1,0,1]=4 11498 B11R0.2 CCOCCCN(C)CC(C)O 2230a_100000227577_100012232248 [0,2,0,0,0,0|2,0,0]=4 11499 B11R0.2 CCOCCCN(C)CC(C)O 269982a_100000227577_100012232248 [0,2,0,0,0,0|2,0,0]=4 11500 B11R0.2 CN(C)CC(=O)CCCCCO 1458a_100000750896_100000746330 [0,2,0,0,0,0|1,0,1]=4 11501 B11R0.2 CN(CCCCCO)CC(F)F 2230a_100000722520_100011934356 [0,2,0,0,0,0|2,0,0]=4 11502 B11R0.2 CN(CCCCCO)CC(F)F 269982a_100000722520_100011934356 [0,2,0,0,0,0|2,0,0]=4 11503 B11R0.2 COCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000755781 [0,2,0,0,0,0|1,0,1]=4 11504 B11R0.2 COCCCCN(C)CC(C)O 2230a_100000227577_100000730899 [0,2,0,0,0,0|2,0,0]=4 11505 B11R0.2 COCCCCN(C)CC(C)O 269982a_100000227577_100000730899 [0,2,0,0,0,0|2,0,0]=4 11506 B11R0.2 C[C@@H](O)CC(=O)CCCCCF 1458a_100011933948_100000729378 [0,2,0,0,0,0|1,0,1]=4 11507 B11R0.2 C[C@@H](O)CC(=O)CCCCCO 1458a_100011933948_100000746330 [0,2,0,0,0,0|0,0,1]=3 11508 B11R0.2 C[C@@H](O)CC(=O)CCOCCO 1458a_100011933948_100011215305 [0,2,0,0,0,0|1,0,1]=4 11509 B11R0.2 C[C@@H](O)CC(=O)NCCCCO 240690a_100000750430_100011933948 [0,2,0,0,0,0|1,0,1]=4 11510 B11R0.2 C[C@@H](O)CN(C)CCCCCO 2230a_100000722520_100009817552 [0,2,0,0,0,0|1,0,0]=3 11511 B11R0.2 C[C@@H](O)CN(C)CCCCCO 269982a_100000722520_100009817552 [0,2,0,0,0,0|1,0,0]=3 11512 B11R0.2 C[C@@H](O)CN(C)CCOCCO 2230a_100000228057_100009817552 [0,2,0,0,0,0|2,0,0]=4 11513 B11R0.2 C[C@@H](O)CN(C)CCOCCO 269982a_100000228057_100009817552 [0,2,0,0,0,0|2,0,0]=4 11514 B11R0.2 C[S+](C)CC(=O)CCCCCO 1458a_200159257847_100000746330 [0,2,0,0,0,0|1,0,1]=4 11515 B11R0.2 O=C(CCCCCO)CC(F)F 1458a_100102619762_100011934356 [0,2,0,0,0,0|1,0,1]=4 11516 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,2,0,0,0,0|1,0,1]=4 11517 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,2,0,0,0,0|1,0,1]=4 11518 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011220946_100000766143 [0,2,0,0,0,0|0,0,2]=4 11519 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011996774_100000184674 [0,2,0,0,0,0|0,0,2]=4 11520 B11R0.4 C#CCC(C)OCCCCCC 34a_100000685586_100000210314 [0,2,0,0,0,0|1,0,1]=4 11521 B11R0.4 C#CCC(C)OCCCCCC 7a_100000685586_100000210314 [0,2,0,0,0,0|1,0,1]=4 11522 B11R0.4 C#CCC(C)OCCCCCO 34a_100000685586_100000746330 [0,2,0,0,0,0|0,0,2]=4 11523 B11R0.4 C#CCC(C)OCCCCCO 7a_100000685586_100000746330 [0,2,0,0,0,0|0,0,2]=4 11524 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,2,0,0,0,0|1,0,1]=4 11525 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,2,0,0,0,0|1,0,1]=4 11526 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100000694772_100000211926 [0,2,0,0,0,0|0,0,2]=4 11527 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100011216618_100012094781 [0,2,0,0,0,0|0,0,2]=4 11528 B11R0.4 C#CCCCCCN(C)CCC 2230a_100000747261_100012094781 [0,2,0,0,0,0|1,0,1]=4 11529 B11R0.4 C#CCCCCCN(C)CCC 269982a_100000747261_100012094781 [0,2,0,0,0,0|1,0,1]=4 11530 B11R0.4 C#CCCCCCN(C)CCO 2230a_100000210263_100012094781 [0,2,0,0,0,0|0,0,2]=4 11531 B11R0.4 C#CCCCCCN(C)CCO 269982a_100000210263_100012094781 [0,2,0,0,0,0|0,0,2]=4 11532 B11R0.4 C#CCCCCNC(C)CCC 2230a_100000706060_100000766640 [0,2,0,0,0,0|1,0,1]=4 11533 B11R0.4 C#CCCCCNC(C)CCC 2230a_100000741246_100010269958 [0,2,0,0,0,0|1,0,1]=4 11534 B11R0.4 C#CCCCCNC(C)CCC 34a_100000706060_100000766640 [0,2,0,0,0,0|1,0,1]=4 11535 B11R0.4 C#CCCCCNC(C)CCO 2230a_100000706060_100009893172 [0,2,0,0,0,0|0,0,2]=4 11536 B11R0.4 C#CCCCCNC(C)CCO 34a_100000706060_100009893172 [0,2,0,0,0,0|0,0,2]=4 11537 B11R0.4 C#CCCCCN[C@H](C)CCO 2230a_100000706166_100010269958 [0,2,0,0,0,0|0,0,2]=4 11538 B11R0.4 C#CCCCCN[C@H](C)CCO 34a_100000706166_100010269958 [0,2,0,0,0,0|0,0,2]=4 11539 B11R0.4 C#CCCCCOC(C)CCC 34a_100000764384_100010269958 [0,2,0,0,0,0|1,0,1]=4 11540 B11R0.4 C#CCCCCOC(C)CCC 34a_100000766709_100000766640 [0,2,0,0,0,0|1,0,1]=4 11541 B11R0.4 C#CCCCCOC(C)CCC 7a_100000764384_100010269958 [0,2,0,0,0,0|1,0,1]=4 11542 B11R0.4 C#CCCCCOC(C)CCC 7a_100000766709_100000766640 [0,2,0,0,0,0|1,0,1]=4 11543 B11R0.4 C#CCCCCOC(C)CCO 34a_100000766709_100009893172 [0,2,0,0,0,0|0,0,2]=4 11544 B11R0.4 C#CCCCCOC(C)CCO 7a_100000766709_100009893172 [0,2,0,0,0,0|0,0,2]=4 11545 B11R0.4 C#CCCCCSC(C)CCC 62a_100000766640_100010269958 [0,2,0,0,0,0|1,0,1]=4 11546 B11R0.4 C#CCCCCSC(C)CCC 62a_100010269958_100000766640 [0,2,0,0,0,0|1,0,1]=4 11547 B11R0.4 C#CCCCCSC(C)CCO 62a_100009893172_100010269958 [0,2,0,0,0,0|0,0,2]=4 11548 B11R0.4 C#CCCCCSC(C)CCO 62a_100010269958_100009893172 [0,2,0,0,0,0|0,0,2]=4 11549 B11R0.4 C#CCCCNCC(C)CCC 270004a_100000718082_100000243154 [0,2,0,0,0,0|1,0,1]=4 11550 B11R0.4 C#CCCCNCC(C)CCC 34a_100000718082_100011216630 [0,2,0,0,0,0|1,0,1]=4 11551 B11R0.4 C#CCCCOCC(C)CCC 34a_100000215630_100011216630 [0,2,0,0,0,0|1,0,1]=4 11552 B11R0.4 C#CCCCOCC(C)CCC 34a_100000688023_100000695029 [0,2,0,0,0,0|1,0,1]=4 11553 B11R0.4 C#CCCCOCC(C)CCC 7a_100000215630_100011216630 [0,2,0,0,0,0|1,0,1]=4 11554 B11R0.4 C#CCCCOCC(C)CCC 7a_100000688023_100011215417 [0,2,0,0,0,0|1,0,1]=4 11555 B11R0.4 C#CCCCOC[C@@H](N)CCC 34a_100000732646_100000695029 [0,2,0,0,0,0|1,0,1]=4 11556 B11R0.4 C#CCCCSCC(C)CCC 62a_100011215417_100011216630 [0,2,0,0,0,0|1,0,1]=4 11557 B11R0.4 C#CCCCSCC(C)CCC 62a_100011216630_100011215417 [0,2,0,0,0,0|1,0,1]=4 11558 B11R0.4 C#CCCOCCC(C)CCC 34a_100011217855_100000688953 [0,2,0,0,0,0|1,0,1]=4 11559 B11R0.4 C#CCCOCCC(C)CCC 7a_100011217855_100000688953 [0,2,0,0,0,0|1,0,1]=4 11560 B11R0.4 C#CCCOCC[C@@H](N)CCC 34a_100015193777_100000688953 [0,2,0,0,0,0|1,0,1]=4 11561 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000225692_100000210681 [0,2,0,0,0,0|1,0,1]=4 11562 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000228206_100000038162 [0,2,0,0,0,0|1,0,1]=4 11563 B11R0.4 C#CCN(C)CCCCCCC 34a_100000225692_100000210614 [0,2,0,0,0,0|1,0,1]=4 11564 B11R0.4 C#CCN(C)CCCCCCO 2230a_100000225692_100000766143 [0,2,0,0,0,0|0,0,2]=4 11565 B11R0.4 C#CCN(C)CCCCCCO 34a_100000225692_100000766143 [0,2,0,0,0,0|0,0,2]=4 11566 B11R0.4 C#CCOCCCC(C)CCC 34a_100011713154_100000184674 [0,2,0,0,0,0|1,0,1]=4 11567 B11R0.4 C#CCOCCCC(C)CCC 7a_100011713154_100000038162 [0,2,0,0,0,0|1,0,1]=4 11568 B11R0.4 C/C=C/C(C)OCCCCCO 34a_200102604097_100000746330 [0,2,0,0,0,0|0,0,2]=4 11569 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,2,0,0,0,0|1,0,1]=4 11570 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,2,0,0,0,0|1,0,1]=4 11571 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,2,0,0,0,0|0,0,2]=4 11572 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,2,0,0,0,0|0,0,2]=4 11573 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [0,2,0,0,0,0|1,0,1]=4 11574 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [0,2,0,0,0,0|1,0,1]=4 11575 B11R0.4 C=CCC(C)COCCCCO 34a_100009832082_100011216708 [0,2,0,0,0,0|0,0,2]=4 11576 B11R0.4 C=CCC(C)COCCCCO 7a_100009832082_100000210776 [0,2,0,0,0,0|0,0,2]=4 11577 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,2,0,0,0,0|1,0,1]=4 11578 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,2,0,0,0,0|1,0,1]=4 11579 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,2,0,0,0,0|0,0,2]=4 11580 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,2,0,0,0,0|0,0,2]=4 11581 B11R0.4 C=CCCCCCN(C)CCC 2230a_100000747261_100000700193 [0,2,0,0,0,0|1,0,1]=4 11582 B11R0.4 C=CCCCCCN(C)CCC 269982a_100000747261_100000700193 [0,2,0,0,0,0|1,0,1]=4 11583 B11R0.4 C=CCCCCCN(C)CCO 2230a_100000210263_100000700193 [0,2,0,0,0,0|0,0,2]=4 11584 B11R0.4 C=CCCCCCN(C)CCO 269982a_100000210263_100000700193 [0,2,0,0,0,0|0,0,2]=4 11585 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000703577_100000766640 [0,2,0,0,0,0|1,0,1]=4 11586 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000741246_100011215482 [0,2,0,0,0,0|1,0,1]=4 11587 B11R0.4 C=CCCCCNC(C)CCC 270004a_100000703577_100000211909 [0,2,0,0,0,0|1,0,1]=4 11588 B11R0.4 C=CCCCCNC(C)CCC 34a_100000703577_100000766640 [0,2,0,0,0,0|1,0,1]=4 11589 B11R0.4 C=CCCCCNC(C)CCO 2230a_100000703577_100009893172 [0,2,0,0,0,0|0,0,2]=4 11590 B11R0.4 C=CCCCCNC(C)CCO 34a_100000703577_100009893172 [0,2,0,0,0,0|0,0,2]=4 11591 B11R0.4 C=CCCCCN[C@H](C)CCO 2230a_100000706166_100011215482 [0,2,0,0,0,0|0,0,2]=4 11592 B11R0.4 C=CCCCCN[C@H](C)CCO 34a_100000706166_100011215482 [0,2,0,0,0,0|0,0,2]=4 11593 B11R0.4 C=CCCCCOC(C)CCC 34a_100000764384_100011215482 [0,2,0,0,0,0|1,0,1]=4 11594 B11R0.4 C=CCCCCOC(C)CCC 34a_100000766645_100000766640 [0,2,0,0,0,0|1,0,1]=4 11595 B11R0.4 C=CCCCCOC(C)CCC 7a_100000764384_100011215482 [0,2,0,0,0,0|1,0,1]=4 11596 B11R0.4 C=CCCCCOC(C)CCC 7a_100000766645_100000766640 [0,2,0,0,0,0|1,0,1]=4 11597 B11R0.4 C=CCCCCOC(C)CCO 34a_100000766645_100009893172 [0,2,0,0,0,0|0,0,2]=4 11598 B11R0.4 C=CCCCCOC(C)CCO 7a_100000766645_100009893172 [0,2,0,0,0,0|0,0,2]=4 11599 B11R0.4 C=CCCCCSC(C)CCC 62a_100000766640_100011215482 [0,2,0,0,0,0|1,0,1]=4 11600 B11R0.4 C=CCCCCSC(C)CCC 62a_100011215482_100000766640 [0,2,0,0,0,0|1,0,1]=4 11601 B11R0.4 C=CCCCCSC(C)CCO 62a_100009893172_100011215482 [0,2,0,0,0,0|0,0,2]=4 11602 B11R0.4 C=CCCCCSC(C)CCO 62a_100011215482_100009893172 [0,2,0,0,0,0|0,0,2]=4 11603 B11R0.4 C=CCCCNCC(C)CCC 2230a_100000700776_100011216630 [0,2,0,0,0,0|1,0,1]=4 11604 B11R0.4 C=CCCCNCC(C)CCC 270004a_100000700776_100000243154 [0,2,0,0,0,0|1,0,1]=4 11605 B11R0.4 C=CCCCNCC(C)CCC 34a_100000700776_100011216630 [0,2,0,0,0,0|1,0,1]=4 11606 B11R0.4 C=CCCCOCC(C)CCC 34a_100000688023_100000757094 [0,2,0,0,0,0|1,0,1]=4 11607 B11R0.4 C=CCCCOCC(C)CCC 34a_100000758997_100011216630 [0,2,0,0,0,0|1,0,1]=4 11608 B11R0.4 C=CCCCOCC(C)CCC 7a_100000688023_100000757094 [0,2,0,0,0,0|1,0,1]=4 11609 B11R0.4 C=CCCCOCC(C)CCC 7a_100000758997_100011216630 [0,2,0,0,0,0|1,0,1]=4 11610 B11R0.4 C=CCCCOC[C@@H](N)CCC 34a_100000732646_100000757094 [0,2,0,0,0,0|1,0,1]=4 11611 B11R0.4 C=CCCCSCC(C)CCC 62a_100011216630_100000757094 [0,2,0,0,0,0|1,0,1]=4 11612 B11R0.4 C=CCCCSCC(C)CCC 62a_100011713584_100011216630 [0,2,0,0,0,0|1,0,1]=4 11613 B11R0.4 C=CCCOCCC(C)CCC 34a_100011217855_100000754431 [0,2,0,0,0,0|1,0,1]=4 11614 B11R0.4 C=CCCOCCC(C)CCC 7a_100011217855_100000754431 [0,2,0,0,0,0|1,0,1]=4 11615 B11R0.4 C=CCCOCC[C@@H](N)CCC 34a_100015193777_100000754431 [0,2,0,0,0,0|1,0,1]=4 11616 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [0,2,0,0,0,0|1,0,1]=4 11617 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [0,2,0,0,0,0|1,0,1]=4 11618 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [0,2,0,0,0,0|1,0,1]=4 11619 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [0,2,0,0,0,0|1,0,1]=4 11620 B11R0.4 C=CCN(C)CCCCCCO 2230a_100000225617_100000766143 [0,2,0,0,0,0|0,0,2]=4 11621 B11R0.4 C=CCN(C)CCCCCCO 269982a_100000225617_100000766143 [0,2,0,0,0,0|0,0,2]=4 11622 B11R0.4 C=CCOCCCC(C)CCC 34a_100011713154_100015514636 [0,2,0,0,0,0|1,0,1]=4 11623 B11R0.4 C=CCOCCCC(C)CCC 7a_100011713154_100015514636 [0,2,0,0,0,0|1,0,1]=4 11624 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [0,2,0,0,0,0|1,0,1]=4 11625 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [0,2,0,0,0,0|1,0,1]=4 11626 B11R0.4 C=CC[C@@H](C)OCCCCCO 34a_100000731007_100000746330 [0,2,0,0,0,0|0,0,2]=4 11627 B11R0.4 C=CC[C@@H](C)OCCCCCO 7a_100000731007_100000746330 [0,2,0,0,0,0|0,0,2]=4 11628 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [0,2,0,0,0,0|1,0,1]=4 11629 B11R0.4 C=CC[C@@H](N)COCCCCO 34a_100020615467_100011216708 [0,2,0,0,0,0|0,0,2]=4 11630 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [0,2,0,0,0,0|0,0,2]=4 11631 B11R0.4 CC#CC(C)OCCCCCO 34a_100011216543_100000746330 [0,2,0,0,0,0|0,0,2]=4 11632 B11R0.4 CC(CC#N)NCCCCCO 2230a_100000762737_100009813641 [0,2,0,0,0,0|1,0,1]=4 11633 B11R0.4 CC(CC#N)SCCCCCO 62a_100000746330_100009813641 [0,2,0,0,0,0|1,0,1]=4 11634 B11R0.4 CC(CC#N)SCCCCCO 62a_100009813641_100000746330 [0,2,0,0,0,0|1,0,1]=4 11635 B11R0.4 CC(CCBr)OCCCCCF 34a_100012276601_100000729378 [0,2,0,0,0,0|2,0,0]=4 11636 B11R0.4 CC(CCBr)OCCCCCO 34a_100012276601_100000746330 [0,2,0,0,0,0|1,0,0]=3 11637 B11R0.4 CC(CCBr)OCCOCCO 34a_100012276601_100000692535 [0,2,0,0,0,0|2,0,0]=4 11638 B11R0.4 CC(CCN)COCCCCF 34a_106354213184_100000729493 [0,2,0,0,0,0|2,0,0]=4 11639 B11R0.4 CC(CCN)COCCCCO 34a_106354213184_100011216708 [0,2,0,0,0,0|1,0,0]=3 11640 B11R0.4 CC(CCO)NCCCCCO 2230a_100000762737_100009893172 [0,2,0,0,0,0|1,0,0]=3 11641 B11R0.4 CC(CCO)NCCCCCO 34a_100000762737_100009893172 [0,2,0,0,0,0|1,0,0]=3 11642 B11R0.4 CC(CCO)NCCOCCO 2230a_100000211614_100009893172 [0,2,0,0,0,0|2,0,0]=4 11643 B11R0.4 CC(CCO)NCCOCCO 34a_100000211614_100009893172 [0,2,0,0,0,0|2,0,0]=4 11644 B11R0.4 CC(CCO)NCCSCCO 2230a_100011219999_100009893172 [0,2,0,0,0,0|2,0,0]=4 11645 B11R0.4 CC(CCO)OCCCCCBr 34a_100000746331_100009893172 [0,2,0,0,0,0|1,0,0]=3 11646 B11R0.4 CC(CCO)OCCCCCBr 7a_100000746331_100009893172 [0,2,0,0,0,0|1,0,0]=3 11647 B11R0.4 CC(CCO)OCCCCCCl 34a_100000746330_100009893172 [0,2,0,0,0,0|1,0,0]=3 11648 B11R0.4 CC(CCO)OCCCCCCl 7a_100000746330_100009893172 [0,2,0,0,0,0|1,0,0]=3 11649 B11R0.4 CC(CCO)OCCCCCI 34a_200012148887_100009893172 [0,2,0,0,0,0|1,0,0]=3 11650 B11R0.4 CC(CCO)OCCCCCI 7a_200012148887_100009893172 [0,2,0,0,0,0|1,0,0]=3 11651 B11R0.4 CC(CCO)OCCCCCN 34a_100000762737_100009893172 [0,2,0,0,0,0|1,0,0]=3 11652 B11R0.4 CC(CCO)OCCOCCBr 34a_100000692535_100009893172 [0,2,0,0,0,0|2,0,0]=4 11653 B11R0.4 CC(CCO)OCCOCCBr 7a_100000692535_100009893172 [0,2,0,0,0,0|2,0,0]=4 11654 B11R0.4 CC(CCO)OCCOCCCl 34a_100011215305_100009893172 [0,2,0,0,0,0|2,0,0]=4 11655 B11R0.4 CC(CCO)OCCOCCCl 7a_100011215305_100009893172 [0,2,0,0,0,0|2,0,0]=4 11656 B11R0.4 CC(CCO)OCCOCCF 34a_200015357709_100009893172 [0,2,0,0,0,0|2,0,0]=4 11657 B11R0.4 CC(CCO)OCCOCCF 7a_200015357709_100009893172 [0,2,0,0,0,0|2,0,0]=4 11658 B11R0.4 CC(CCO)OCCOCCI 34a_100012149058_100009893172 [0,2,0,0,0,0|2,0,0]=4 11659 B11R0.4 CC(CCO)OCCOCCI 7a_100012149058_100009893172 [0,2,0,0,0,0|2,0,0]=4 11660 B11R0.4 CC(CCO)OCCOCCN 34a_100000211614_100009893172 [0,2,0,0,0,0|2,0,0]=4 11661 B11R0.4 CC(CCO)SCCCCC#N 62a_100009893172_100000211819 [0,2,0,0,0,0|1,0,1]=4 11662 B11R0.4 CC(CCO)SCCCCC#N 62a_100011219923_100009893172 [0,2,0,0,0,0|1,0,1]=4 11663 B11R0.4 CC(CCO)SCCCCC=O 62a_100000139335_100009893172 [0,2,0,0,0,0|1,0,1]=4 11664 B11R0.4 CC(CCO)SCCCCC=O 62a_100009893172_100000139335 [0,2,0,0,0,0|1,0,1]=4 11665 B11R0.4 CC(CCO)SCCCCCF 62a_100000729378_100009893172 [0,2,0,0,0,0|1,0,0]=3 11666 B11R0.4 CC(CCO)SCCCCCF 62a_100009893172_100000729378 [0,2,0,0,0,0|1,0,0]=3 11667 B11R0.4 CC(CCO)SCCCCCO 62a_100000746330_100009893172 [0,2,0,0,0,0|1,0,0]=3 11668 B11R0.4 CC(CCO)SCCCCCO 62a_100009893172_100000746330 [0,2,0,0,0,0|1,0,0]=3 11669 B11R0.4 CC(CCO)SCCOCCO 62a_100009893172_100011215305 [0,2,0,0,0,0|2,0,0]=4 11670 B11R0.4 CC(CCO)SCCOCCO 62a_100011215305_100009893172 [0,2,0,0,0,0|2,0,0]=4 11671 B11R0.4 CC/C=C\CCN[C@H](C)CCO 2230a_100000706166_100015370543 [0,2,0,0,0,0|0,0,2]=4 11672 B11R0.4 CC/C=C\CCN[C@H](C)CCO 34a_100000706166_100015370543 [0,2,0,0,0,0|0,0,2]=4 11673 B11R0.4 CC/C=C\CCOC(C)CCO 34a_100016288707_100009893172 [0,2,0,0,0,0|0,0,2]=4 11674 B11R0.4 CC/C=C\CCOC(C)CCO 7a_100016288707_100009893172 [0,2,0,0,0,0|0,0,2]=4 11675 B11R0.4 CC/C=C\CCSC(C)CCO 62a_100009893172_100015370543 [0,2,0,0,0,0|0,0,2]=4 11676 B11R0.4 CC/C=C\CCSC(C)CCO 62a_100015370543_100009893172 [0,2,0,0,0,0|0,0,2]=4 11677 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,2,0,0,0,0|0,0,2]=4 11678 B11R0.4 CC=CCCCOC(C)CCO 34a_100020645299_100009893172 [0,2,0,0,0,0|0,0,2]=4 11679 B11R0.4 CCC#CCCOC(C)CCO 34a_100000036655_100009893172 [0,2,0,0,0,0|0,0,2]=4 11680 B11R0.4 CCC#CCCOC(C)CCO 7a_100000036655_100009893172 [0,2,0,0,0,0|0,0,2]=4 11681 B11R0.4 CCC/C=C/COC(C)CCO 34a_100016278788_100009893172 [0,2,0,0,0,0|0,0,2]=4 11682 B11R0.4 CCC/C=C/COC(C)CCO 7a_100016278788_100009893172 [0,2,0,0,0,0|0,0,2]=4 11683 B11R0.4 CCCC#CCOC(C)CCO 34a_100000034806_100009893172 [0,2,0,0,0,0|0,0,2]=4 11684 B11R0.4 CCCC#CCOC(C)CCO 7a_100000034806_100009893172 [0,2,0,0,0,0|0,0,2]=4 11685 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,2,0,0,0,0|1,0,1]=4 11686 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,2,0,0,0,0|1,0,0]=3 11687 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,2,0,0,0,0|0,0,0]=2 11688 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,2,0,0,0,0|0,0,0]=2 11689 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,2,0,0,0,0|0,0,1]=3 11690 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [0,2,0,0,0,0|1,0,1]=4 11691 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [0,2,0,0,0,0|1,0,1]=4 11692 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,2,0,0,0,0|0,0,1]=3 11693 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [0,2,0,0,0,0|1,0,1]=4 11694 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [0,2,0,0,0,0|1,0,1]=4 11695 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [0,2,0,0,0,0|1,0,1]=4 11696 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [0,2,0,0,0,0|1,0,1]=4 11697 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,2,0,0,0,0|0,0,1]=3 11698 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,2,0,0,0,0|0,0,1]=3 11699 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [0,2,0,0,0,0|1,0,1]=4 11700 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [0,2,0,0,0,0|1,0,1]=4 11701 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,2,0,0,0,0|0,0,1]=3 11702 B11R0.4 CCCC(=O)NCCOCCO 240690a_100000211614_100000211992 [0,2,0,0,0,0|1,0,1]=4 11703 B11R0.4 CCCC(=O)NCCSCCO 240690a_100011219999_100000211992 [0,2,0,0,0,0|1,0,1]=4 11704 B11R0.4 CCCC(=O)NCCSCCO 527a_100011219999_100000211992 [0,2,0,0,0,0|1,0,1]=4 11705 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [0,2,0,0,0,0|1,0,1]=4 11706 B11R0.4 CCCC(C)CCCOCC#N 7a_100011713154_100011215382 [0,2,0,0,0,0|1,0,1]=4 11707 B11R0.4 CCCC(C)CCCOCC=O 34a_100011713154_200009817547 [0,2,0,0,0,0|0,0,2]=4 11708 B11R0.4 CCCC(C)CCCOCC=O 7a_100011713154_200015260668 [0,2,0,0,0,0|0,0,2]=4 11709 B11R0.4 CCCC(C)CCCOCCF 34a_100011713154_100011217306 [0,2,0,0,0,0|1,0,0]=3 11710 B11R0.4 CCCC(C)CCCOCCF 7a_100011713154_100011217306 [0,2,0,0,0,0|1,0,0]=3 11711 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [0,2,0,0,0,0|0,0,0]=2 11712 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [0,2,0,0,0,0|0,0,0]=2 11713 B11R0.4 CCCC(C)CCCOCSC 34a_100011713154_100011218213 [0,2,0,0,0,0|1,1,0]=4 11714 B11R0.4 CCCC(C)CCOCCC#N 7a_100011217855_100000184422 [0,2,0,0,0,0|1,0,1]=4 11715 B11R0.4 CCCC(C)CCOCCCF 34a_100011217855_100011934791 [0,2,0,0,0,0|1,0,0]=3 11716 B11R0.4 CCCC(C)CCOCCCF 7a_100011217855_100011934791 [0,2,0,0,0,0|1,0,0]=3 11717 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [0,2,0,0,0,0|0,0,0]=2 11718 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [0,2,0,0,0,0|0,0,0]=2 11719 B11R0.4 CCCC(C)CCOCCOC 34a_100011217855_100011201679 [0,2,0,0,0,0|1,0,0]=3 11720 B11R0.4 CCCC(C)CCOCCOC 7a_100011217855_100000233755 [0,2,0,0,0,0|1,0,0]=3 11721 B11R0.4 CCCC(C)CCOCCSC 34a_100011217855_100000212216 [0,2,0,0,0,0|1,1,0]=4 11722 B11R0.4 CCCC(C)CCOCCSC 7a_100011217855_100000212216 [0,2,0,0,0,0|1,1,0]=4 11723 B11R0.4 CCCC(C)CNCCCCO 2230a_100000750430_100011216630 [0,2,0,0,0,0|0,0,0]=2 11724 B11R0.4 CCCC(C)CNCCCCO 270004a_100000750430_100000243154 [0,2,0,0,0,0|0,0,0]=2 11725 B11R0.4 CCCC(C)CNCCCCO 34a_100000750430_100011216630 [0,2,0,0,0,0|0,0,0]=2 11726 B11R0.4 CCCC(C)CNCCCOC 270004a_100150723488_100000243154 [0,2,0,0,0,0|1,0,0]=3 11727 B11R0.4 CCCC(C)CNCCCOC 34a_100150723488_100011216630 [0,2,0,0,0,0|1,0,0]=3 11728 B11R0.4 CCCC(C)CNCCCSC 2230a_100000749238_100011216630 [0,2,0,0,0,0|1,1,0]=4 11729 B11R0.4 CCCC(C)CNCCCSC 270004a_100000749238_100000243154 [0,2,0,0,0,0|1,1,0]=4 11730 B11R0.4 CCCC(C)CNCCOCC 2230a_102516460346_100011216630 [0,2,0,0,0,0|2,0,0]=4 11731 B11R0.4 CCCC(C)CNCCOCC 270004a_102516460346_100000243154 [0,2,0,0,0,0|2,0,0]=4 11732 B11R0.4 CCCC(C)CNCCOCC 34a_102516460346_100011216630 [0,2,0,0,0,0|2,0,0]=4 11733 B11R0.4 CCCC(C)CNCCSCC 2230a_100000106463_100011216630 [0,2,0,0,0,0|2,0,0]=4 11734 B11R0.4 CCCC(C)CNCCSCC 270004a_100000106463_100000243154 [0,2,0,0,0,0|2,0,0]=4 11735 B11R0.4 CCCC(C)COCC#CCO 34a_100000688023_200000047223 [0,2,0,0,0,0|0,0,2]=4 11736 B11R0.4 CCCC(C)COCC#CCO 7a_100000688023_200000047223 [0,2,0,0,0,0|0,0,2]=4 11737 B11R0.4 CCCC(C)COCCCC#N 7a_100000688023_100000687738 [0,2,0,0,0,0|1,0,1]=4 11738 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [0,2,0,0,0,0|0,0,2]=4 11739 B11R0.4 CCCC(C)COCCCCBr 34a_100011216708_100011216630 [0,2,0,0,0,0|1,0,0]=3 11740 B11R0.4 CCCC(C)COCCCCCl 34a_100000210776_100011216630 [0,2,0,0,0,0|1,0,0]=3 11741 B11R0.4 CCCC(C)COCCCCCl 7a_100000210776_100011216630 [0,2,0,0,0,0|1,0,0]=3 11742 B11R0.4 CCCC(C)COCCCCF 34a_100000688023_100000729493 [0,2,0,0,0,0|1,0,0]=3 11743 B11R0.4 CCCC(C)COCCCCF 34a_100011995726_100011216630 [0,2,0,0,0,0|1,0,0]=3 11744 B11R0.4 CCCC(C)COCCCCF 7a_100000688023_100000729493 [0,2,0,0,0,0|1,0,0]=3 11745 B11R0.4 CCCC(C)COCCCCF 7a_100011995726_100011216630 [0,2,0,0,0,0|1,0,0]=3 11746 B11R0.4 CCCC(C)COCCCCI 34a_200012148704_100011216630 [0,2,0,0,0,0|1,0,0]=3 11747 B11R0.4 CCCC(C)COCCCCN 34a_100000750430_100011216630 [0,2,0,0,0,0|1,0,0]=3 11748 B11R0.4 CCCC(C)COCCCCO 34a_100000688023_100011216708 [0,2,0,0,0,0|0,0,0]=2 11749 B11R0.4 CCCC(C)COCCCCO 7a_100000688023_100000210776 [0,2,0,0,0,0|0,0,0]=2 11750 B11R0.4 CCCC(C)COCCCNC 34a_100000213112_100011216630 [0,2,0,0,0,0|2,0,0]=4 11751 B11R0.4 CCCC(C)COCCCOC 34a_100000688023_100000740836 [0,2,0,0,0,0|1,0,0]=3 11752 B11R0.4 CCCC(C)COCCCOC 34a_100000740835_100011216630 [0,2,0,0,0,0|1,0,0]=3 11753 B11R0.4 CCCC(C)COCCCOC 7a_100000688023_100000740836 [0,2,0,0,0,0|1,0,0]=3 11754 B11R0.4 CCCC(C)COCCCSC 34a_100000690336_100011216630 [0,2,0,0,0,0|1,1,0]=4 11755 B11R0.4 CCCC(C)COCCCSC 7a_100000690336_100011216630 [0,2,0,0,0,0|1,1,0]=4 11756 B11R0.4 CCCC(C)COCCOCC 34a_100000210136_100011216630 [0,2,0,0,0,0|2,0,0]=4 11757 B11R0.4 CCCC(C)COCCOCC 34a_100000688023_100000210147 [0,2,0,0,0,0|2,0,0]=4 11758 B11R0.4 CCCC(C)COCCOCC 7a_100000210136_100011216630 [0,2,0,0,0,0|2,0,0]=4 11759 B11R0.4 CCCC(C)COCCOCC 7a_100000688023_100011215890 [0,2,0,0,0,0|2,0,0]=4 11760 B11R0.4 CCCC(C)COCCSCC 34a_100000212035_100011216630 [0,2,0,0,0,0|2,0,0]=4 11761 B11R0.4 CCCC(C)COCCSCC 34a_100000688023_100000757381 [0,2,0,0,0,0|2,0,0]=4 11762 B11R0.4 CCCC(C)COCCSCC 7a_100000212035_100011216630 [0,2,0,0,0,0|2,0,0]=4 11763 B11R0.4 CCCC(C)COCCSCC 7a_100000688023_100000757381 [0,2,0,0,0,0|2,0,0]=4 11764 B11R0.4 CCCC(C)CSCC#CCO 62a_100011216630_200000047223 [0,2,0,0,0,0|0,0,2]=4 11765 B11R0.4 CCCC(C)CSCC#CCO 62a_200000047223_100011216630 [0,2,0,0,0,0|0,0,2]=4 11766 B11R0.4 CCCC(C)CSCCCC#N 62a_100000687738_100011216630 [0,2,0,0,0,0|1,0,1]=4 11767 B11R0.4 CCCC(C)CSCCCC#N 62a_100011216630_100000687738 [0,2,0,0,0,0|1,0,1]=4 11768 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [0,2,0,0,0,0|0,0,2]=4 11769 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [0,2,0,0,0,0|0,0,2]=4 11770 B11R0.4 CCCC(C)CSCCCCF 62a_100000729493_100011216630 [0,2,0,0,0,0|1,0,0]=3 11771 B11R0.4 CCCC(C)CSCCCCF 62a_100011216630_100000729493 [0,2,0,0,0,0|1,0,0]=3 11772 B11R0.4 CCCC(C)CSCCCCO 62a_100000210776_100011216630 [0,2,0,0,0,0|0,0,0]=2 11773 B11R0.4 CCCC(C)CSCCCCO 62a_100011216630_100000210776 [0,2,0,0,0,0|0,0,0]=2 11774 B11R0.4 CCCC(C)CSCCCOC 62a_100000709357_100011216630 [0,2,0,0,0,0|1,0,0]=3 11775 B11R0.4 CCCC(C)CSCCCOC 62a_100011216630_100000709357 [0,2,0,0,0,0|1,0,0]=3 11776 B11R0.4 CCCC(C)CSCCOCC 62a_100000210147_100011216630 [0,2,0,0,0,0|2,0,0]=4 11777 B11R0.4 CCCC(C)CSCCOCC 62a_100011216630_100011215890 [0,2,0,0,0,0|2,0,0]=4 11778 B11R0.4 CCCC(C)CSCCSCC 62a_100000757381_100011216630 [0,2,0,0,0,0|2,0,0]=4 11779 B11R0.4 CCCC(C)CSCCSCC 62a_100011216630_100000757381 [0,2,0,0,0,0|2,0,0]=4 11780 B11R0.4 CCCC(C)NCCCCC#N 2230a_100000741246_100000211819 [0,2,0,0,0,0|1,0,1]=4 11781 B11R0.4 CCCC(C)NCCCCC#N 270004a_100000751965_100000211909 [0,2,0,0,0,0|1,0,1]=4 11782 B11R0.4 CCCC(C)NCCCCC=O 2230a_100000741246_100000139335 [0,2,0,0,0,0|0,0,2]=4 11783 B11R0.4 CCCC(C)NCCCCCF 2230a_100000741246_100000729378 [0,2,0,0,0,0|1,0,0]=3 11784 B11R0.4 CCCC(C)NCCCCCO 2230a_100000741246_100000746330 [0,2,0,0,0,0|0,0,0]=2 11785 B11R0.4 CCCC(C)NCCCCCO 2230a_100000762737_100000766640 [0,2,0,0,0,0|0,0,0]=2 11786 B11R0.4 CCCC(C)NCCCCCO 270004a_100000762737_100000211909 [0,2,0,0,0,0|0,0,0]=2 11787 B11R0.4 CCCC(C)NCCCCCO 34a_100000762737_100000766640 [0,2,0,0,0,0|0,0,0]=2 11788 B11R0.4 CCCC(C)NCCCCOC 2230a_100000741246_100000730899 [0,2,0,0,0,0|1,0,0]=3 11789 B11R0.4 CCCC(C)NCCCOCC 2230a_100000210961_100000766640 [0,2,0,0,0,0|2,0,0]=4 11790 B11R0.4 CCCC(C)NCCCOCC 2230a_100000741246_100012232248 [0,2,0,0,0,0|2,0,0]=4 11791 B11R0.4 CCCC(C)NCCCOCC 270004a_100000210961_100000211909 [0,2,0,0,0,0|2,0,0]=4 11792 B11R0.4 CCCC(C)NCCCOCC 34a_100000210961_100000766640 [0,2,0,0,0,0|2,0,0]=4 11793 B11R0.4 CCCC(C)NCCOCCO 2230a_100000211614_100000766640 [0,2,0,0,0,0|1,0,0]=3 11794 B11R0.4 CCCC(C)NCCOCCO 2230a_100000741246_100011215305 [0,2,0,0,0,0|1,0,0]=3 11795 B11R0.4 CCCC(C)NCCOCCO 270004a_100000211614_100000211909 [0,2,0,0,0,0|1,0,0]=3 11796 B11R0.4 CCCC(C)NCCOCCO 34a_100000211614_100000766640 [0,2,0,0,0,0|1,0,0]=3 11797 B11R0.4 CCCC(C)NCCSCCO 2230a_100011219999_100000766640 [0,2,0,0,0,0|1,0,0]=3 11798 B11R0.4 CCCC(C)NCCSCCO 270004a_100011219999_100000211909 [0,2,0,0,0,0|1,0,0]=3 11799 B11R0.4 CCCC(C)NCOCCOC 2230a_100000741246_100000231047 [0,2,0,0,0,0|2,0,0]=4 11800 B11R0.4 CCCC(C)OCCCCC#N 7a_100000764384_100000211819 [0,2,0,0,0,0|1,0,1]=4 11801 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [0,2,0,0,0,0|0,0,2]=4 11802 B11R0.4 CCCC(C)OCCCCCBr 34a_100000746331_100000766640 [0,2,0,0,0,0|1,0,0]=3 11803 B11R0.4 CCCC(C)OCCCCCBr 7a_100000746331_100000766640 [0,2,0,0,0,0|1,0,0]=3 11804 B11R0.4 CCCC(C)OCCCCCCl 34a_100000746330_100000766640 [0,2,0,0,0,0|1,0,0]=3 11805 B11R0.4 CCCC(C)OCCCCCCl 7a_100000746330_100000766640 [0,2,0,0,0,0|1,0,0]=3 11806 B11R0.4 CCCC(C)OCCCCCF 34a_100000764384_100000729378 [0,2,0,0,0,0|1,0,0]=3 11807 B11R0.4 CCCC(C)OCCCCCF 7a_100000764384_100000729378 [0,2,0,0,0,0|1,0,0]=3 11808 B11R0.4 CCCC(C)OCCCCCI 34a_200012148887_100000766640 [0,2,0,0,0,0|1,0,0]=3 11809 B11R0.4 CCCC(C)OCCCCCI 7a_200012148887_100000766640 [0,2,0,0,0,0|1,0,0]=3 11810 B11R0.4 CCCC(C)OCCCCCN 34a_100000762737_100000766640 [0,2,0,0,0,0|1,0,0]=3 11811 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [0,2,0,0,0,0|0,0,0]=2 11812 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [0,2,0,0,0,0|0,0,0]=2 11813 B11R0.4 CCCC(C)OCCCCOC 34a_100000740925_100000766640 [0,2,0,0,0,0|1,0,0]=3 11814 B11R0.4 CCCC(C)OCCCCOC 34a_100000764384_100000755781 [0,2,0,0,0,0|1,0,0]=3 11815 B11R0.4 CCCC(C)OCCCCOC 7a_100000764384_100000730899 [0,2,0,0,0,0|1,0,0]=3 11816 B11R0.4 CCCC(C)OCCCCSC 34a_100011217163_100000766640 [0,2,0,0,0,0|1,1,0]=4 11817 B11R0.4 CCCC(C)OCCCCSC 7a_100011217163_100000766640 [0,2,0,0,0,0|1,1,0]=4 11818 B11R0.4 CCCC(C)OCCCOCC 34a_100000757476_100000766640 [0,2,0,0,0,0|2,0,0]=4 11819 B11R0.4 CCCC(C)OCCCOCC 34a_100000764384_100012232248 [0,2,0,0,0,0|2,0,0]=4 11820 B11R0.4 CCCC(C)OCCCOCC 7a_100000757476_100000766640 [0,2,0,0,0,0|2,0,0]=4 11821 B11R0.4 CCCC(C)OCCCOCC 7a_100000764384_100012232248 [0,2,0,0,0,0|2,0,0]=4 11822 B11R0.4 CCCC(C)OCCCSCC 34a_100011216438_100000766640 [0,2,0,0,0,0|2,0,0]=4 11823 B11R0.4 CCCC(C)OCCCSCC 7a_100011216438_100000766640 [0,2,0,0,0,0|2,0,0]=4 11824 B11R0.4 CCCC(C)OCCOCCBr 34a_100000692535_100000766640 [0,2,0,0,0,0|2,0,0]=4 11825 B11R0.4 CCCC(C)OCCOCCBr 7a_100000692535_100000766640 [0,2,0,0,0,0|2,0,0]=4 11826 B11R0.4 CCCC(C)OCCOCCCl 34a_100011215305_100000766640 [0,2,0,0,0,0|2,0,0]=4 11827 B11R0.4 CCCC(C)OCCOCCCl 7a_100011215305_100000766640 [0,2,0,0,0,0|2,0,0]=4 11828 B11R0.4 CCCC(C)OCCOCCF 34a_200015357709_100000766640 [0,2,0,0,0,0|2,0,0]=4 11829 B11R0.4 CCCC(C)OCCOCCF 7a_200015357709_100000766640 [0,2,0,0,0,0|2,0,0]=4 11830 B11R0.4 CCCC(C)OCCOCCI 34a_100012149058_100000766640 [0,2,0,0,0,0|2,0,0]=4 11831 B11R0.4 CCCC(C)OCCOCCI 7a_100012149058_100000766640 [0,2,0,0,0,0|2,0,0]=4 11832 B11R0.4 CCCC(C)OCCOCCN 34a_100000211614_100000766640 [0,2,0,0,0,0|2,0,0]=4 11833 B11R0.4 CCCC(C)OCCOCCO 34a_100000764384_100000692535 [0,2,0,0,0,0|1,0,0]=3 11834 B11R0.4 CCCC(C)OCCOCCO 7a_100000764384_100011215305 [0,2,0,0,0,0|1,0,0]=3 11835 B11R0.4 CCCC(C)SCCCCC#N 62a_100000766640_100000211819 [0,2,0,0,0,0|1,0,1]=4 11836 B11R0.4 CCCC(C)SCCCCC#N 62a_100011219923_100000766640 [0,2,0,0,0,0|1,0,1]=4 11837 B11R0.4 CCCC(C)SCCCCC=O 62a_100000139335_100000766640 [0,2,0,0,0,0|0,0,2]=4 11838 B11R0.4 CCCC(C)SCCCCC=O 62a_100000766640_100000139335 [0,2,0,0,0,0|0,0,2]=4 11839 B11R0.4 CCCC(C)SCCCCCF 62a_100000729378_100000766640 [0,2,0,0,0,0|1,0,0]=3 11840 B11R0.4 CCCC(C)SCCCCCF 62a_100000766640_100000729378 [0,2,0,0,0,0|1,0,0]=3 11841 B11R0.4 CCCC(C)SCCCCCO 62a_100000746330_100000766640 [0,2,0,0,0,0|0,0,0]=2 11842 B11R0.4 CCCC(C)SCCCCCO 62a_100000766640_100000746330 [0,2,0,0,0,0|0,0,0]=2 11843 B11R0.4 CCCC(C)SCCCCOC 62a_100000730899_100000766640 [0,2,0,0,0,0|1,0,0]=3 11844 B11R0.4 CCCC(C)SCCCCOC 62a_100000766640_100000730899 [0,2,0,0,0,0|1,0,0]=3 11845 B11R0.4 CCCC(C)SCCCOCC 62a_100000766640_100012232248 [0,2,0,0,0,0|2,0,0]=4 11846 B11R0.4 CCCC(C)SCCCOCC 62a_100012232248_100000766640 [0,2,0,0,0,0|2,0,0]=4 11847 B11R0.4 CCCC(C)SCCOCCO 62a_100000766640_100011215305 [0,2,0,0,0,0|1,0,0]=3 11848 B11R0.4 CCCC(C)SCCOCCO 62a_100011215305_100000766640 [0,2,0,0,0,0|1,0,0]=3 11849 B11R0.4 CCCC(C)SCOCCOC 62a_100000231047_100000766640 [0,2,0,0,0,0|2,0,0]=4 11850 B11R0.4 CCCC(C)SCOCCOC 62a_100000766640_100000231047 [0,2,0,0,0,0|2,0,0]=4 11851 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,2,0,0,0,0|0,0,2]=4 11852 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,2,0,0,0,0|0,0,2]=4 11853 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,2,0,0,0,0|0,0,2]=4 11854 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,2,0,0,0,0|1,0,1]=4 11855 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,2,0,0,0,0|1,0,1]=4 11856 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,2,0,0,0,0|1,0,0]=3 11857 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,2,0,0,0,0|1,0,0]=3 11858 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,2,0,0,0,0|1,0,0]=3 11859 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,2,0,0,0,0|0,0,0]=2 11860 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,2,0,0,0,0|0,0,0]=2 11861 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,2,0,0,0,0|0,0,1]=3 11862 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,2,0,0,0,0|0,1,1]=4 11863 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,2,0,0,0,0|1,0,1]=4 11864 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,2,0,0,0,0|1,0,1]=4 11865 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,2,0,0,0,0|1,0,1]=4 11866 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,2,0,0,0,0|1,0,0]=3 11867 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,2,0,0,0,0|1,0,0]=3 11868 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,2,0,0,0,0|1,0,0]=3 11869 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,2,0,0,0,0|1,0,0]=3 11870 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,2,0,0,0,0|1,0,0]=3 11871 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [0,2,0,0,0,0|1,0,0]=3 11872 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [0,2,0,0,0,0|1,0,0]=3 11873 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [0,2,0,0,0,0|1,0,0]=3 11874 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [0,2,0,0,0,0|1,0,0]=3 11875 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [0,2,0,0,0,0|1,0,0]=3 11876 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [0,2,0,0,0,0|1,0,0]=3 11877 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000228206_100011215382 [0,2,0,0,0,0|1,0,1]=4 11878 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000748184_100000210681 [0,2,0,0,0,0|1,0,1]=4 11879 B11R0.4 CCCCCCCN(C)CC#N 269982a_100000228206_100011214920 [0,2,0,0,0,0|1,0,1]=4 11880 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [0,2,0,0,0,0|0,0,2]=4 11881 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [0,2,0,0,0,0|0,0,2]=4 11882 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,2,0,0,0,0|1,0,0]=3 11883 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,2,0,0,0,0|1,0,0]=3 11884 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,2,0,0,0,0|1,0,0]=3 11885 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,2,0,0,0,0|1,0,0]=3 11886 B11R0.4 CCCCCCCN(C)CCF 2230a_100000228206_100011217306 [0,2,0,0,0,0|1,0,0]=3 11887 B11R0.4 CCCCCCCN(C)CCF 269982a_100000228206_100011217306 [0,2,0,0,0,0|1,0,0]=3 11888 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,2,0,0,0,0|0,0,0]=2 11889 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,2,0,0,0,0|0,0,0]=2 11890 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,2,0,0,0,0|0,0,0]=2 11891 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,2,0,0,0,0|0,0,0]=2 11892 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,2,0,0,0,0|1,0,0]=3 11893 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,2,0,0,0,0|1,0,0]=3 11894 B11R0.4 CCCCCCCN(C)CSC 2230a_100000228206_100011218213 [0,2,0,0,0,0|1,1,0]=4 11895 B11R0.4 CCCCCCCN(C)CSC 269982a_100000228206_100011218213 [0,2,0,0,0,0|1,1,0]=4 11896 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 11897 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 11898 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 11899 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 11900 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,2,0,0,0,0|0,0,1]=3 11901 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,2,0,0,0,0|1,0,1]=4 11902 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,2,0,0,0,0|1,0,1]=4 11903 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,2,0,0,0,0|1,0,1]=4 11904 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,2,0,0,0,0|1,0,1]=4 11905 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,2,0,0,0,0|1,0,1]=4 11906 B11R0.4 CCCCCCNC(C)CC#N 2230a_100000210581_100009813641 [0,2,0,0,0,0|1,0,1]=4 11907 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [0,2,0,0,0,0|1,0,0]=3 11908 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [0,2,0,0,0,0|1,0,0]=3 11909 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [0,2,0,0,0,0|1,0,0]=3 11910 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [0,2,0,0,0,0|0,0,0]=2 11911 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [0,2,0,0,0,0|1,0,0]=3 11912 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [0,2,0,0,0,0|1,0,0]=3 11913 B11R0.4 CCCCCCNC(C)CSC 270004a_100000210581_100011216314 [0,2,0,0,0,0|1,1,0]=4 11914 B11R0.4 CCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210314 [0,2,0,0,0,0|1,0,1]=4 11915 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [0,2,0,0,0,0|0,0,0]=2 11916 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [0,2,0,0,0,0|0,0,0]=2 11917 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [0,2,0,0,0,0|1,0,0]=3 11918 B11R0.4 CCCCCCOC(C)CC#N 7a_100000210259_100009813641 [0,2,0,0,0,0|1,0,1]=4 11919 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [0,2,0,0,0,0|1,0,0]=3 11920 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,2,0,0,0,0|1,0,0]=3 11921 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,2,0,0,0,0|1,0,0]=3 11922 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,2,0,0,0,0|1,0,0]=3 11923 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,2,0,0,0,0|1,0,0]=3 11924 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,2,0,0,0,0|0,0,0]=2 11925 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,2,0,0,0,0|0,0,0]=2 11926 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,2,0,0,0,0|1,0,0]=3 11927 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,2,0,0,0,0|1,0,0]=3 11928 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,2,0,0,0,0|1,0,0]=3 11929 B11R0.4 CCCCCCSC(C)CC#N 62a_100000210314_100009813641 [0,2,0,0,0,0|1,0,1]=4 11930 B11R0.4 CCCCCCSC(C)CC#N 62a_100009813641_100000210757 [0,2,0,0,0,0|1,0,1]=4 11931 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [0,2,0,0,0,0|1,0,0]=3 11932 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [0,2,0,0,0,0|1,0,0]=3 11933 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [0,2,0,0,0,0|0,0,0]=2 11934 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [0,2,0,0,0,0|0,0,0]=2 11935 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [0,2,0,0,0,0|1,0,0]=3 11936 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [0,2,0,0,0,0|1,0,0]=3 11937 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,2,0,0,0,0|1,0,1]=4 11938 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,2,0,0,0,0|1,0,1]=4 11939 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [0,2,0,0,0,0|1,0,0]=3 11940 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [0,2,0,0,0,0|1,0,0]=3 11941 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [0,2,0,0,0,0|1,0,0]=3 11942 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [0,2,0,0,0,0|1,0,0]=3 11943 B11R0.4 CCCCCNC[C@@H](O)CC#N 2230a_100000209983_100000001066 [0,2,0,0,0,0|1,0,1]=4 11944 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,2,0,0,0,0|1,0,1]=4 11945 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,2,0,0,0,0|1,0,1]=4 11946 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,2,0,0,0,0|1,0,1]=4 11947 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,2,0,0,0,0|1,0,1]=4 11948 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [0,2,0,0,0,0|1,0,0]=3 11949 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [0,2,0,0,0,0|1,0,0]=3 11950 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [0,2,0,0,0,0|1,0,0]=3 11951 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [0,2,0,0,0,0|1,0,0]=3 11952 B11R0.4 CCCCCOCC(C)CCN 34a_106354213184_100000718602 [0,2,0,0,0,0|1,0,0]=3 11953 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [0,2,0,0,0,0|1,0,0]=3 11954 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [0,2,0,0,0,0|1,0,0]=3 11955 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [0,2,0,0,0,0|1,0,0]=3 11956 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [0,2,0,0,0,0|1,0,0]=3 11957 B11R0.4 CCCCCOC[C@@H](O)CC#N 7a_100000210253_100000001066 [0,2,0,0,0,0|1,0,1]=4 11958 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,2,0,0,0,0|1,0,1]=4 11959 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,2,0,0,0,0|1,0,1]=4 11960 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,2,0,0,0,0|1,0,1]=4 11961 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,2,0,0,0,0|1,0,1]=4 11962 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [0,2,0,0,0,0|1,0,0]=3 11963 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [0,2,0,0,0,0|1,0,0]=3 11964 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [0,2,0,0,0,0|1,0,0]=3 11965 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [0,2,0,0,0,0|1,0,0]=3 11966 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210326 [0,2,0,0,0,0|1,0,1]=4 11967 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000210326_100000001066 [0,2,0,0,0,0|1,0,1]=4 11968 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,2,0,0,0,0|1,0,1]=4 11969 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,2,0,0,0,0|0,0,1]=3 11970 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,2,0,0,0,0|1,0,1]=4 11971 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [0,2,0,0,0,0|1,0,0]=3 11972 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [0,2,0,0,0,0|1,0,0]=3 11973 B11R0.4 CCCCOCCN(C)CCC 2230a_100000747261_100000743108 [0,2,0,0,0,0|2,0,0]=4 11974 B11R0.4 CCCCOCCN(C)CCC 269982a_100000747261_100000743108 [0,2,0,0,0,0|2,0,0]=4 11975 B11R0.4 CCCCOCCN(C)CCO 2230a_100000210263_100000743108 [0,2,0,0,0,0|1,0,0]=3 11976 B11R0.4 CCCCOCCN(C)CCO 269982a_100000210263_100000743108 [0,2,0,0,0,0|1,0,0]=3 11977 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [0,2,0,0,0,0|1,0,0]=3 11978 B11R0.4 CCCCOCNC(C)CCC 2230a_100000741246_100011995733 [0,2,0,0,0,0|2,0,0]=4 11979 B11R0.4 CCCCOCN[C@H](C)CCO 2230a_100000706166_100011995733 [0,2,0,0,0,0|1,0,0]=3 11980 B11R0.4 CCCCOCN[C@H](C)CCO 34a_100000706166_100011995733 [0,2,0,0,0,0|1,0,0]=3 11981 B11R0.4 CCCCOCN[C@H](C)COC 2230a_100000764878_100011995733 [0,2,0,0,0,0|2,0,0]=4 11982 B11R0.4 CCCCOCOC(C)CCBr 34a_100012276601_100011995733 [0,2,0,0,0,0|2,0,0]=4 11983 B11R0.4 CCCCOCOC(C)CCC 34a_100000764384_100011995733 [0,2,0,0,0,0|2,0,0]=4 11984 B11R0.4 CCCCOCO[C@H](C)COC 34a_100011934205_100011995733 [0,2,0,0,0,0|2,0,0]=4 11985 B11R0.4 CCCCOCSC(C)CCC 62a_100000766640_100011995733 [0,2,0,0,0,0|2,0,0]=4 11986 B11R0.4 CCCCOCSC(C)CCC 62a_100011995733_100000766640 [0,2,0,0,0,0|2,0,0]=4 11987 B11R0.4 CCCCOCSC(C)CCO 62a_100009893172_100011995733 [0,2,0,0,0,0|1,0,0]=3 11988 B11R0.4 CCCCOCSC(C)CCO 62a_100011995733_100009893172 [0,2,0,0,0,0|1,0,0]=3 11989 B11R0.4 CCCCOCSC(C)COC 62a_100000765312_100011995733 [0,2,0,0,0,0|2,0,0]=4 11990 B11R0.4 CCCCOCSC(C)COC 62a_100011995733_100000765312 [0,2,0,0,0,0|2,0,0]=4 11991 B11R0.4 CCCN(C)CCCCCC#N 2230a_100000747261_100009813376 [0,2,0,0,0,0|1,0,1]=4 11992 B11R0.4 CCCN(C)CCCCCC#N 269982a_100000747261_100009813376 [0,2,0,0,0,0|1,0,1]=4 11993 B11R0.4 CCCN(C)CCCCCC=O 2230a_100000747261_100000139337 [0,2,0,0,0,0|0,0,2]=4 11994 B11R0.4 CCCN(C)CCCCCC=O 269982a_100000747261_100000139337 [0,2,0,0,0,0|0,0,2]=4 11995 B11R0.4 CCCN(C)CCCCCCF 2230a_100000747261_100015922095 [0,2,0,0,0,0|1,0,0]=3 11996 B11R0.4 CCCN(C)CCCCCCF 269982a_100000747261_100015922095 [0,2,0,0,0,0|1,0,0]=3 11997 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [0,2,0,0,0,0|0,0,0]=2 11998 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [0,2,0,0,0,0|0,0,0]=2 11999 B11R0.4 CCCN(C)CCOCCOC 2230a_100000747261_100000695917 [0,2,0,0,0,0|2,0,0]=4 12000 B11R0.4 CCCN(C)CCOCCOC 269982a_100000747261_100000695917 [0,2,0,0,0,0|2,0,0]=4 12001 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [0,2,0,0,0,0|1,0,0]=3 12002 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [0,2,0,0,0,0|1,0,0]=3 12003 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,2,0,0,0,0|1,0,1]=4 12004 B11R0.4 CCCOCCNC(C)CCC 2230a_100000741246_100011215938 [0,2,0,0,0,0|2,0,0]=4 12005 B11R0.4 CCCOCCNC(C)CCC 2230a_100161115042_100000766640 [0,2,0,0,0,0|2,0,0]=4 12006 B11R0.4 CCCOCCNC(C)CCC 270004a_100161115042_100000211909 [0,2,0,0,0,0|2,0,0]=4 12007 B11R0.4 CCCOCCNC(C)CCC 34a_100161115042_100000766640 [0,2,0,0,0,0|2,0,0]=4 12008 B11R0.4 CCCOCCNC(C)CCO 2230a_100161115042_100009893172 [0,2,0,0,0,0|1,0,0]=3 12009 B11R0.4 CCCOCCNC(C)CCO 34a_100161115042_100009893172 [0,2,0,0,0,0|1,0,0]=3 12010 B11R0.4 CCCOCCNC(C)COC 2230a_100161115042_100000765312 [0,2,0,0,0,0|2,0,0]=4 12011 B11R0.4 CCCOCCNC(C)COC 270004a_100161115042_100000749346 [0,2,0,0,0,0|2,0,0]=4 12012 B11R0.4 CCCOCCNC(C)COC 34a_100161115042_100000765312 [0,2,0,0,0,0|2,0,0]=4 12013 B11R0.4 CCCOCCN[C@H](C)CCO 2230a_100000706166_100011215938 [0,2,0,0,0,0|1,0,0]=3 12014 B11R0.4 CCCOCCN[C@H](C)CCO 34a_100000706166_100011215938 [0,2,0,0,0,0|1,0,0]=3 12015 B11R0.4 CCCOCCN[C@H](C)COC 2230a_100000764878_100011215938 [0,2,0,0,0,0|2,0,0]=4 12016 B11R0.4 CCCOCCOC(C)CCBr 34a_100012276601_100011215938 [0,2,0,0,0,0|2,0,0]=4 12017 B11R0.4 CCCOCCOC(C)CCC 34a_100000752267_100000766640 [0,2,0,0,0,0|2,0,0]=4 12018 B11R0.4 CCCOCCOC(C)CCC 34a_100000764384_100011215938 [0,2,0,0,0,0|2,0,0]=4 12019 B11R0.4 CCCOCCOC(C)CCC 7a_100000752267_100000766640 [0,2,0,0,0,0|2,0,0]=4 12020 B11R0.4 CCCOCCOC(C)CCC 7a_100000764384_100011215938 [0,2,0,0,0,0|2,0,0]=4 12021 B11R0.4 CCCOCCOC(C)CCO 34a_100000752267_100009893172 [0,2,0,0,0,0|1,0,0]=3 12022 B11R0.4 CCCOCCOC(C)CCO 7a_100000752267_100009893172 [0,2,0,0,0,0|1,0,0]=3 12023 B11R0.4 CCCOCCOC(C)COC 34a_100000752267_100000765312 [0,2,0,0,0,0|2,0,0]=4 12024 B11R0.4 CCCOCCOC(C)COC 7a_100000752267_100000765312 [0,2,0,0,0,0|2,0,0]=4 12025 B11R0.4 CCCOCCO[C@H](C)COC 34a_100011934205_100011215938 [0,2,0,0,0,0|2,0,0]=4 12026 B11R0.4 CCCOCCSC(C)CCC 62a_100000766640_100011215938 [0,2,0,0,0,0|2,0,0]=4 12027 B11R0.4 CCCOCCSC(C)CCC 62a_100011215938_100000766640 [0,2,0,0,0,0|2,0,0]=4 12028 B11R0.4 CCCOCCSC(C)CCO 62a_100009893172_100011215938 [0,2,0,0,0,0|1,0,0]=3 12029 B11R0.4 CCCOCCSC(C)CCO 62a_100011215938_100009893172 [0,2,0,0,0,0|1,0,0]=3 12030 B11R0.4 CCCOCCSC(C)COC 62a_100000765312_100011215938 [0,2,0,0,0,0|2,0,0]=4 12031 B11R0.4 CCCOCCSC(C)COC 62a_100011215938_100000765312 [0,2,0,0,0,0|2,0,0]=4 12032 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,2,0,0,0,0|1,0,1]=4 12033 B11R0.4 CCCSCCNC(C)CCC 2230a_100020603323_100000766640 [0,2,0,0,0,0|2,0,0]=4 12034 B11R0.4 CCCSCCNC(C)CCC 270004a_100020603323_100000211909 [0,2,0,0,0,0|2,0,0]=4 12035 B11R0.4 CCCSCCNC(C)CCO 2230a_100020603323_100009893172 [0,2,0,0,0,0|1,0,0]=3 12036 B11R0.4 CCCSCCNC(C)COC 2230a_100020603323_100000765312 [0,2,0,0,0,0|2,0,0]=4 12037 B11R0.4 CCCSCCNC(C)COC 270004a_100020603323_100000749346 [0,2,0,0,0,0|2,0,0]=4 12038 B11R0.4 CCCSCCOC(C)CCC 34a_200000230433_100000766640 [0,2,0,0,0,0|2,0,0]=4 12039 B11R0.4 CCCSCCOC(C)CCC 7a_200000230433_100000766640 [0,2,0,0,0,0|2,0,0]=4 12040 B11R0.4 CCCSCCOC(C)CCO 34a_200000230433_100009893172 [0,2,0,0,0,0|1,0,0]=3 12041 B11R0.4 CCCSCCOC(C)CCO 7a_200000230433_100009893172 [0,2,0,0,0,0|1,0,0]=3 12042 B11R0.4 CCCSCCOC(C)COC 34a_200000230433_100000765312 [0,2,0,0,0,0|2,0,0]=4 12043 B11R0.4 CCCSCCOC(C)COC 7a_200000230433_100000765312 [0,2,0,0,0,0|2,0,0]=4 12044 B11R0.4 CCC[C@H](N)CCOCCCF 34a_100015193777_100011934791 [0,2,0,0,0,0|1,0,0]=3 12045 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [0,2,0,0,0,0|0,0,0]=2 12046 B11R0.4 CCC[C@H](N)CCOCCOC 34a_100015193777_100011201679 [0,2,0,0,0,0|1,0,0]=3 12047 B11R0.4 CCC[C@H](N)CCOCCSC 34a_100015193777_100000212216 [0,2,0,0,0,0|1,1,0]=4 12048 B11R0.4 CCC[C@H](N)COCC#CCO 34a_100000732646_200000047223 [0,2,0,0,0,0|0,0,2]=4 12049 B11R0.4 CCC[C@H](N)COCCCCF 34a_100000732646_100000729493 [0,2,0,0,0,0|1,0,0]=3 12050 B11R0.4 CCC[C@H](N)COCCCCO 34a_100000732646_100011216708 [0,2,0,0,0,0|0,0,0]=2 12051 B11R0.4 CCC[C@H](N)COCCCOC 34a_100000732646_100000740836 [0,2,0,0,0,0|1,0,0]=3 12052 B11R0.4 CCC[C@H](N)COCCOCC 34a_100000732646_100000210147 [0,2,0,0,0,0|2,0,0]=4 12053 B11R0.4 CCC[C@H](N)COCCSCC 34a_100000732646_100000757381 [0,2,0,0,0,0|2,0,0]=4 12054 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,2,0,0,0,0|0,0,1]=3 12055 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,2,0,0,0,0|1,0,1]=4 12056 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,2,0,0,0,0|1,0,1]=4 12057 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,2,0,0,0,0|1,0,1]=4 12058 B11R0.4 CCNC(=O)CCNCCCO 34a_100025743525_100000230001 [0,2,0,0,0,0|1,0,1]=4 12059 B11R0.4 CCNC(=O)CCSCCCO 62a_100000737597_100011215043 [0,2,0,0,0,0|1,0,1]=4 12060 B11R0.4 CCNC(=O)CCSCCCO 62a_100011215043_100000737597 [0,2,0,0,0,0|1,0,1]=4 12061 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [0,2,0,0,0,0|1,0,1]=4 12062 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [0,2,0,0,0,0|1,0,1]=4 12063 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [0,2,0,0,0,0|1,0,1]=4 12064 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [0,2,0,0,0,0|1,0,1]=4 12065 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [0,2,0,0,0,0|1,0,1]=4 12066 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,2,0,0,0,0|1,0,1]=4 12067 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,2,0,0,0,0|1,0,1]=4 12068 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,2,0,0,0,0|1,0,1]=4 12069 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,2,0,0,0,0|1,0,1]=4 12070 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,2,0,0,0,0|1,0,1]=4 12071 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,2,0,0,0,0|1,0,1]=4 12072 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,2,0,0,0,0|1,0,1]=4 12073 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,2,0,0,0,0|1,0,1]=4 12074 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,2,0,0,0,0|1,0,1]=4 12075 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,2,0,0,0,0|1,0,1]=4 12076 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,2,0,0,0,0|1,0,1]=4 12077 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,2,0,0,0,0|1,0,1]=4 12078 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,2,0,0,0,0|1,0,1]=4 12079 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,2,0,0,0,0|1,0,1]=4 12080 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,2,0,0,0,0|1,0,1]=4 12081 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,2,0,0,0,0|1,0,1]=4 12082 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,2,0,0,0,0|1,0,1]=4 12083 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,2,0,0,0,0|1,0,1]=4 12084 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,2,0,0,0,0|1,0,1]=4 12085 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,2,0,0,0,0|1,0,1]=4 12086 B11R0.4 CCOCCCNC(C)CCO 2230a_100000210961_100009893172 [0,2,0,0,0,0|1,0,0]=3 12087 B11R0.4 CCOCCCNC(C)CCO 34a_100000210961_100009893172 [0,2,0,0,0,0|1,0,0]=3 12088 B11R0.4 CCOCCCNC(C)COC 2230a_100000210961_100000765312 [0,2,0,0,0,0|2,0,0]=4 12089 B11R0.4 CCOCCCNC(C)COC 270004a_100000210961_100000749346 [0,2,0,0,0,0|2,0,0]=4 12090 B11R0.4 CCOCCCNC(C)COC 34a_100000210961_100000765312 [0,2,0,0,0,0|2,0,0]=4 12091 B11R0.4 CCOCCCN[C@H](C)CCO 2230a_100000706166_100012232248 [0,2,0,0,0,0|1,0,0]=3 12092 B11R0.4 CCOCCCN[C@H](C)CCO 34a_100000706166_100012232248 [0,2,0,0,0,0|1,0,0]=3 12093 B11R0.4 CCOCCCN[C@H](C)COC 2230a_100000764878_100012232248 [0,2,0,0,0,0|2,0,0]=4 12094 B11R0.4 CCOCCCOC(C)CCBr 34a_100012276601_100012232248 [0,2,0,0,0,0|2,0,0]=4 12095 B11R0.4 CCOCCCOC(C)CCO 34a_100000757476_100009893172 [0,2,0,0,0,0|1,0,0]=3 12096 B11R0.4 CCOCCCOC(C)CCO 7a_100000757476_100009893172 [0,2,0,0,0,0|1,0,0]=3 12097 B11R0.4 CCOCCCOC(C)COC 34a_100000757476_100000765312 [0,2,0,0,0,0|2,0,0]=4 12098 B11R0.4 CCOCCCOC(C)COC 7a_100000757476_100000765312 [0,2,0,0,0,0|2,0,0]=4 12099 B11R0.4 CCOCCCO[C@H](C)COC 34a_100011934205_100012232248 [0,2,0,0,0,0|2,0,0]=4 12100 B11R0.4 CCOCCCSC(C)CCO 62a_100009893172_100012232248 [0,2,0,0,0,0|1,0,0]=3 12101 B11R0.4 CCOCCCSC(C)CCO 62a_100012232248_100009893172 [0,2,0,0,0,0|1,0,0]=3 12102 B11R0.4 CCOCCCSC(C)COC 62a_100000765312_100012232248 [0,2,0,0,0,0|2,0,0]=4 12103 B11R0.4 CCOCCCSC(C)COC 62a_100012232248_100000765312 [0,2,0,0,0,0|2,0,0]=4 12104 B11R0.4 CCOCCNCC(O)COC 2230a_100000756049_100011215890 [0,2,0,0,0,0|2,0,0]=4 12105 B11R0.4 CCOCCNCC(O)COC 34a_100000756049_100000210147 [0,2,0,0,0,0|2,0,0]=4 12106 B11R0.4 CCOCCNCC(O)COC 34a_102516460346_100011215053 [0,2,0,0,0,0|2,0,0]=4 12107 B11R0.4 CCOCCOCC(C)CCN 34a_106354213184_100000210147 [0,2,0,0,0,0|2,0,0]=4 12108 B11R0.4 CCOCCOCC(N)COC 34a_100000724102_100000210147 [0,2,0,0,0,0|2,0,0]=4 12109 B11R0.4 CCOCCOCC(O)COC 34a_100000210136_100011215053 [0,2,0,0,0,0|2,0,0]=4 12110 B11R0.4 CCOCCOCC(O)COC 7a_100000210136_100011215053 [0,2,0,0,0,0|2,0,0]=4 12111 B11R0.4 CCOCCSCC(O)COC 62a_100000210147_100011215053 [0,2,0,0,0,0|2,0,0]=4 12112 B11R0.4 CCOCCSCC(O)COC 62a_100011215053_100011215890 [0,2,0,0,0,0|2,0,0]=4 12113 B11R0.4 CCSCCCOC(C)CCO 34a_100011216438_100009893172 [0,2,0,0,0,0|1,0,0]=3 12114 B11R0.4 CCSCCCOC(C)CCO 7a_100011216438_100009893172 [0,2,0,0,0,0|1,0,0]=3 12115 B11R0.4 CCSCCCOC(C)COC 34a_100011216438_100000765312 [0,2,0,0,0,0|2,0,0]=4 12116 B11R0.4 CCSCCCOC(C)COC 7a_100011216438_100000765312 [0,2,0,0,0,0|2,0,0]=4 12117 B11R0.4 CCSCCNCC(O)COC 2230a_100000756049_100000757381 [0,2,0,0,0,0|2,0,0]=4 12118 B11R0.4 CCSCCNCC(O)COC 34a_100000756049_100000757381 [0,2,0,0,0,0|2,0,0]=4 12119 B11R0.4 CCSCCOCC(C)CCN 34a_106354213184_100000757381 [0,2,0,0,0,0|2,0,0]=4 12120 B11R0.4 CCSCCOCC(N)COC 34a_100000724102_100000757381 [0,2,0,0,0,0|2,0,0]=4 12121 B11R0.4 CCSCCOCC(O)COC 34a_100000212035_100011215053 [0,2,0,0,0,0|2,0,0]=4 12122 B11R0.4 CCSCCOCC(O)COC 7a_100000212035_100011215053 [0,2,0,0,0,0|2,0,0]=4 12123 B11R0.4 CCSCCSCC(O)COC 62a_100000757381_100011215053 [0,2,0,0,0,0|2,0,0]=4 12124 B11R0.4 CCSCCSCC(O)COC 62a_100011215053_100000757381 [0,2,0,0,0,0|2,0,0]=4 12125 B11R0.4 CN(CC#N)CCCCCCO 2230a_100000748184_100000766143 [0,2,0,0,0,0|1,0,1]=4 12126 B11R0.4 CN(CCO)CCCCCC#N 2230a_100000210263_100009813376 [0,2,0,0,0,0|1,0,1]=4 12127 B11R0.4 CN(CCO)CCCCCC#N 269982a_100000210263_100009813376 [0,2,0,0,0,0|1,0,1]=4 12128 B11R0.4 CN(CCO)CCCCCC=O 2230a_100000210263_100000139337 [0,2,0,0,0,0|1,0,1]=4 12129 B11R0.4 CN(CCO)CCCCCC=O 269982a_100000210263_100000139337 [0,2,0,0,0,0|1,0,1]=4 12130 B11R0.4 CN(CCO)CCCCCCF 2230a_100000210263_100015922095 [0,2,0,0,0,0|1,0,0]=3 12131 B11R0.4 CN(CCO)CCCCCCF 269982a_100000210263_100015922095 [0,2,0,0,0,0|1,0,0]=3 12132 B11R0.4 CN(CCO)CCCCCCO 2230a_100000210263_100000766143 [0,2,0,0,0,0|1,0,0]=3 12133 B11R0.4 CN(CCO)CCCCCCO 269982a_100000210263_100000766143 [0,2,0,0,0,0|1,0,0]=3 12134 B11R0.4 CNCCCOCC(O)COC 34a_100000213112_100011215053 [0,2,0,0,0,0|2,0,0]=4 12135 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,2,0,0,0,0|1,0,1]=4 12136 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,2,0,0,0,0|0,0,1]=3 12137 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,2,0,0,0,0|1,0,1]=4 12138 B11R0.4 COCC(C)NCCCCCO 2230a_100000762737_100000765312 [0,2,0,0,0,0|1,0,0]=3 12139 B11R0.4 COCC(C)NCCCCCO 270004a_100000762737_100000749346 [0,2,0,0,0,0|1,0,0]=3 12140 B11R0.4 COCC(C)NCCCCCO 34a_100000762737_100000765312 [0,2,0,0,0,0|1,0,0]=3 12141 B11R0.4 COCC(C)NCCOCCO 2230a_100000211614_100000765312 [0,2,0,0,0,0|2,0,0]=4 12142 B11R0.4 COCC(C)NCCOCCO 270004a_100000211614_100000749346 [0,2,0,0,0,0|2,0,0]=4 12143 B11R0.4 COCC(C)NCCOCCO 34a_100000211614_100000765312 [0,2,0,0,0,0|2,0,0]=4 12144 B11R0.4 COCC(C)NCCSCCO 2230a_100011219999_100000765312 [0,2,0,0,0,0|2,0,0]=4 12145 B11R0.4 COCC(C)NCCSCCO 270004a_100011219999_100000749346 [0,2,0,0,0,0|2,0,0]=4 12146 B11R0.4 COCC(C)OCCCCCBr 34a_100000746331_100000765312 [0,2,0,0,0,0|2,0,0]=4 12147 B11R0.4 COCC(C)OCCCCCBr 7a_100000746331_100000765312 [0,2,0,0,0,0|2,0,0]=4 12148 B11R0.4 COCC(C)OCCCCCCl 34a_100000746330_100000765312 [0,2,0,0,0,0|2,0,0]=4 12149 B11R0.4 COCC(C)OCCCCCCl 7a_100000746330_100000765312 [0,2,0,0,0,0|2,0,0]=4 12150 B11R0.4 COCC(C)OCCCCCI 34a_200012148887_100000765312 [0,2,0,0,0,0|2,0,0]=4 12151 B11R0.4 COCC(C)OCCCCCI 7a_200012148887_100000765312 [0,2,0,0,0,0|2,0,0]=4 12152 B11R0.4 COCC(C)OCCCCCN 34a_100000762737_100000765312 [0,2,0,0,0,0|2,0,0]=4 12153 B11R0.4 COCC(C)OCCCCSC 34a_100011217163_100000765312 [0,2,0,0,0,0|2,0,0]=4 12154 B11R0.4 COCC(C)OCCCCSC 7a_100011217163_100000765312 [0,2,0,0,0,0|2,0,0]=4 12155 B11R0.4 COCC(C)SCCCCCF 62a_100000729378_100000765312 [0,2,0,0,0,0|2,0,0]=4 12156 B11R0.4 COCC(C)SCCCCCF 62a_100000765312_100000729378 [0,2,0,0,0,0|2,0,0]=4 12157 B11R0.4 COCC(C)SCCCCCO 62a_100000746330_100000765312 [0,2,0,0,0,0|1,0,0]=3 12158 B11R0.4 COCC(C)SCCCCCO 62a_100000765312_100000746330 [0,2,0,0,0,0|1,0,0]=3 12159 B11R0.4 COCC(C)SCCOCCO 62a_100000765312_100011215305 [0,2,0,0,0,0|2,0,0]=4 12160 B11R0.4 COCC(C)SCCOCCO 62a_100011215305_100000765312 [0,2,0,0,0,0|2,0,0]=4 12161 B11R0.4 COCC(N)COCCCCF 34a_100000724102_100000729493 [0,2,0,0,0,0|2,0,0]=4 12162 B11R0.4 COCC(N)COCCCCO 34a_100000724102_100011216708 [0,2,0,0,0,0|1,0,0]=3 12163 B11R0.4 COCC(O)CNCCCCF 2230a_100000756049_100000729493 [0,2,0,0,0,0|2,0,0]=4 12164 B11R0.4 COCC(O)CNCCCCF 34a_100000756049_100000729493 [0,2,0,0,0,0|2,0,0]=4 12165 B11R0.4 COCC(O)CNCCCCO 2230a_100000756049_100000210776 [0,2,0,0,0,0|1,0,0]=3 12166 B11R0.4 COCC(O)CNCCCCO 34a_100000750430_100011215053 [0,2,0,0,0,0|1,0,0]=3 12167 B11R0.4 COCC(O)CNCCCCO 34a_100000756049_100011216708 [0,2,0,0,0,0|1,0,0]=3 12168 B11R0.4 COCC(O)COCCCCBr 34a_100011216708_100011215053 [0,2,0,0,0,0|2,0,0]=4 12169 B11R0.4 COCC(O)COCCCCCl 34a_100000210776_100011215053 [0,2,0,0,0,0|2,0,0]=4 12170 B11R0.4 COCC(O)COCCCCCl 7a_100000210776_100011215053 [0,2,0,0,0,0|2,0,0]=4 12171 B11R0.4 COCC(O)COCCCCF 34a_100011995726_100011215053 [0,2,0,0,0,0|2,0,0]=4 12172 B11R0.4 COCC(O)COCCCCF 7a_100011995726_100011215053 [0,2,0,0,0,0|2,0,0]=4 12173 B11R0.4 COCC(O)COCCCCI 34a_200012148704_100011215053 [0,2,0,0,0,0|2,0,0]=4 12174 B11R0.4 COCC(O)COCCCCN 34a_100000750430_100011215053 [0,2,0,0,0,0|2,0,0]=4 12175 B11R0.4 COCC(O)COCCCSC 34a_100000690336_100011215053 [0,2,0,0,0,0|2,0,0]=4 12176 B11R0.4 COCC(O)COCCCSC 7a_100000690336_100011215053 [0,2,0,0,0,0|2,0,0]=4 12177 B11R0.4 COCC(O)CSCCCCF 62a_100000729493_100011215053 [0,2,0,0,0,0|2,0,0]=4 12178 B11R0.4 COCC(O)CSCCCCF 62a_100011215053_100000729493 [0,2,0,0,0,0|2,0,0]=4 12179 B11R0.4 COCC(O)CSCCCCO 62a_100000210776_100011215053 [0,2,0,0,0,0|1,0,0]=3 12180 B11R0.4 COCC(O)CSCCCCO 62a_100011215053_100000210776 [0,2,0,0,0,0|1,0,0]=3 12181 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,2,0,0,0,0|1,0,1]=4 12182 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,2,0,0,0,0|0,0,1]=3 12183 B11R0.4 COCCCCN[C@H](C)CCO 2230a_100000706166_100000730899 [0,2,0,0,0,0|1,0,0]=3 12184 B11R0.4 COCCCCN[C@H](C)CCO 34a_100000706166_100000755781 [0,2,0,0,0,0|1,0,0]=3 12185 B11R0.4 COCCCCN[C@H](C)COC 2230a_100000764878_100000730899 [0,2,0,0,0,0|2,0,0]=4 12186 B11R0.4 COCCCCOC(C)CCBr 34a_100012276601_100000755781 [0,2,0,0,0,0|2,0,0]=4 12187 B11R0.4 COCCCCOC(C)CCO 34a_100000740925_100009893172 [0,2,0,0,0,0|1,0,0]=3 12188 B11R0.4 COCCCCOC(C)COC 34a_100000740925_100000765312 [0,2,0,0,0,0|2,0,0]=4 12189 B11R0.4 COCCCCO[C@H](C)COC 34a_100011934205_100000755781 [0,2,0,0,0,0|2,0,0]=4 12190 B11R0.4 COCCCCSC(C)CCO 62a_100000730899_100009893172 [0,2,0,0,0,0|1,0,0]=3 12191 B11R0.4 COCCCCSC(C)CCO 62a_100009893172_100000730899 [0,2,0,0,0,0|1,0,0]=3 12192 B11R0.4 COCCCCSC(C)COC 62a_100000730899_100000765312 [0,2,0,0,0,0|2,0,0]=4 12193 B11R0.4 COCCCCSC(C)COC 62a_100000765312_100000730899 [0,2,0,0,0,0|2,0,0]=4 12194 B11R0.4 COCCCNCC(O)COC 2230a_100000756049_100000740836 [0,2,0,0,0,0|2,0,0]=4 12195 B11R0.4 COCCCNCC(O)COC 34a_100000756049_100000740836 [0,2,0,0,0,0|2,0,0]=4 12196 B11R0.4 COCCCNCC(O)COC 34a_100150723488_100011215053 [0,2,0,0,0,0|2,0,0]=4 12197 B11R0.4 COCCCOCC(C)CCN 34a_106354213184_100000740836 [0,2,0,0,0,0|2,0,0]=4 12198 B11R0.4 COCCCOCC(N)COC 34a_100000724102_100000740836 [0,2,0,0,0,0|2,0,0]=4 12199 B11R0.4 COCCCOCC(O)COC 34a_100000740835_100011215053 [0,2,0,0,0,0|2,0,0]=4 12200 B11R0.4 COCCCSCC(O)COC 62a_100000709357_100011215053 [0,2,0,0,0,0|2,0,0]=4 12201 B11R0.4 COCCCSCC(O)COC 62a_100011215053_100000709357 [0,2,0,0,0,0|2,0,0]=4 12202 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [0,2,0,0,0,0|1,0,1]=4 12203 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [0,2,0,0,0,0|1,0,1]=4 12204 B11R0.4 COCCOCCN(C)CCO 2230a_100000210263_100000695917 [0,2,0,0,0,0|2,0,0]=4 12205 B11R0.4 COCCOCCN(C)CCO 269982a_100000210263_100000695917 [0,2,0,0,0,0|2,0,0]=4 12206 B11R0.4 COCCOCN[C@H](C)CCO 2230a_100000706166_100000231047 [0,2,0,0,0,0|2,0,0]=4 12207 B11R0.4 COCCOCSC(C)CCO 62a_100000231047_100009893172 [0,2,0,0,0,0|2,0,0]=4 12208 B11R0.4 COCCOCSC(C)CCO 62a_100009893172_100000231047 [0,2,0,0,0,0|2,0,0]=4 12209 B11R0.4 COC[C@@H](C)NCCCCCF 2230a_100000764878_100000729378 [0,2,0,0,0,0|2,0,0]=4 12210 B11R0.4 COC[C@@H](C)NCCCCCO 2230a_100000764878_100000746330 [0,2,0,0,0,0|1,0,0]=3 12211 B11R0.4 COC[C@@H](C)NCCOCCO 2230a_100000764878_100011215305 [0,2,0,0,0,0|2,0,0]=4 12212 B11R0.4 COC[C@@H](C)OCCCCCF 34a_100011934205_100000729378 [0,2,0,0,0,0|2,0,0]=4 12213 B11R0.4 COC[C@@H](C)OCCCCCO 34a_100011934205_100000746330 [0,2,0,0,0,0|1,0,0]=3 12214 B11R0.4 COC[C@@H](C)OCCOCCO 34a_100011934205_100000692535 [0,2,0,0,0,0|2,0,0]=4 12215 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,2,0,0,0,0|1,0,1]=4 12216 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,2,0,0,0,0|0,0,1]=3 12217 B11R0.4 CSCC(=O)NCCCCCO 240690a_100000762737_100000184570 [0,2,0,0,0,0|1,0,1]=4 12218 B11R0.4 CSCC(C)NCCCCCO 270004a_100000762737_100011216314 [0,2,0,0,0,0|1,0,0]=3 12219 B11R0.4 CSCC(C)NCCOCCO 270004a_100000211614_100011216314 [0,2,0,0,0,0|2,0,0]=4 12220 B11R0.4 CSCC(C)NCCSCCO 270004a_100011219999_100011216314 [0,2,0,0,0,0|2,0,0]=4 12221 B11R0.4 CSCCCCOC(C)CCO 34a_100011217163_100009893172 [0,2,0,0,0,0|1,0,0]=3 12222 B11R0.4 CSCCCCOC(C)CCO 7a_100011217163_100009893172 [0,2,0,0,0,0|1,0,0]=3 12223 B11R0.4 C[C@@H](CC#N)NCCCCCO 2230a_100016994482_100000746330 [0,2,0,0,0,0|1,0,1]=4 12224 B11R0.4 C[C@H](CCO)NCCCCC#N 2230a_100000706166_100000211819 [0,2,0,0,0,0|1,0,1]=4 12225 B11R0.4 C[C@H](CCO)NCCCCC=O 2230a_100000706166_100000139335 [0,2,0,0,0,0|1,0,1]=4 12226 B11R0.4 C[C@H](CCO)NCCCCCF 2230a_100000706166_100000729378 [0,2,0,0,0,0|1,0,0]=3 12227 B11R0.4 C[C@H](CCO)NCCCCCF 34a_100000706166_100000729378 [0,2,0,0,0,0|1,0,0]=3 12228 B11R0.4 C[C@H](CCO)NCCCCCO 2230a_100000706166_100000746330 [0,2,0,0,0,0|1,0,0]=3 12229 B11R0.4 C[C@H](CCO)NCCCCCO 34a_100000706166_100000746330 [0,2,0,0,0,0|1,0,0]=3 12230 B11R0.4 C[C@H](CCO)NCCOCCO 2230a_100000706166_100011215305 [0,2,0,0,0,0|2,0,0]=4 12231 B11R0.4 C[C@H](CCO)NCCOCCO 34a_100000706166_100000692535 [0,2,0,0,0,0|2,0,0]=4 12232 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100011996774_100011214920 [0,2,0,0,0,0|0,0,2]=4 12233 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100051588842_100000766143 [0,2,0,0,0,0|0,0,2]=4 12234 B11R0.4 N#CCCCCCC(=O)CCO 1458a_100011216618_100009813376 [0,2,0,0,0,0|0,0,2]=4 12235 B11R0.4 N#CC[C@H](O)CNCCCCO 2230a_100000750430_100000001066 [0,2,0,0,0,0|1,0,1]=4 12236 B11R0.4 N#CC[C@H](O)CSCCCCO 62a_100000001066_100000210776 [0,2,0,0,0,0|1,0,1]=4 12237 B11R0.4 N#CC[C@H](O)CSCCCCO 62a_100000210776_100000001066 [0,2,0,0,0,0|1,0,1]=4 12238 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,2,0,0,0,0|0,0,1]=3 12239 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,2,0,0,0,0|0,0,1]=3 12240 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,2,0,0,0,0|0,0,1]=3 12241 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,2,0,0,0,0|0,0,1]=3 12242 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,2,0,0,0,0|1,0,1]=4 12243 B11R0.5 C=C(CCC)CC(=O)CCCO 1458a_100000138376_100011215043 [0,2,0,0,0,0|0,0,2]=4 12244 B11R0.5 CC(CCO)OC(C)CCCCl 34a_200000718107_100009893172 [0,2,0,0,0,0|2,0,0]=4 12245 B11R0.5 CC(CCO)OC(C)CCCCl 7a_200000718107_100009893172 [0,2,0,0,0,0|2,0,0]=4 12246 B11R0.5 CCCC(=O)CN(C)CCCO 2230a_100000213112_100000747444 [0,2,0,0,0,0|1,0,1]=4 12247 B11R0.5 CCCC(=O)CN(C)CCCO 269982a_100000213112_100000747444 [0,2,0,0,0,0|1,0,1]=4 12248 B11R0.5 CCCC(C)CC(=O)CCCF 1458a_100000748435_100011934791 [0,2,0,0,0,0|1,0,1]=4 12249 B11R0.5 CCCC(C)CC(=O)CCCO 1458a_100000748435_100011215043 [0,2,0,0,0,0|0,0,1]=3 12250 B11R0.5 CCCC(C)CC(=O)NCCO 240690a_100000210304_100000748435 [0,2,0,0,0,0|1,0,1]=4 12251 B11R0.5 CCCC(C)CC(=O)NCCO 527a_100000210304_100000748435 [0,2,0,0,0,0|1,0,1]=4 12252 B11R0.5 CCCC(C)CN(C)CCCO 2230a_100000213112_100011216630 [0,2,0,0,0,0|1,0,0]=3 12253 B11R0.5 CCCC(C)CN(C)CCCO 269982a_100000213112_100011216630 [0,2,0,0,0,0|1,0,0]=3 12254 B11R0.5 CCCC(C)CN(C)CCCO 270004a_100000213112_100000243154 [0,2,0,0,0,0|1,0,0]=3 12255 B11R0.5 CCCC(C)OC(C)CCCCl 34a_200000718107_100000766640 [0,2,0,0,0,0|2,0,0]=4 12256 B11R0.5 CCCC(C)OC(C)CCCCl 7a_200000718107_100000766640 [0,2,0,0,0,0|2,0,0]=4 12257 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [0,2,0,0,0,0|1,0,1]=4 12258 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [0,2,0,0,0,0|1,0,1]=4 12259 B11R0.5 CCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210183 [0,2,0,0,0,0|1,0,1]=4 12260 B11R0.5 CCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000210183 [0,2,0,0,0,0|1,0,1]=4 12261 B11R0.5 CCCCC(C)NC(=O)CCO 240690a_100000126638_100011216618 [0,2,0,0,0,0|1,0,1]=4 12262 B11R0.5 CCCCC(C)NC(C)CCC 2230a_100000126638_100000766640 [0,2,0,0,0,0|2,0,0]=4 12263 B11R0.5 CCCCC(C)NC(C)CCC 2230a_100000741246_200011215066 [0,2,0,0,0,0|2,0,0]=4 12264 B11R0.5 CCCCC(C)NC(C)CCC 270004a_100000126638_100000211909 [0,2,0,0,0,0|2,0,0]=4 12265 B11R0.5 CCCCC(C)NC(C)CCC 270004a_100000741246_100000210087 [0,2,0,0,0,0|2,0,0]=4 12266 B11R0.5 CCCCC(C)NC(C)CCO 2230a_100000126638_100009893172 [0,2,0,0,0,0|1,0,0]=3 12267 B11R0.5 CCCCC(C)N[C@H](C)CCO 2230a_100000706166_200011215066 [0,2,0,0,0,0|1,0,0]=3 12268 B11R0.5 CCCCC(C)N[C@H](C)CCO 270004a_100000706166_100000210087 [0,2,0,0,0,0|1,0,0]=3 12269 B11R0.5 CCCCC(C)N[C@H](C)CCO 34a_100000706166_200011215066 [0,2,0,0,0,0|1,0,0]=3 12270 B11R0.5 CCCCC(C)OC(C)CCBr 34a_100012276601_200011215066 [0,2,0,0,0,0|2,0,0]=4 12271 B11R0.5 CCCCC(C)OC(C)CCC 34a_100000687866_100000766640 [0,2,0,0,0,0|2,0,0]=4 12272 B11R0.5 CCCCC(C)OC(C)CCC 34a_100000764384_200011215066 [0,2,0,0,0,0|2,0,0]=4 12273 B11R0.5 CCCCC(C)OC(C)CCC 7a_100000687866_100000766640 [0,2,0,0,0,0|2,0,0]=4 12274 B11R0.5 CCCCC(C)OC(C)CCC 7a_100000764384_200011215066 [0,2,0,0,0,0|2,0,0]=4 12275 B11R0.5 CCCCC(C)OC(C)CCO 34a_100000687866_100009893172 [0,2,0,0,0,0|1,0,0]=3 12276 B11R0.5 CCCCC(C)OC(C)CCO 7a_100000687866_100009893172 [0,2,0,0,0,0|1,0,0]=3 12277 B11R0.5 CCCCC(C)SC(C)CCC 62a_100000766640_200011215066 [0,2,0,0,0,0|2,0,0]=4 12278 B11R0.5 CCCCC(C)SC(C)CCC 62a_200011215066_100000766640 [0,2,0,0,0,0|2,0,0]=4 12279 B11R0.5 CCCCC(C)SC(C)CCO 62a_100009893172_200011215066 [0,2,0,0,0,0|1,0,0]=3 12280 B11R0.5 CCCCC(C)SC(C)CCO 62a_200011215066_100009893172 [0,2,0,0,0,0|1,0,0]=3 12281 B11R0.5 CCCCN(C)CC(C)CCC 2230a_100000207549_100011216630 [0,2,0,0,0,0|2,0,0]=4 12282 B11R0.5 CCCCN(C)CC(C)CCC 269982a_100000207549_100011216630 [0,2,0,0,0,0|2,0,0]=4 12283 B11R0.5 CCCCN(C)CC(C)CCC 270004a_100000207549_100000243154 [0,2,0,0,0,0|2,0,0]=4 12284 B11R0.5 CCCS(=O)CC(=O)CCCO 1458a_100011387404_100011215043 [0,2,0,0,0,0|1,0,1]=4 12285 B11R0.5 CCOCC(C)OC(C)CCO 34a_100000718985_100009893172 [0,2,0,0,0,0|2,0,0]=4 12286 B11R0.5 CCOCC(C)OC(C)CCO 7a_100000718985_100009893172 [0,2,0,0,0,0|2,0,0]=4 12287 B11R0.5 CCSC(C)CC(=O)CCCO 1458a_200011311441_100011215043 [0,2,0,0,0,0|1,0,1]=4 12288 B11R0.5 CCSCC(C)N[C@H](C)CCO 270004a_100000706166_200011216171 [0,2,0,0,0,0|2,0,0]=4 12289 B11R0.5 COCC(O)CN(C)CCCO 2230a_100000739405_100000230001 [0,2,0,0,0,0|2,0,0]=4 12290 B11R0.5 COCC(O)CN(C)CCCO 269982a_100000739405_100011215043 [0,2,0,0,0,0|2,0,0]=4 12291 B11R0.5 COCCC(C)N[C@H](C)CCO 270004a_100000706166_100000742357 [0,2,0,0,0,0|2,0,0]=4 12292 B11R0.5 CSCCC(C)N[C@H](C)CCO 270004a_100000706166_100011217047 [0,2,0,0,0,0|2,0,0]=4 12293 B11R0.62 CC(CCN)COC(C)CCO 34a_106354213184_100009893172 [0,2,0,0,0,0|2,0,0]=4 12294 B11R0.62 CCCC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747444 [0,2,0,0,0,0|1,0,1]=4 12295 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100000747444_100009893172 [0,2,0,0,0,0|1,0,1]=4 12296 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100009893172_100000747444 [0,2,0,0,0,0|1,0,1]=4 12297 B11R0.62 CCCC(C)CCC(C)NCC 270004a_100015525214_200011216527 [0,2,0,0,0,0|2,0,0]=4 12298 B11R0.62 CCCC(C)CNC(C)CCC 2230a_100000741246_100011216630 [0,2,0,0,0,0|2,0,0]=4 12299 B11R0.62 CCCC(C)CNC(C)CCC 270004a_100000741246_100000243154 [0,2,0,0,0,0|2,0,0]=4 12300 B11R0.62 CCCC(C)CN[C@H](C)CCO 2230a_100000706166_100011216630 [0,2,0,0,0,0|1,0,0]=3 12301 B11R0.62 CCCC(C)CN[C@H](C)CCO 270004a_100000706166_100000243154 [0,2,0,0,0,0|1,0,0]=3 12302 B11R0.62 CCCC(C)CN[C@H](C)CCO 34a_100000706166_100011216630 [0,2,0,0,0,0|1,0,0]=3 12303 B11R0.62 CCCC(C)COC(C)CCBr 34a_100012276601_100011216630 [0,2,0,0,0,0|2,0,0]=4 12304 B11R0.62 CCCC(C)COC(C)CCC 34a_100000688023_100000766640 [0,2,0,0,0,0|2,0,0]=4 12305 B11R0.62 CCCC(C)COC(C)CCC 34a_100000764384_100011216630 [0,2,0,0,0,0|2,0,0]=4 12306 B11R0.62 CCCC(C)COC(C)CCC 7a_100000688023_100000766640 [0,2,0,0,0,0|2,0,0]=4 12307 B11R0.62 CCCC(C)COC(C)CCC 7a_100000764384_100011216630 [0,2,0,0,0,0|2,0,0]=4 12308 B11R0.62 CCCC(C)COC(C)CCO 34a_100000688023_100009893172 [0,2,0,0,0,0|1,0,0]=3 12309 B11R0.62 CCCC(C)COC(C)CCO 7a_100000688023_100009893172 [0,2,0,0,0,0|1,0,0]=3 12310 B11R0.62 CCCC(C)CSC(C)CCC 62a_100000766640_100011216630 [0,2,0,0,0,0|2,0,0]=4 12311 B11R0.62 CCCC(C)CSC(C)CCC 62a_100011216630_100000766640 [0,2,0,0,0,0|2,0,0]=4 12312 B11R0.62 CCCC(C)CSC(C)CCO 62a_100009893172_100011216630 [0,2,0,0,0,0|1,0,0]=3 12313 B11R0.62 CCCC(C)CSC(C)CCO 62a_100011216630_100009893172 [0,2,0,0,0,0|1,0,0]=3 12314 B11R0.62 CCCC(C)OCC(C)CCN 34a_106354213184_100000766640 [0,2,0,0,0,0|2,0,0]=4 12315 B11R0.62 CCCC(C)OC[C@@H](N)CCC 34a_100000732646_100000766640 [0,2,0,0,0,0|2,0,0]=4 12316 B11R0.62 CCC[C@H](N)COC(C)CCO 34a_100000732646_100009893172 [0,2,0,0,0,0|1,0,0]=3 12317 B11R0.62 COCC(N)COC(C)CCO 34a_100000724102_100009893172 [0,2,0,0,0,0|2,0,0]=4 12318 B11R0.62 COCC(O)CNC(C)CCO 2230a_100000756049_100009893172 [0,2,0,0,0,0|2,0,0]=4 12319 B11R0.62 COCC(O)CNC(C)CCO 34a_100000756049_100009893172 [0,2,0,0,0,0|2,0,0]=4 12320 B11R0.62 COCC(O)CN[C@H](C)CCO 34a_100000706166_100011215053 [0,2,0,0,0,0|2,0,0]=4 12321 B11R0.62 COCC(O)CSC(C)CCO 62a_100009893172_100011215053 [0,2,0,0,0,0|2,0,0]=4 12322 B11R0.62 COCC(O)CSC(C)CCO 62a_100011215053_100009893172 [0,2,0,0,0,0|2,0,0]=4 12323 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [0,2,0,0,0,0|1,0,1]=4 12324 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [0,2,0,0,0,0|1,0,1]=4 12325 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100000692101_100000746330 [0,2,0,0,0,0|0,0,2]=4 12326 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100102619762_100000753159 [0,2,0,0,0,0|0,0,2]=4 12327 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000210183_100010269958 [0,2,0,0,0,0|1,0,1]=4 12328 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000696528_100000210211 [0,2,0,0,0,0|1,0,1]=4 12329 B11R0.81 C#CCCCCC(=O)CCCO 1458a_100000696528_100011215043 [0,2,0,0,0,0|0,0,2]=4 12330 B11R0.81 C#CCCCCN(C)CCCC 2230a_100000207549_100010269958 [0,2,0,0,0,0|1,0,1]=4 12331 B11R0.81 C#CCCCCN(C)CCCC 269982a_100000207549_100010269958 [0,2,0,0,0,0|1,0,1]=4 12332 B11R0.81 C#CCCCCN(C)CCCO 2230a_100000213112_100010269958 [0,2,0,0,0,0|0,0,2]=4 12333 B11R0.81 C#CCCCCN(C)CCCO 269982a_100000213112_100010269958 [0,2,0,0,0,0|0,0,2]=4 12334 B11R0.81 C#CCCCNC(C)CCCC 2230a_100000126638_100000731252 [0,2,0,0,0,0|1,0,1]=4 12335 B11R0.81 C#CCCCNC(C)CCCC 270004a_100000718082_100000210087 [0,2,0,0,0,0|1,0,1]=4 12336 B11R0.81 C#CCCCNC(C)CCCC 34a_100000718082_200011215066 [0,2,0,0,0,0|1,0,1]=4 12337 B11R0.81 C#CCCCOC(C)CCCC 34a_100000215630_200011215066 [0,2,0,0,0,0|1,0,1]=4 12338 B11R0.81 C#CCCCOC(C)CCCC 34a_100000687866_100000695029 [0,2,0,0,0,0|1,0,1]=4 12339 B11R0.81 C#CCCCOC(C)CCCC 7a_100000215630_200011215066 [0,2,0,0,0,0|1,0,1]=4 12340 B11R0.81 C#CCCCOC(C)CCCC 7a_100000687866_100011215417 [0,2,0,0,0,0|1,0,1]=4 12341 B11R0.81 C#CCCCSC(C)CCCC 62a_100011215417_200011215066 [0,2,0,0,0,0|1,0,1]=4 12342 B11R0.81 C#CCCCSC(C)CCCC 62a_200011215066_100011215417 [0,2,0,0,0,0|1,0,1]=4 12343 B11R0.81 C#CCCN(C)CCCCCC 2230a_106256046315_100000688953 [0,2,0,0,0,0|1,0,1]=4 12344 B11R0.81 C#CCCN(C)CCCCCC 269982a_106256046315_100000730999 [0,2,0,0,0,0|1,0,1]=4 12345 B11R0.81 C#CCCN(C)CCCCCO 2230a_100000722520_100000688953 [0,2,0,0,0,0|0,0,2]=4 12346 B11R0.81 C#CCCN(C)CCCCCO 269982a_100000722520_100000730999 [0,2,0,0,0,0|0,0,2]=4 12347 B11R0.81 C#CCCNC[C@H](C)CCCO 2230a_100160569302_100000688953 [0,2,0,0,0,0|0,0,2]=4 12348 B11R0.81 C#CCCNC[C@H](C)CCCO 34a_100160569302_100000688953 [0,2,0,0,0,0|0,0,2]=4 12349 B11R0.81 C#CCCOCC(C)CCCC 34a_100011995851_100000688953 [0,2,0,0,0,0|1,0,1]=4 12350 B11R0.81 C#CCCOCC(C)CCCC 7a_100011995851_100000688953 [0,2,0,0,0,0|1,0,1]=4 12351 B11R0.81 C#CCCOC[C@@H](N)CCCC 34a_100011934283_100000688953 [0,2,0,0,0,0|1,0,1]=4 12352 B11R0.81 C#CCNC(C)CCCCCC 2230a_100000210919_100000038162 [0,2,0,0,0,0|1,0,1]=4 12353 B11R0.81 C#CCNC(C)CCCCCC 34a_100000210919_100000184674 [0,2,0,0,0,0|1,0,1]=4 12354 B11R0.81 C#CCNC(C)CCCCCC 34a_100000212058_100011215978 [0,2,0,0,0,0|1,0,1]=4 12355 B11R0.81 C#CCOC(C)CCCCCC 34a_100000210247_100011215978 [0,2,0,0,0,0|1,0,1]=4 12356 B11R0.81 C#CCOC(C)CCCCCC 34a_100000210265_100000184674 [0,2,0,0,0,0|1,0,1]=4 12357 B11R0.81 C#CCOC(C)CCCCCC 7a_100000210265_100000038162 [0,2,0,0,0,0|1,0,1]=4 12358 B11R0.81 C#CCSC(C)CCCCCC 62a_100000038162_100011215978 [0,2,0,0,0,0|1,0,1]=4 12359 B11R0.81 C/C=C/CC(=O)CCCCCO 1458a_100102619762_100102629194 [0,2,0,0,0,0|0,0,2]=4 12360 B11R0.81 C/C=C/CN(C)CCCCCO 269982a_100000722520_100102629194 [0,2,0,0,0,0|0,0,2]=4 12361 B11R0.81 C/C=C/CNC[C@H](C)CCCO 34a_100160569302_100102629194 [0,2,0,0,0,0|0,0,2]=4 12362 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,2,0,0,0,0|1,0,1]=4 12363 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,2,0,0,0,0|1,0,1]=4 12364 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [0,2,0,0,0,0|0,0,2]=4 12365 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [0,2,0,0,0,0|0,0,2]=4 12366 B11R0.81 C=CCCC(C)NCCCCC 270004a_100000209983_100000762624 [0,2,0,0,0,0|1,0,1]=4 12367 B11R0.81 C=CCCC(C)NCCCCO 270004a_100000750430_100000762624 [0,2,0,0,0,0|0,0,2]=4 12368 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [0,2,0,0,0,0|1,0,1]=4 12369 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [0,2,0,0,0,0|1,0,1]=4 12370 B11R0.81 C=CCCC(C)OCCCCO 34a_100000765329_100011216708 [0,2,0,0,0,0|0,0,2]=4 12371 B11R0.81 C=CCCC(C)OCCCCO 7a_100000765329_100000210776 [0,2,0,0,0,0|0,0,2]=4 12372 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [0,2,0,0,0,0|1,0,1]=4 12373 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [0,2,0,0,0,0|1,0,1]=4 12374 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [0,2,0,0,0,0|0,0,2]=4 12375 B11R0.81 C=CCCCCN(C)CCCC 2230a_100000207549_100011215482 [0,2,0,0,0,0|1,0,1]=4 12376 B11R0.81 C=CCCCCN(C)CCCC 2230a_100012000471_100000210211 [0,2,0,0,0,0|1,0,1]=4 12377 B11R0.81 C=CCCCCN(C)CCCC 269982a_100000207549_100011215482 [0,2,0,0,0,0|1,0,1]=4 12378 B11R0.81 C=CCCCCN(C)CCCC 269982a_100012000471_100000210211 [0,2,0,0,0,0|1,0,1]=4 12379 B11R0.81 C=CCCCCN(C)CCCO 2230a_100000213112_100011215482 [0,2,0,0,0,0|0,0,2]=4 12380 B11R0.81 C=CCCCCN(C)CCCO 2230a_100012000471_100000230001 [0,2,0,0,0,0|0,0,2]=4 12381 B11R0.81 C=CCCCCN(C)CCCO 269982a_100000213112_100011215482 [0,2,0,0,0,0|0,0,2]=4 12382 B11R0.81 C=CCCCCN(C)CCCO 269982a_100012000471_100011215043 [0,2,0,0,0,0|0,0,2]=4 12383 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000126638_100011713584 [0,2,0,0,0,0|1,0,1]=4 12384 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000700776_200011215066 [0,2,0,0,0,0|1,0,1]=4 12385 B11R0.81 C=CCCCNC(C)CCCC 270004a_100000700776_100000210087 [0,2,0,0,0,0|1,0,1]=4 12386 B11R0.81 C=CCCCNC(C)CCCC 34a_100000700776_200011215066 [0,2,0,0,0,0|1,0,1]=4 12387 B11R0.81 C=CCCCOC(C)CCCC 34a_100000687866_100000757094 [0,2,0,0,0,0|1,0,1]=4 12388 B11R0.81 C=CCCCOC(C)CCCC 34a_100000758997_200011215066 [0,2,0,0,0,0|1,0,1]=4 12389 B11R0.81 C=CCCCOC(C)CCCC 7a_100000687866_100000757094 [0,2,0,0,0,0|1,0,1]=4 12390 B11R0.81 C=CCCCOC(C)CCCC 7a_100000758997_200011215066 [0,2,0,0,0,0|1,0,1]=4 12391 B11R0.81 C=CCCCSC(C)CCCC 62a_100011713584_200011215066 [0,2,0,0,0,0|1,0,1]=4 12392 B11R0.81 C=CCCCSC(C)CCCC 62a_200011215066_100000757094 [0,2,0,0,0,0|1,0,1]=4 12393 B11R0.81 C=CCCN(C)CCCCCC 2230a_100020639649_100000210314 [0,2,0,0,0,0|1,0,1]=4 12394 B11R0.81 C=CCCN(C)CCCCCC 2230a_106256046315_100000754431 [0,2,0,0,0,0|1,0,1]=4 12395 B11R0.81 C=CCCN(C)CCCCCC 269982a_100020639649_100000210757 [0,2,0,0,0,0|1,0,1]=4 12396 B11R0.81 C=CCCN(C)CCCCCC 269982a_106256046315_100000754431 [0,2,0,0,0,0|1,0,1]=4 12397 B11R0.81 C=CCCN(C)CCCCCO 2230a_100000722520_100000754431 [0,2,0,0,0,0|0,0,2]=4 12398 B11R0.81 C=CCCN(C)CCCCCO 2230a_100020639649_100000746330 [0,2,0,0,0,0|0,0,2]=4 12399 B11R0.81 C=CCCN(C)CCCCCO 269982a_100000722520_100000754431 [0,2,0,0,0,0|0,0,2]=4 12400 B11R0.81 C=CCCN(C)CCCCCO 269982a_100020639649_100000746330 [0,2,0,0,0,0|0,0,2]=4 12401 B11R0.81 C=CCCNC[C@H](C)CCCO 2230a_100160569302_100000754431 [0,2,0,0,0,0|0,0,2]=4 12402 B11R0.81 C=CCCNC[C@H](C)CCCO 34a_100160569302_100000754431 [0,2,0,0,0,0|0,0,2]=4 12403 B11R0.81 C=CCCOCC(C)CCCC 34a_100011995851_100000754431 [0,2,0,0,0,0|1,0,1]=4 12404 B11R0.81 C=CCCOCC(C)CCCC 7a_100011995851_100000754431 [0,2,0,0,0,0|1,0,1]=4 12405 B11R0.81 C=CCCOC[C@@H](N)CCCC 34a_100011934283_100000754431 [0,2,0,0,0,0|1,0,1]=4 12406 B11R0.81 C=CCNC(C)CCCCCC 2230a_100000210919_100000210623 [0,2,0,0,0,0|1,0,1]=4 12407 B11R0.81 C=CCNC(C)CCCCCC 2230a_100020586998_100011215978 [0,2,0,0,0,0|1,0,1]=4 12408 B11R0.81 C=CCNC(C)CCCCCC 270004a_100020586998_100000210826 [0,2,0,0,0,0|1,0,1]=4 12409 B11R0.81 C=CCNC(C)CCCCCC 34a_100000210919_100015514636 [0,2,0,0,0,0|1,0,1]=4 12410 B11R0.81 C=CCOC(C)CCCCCC 34a_100000210265_100015514636 [0,2,0,0,0,0|1,0,1]=4 12411 B11R0.81 C=CCOC(C)CCCCCC 34a_200000210373_100011215978 [0,2,0,0,0,0|1,0,1]=4 12412 B11R0.81 C=CCOC(C)CCCCCC 7a_100000210265_100015514636 [0,2,0,0,0,0|1,0,1]=4 12413 B11R0.81 C=CCSC(C)CCCCCC 62a_100000210623_100011215978 [0,2,0,0,0,0|1,0,1]=4 12414 B11R0.81 C=CCSC(C)CCCCCC 62a_100011215978_100000210623 [0,2,0,0,0,0|1,0,1]=4 12415 B11R0.81 CC#CCC(=O)CCCCCO 1458a_100102619762_100000748600 [0,2,0,0,0,0|0,0,2]=4 12416 B11R0.81 CC#CCN(C)CCCCCO 2230a_100000722520_100000748600 [0,2,0,0,0,0|0,0,2]=4 12417 B11R0.81 CC#CCNC[C@H](C)CCCO 2230a_100160569302_100000748600 [0,2,0,0,0,0|0,0,2]=4 12418 B11R0.81 CC#CCNC[C@H](C)CCCO 34a_100160569302_100000748600 [0,2,0,0,0,0|0,0,2]=4 12419 B11R0.81 CC(CCCCl)OCCCCF 34a_200000718107_100000729493 [0,2,0,0,0,0|2,0,0]=4 12420 B11R0.81 CC(CCCCl)OCCCCF 7a_200000718107_100000729493 [0,2,0,0,0,0|2,0,0]=4 12421 B11R0.81 CC(CCCCl)OCCCCO 34a_200000718107_100011216708 [0,2,0,0,0,0|1,0,0]=3 12422 B11R0.81 CC(CCCCl)OCCCCO 7a_200000718107_100000210776 [0,2,0,0,0,0|1,0,0]=3 12423 B11R0.81 CC/C=C\CCN(C)CCCO 2230a_100000213112_100015370543 [0,2,0,0,0,0|0,0,2]=4 12424 B11R0.81 CC/C=C\CCN(C)CCCO 269982a_100000213112_100015370543 [0,2,0,0,0,0|0,0,2]=4 12425 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100102619762_100000070051 [0,2,0,0,0,0|0,0,2]=4 12426 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100121576822_100000746330 [0,2,0,0,0,0|0,0,2]=4 12427 B11R0.81 CC=CCN(C)CCCCCO 2230a_100000722520_100000070051 [0,2,0,0,0,0|0,0,2]=4 12428 B11R0.81 CC=CCNC[C@H](C)CCCO 2230a_100160569302_100000070051 [0,2,0,0,0,0|0,0,2]=4 12429 B11R0.81 CC=CCNC[C@H](C)CCCO 34a_100160569302_100000070051 [0,2,0,0,0,0|0,0,2]=4 12430 B11R0.81 CCC#CC(=O)CCCCCO 1458a_100011827653_100000746330 [0,2,0,0,0,0|0,0,2]=4 12431 B11R0.81 CCC#CC(C)OCCCCO 34a_100000033903_100011216708 [0,2,0,0,0,0|0,0,2]=4 12432 B11R0.81 CCC#CC(C)OCCCCO 7a_100000033903_100000210776 [0,2,0,0,0,0|0,0,2]=4 12433 B11R0.81 CCC/C=C/CC(=O)CCCO 1458a_200016266809_100011215043 [0,2,0,0,0,0|0,0,2]=4 12434 B11R0.81 CCC=CC(=O)CCCCCO 1458a_100000212282_100000746330 [0,2,0,0,0,0|0,0,2]=4 12435 B11R0.81 CCCCC(=O)CCCCC#N 1458a_100000210183_100000211819 [0,2,0,0,0,0|1,0,1]=4 12436 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,2,0,0,0,0|1,0,0]=3 12437 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,2,0,0,0,0|0,0,0]=2 12438 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,2,0,0,0,0|0,0,0]=2 12439 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,2,0,0,0,0|0,0,1]=3 12440 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [0,2,0,0,0,0|1,0,1]=4 12441 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [0,2,0,0,0,0|1,0,1]=4 12442 B11R0.81 CCCCC(=O)CCOCCO 1458a_100000210183_100011215305 [0,2,0,0,0,0|0,0,1]=3 12443 B11R0.81 CCCCC(=O)CCOCCO 1458a_100011229844_100000210211 [0,2,0,0,0,0|0,0,1]=3 12444 B11R0.81 CCCCC(=O)COCCOC 1458a_100000211095_100000210211 [0,2,0,0,0,0|1,0,1]=4 12445 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [0,2,0,0,0,0|0,0,1]=3 12446 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [0,2,0,0,0,0|0,0,1]=3 12447 B11R0.81 CCCCC(=O)NCCCOC 1626a_100150723488_100000210183 [0,2,0,0,0,0|1,0,1]=4 12448 B11R0.81 CCCCC(=O)NCCCOC 240690a_100150723488_100000210183 [0,2,0,0,0,0|1,0,1]=4 12449 B11R0.81 CCCCC(=O)NCCCOC 527a_100150723488_100000210183 [0,2,0,0,0,0|1,0,1]=4 12450 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [0,2,0,0,0,0|0,0,0]=2 12451 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [0,2,0,0,0,0|0,0,0]=2 12452 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [0,2,0,0,0,0|0,0,0]=2 12453 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [0,2,0,0,0,0|0,0,0]=2 12454 B11R0.81 CCCCC(C)COCCC#N 7a_100011995851_100000184422 [0,2,0,0,0,0|1,0,1]=4 12455 B11R0.81 CCCCC(C)COCCCF 34a_100011995851_100011934791 [0,2,0,0,0,0|1,0,0]=3 12456 B11R0.81 CCCCC(C)COCCCF 7a_100011995851_100011934791 [0,2,0,0,0,0|1,0,0]=3 12457 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [0,2,0,0,0,0|0,0,0]=2 12458 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [0,2,0,0,0,0|0,0,0]=2 12459 B11R0.81 CCCCC(C)COCCOC 34a_100011995851_100011201679 [0,2,0,0,0,0|1,0,0]=3 12460 B11R0.81 CCCCC(C)COCCOC 7a_100011995851_100000233755 [0,2,0,0,0,0|1,0,0]=3 12461 B11R0.81 CCCCC(C)COCCSC 34a_100011995851_100000212216 [0,2,0,0,0,0|1,1,0]=4 12462 B11R0.81 CCCCC(C)COCCSC 7a_100011995851_100000212216 [0,2,0,0,0,0|1,1,0]=4 12463 B11R0.81 CCCCC(C)NCC#CCO 2230a_100000126638_200000047223 [0,2,0,0,0,0|0,0,2]=4 12464 B11R0.81 CCCCC(C)NCCCC#N 2230a_100000126638_100000687738 [0,2,0,0,0,0|1,0,1]=4 12465 B11R0.81 CCCCC(C)NCCCC=O 2230a_100000126638_200011292268 [0,2,0,0,0,0|0,0,2]=4 12466 B11R0.81 CCCCC(C)NCCCCF 2230a_100000126638_100000729493 [0,2,0,0,0,0|1,0,0]=3 12467 B11R0.81 CCCCC(C)NCCCCO 2230a_100000126638_100000210776 [0,2,0,0,0,0|0,0,0]=2 12468 B11R0.81 CCCCC(C)NCCCCO 2230a_100000750430_200011215066 [0,2,0,0,0,0|0,0,0]=2 12469 B11R0.81 CCCCC(C)NCCCCO 270004a_100000750430_100000210087 [0,2,0,0,0,0|0,0,0]=2 12470 B11R0.81 CCCCC(C)NCCCCO 34a_100000750430_200011215066 [0,2,0,0,0,0|0,0,0]=2 12471 B11R0.81 CCCCC(C)NCCCOC 2230a_100000126638_100000740836 [0,2,0,0,0,0|1,0,0]=3 12472 B11R0.81 CCCCC(C)NCCCOC 270004a_100150723488_100000210087 [0,2,0,0,0,0|1,0,0]=3 12473 B11R0.81 CCCCC(C)NCCCOC 34a_100150723488_200011215066 [0,2,0,0,0,0|1,0,0]=3 12474 B11R0.81 CCCCC(C)NCCCSC 2230a_100000749238_200011215066 [0,2,0,0,0,0|1,1,0]=4 12475 B11R0.81 CCCCC(C)NCCCSC 270004a_100000749238_100000210087 [0,2,0,0,0,0|1,1,0]=4 12476 B11R0.81 CCCCC(C)NCCOCC 2230a_100000126638_100011215890 [0,2,0,0,0,0|2,0,0]=4 12477 B11R0.81 CCCCC(C)NCCOCC 2230a_102516460346_200011215066 [0,2,0,0,0,0|2,0,0]=4 12478 B11R0.81 CCCCC(C)NCCOCC 270004a_102516460346_100000210087 [0,2,0,0,0,0|2,0,0]=4 12479 B11R0.81 CCCCC(C)NCCOCC 34a_102516460346_200011215066 [0,2,0,0,0,0|2,0,0]=4 12480 B11R0.81 CCCCC(C)NCCSCC 2230a_100000106463_200011215066 [0,2,0,0,0,0|2,0,0]=4 12481 B11R0.81 CCCCC(C)NCCSCC 2230a_100000126638_100000757381 [0,2,0,0,0,0|2,0,0]=4 12482 B11R0.81 CCCCC(C)NCCSCC 270004a_100000106463_100000210087 [0,2,0,0,0,0|2,0,0]=4 12483 B11R0.81 CCCCC(C)OCC#CCO 34a_100000687866_200000047223 [0,2,0,0,0,0|0,0,2]=4 12484 B11R0.81 CCCCC(C)OCC#CCO 7a_100000687866_200000047223 [0,2,0,0,0,0|0,0,2]=4 12485 B11R0.81 CCCCC(C)OCCCC#N 7a_100000687866_100000687738 [0,2,0,0,0,0|1,0,1]=4 12486 B11R0.81 CCCCC(C)OCCCC=O 7a_100000687866_200011292268 [0,2,0,0,0,0|0,0,2]=4 12487 B11R0.81 CCCCC(C)OCCCCBr 34a_100011216708_200011215066 [0,2,0,0,0,0|1,0,0]=3 12488 B11R0.81 CCCCC(C)OCCCCCl 34a_100000210776_200011215066 [0,2,0,0,0,0|1,0,0]=3 12489 B11R0.81 CCCCC(C)OCCCCCl 7a_100000210776_200011215066 [0,2,0,0,0,0|1,0,0]=3 12490 B11R0.81 CCCCC(C)OCCCCF 34a_100000687866_100000729493 [0,2,0,0,0,0|1,0,0]=3 12491 B11R0.81 CCCCC(C)OCCCCF 34a_100011995726_200011215066 [0,2,0,0,0,0|1,0,0]=3 12492 B11R0.81 CCCCC(C)OCCCCF 7a_100000687866_100000729493 [0,2,0,0,0,0|1,0,0]=3 12493 B11R0.81 CCCCC(C)OCCCCF 7a_100011995726_200011215066 [0,2,0,0,0,0|1,0,0]=3 12494 B11R0.81 CCCCC(C)OCCCCI 34a_200012148704_200011215066 [0,2,0,0,0,0|1,0,0]=3 12495 B11R0.81 CCCCC(C)OCCCCN 34a_100000750430_200011215066 [0,2,0,0,0,0|1,0,0]=3 12496 B11R0.81 CCCCC(C)OCCCCO 34a_100000687866_100011216708 [0,2,0,0,0,0|0,0,0]=2 12497 B11R0.81 CCCCC(C)OCCCCO 7a_100000687866_100000210776 [0,2,0,0,0,0|0,0,0]=2 12498 B11R0.81 CCCCC(C)OCCCNC 34a_100000213112_200011215066 [0,2,0,0,0,0|2,0,0]=4 12499 B11R0.81 CCCCC(C)OCCCOC 34a_100000687866_100000740836 [0,2,0,0,0,0|1,0,0]=3 12500 B11R0.81 CCCCC(C)OCCCOC 34a_100000740835_200011215066 [0,2,0,0,0,0|1,0,0]=3 12501 B11R0.81 CCCCC(C)OCCCOC 7a_100000687866_100000740836 [0,2,0,0,0,0|1,0,0]=3 12502 B11R0.81 CCCCC(C)OCCCSC 34a_100000690336_200011215066 [0,2,0,0,0,0|1,1,0]=4 12503 B11R0.81 CCCCC(C)OCCCSC 7a_100000690336_200011215066 [0,2,0,0,0,0|1,1,0]=4 12504 B11R0.81 CCCCC(C)OCCOCC 34a_100000210136_200011215066 [0,2,0,0,0,0|2,0,0]=4 12505 B11R0.81 CCCCC(C)OCCOCC 34a_100000687866_100000210147 [0,2,0,0,0,0|2,0,0]=4 12506 B11R0.81 CCCCC(C)OCCOCC 7a_100000210136_200011215066 [0,2,0,0,0,0|2,0,0]=4 12507 B11R0.81 CCCCC(C)OCCOCC 7a_100000687866_100011215890 [0,2,0,0,0,0|2,0,0]=4 12508 B11R0.81 CCCCC(C)OCCSCC 34a_100000212035_200011215066 [0,2,0,0,0,0|2,0,0]=4 12509 B11R0.81 CCCCC(C)OCCSCC 34a_100000687866_100000757381 [0,2,0,0,0,0|2,0,0]=4 12510 B11R0.81 CCCCC(C)OCCSCC 7a_100000212035_200011215066 [0,2,0,0,0,0|2,0,0]=4 12511 B11R0.81 CCCCC(C)OCCSCC 7a_100000687866_100000757381 [0,2,0,0,0,0|2,0,0]=4 12512 B11R0.81 CCCCC(C)SCC#CCO 62a_200000047223_200011215066 [0,2,0,0,0,0|0,0,2]=4 12513 B11R0.81 CCCCC(C)SCC#CCO 62a_200011215066_200000047223 [0,2,0,0,0,0|0,0,2]=4 12514 B11R0.81 CCCCC(C)SCCCC#N 62a_100000687738_200011215066 [0,2,0,0,0,0|1,0,1]=4 12515 B11R0.81 CCCCC(C)SCCCC#N 62a_200011215066_100000687738 [0,2,0,0,0,0|1,0,1]=4 12516 B11R0.81 CCCCC(C)SCCCC=O 62a_200011215066_200011292268 [0,2,0,0,0,0|0,0,2]=4 12517 B11R0.81 CCCCC(C)SCCCC=O 62a_200011292268_200011215066 [0,2,0,0,0,0|0,0,2]=4 12518 B11R0.81 CCCCC(C)SCCCCF 62a_100000729493_200011215066 [0,2,0,0,0,0|1,0,0]=3 12519 B11R0.81 CCCCC(C)SCCCCF 62a_200011215066_100000729493 [0,2,0,0,0,0|1,0,0]=3 12520 B11R0.81 CCCCC(C)SCCCCO 62a_100000210776_200011215066 [0,2,0,0,0,0|0,0,0]=2 12521 B11R0.81 CCCCC(C)SCCCCO 62a_200011215066_100000210776 [0,2,0,0,0,0|0,0,0]=2 12522 B11R0.81 CCCCC(C)SCCCOC 62a_100000709357_200011215066 [0,2,0,0,0,0|1,0,0]=3 12523 B11R0.81 CCCCC(C)SCCCOC 62a_200011215066_100000709357 [0,2,0,0,0,0|1,0,0]=3 12524 B11R0.81 CCCCC(C)SCCOCC 62a_100000210147_200011215066 [0,2,0,0,0,0|2,0,0]=4 12525 B11R0.81 CCCCC(C)SCCOCC 62a_200011215066_100011215890 [0,2,0,0,0,0|2,0,0]=4 12526 B11R0.81 CCCCC(C)SCCSCC 62a_100000757381_200011215066 [0,2,0,0,0,0|2,0,0]=4 12527 B11R0.81 CCCCC(C)SCCSCC 62a_200011215066_100000757381 [0,2,0,0,0,0|2,0,0]=4 12528 B11R0.81 CCCCC=CC(=O)CCCO 1458a_100016266645_100011215043 [0,2,0,0,0,0|0,0,2]=4 12529 B11R0.81 CCCCCCC(=O)C#CCO 1458a_100000049017_100000210757 [0,2,0,0,0,0|0,0,2]=4 12530 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [0,2,0,0,0,0|1,0,1]=4 12531 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [0,2,0,0,0,0|1,0,1]=4 12532 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,2,0,0,0,0|1,0,0]=3 12533 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,2,0,0,0,0|1,0,0]=3 12534 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,2,0,0,0,0|1,0,0]=3 12535 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,2,0,0,0,0|0,0,0]=2 12536 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,2,0,0,0,0|0,0,1]=3 12537 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,2,0,0,0,0|0,0,1]=3 12538 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,2,0,0,0,0|0,1,1]=4 12539 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,2,0,0,0,0|0,1,1]=4 12540 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,2,0,0,0,0|1,0,1]=4 12541 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [0,2,0,0,0,0|1,0,1]=4 12542 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 12543 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 12544 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 12545 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 12546 B11R0.81 CCCCCCC(=O)NCCF 11a_100000724931_100102632555 [0,2,0,0,0,0|1,0,1]=4 12547 B11R0.81 CCCCCCC(=O)NCCF 1626a_100000724931_100102632555 [0,2,0,0,0,0|1,0,1]=4 12548 B11R0.81 CCCCCCC(=O)NCCF 240690a_100000724931_100102632555 [0,2,0,0,0,0|1,0,1]=4 12549 B11R0.81 CCCCCCC(=O)NCCF 527a_100000724931_100102632555 [0,2,0,0,0,0|1,0,1]=4 12550 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [0,2,0,0,0,0|0,0,1]=3 12551 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [0,2,0,0,0,0|0,0,1]=3 12552 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [0,2,0,0,0,0|0,0,0]=2 12553 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [0,2,0,0,0,0|0,0,0]=2 12554 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [0,2,0,0,0,0|0,0,0]=2 12555 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [0,2,0,0,0,0|0,0,0]=2 12556 B11R0.81 CCCCCCC(C)NCC#N 2230a_100000210919_100011215382 [0,2,0,0,0,0|1,0,1]=4 12557 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [0,2,0,0,0,0|0,0,2]=4 12558 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [0,2,0,0,0,0|0,0,2]=4 12559 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [0,2,0,0,0,0|1,0,0]=3 12560 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [0,2,0,0,0,0|1,0,0]=3 12561 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [0,2,0,0,0,0|1,0,0]=3 12562 B11R0.81 CCCCCCC(C)NCCF 2230a_100000210919_100011217306 [0,2,0,0,0,0|1,0,0]=3 12563 B11R0.81 CCCCCCC(C)NCCF 34a_100000210919_100011217306 [0,2,0,0,0,0|1,0,0]=3 12564 B11R0.81 CCCCCCC(C)NCCF 34a_100000724931_100011215978 [0,2,0,0,0,0|1,0,0]=3 12565 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [0,2,0,0,0,0|0,0,0]=2 12566 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [0,2,0,0,0,0|0,0,0]=2 12567 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [0,2,0,0,0,0|0,0,0]=2 12568 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [0,2,0,0,0,0|0,0,0]=2 12569 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [0,2,0,0,0,0|0,0,0]=2 12570 B11R0.81 CCCCCCC(C)NCOC 2230a_100000210919_100000766300 [0,2,0,0,0,0|1,0,0]=3 12571 B11R0.81 CCCCCCC(C)NCSC 2230a_100000210919_100011218213 [0,2,0,0,0,0|1,1,0]=4 12572 B11R0.81 CCCCCCC(C)NCSC 34a_100000210919_100011218213 [0,2,0,0,0,0|1,1,0]=4 12573 B11R0.81 CCCCCCC(C)OCC#N 7a_100000210265_100011215382 [0,2,0,0,0,0|1,0,1]=4 12574 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [0,2,0,0,0,0|0,0,2]=4 12575 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [0,2,0,0,0,0|0,0,2]=4 12576 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [0,2,0,0,0,0|1,0,0]=3 12577 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [0,2,0,0,0,0|1,0,0]=3 12578 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [0,2,0,0,0,0|1,0,0]=3 12579 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [0,2,0,0,0,0|1,0,0]=3 12580 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [0,2,0,0,0,0|1,0,0]=3 12581 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [0,2,0,0,0,0|1,0,0]=3 12582 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [0,2,0,0,0,0|1,0,0]=3 12583 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [0,2,0,0,0,0|0,0,0]=2 12584 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [0,2,0,0,0,0|0,0,0]=2 12585 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [0,2,0,0,0,0|1,1,0]=4 12586 B11R0.81 CCCCCCC(C)SCC#N 62a_100011215382_100011215978 [0,2,0,0,0,0|1,0,1]=4 12587 B11R0.81 CCCCCCC(C)SCC#N 62a_100011215978_100011215382 [0,2,0,0,0,0|1,0,1]=4 12588 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [0,2,0,0,0,0|0,0,2]=4 12589 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [0,2,0,0,0,0|0,0,2]=4 12590 B11R0.81 CCCCCCC(C)SCCC 62a_100000210303_100011215978 [0,2,0,0,0,0|1,0,0]=3 12591 B11R0.81 CCCCCCC(C)SCCC 62a_100011215978_100000210303 [0,2,0,0,0,0|1,0,0]=3 12592 B11R0.81 CCCCCCC(C)SCCF 62a_100011215978_100011217306 [0,2,0,0,0,0|1,0,0]=3 12593 B11R0.81 CCCCCCC(C)SCCF 62a_100011217306_100011215978 [0,2,0,0,0,0|1,0,0]=3 12594 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [0,2,0,0,0,0|0,0,0]=2 12595 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [0,2,0,0,0,0|0,0,0]=2 12596 B11R0.81 CCCCCCC(C)SCOC 62a_100000766300_100011215978 [0,2,0,0,0,0|1,0,0]=3 12597 B11R0.81 CCCCCCC(C)SCOC 62a_100011215978_100000766300 [0,2,0,0,0,0|1,0,0]=3 12598 B11R0.81 CCCCCCC(C)SCSC 62a_100011215978_100011218213 [0,2,0,0,0,0|1,1,0]=4 12599 B11R0.81 CCCCCCC(C)SCSC 62a_100011218213_100011215978 [0,2,0,0,0,0|1,1,0]=4 12600 B11R0.81 CCCCCCN(C)CCC#N 2230a_100000184479_100000210314 [0,2,0,0,0,0|1,0,1]=4 12601 B11R0.81 CCCCCCN(C)CCC#N 2230a_106256046315_100011215226 [0,2,0,0,0,0|1,0,1]=4 12602 B11R0.81 CCCCCCN(C)CCC#N 2230a_200000177771_200000210301 [0,2,0,0,0,0|1,0,1]=4 12603 B11R0.81 CCCCCCN(C)CCC#N 269982a_106256046315_100011215226 [0,2,0,0,0,0|1,0,1]=4 12604 B11R0.81 CCCCCCN(C)CCCC 2230a_100000207549_100000210314 [0,2,0,0,0,0|1,0,0]=3 12605 B11R0.81 CCCCCCN(C)CCCC 2230a_106256046315_100000210211 [0,2,0,0,0,0|1,0,0]=3 12606 B11R0.81 CCCCCCN(C)CCCC 2230a_200000207677_200000210301 [0,2,0,0,0,0|1,0,0]=3 12607 B11R0.81 CCCCCCN(C)CCCC 269982a_100000207549_100000210757 [0,2,0,0,0,0|1,0,0]=3 12608 B11R0.81 CCCCCCN(C)CCCC 269982a_106256046315_100000210211 [0,2,0,0,0,0|1,0,0]=3 12609 B11R0.81 CCCCCCN(C)CCCC 269982a_200000207677_200000210301 [0,2,0,0,0,0|1,0,0]=3 12610 B11R0.81 CCCCCCN(C)CCCF 2230a_106256046315_100011934791 [0,2,0,0,0,0|1,0,0]=3 12611 B11R0.81 CCCCCCN(C)CCCF 269982a_106256046315_100011934791 [0,2,0,0,0,0|1,0,0]=3 12612 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [0,2,0,0,0,0|0,0,0]=2 12613 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [0,2,0,0,0,0|0,0,0]=2 12614 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [0,2,0,0,0,0|0,0,0]=2 12615 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [0,2,0,0,0,0|0,0,0]=2 12616 B11R0.81 CCCCCCN(C)CCOC 2230a_100000743101_100000210314 [0,2,0,0,0,0|1,0,0]=3 12617 B11R0.81 CCCCCCN(C)CCOC 2230a_106256046315_100011201679 [0,2,0,0,0,0|1,0,0]=3 12618 B11R0.81 CCCCCCN(C)CCOC 269982a_100000743101_100000210757 [0,2,0,0,0,0|1,0,0]=3 12619 B11R0.81 CCCCCCN(C)CCOC 269982a_106256046315_100000233755 [0,2,0,0,0,0|1,0,0]=3 12620 B11R0.81 CCCCCCN(C)CCSC 2230a_100000686725_100000210314 [0,2,0,0,0,0|1,1,0]=4 12621 B11R0.81 CCCCCCN(C)CCSC 2230a_106256046315_100000751147 [0,2,0,0,0,0|1,1,0]=4 12622 B11R0.81 CCCCCCN(C)CCSC 269982a_100000686725_100000210757 [0,2,0,0,0,0|1,1,0]=4 12623 B11R0.81 CCCCCCN(C)CCSC 269982a_106256046315_100000212216 [0,2,0,0,0,0|1,1,0]=4 12624 B11R0.81 CCCCCCN(C)COCC 269982a_106256046315_100000739092 [0,2,0,0,0,0|2,0,0]=4 12625 B11R0.81 CCCCCCN([13CH3])CCC#N 2230a_200000177771_200025704644 [0,2,0,0,0,0|1,0,1]=4 12626 B11R0.81 CCCCCCN([13CH3])CCCC 2230a_200000207677_200025704644 [0,2,0,0,0,0|1,0,0]=3 12627 B11R0.81 CCCCCCN([13CH3])CCCC 269982a_200000207677_200025704644 [0,2,0,0,0,0|1,0,0]=3 12628 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [0,2,0,0,0,0|1,0,1]=4 12629 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [0,2,0,0,0,0|1,0,1]=4 12630 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [0,2,0,0,0,0|1,0,1]=4 12631 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [0,2,0,0,0,0|1,0,1]=4 12632 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [0,2,0,0,0,0|1,0,1]=4 12633 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [0,2,0,0,0,0|1,0,1]=4 12634 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [0,2,0,0,0,0|1,0,1]=4 12635 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [0,2,0,0,0,0|1,0,1]=4 12636 B11R0.81 CCCCCNC(=O)NCCO 2708a_100000209983_100000210304 [0,2,0,0,0,0|1,0,1]=4 12637 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000209983_100000210304 [0,2,0,0,0,0|1,0,1]=4 12638 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000210304_100000209983 [0,2,0,0,0,0|1,0,1]=4 12639 B11R0.81 CCCCCNC(=O)NCCO 512a_100000209983_100000210304 [0,2,0,0,0,0|1,0,1]=4 12640 B11R0.81 CCCCCNC(C)CCCC 2230a_100000126638_100000210326 [0,2,0,0,0,0|1,0,0]=3 12641 B11R0.81 CCCCCNC(C)CCCC 2230a_100000209983_200011215066 [0,2,0,0,0,0|1,0,0]=3 12642 B11R0.81 CCCCCNC(C)CCCC 270004a_100000209983_100000210087 [0,2,0,0,0,0|1,0,0]=3 12643 B11R0.81 CCCCCNC(C)CCOC 270004a_100000209983_100000742357 [0,2,0,0,0,0|1,0,0]=3 12644 B11R0.81 CCCCCNC(C)CCSC 270004a_100000209983_100011217047 [0,2,0,0,0,0|1,1,0]=4 12645 B11R0.81 CCCCCNC(C)CSCC 270004a_100000209983_200011216171 [0,2,0,0,0,0|2,0,0]=4 12646 B11R0.81 CCCCCOC(C)CCCC 34a_100000210253_200011215066 [0,2,0,0,0,0|1,0,0]=3 12647 B11R0.81 CCCCCOC(C)CCCC 34a_100000687866_100000718602 [0,2,0,0,0,0|1,0,0]=3 12648 B11R0.81 CCCCCOC(C)CCCC 7a_100000210253_200011215066 [0,2,0,0,0,0|1,0,0]=3 12649 B11R0.81 CCCCCOC(C)CCCC 7a_100000687866_100000210326 [0,2,0,0,0,0|1,0,0]=3 12650 B11R0.81 CCCCCOC(C)CCCCl 34a_200000718107_100000718602 [0,2,0,0,0,0|1,0,0]=3 12651 B11R0.81 CCCCCOC(C)CCCCl 7a_200000718107_100000210326 [0,2,0,0,0,0|1,0,0]=3 12652 B11R0.81 CCCCCOC(C)COCC 34a_100000718985_100000718602 [0,2,0,0,0,0|2,0,0]=4 12653 B11R0.81 CCCCCOC(C)COCC 7a_100000718985_100000210326 [0,2,0,0,0,0|2,0,0]=4 12654 B11R0.81 CCCCCSC(C)CCCC 62a_100000210326_200011215066 [0,2,0,0,0,0|1,0,0]=3 12655 B11R0.81 CCCCCSC(C)CCCC 62a_200011215066_100000210326 [0,2,0,0,0,0|1,0,0]=3 12656 B11R0.81 CCCCN(C)CCCCC#N 2230a_100000207549_100000211819 [0,2,0,0,0,0|1,0,1]=4 12657 B11R0.81 CCCCN(C)CCCCC#N 269982a_100000207549_100011219923 [0,2,0,0,0,0|1,0,1]=4 12658 B11R0.81 CCCCN(C)CCCCC=O 2230a_100000207549_100000139335 [0,2,0,0,0,0|0,0,2]=4 12659 B11R0.81 CCCCN(C)CCCCC=O 269982a_100000207549_100000139335 [0,2,0,0,0,0|0,0,2]=4 12660 B11R0.81 CCCCN(C)CCCCCF 2230a_100000207549_100000729378 [0,2,0,0,0,0|1,0,0]=3 12661 B11R0.81 CCCCN(C)CCCCCF 269982a_100000207549_100000729378 [0,2,0,0,0,0|1,0,0]=3 12662 B11R0.81 CCCCN(C)CCCCCO 2230a_100000207549_100000746330 [0,2,0,0,0,0|0,0,0]=2 12663 B11R0.81 CCCCN(C)CCCCCO 2230a_100000722520_100000210211 [0,2,0,0,0,0|0,0,0]=2 12664 B11R0.81 CCCCN(C)CCCCCO 269982a_100000207549_100000746330 [0,2,0,0,0,0|0,0,0]=2 12665 B11R0.81 CCCCN(C)CCCCCO 269982a_100000722520_100000210211 [0,2,0,0,0,0|0,0,0]=2 12666 B11R0.81 CCCCN(C)CCCCOC 2230a_100000207549_100000730899 [0,2,0,0,0,0|1,0,0]=3 12667 B11R0.81 CCCCN(C)CCCCOC 269982a_100000207549_100000730899 [0,2,0,0,0,0|1,0,0]=3 12668 B11R0.81 CCCCN(C)CCCOCC 2230a_100000207549_100012232248 [0,2,0,0,0,0|2,0,0]=4 12669 B11R0.81 CCCCN(C)CCCOCC 269982a_100000207549_100012232248 [0,2,0,0,0,0|2,0,0]=4 12670 B11R0.81 CCCCN(C)CCOCCC 2230a_100000207549_100011215938 [0,2,0,0,0,0|2,0,0]=4 12671 B11R0.81 CCCCN(C)CCOCCC 269982a_100000207549_100011215938 [0,2,0,0,0,0|2,0,0]=4 12672 B11R0.81 CCCCN(C)CCOCCO 2230a_100000207549_100011215305 [0,2,0,0,0,0|1,0,0]=3 12673 B11R0.81 CCCCN(C)CCOCCO 2230a_100000228057_100000210211 [0,2,0,0,0,0|1,0,0]=3 12674 B11R0.81 CCCCN(C)CCOCCO 269982a_100000207549_100011215305 [0,2,0,0,0,0|1,0,0]=3 12675 B11R0.81 CCCCN(C)CCOCCO 269982a_100000228057_100000210211 [0,2,0,0,0,0|1,0,0]=3 12676 B11R0.81 CCCCN(C)COCCOC 2230a_100000207549_100000231047 [0,2,0,0,0,0|2,0,0]=4 12677 B11R0.81 CCCCN(C)COCCOC 269982a_100000207549_100000231047 [0,2,0,0,0,0|2,0,0]=4 12678 B11R0.81 CCCCNCC(C)OCCC 2230a_100015185124_100000210211 [0,2,0,0,0,0|2,0,0]=4 12679 B11R0.81 CCCCNCC(C)OCCC 34a_100015185124_100000210210 [0,2,0,0,0,0|2,0,0]=4 12680 B11R0.81 CCCCNCC(O)COCC 2230a_102515437182_100000210211 [0,2,0,0,0,0|2,0,0]=4 12681 B11R0.81 CCCCNCC(O)COCC 34a_102515437182_100000210210 [0,2,0,0,0,0|2,0,0]=4 12682 B11R0.81 CCCCNC[C@H](C)CCCO 2230a_100160569302_100000210211 [0,2,0,0,0,0|0,0,0]=2 12683 B11R0.81 CCCCNC[C@H](C)CCCO 34a_100160569302_100000210210 [0,2,0,0,0,0|0,0,0]=2 12684 B11R0.81 CCCCNN=C(C)CCCO 4a_100025702795_100000759063 [0,2,0,0,0,0|1,0,1]=4 12685 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [0,2,0,0,0,0|1,0,1]=4 12686 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [0,2,0,0,0,0|1,0,1]=4 12687 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [0,2,0,0,0,0|1,0,1]=4 12688 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [0,2,0,0,0,0|0,0,1]=3 12689 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [0,2,0,0,0,0|1,0,1]=4 12690 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [0,2,0,0,0,0|1,0,1]=4 12691 B11R0.81 CCCCOCC(=O)NCCO 240690a_100000210304_100000757543 [0,2,0,0,0,0|1,0,1]=4 12692 B11R0.81 CCCCOCC(=O)NCCO 527a_100000210304_100000757543 [0,2,0,0,0,0|1,0,1]=4 12693 B11R0.81 CCCCOCC(C)CCCC 34a_100011995851_100000210210 [0,2,0,0,0,0|1,0,0]=3 12694 B11R0.81 CCCCOCC(C)CCCC 7a_100011995851_100000210211 [0,2,0,0,0,0|1,0,0]=3 12695 B11R0.81 CCCCOCC(C)OCCC 34a_100011217071_100000210303 [0,2,0,0,0,0|2,0,0]=4 12696 B11R0.81 CCCCOCC(C)OCCC 7a_100011217071_100000210303 [0,2,0,0,0,0|2,0,0]=4 12697 B11R0.81 CCCCOCC(C)OCCF 34a_100011217071_100011217306 [0,2,0,0,0,0|2,0,0]=4 12698 B11R0.81 CCCCOCC(C)OCCF 7a_100011217071_100011217306 [0,2,0,0,0,0|2,0,0]=4 12699 B11R0.81 CCCCOCC(C)OCCO 34a_100011217071_100000211926 [0,2,0,0,0,0|1,0,0]=3 12700 B11R0.81 CCCCOCC(C)OCCO 7a_100011217071_100000211926 [0,2,0,0,0,0|1,0,0]=3 12701 B11R0.81 CCCCOCN(C)CCCC 2230a_100000207549_100011995733 [0,2,0,0,0,0|2,0,0]=4 12702 B11R0.81 CCCCOCN(C)CCCC 269982a_100000207549_100011995733 [0,2,0,0,0,0|2,0,0]=4 12703 B11R0.81 CCCCOCN(C)CCCO 2230a_100000213112_100011995733 [0,2,0,0,0,0|1,0,0]=3 12704 B11R0.81 CCCCOCN(C)CCCO 269982a_100000213112_100011995733 [0,2,0,0,0,0|1,0,0]=3 12705 B11R0.81 CCCCOCN(C)CCOC 2230a_100000743101_100011995733 [0,2,0,0,0,0|2,0,0]=4 12706 B11R0.81 CCCCOCN(C)CCOC 269982a_100000743101_100011995733 [0,2,0,0,0,0|2,0,0]=4 12707 B11R0.81 CCCCOC[C@@H](C)OCOC 34a_100016172286_100000210210 [0,2,0,0,0,0|2,0,0]=4 12708 B11R0.81 CCCCOC[C@@H](C)OCOC 7a_100016172286_100000210211 [0,2,0,0,0,0|2,0,0]=4 12709 B11R0.81 CCCCOC[C@@H](N)CCCC 34a_100011934283_100000210210 [0,2,0,0,0,0|1,0,0]=3 12710 B11R0.81 CCCCOC[C@@H](N)CCSC 34a_100011827619_100000210210 [0,2,0,0,0,0|1,1,0]=4 12711 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [0,2,0,0,0,0|1,0,1]=4 12712 B11R0.81 CCCCSCC(=O)CCCF 1458a_100000191162_100011934791 [0,2,0,0,0,0|1,0,1]=4 12713 B11R0.81 CCCCSCC(=O)CCCO 1458a_100000191162_100011215043 [0,2,0,0,0,0|0,0,1]=3 12714 B11R0.81 CCCCSCC(=O)CCOC 1458a_100000191162_100000233755 [0,2,0,0,0,0|1,0,1]=4 12715 B11R0.81 CCCCSCC(=O)NCCO 240690a_100000210304_100000191162 [0,2,0,0,0,0|1,0,1]=4 12716 B11R0.81 CCCCSCC(=O)NCCO 527a_100000210304_100000191162 [0,2,0,0,0,0|1,0,1]=4 12717 B11R0.81 CCCC[C@H](N)COCCCF 34a_100011934283_100011934791 [0,2,0,0,0,0|1,0,0]=3 12718 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [0,2,0,0,0,0|0,0,0]=2 12719 B11R0.81 CCCC[C@H](N)COCCOC 34a_100011934283_100011201679 [0,2,0,0,0,0|1,0,0]=3 12720 B11R0.81 CCCC[C@H](N)COCCSC 34a_100011934283_100000212216 [0,2,0,0,0,0|1,1,0]=4 12721 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [0,2,0,0,0,0|0,0,1]=3 12722 B11R0.81 CCCNC(=O)CCOCCO 1626a_100020643023_100011229844 [0,2,0,0,0,0|1,0,1]=4 12723 B11R0.81 CCCNC(=O)CCOCCO 240690a_100020643023_100011229844 [0,2,0,0,0,0|1,0,1]=4 12724 B11R0.81 CCCNC(=O)CNCCCO 2230a_100000174927_100000230001 [0,2,0,0,0,0|1,0,1]=4 12725 B11R0.81 CCCNC(=O)CSCCCO 62a_100000183358_100011215043 [0,2,0,0,0,0|1,0,1]=4 12726 B11R0.81 CCCNC(=O)CSCCCO 62a_100011215043_100000183358 [0,2,0,0,0,0|1,0,1]=4 12727 B11R0.81 CCCNC(=O)NCCCCO 2708a_100000750430_100020643023 [0,2,0,0,0,0|1,0,1]=4 12728 B11R0.81 CCCNC(=O)NCCCCO 2708a_100020643023_100000750430 [0,2,0,0,0,0|1,0,1]=4 12729 B11R0.81 CCCNC(=O)NCCCCO 273464a_100000750430_100020643023 [0,2,0,0,0,0|1,0,1]=4 12730 B11R0.81 CCCNC(=O)NCCCCO 273464a_100020643023_100000750430 [0,2,0,0,0,0|1,0,1]=4 12731 B11R0.81 CCCNC(=O)NCCCCO 512a_100000750430_100020643023 [0,2,0,0,0,0|1,0,1]=4 12732 B11R0.81 CCCNC(=O)NCCCCO 512a_100020643023_100000750430 [0,2,0,0,0,0|1,0,1]=4 12733 B11R0.81 CCCOC(=O)CSCCCO 62a_100011215043_200011215008 [0,2,0,0,0,0|1,0,1]=4 12734 B11R0.81 CCCOC(=O)CSCCCO 62a_200011215008_100011215043 [0,2,0,0,0,0|1,0,1]=4 12735 B11R0.81 CCCOC(C)CNCCCF 2230a_100015185124_100011934791 [0,2,0,0,0,0|2,0,0]=4 12736 B11R0.81 CCCOC(C)CNCCCF 34a_100015185124_100011934791 [0,2,0,0,0,0|2,0,0]=4 12737 B11R0.81 CCCOC(C)CNCCCO 2230a_100015185124_100000230001 [0,2,0,0,0,0|1,0,0]=3 12738 B11R0.81 CCCOC(C)CNCCCO 34a_100015185124_100000230001 [0,2,0,0,0,0|1,0,0]=3 12739 B11R0.81 CCCOC(C)CNCCOC 2230a_100015185124_100011201679 [0,2,0,0,0,0|2,0,0]=4 12740 B11R0.81 CCCOC(C)CNCCOC 34a_100015185124_100011201679 [0,2,0,0,0,0|2,0,0]=4 12741 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [0,2,0,0,0,0|1,0,1]=4 12742 B11R0.81 CCCOCCN(C)CCCO 2230a_100000213112_100011215938 [0,2,0,0,0,0|1,0,0]=3 12743 B11R0.81 CCCOCCN(C)CCCO 269982a_100000213112_100011215938 [0,2,0,0,0,0|1,0,0]=3 12744 B11R0.81 CCCOCCN(C)CCOC 2230a_100000743101_100011215938 [0,2,0,0,0,0|2,0,0]=4 12745 B11R0.81 CCCOCCN(C)CCOC 269982a_100000743101_100011215938 [0,2,0,0,0,0|2,0,0]=4 12746 B11R0.81 CCNNC(=O)CCCCCO 22a_100000756455_100102619762 [0,2,0,0,0,0|1,0,1]=4 12747 B11R0.81 CCOCC(=O)CCCCCF 1458a_100000211967_100000729378 [0,2,0,0,0,0|1,0,1]=4 12748 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [0,2,0,0,0,0|0,0,1]=3 12749 B11R0.81 CCOCC(=O)CCCCOC 1458a_100000211967_100000755781 [0,2,0,0,0,0|1,0,1]=4 12750 B11R0.81 CCOCC(=O)CCOCCO 1458a_100000211967_100011215305 [0,2,0,0,0,0|1,0,1]=4 12751 B11R0.81 CCOCC(=O)NCCCCO 240690a_100000750430_100000211967 [0,2,0,0,0,0|1,0,1]=4 12752 B11R0.81 CCOCC(=O)NCCCCO 527a_100000750430_100000211967 [0,2,0,0,0,0|1,0,1]=4 12753 B11R0.81 CCOCC(C)OCCCCF 34a_100000718985_100000729493 [0,2,0,0,0,0|2,0,0]=4 12754 B11R0.81 CCOCC(C)OCCCCF 7a_100000718985_100000729493 [0,2,0,0,0,0|2,0,0]=4 12755 B11R0.81 CCOCC(C)OCCCCO 34a_100000718985_100011216708 [0,2,0,0,0,0|1,0,0]=3 12756 B11R0.81 CCOCC(C)OCCCCO 7a_100000718985_100000210776 [0,2,0,0,0,0|1,0,0]=3 12757 B11R0.81 CCOCC(C)OCCCOC 34a_100000718985_100000740836 [0,2,0,0,0,0|2,0,0]=4 12758 B11R0.81 CCOCC(C)OCCCOC 7a_100000718985_100000740836 [0,2,0,0,0,0|2,0,0]=4 12759 B11R0.81 CCOCC(O)CNCCCF 2230a_102515437182_100011934791 [0,2,0,0,0,0|2,0,0]=4 12760 B11R0.81 CCOCC(O)CNCCCF 34a_102515437182_100011934791 [0,2,0,0,0,0|2,0,0]=4 12761 B11R0.81 CCOCC(O)CNCCCO 2230a_102515437182_100000230001 [0,2,0,0,0,0|1,0,0]=3 12762 B11R0.81 CCOCC(O)CNCCCO 34a_102515437182_100000230001 [0,2,0,0,0,0|1,0,0]=3 12763 B11R0.81 CCOCC(O)CNCCOC 2230a_102515437182_100011201679 [0,2,0,0,0,0|2,0,0]=4 12764 B11R0.81 CCOCC(O)CNCCOC 34a_102515437182_100011201679 [0,2,0,0,0,0|2,0,0]=4 12765 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [0,2,0,0,0,0|1,0,1]=4 12766 B11R0.81 CCOCCCN(C)CCCO 2230a_100000213112_100012232248 [0,2,0,0,0,0|1,0,0]=3 12767 B11R0.81 CCOCCCN(C)CCCO 269982a_100000213112_100012232248 [0,2,0,0,0,0|1,0,0]=3 12768 B11R0.81 CCOCCCN(C)CCOC 2230a_100000743101_100012232248 [0,2,0,0,0,0|2,0,0]=4 12769 B11R0.81 CCOCCCN(C)CCOC 269982a_100000743101_100012232248 [0,2,0,0,0,0|2,0,0]=4 12770 B11R0.81 CCOCCNC(C)CCOC 270004a_102516460346_100000742357 [0,2,0,0,0,0|2,0,0]=4 12771 B11R0.81 CCOCCOC(C)CCCCl 34a_200000718107_100000210147 [0,2,0,0,0,0|2,0,0]=4 12772 B11R0.81 CCOCCOC(C)CCCCl 7a_200000718107_100011215890 [0,2,0,0,0,0|2,0,0]=4 12773 B11R0.81 CCOCN(C)CCCCCO 269982a_100000722520_100000739092 [0,2,0,0,0,0|1,0,0]=3 12774 B11R0.81 CCOCN(C)CCOCCO 269982a_100000228057_100000739092 [0,2,0,0,0,0|2,0,0]=4 12775 B11R0.81 CCSCC(=O)CCCCCF 1458a_100000230394_100000729378 [0,2,0,0,0,0|1,0,1]=4 12776 B11R0.81 CCSCC(=O)CCCCCO 1458a_100000230394_100000746330 [0,2,0,0,0,0|0,0,1]=3 12777 B11R0.81 CCSCC(=O)CCCCOC 1458a_100000230394_100000755781 [0,2,0,0,0,0|1,0,1]=4 12778 B11R0.81 CCSCC(=O)CCOCCO 1458a_100000230394_100011215305 [0,2,0,0,0,0|1,0,1]=4 12779 B11R0.81 CCSCC(=O)NCCCCO 240690a_100000750430_100000230394 [0,2,0,0,0,0|1,0,1]=4 12780 B11R0.81 CCSCC(=O)NCCCCO 527a_100000750430_100000230394 [0,2,0,0,0,0|1,0,1]=4 12781 B11R0.81 CCSCC(C)NCCCCO 270004a_100000750430_200011216171 [0,2,0,0,0,0|1,0,0]=3 12782 B11R0.81 CCSCC(C)NCCCOC 270004a_100150723488_200011216171 [0,2,0,0,0,0|2,0,0]=4 12783 B11R0.81 CCSCCNC(C)CCOC 270004a_100000106463_100000742357 [0,2,0,0,0,0|2,0,0]=4 12784 B11R0.81 CCSCCOC(C)CCCCl 34a_200000718107_100000757381 [0,2,0,0,0,0|2,0,0]=4 12785 B11R0.81 CCSCCOC(C)CCCCl 7a_200000718107_100000757381 [0,2,0,0,0,0|2,0,0]=4 12786 B11R0.81 CN(CCC#N)CCCCCO 2230a_100000184479_100000746330 [0,2,0,0,0,0|1,0,1]=4 12787 B11R0.81 CN(CCC#N)CCCCCO 2230a_100000722520_100011215226 [0,2,0,0,0,0|1,0,1]=4 12788 B11R0.81 CN(CCC#N)CCCCCO 269982a_100000722520_100011215226 [0,2,0,0,0,0|1,0,1]=4 12789 B11R0.81 CN(CCCF)CCCCCO 2230a_100000722520_100011934791 [0,2,0,0,0,0|1,0,0]=3 12790 B11R0.81 CN(CCCF)CCCCCO 269982a_100000722520_100011934791 [0,2,0,0,0,0|1,0,0]=3 12791 B11R0.81 CN(CCCF)CCOCCO 2230a_100000228057_100011934791 [0,2,0,0,0,0|2,0,0]=4 12792 B11R0.81 CN(CCCF)CCOCCO 269982a_100000228057_100011934791 [0,2,0,0,0,0|2,0,0]=4 12793 B11R0.81 CN(CCCO)CCCCC#N 2230a_100000213112_100000211819 [0,2,0,0,0,0|1,0,1]=4 12794 B11R0.81 CN(CCCO)CCCCC#N 269982a_100000213112_100011219923 [0,2,0,0,0,0|1,0,1]=4 12795 B11R0.81 CN(CCCO)CCCCC=O 2230a_100000213112_100000139335 [0,2,0,0,0,0|1,0,1]=4 12796 B11R0.81 CN(CCCO)CCCCC=O 269982a_100000213112_100000139335 [0,2,0,0,0,0|1,0,1]=4 12797 B11R0.81 CN(CCCO)CCCCCF 2230a_100000213112_100000729378 [0,2,0,0,0,0|1,0,0]=3 12798 B11R0.81 CN(CCCO)CCCCCF 269982a_100000213112_100000729378 [0,2,0,0,0,0|1,0,0]=3 12799 B11R0.81 CN(CCCO)CCCCCO 2230a_100000213112_100000746330 [0,2,0,0,0,0|1,0,0]=3 12800 B11R0.81 CN(CCCO)CCCCCO 2230a_100000722520_100000230001 [0,2,0,0,0,0|1,0,0]=3 12801 B11R0.81 CN(CCCO)CCCCCO 269982a_100000213112_100000746330 [0,2,0,0,0,0|1,0,0]=3 12802 B11R0.81 CN(CCCO)CCCCCO 269982a_100000722520_100011215043 [0,2,0,0,0,0|1,0,0]=3 12803 B11R0.81 CN(CCCO)CCOCCO 2230a_100000213112_100011215305 [0,2,0,0,0,0|2,0,0]=4 12804 B11R0.81 CN(CCCO)CCOCCO 2230a_100000228057_100000230001 [0,2,0,0,0,0|2,0,0]=4 12805 B11R0.81 CN(CCCO)CCOCCO 269982a_100000213112_100011215305 [0,2,0,0,0,0|2,0,0]=4 12806 B11R0.81 CN(CCCO)CCOCCO 269982a_100000228057_100011215043 [0,2,0,0,0,0|2,0,0]=4 12807 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [0,2,0,0,0,0|1,0,1]=4 12808 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,2,0,0,0,0|0,0,1]=3 12809 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,2,0,0,0,0|0,0,1]=3 12810 B11R0.81 COCCC(=O)CCOCCO 1458a_100000749529_100011215305 [0,2,0,0,0,0|1,0,1]=4 12811 B11R0.81 COCCC(=O)CCOCCO 1458a_100011229844_100000233755 [0,2,0,0,0,0|1,0,1]=4 12812 B11R0.81 COCCC(=O)NCCCCO 240690a_100000750430_100000749529 [0,2,0,0,0,0|1,0,1]=4 12813 B11R0.81 COCCC(=O)NCCCCO 527a_100000750430_100000749529 [0,2,0,0,0,0|1,0,1]=4 12814 B11R0.81 COCCC(C)NCCCCO 270004a_100000750430_100000742357 [0,2,0,0,0,0|1,0,0]=3 12815 B11R0.81 COCCC(C)NCCCSC 270004a_100000749238_100000742357 [0,2,0,0,0,0|2,0,0]=4 12816 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [0,2,0,0,0,0|1,0,1]=4 12817 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [0,2,0,0,0,0|1,0,1]=4 12818 B11R0.81 COCCCCN(C)CCCO 2230a_100000213112_100000730899 [0,2,0,0,0,0|1,0,0]=3 12819 B11R0.81 COCCCCN(C)CCCO 269982a_100000213112_100000730899 [0,2,0,0,0,0|1,0,0]=3 12820 B11R0.81 COCCCCN(C)CCOC 2230a_100000743101_100000730899 [0,2,0,0,0,0|2,0,0]=4 12821 B11R0.81 COCCCCN(C)CCOC 269982a_100000743101_100000730899 [0,2,0,0,0,0|2,0,0]=4 12822 B11R0.81 COCCCCN(C)CCSC 2230a_100000686725_100000730899 [0,2,0,0,0,0|2,0,0]=4 12823 B11R0.81 COCCCCN(C)CCSC 269982a_100000686725_100000730899 [0,2,0,0,0,0|2,0,0]=4 12824 B11R0.81 COCCCNC(C)CCOC 270004a_100150723488_100000742357 [0,2,0,0,0,0|2,0,0]=4 12825 B11R0.81 COCCCNC(C)CCSC 270004a_100150723488_100011217047 [0,2,0,0,0,0|2,0,0]=4 12826 B11R0.81 COCCCOC(C)CCCCl 34a_200000718107_100000740836 [0,2,0,0,0,0|2,0,0]=4 12827 B11R0.81 COCCCOC(C)CCCCl 7a_200000718107_100000740836 [0,2,0,0,0,0|2,0,0]=4 12828 B11R0.81 COCCN(C)CCCCCF 2230a_100000743101_100000729378 [0,2,0,0,0,0|2,0,0]=4 12829 B11R0.81 COCCN(C)CCCCCF 269982a_100000743101_100000729378 [0,2,0,0,0,0|2,0,0]=4 12830 B11R0.81 COCCN(C)CCCCCO 2230a_100000722520_100011201679 [0,2,0,0,0,0|1,0,0]=3 12831 B11R0.81 COCCN(C)CCCCCO 2230a_100000743101_100000746330 [0,2,0,0,0,0|1,0,0]=3 12832 B11R0.81 COCCN(C)CCCCCO 269982a_100000722520_100000233755 [0,2,0,0,0,0|1,0,0]=3 12833 B11R0.81 COCCN(C)CCCCCO 269982a_100000743101_100000746330 [0,2,0,0,0,0|1,0,0]=3 12834 B11R0.81 COCCN(C)CCOCCO 2230a_100000228057_100011201679 [0,2,0,0,0,0|2,0,0]=4 12835 B11R0.81 COCCN(C)CCOCCO 2230a_100000743101_100011215305 [0,2,0,0,0,0|2,0,0]=4 12836 B11R0.81 COCCN(C)CCOCCO 269982a_100000228057_100000233755 [0,2,0,0,0,0|2,0,0]=4 12837 B11R0.81 COCCN(C)CCOCCO 269982a_100000743101_100011215305 [0,2,0,0,0,0|2,0,0]=4 12838 B11R0.81 COCCNC[C@H](C)CCCO 2230a_100160569302_100011201679 [0,2,0,0,0,0|1,0,0]=3 12839 B11R0.81 COCCNC[C@H](C)CCCO 34a_100160569302_100011201679 [0,2,0,0,0,0|1,0,0]=3 12840 B11R0.81 COCCOCC(=O)CCCO 1458a_100000211095_100011215043 [0,2,0,0,0,0|1,0,1]=4 12841 B11R0.81 COCCOCN(C)CCCO 2230a_100000213112_100000231047 [0,2,0,0,0,0|2,0,0]=4 12842 B11R0.81 COCCOCN(C)CCCO 269982a_100000213112_100000231047 [0,2,0,0,0,0|2,0,0]=4 12843 B11R0.81 COCCOC[C@@H](N)CCSC 34a_100011827619_100011201679 [0,2,0,0,0,0|2,0,0]=4 12844 B11R0.81 COCO[C@H](C)COCCCO 34a_100016172286_100000230001 [0,2,0,0,0,0|2,0,0]=4 12845 B11R0.81 COCO[C@H](C)COCCCO 7a_100016172286_100011215043 [0,2,0,0,0,0|2,0,0]=4 12846 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [0,2,0,0,0,0|1,0,1]=4 12847 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [0,2,0,0,0,0|0,0,1]=3 12848 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [0,2,0,0,0,0|0,0,1]=3 12849 B11R0.81 CSCCC(=O)CCOCCO 1458a_100000174002_100011215305 [0,2,0,0,0,0|1,0,1]=4 12850 B11R0.81 CSCCC(=O)CCOCCO 1458a_100011229844_100000751147 [0,2,0,0,0,0|1,0,1]=4 12851 B11R0.81 CSCCC(=O)NCCCCO 240690a_100000750430_100000174002 [0,2,0,0,0,0|1,0,1]=4 12852 B11R0.81 CSCCC(=O)NCCCCO 527a_100000750430_100000174002 [0,2,0,0,0,0|1,0,1]=4 12853 B11R0.81 CSCCC(C)NCCCCO 270004a_100000750430_100011217047 [0,2,0,0,0,0|1,0,0]=3 12854 B11R0.81 CSCCN(C)CCCCCF 2230a_100000686725_100000729378 [0,2,0,0,0,0|2,0,0]=4 12855 B11R0.81 CSCCN(C)CCCCCF 269982a_100000686725_100000729378 [0,2,0,0,0,0|2,0,0]=4 12856 B11R0.81 CSCCN(C)CCCCCO 2230a_100000686725_100000746330 [0,2,0,0,0,0|1,0,0]=3 12857 B11R0.81 CSCCN(C)CCCCCO 2230a_100000722520_100000751147 [0,2,0,0,0,0|1,0,0]=3 12858 B11R0.81 CSCCN(C)CCCCCO 269982a_100000686725_100000746330 [0,2,0,0,0,0|1,0,0]=3 12859 B11R0.81 CSCCN(C)CCCCCO 269982a_100000722520_100000212216 [0,2,0,0,0,0|1,0,0]=3 12860 B11R0.81 CSCCN(C)CCOCCO 2230a_100000228057_100000751147 [0,2,0,0,0,0|2,0,0]=4 12861 B11R0.81 CSCCN(C)CCOCCO 2230a_100000686725_100011215305 [0,2,0,0,0,0|2,0,0]=4 12862 B11R0.81 CSCCN(C)CCOCCO 269982a_100000228057_100000212216 [0,2,0,0,0,0|2,0,0]=4 12863 B11R0.81 CSCCN(C)CCOCCO 269982a_100000686725_100011215305 [0,2,0,0,0,0|2,0,0]=4 12864 B11R0.81 CSCCNC[C@H](C)CCCO 2230a_100160569302_100000751147 [0,2,0,0,0,0|1,0,0]=3 12865 B11R0.81 CSCCNC[C@H](C)CCCO 34a_100160569302_100000212216 [0,2,0,0,0,0|1,0,0]=3 12866 B11R0.81 CSCC[C@H](N)COCCCF 34a_100011827619_100011934791 [0,2,0,0,0,0|2,0,0]=4 12867 B11R0.81 CSCC[C@H](N)COCCCO 34a_100011827619_100000230001 [0,2,0,0,0,0|1,0,0]=3 12868 B11R0.81 C[C@H](CCCO)CNCCC#N 2230a_100160569302_100011215226 [0,2,0,0,0,0|1,0,1]=4 12869 B11R0.81 C[C@H](CCCO)CNCCCF 2230a_100160569302_100011934791 [0,2,0,0,0,0|1,0,0]=3 12870 B11R0.81 C[C@H](CCCO)CNCCCF 34a_100160569302_100011934791 [0,2,0,0,0,0|1,0,0]=3 12871 B11R0.81 C[C@H](CCCO)CNCCCO 2230a_100160569302_100000230001 [0,2,0,0,0,0|1,0,0]=3 12872 B11R0.81 C[C@H](CCCO)CNCCCO 34a_100160569302_100000230001 [0,2,0,0,0,0|1,0,0]=3 12873 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100011934036_100000746330 [0,2,0,0,0,0|0,0,2]=4 12874 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100102619762_100011215226 [0,2,0,0,0,0|0,0,2]=4 12875 B11R0.81 O=C(CCCCCO)NCCF 240690a_100000724931_100102619762 [0,2,0,0,0,0|1,0,1]=4 12876 B11R0.81 O=C(CCCCCO)NCCO 240690a_100000210304_100102619762 [0,2,0,0,0,0|1,0,1]=4 12877 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [0,2,0,0,0,0|0,0,1]=3 12878 B11R0.81 O=C(CCCF)CCOCCO 1458a_100011229844_100011934791 [0,2,0,0,0,0|1,0,1]=4 12879 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [0,2,0,0,0,0|0,0,1]=3 12880 B11R0.81 O=C(CCCO)CCOCCO 1458a_100011229844_100011215043 [0,2,0,0,0,0|1,0,1]=4 12881 B11R0.142 CC(CO)N(C)CCCCCF 2230a_100000693034_100000729378 [0,2,0,0,0,0|2,0,0]=4 12882 B11R0.142 CC(CO)N(C)CCCCCF 269982a_100000693034_100000729378 [0,2,0,0,0,0|2,0,0]=4 12883 B11R0.142 CC(CO)N(C)CCCCCO 2230a_100000693034_100000746330 [0,2,0,0,0,0|2,0,0]=4 12884 B11R0.142 CC(CO)N(C)CCCCCO 2230a_100000722520_100012180447 [0,2,0,0,0,0|2,0,0]=4 12885 B11R0.142 CC(CO)N(C)CCCCCO 269982a_100000693034_100000746330 [0,2,0,0,0,0|2,0,0]=4 12886 B11R0.142 CCC(=O)C(C)NCCCCO 2230a_100000750430_100000742827 [0,2,0,0,0,0|1,0,1]=4 12887 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000210776_100000742827 [0,2,0,0,0,0|1,0,1]=4 12888 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000742827_100000210776 [0,2,0,0,0,0|1,0,1]=4 12889 B11R0.142 CCC(=O)N(C)CCCCCO 240690a_100000722520_100000210414 [0,2,0,0,0,0|1,0,1]=4 12890 B11R0.142 CCC(C)C(=O)CCCCCF 1458a_100011192722_100000729378 [0,2,0,0,0,0|1,0,1]=4 12891 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100011192722_100000746330 [0,2,0,0,0,0|0,0,1]=3 12892 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100102619762_100000758301 [0,2,0,0,0,0|0,0,1]=3 12893 B11R0.142 CCC(C)C(=O)CCOCCO 1458a_100011192722_100011215305 [0,2,0,0,0,0|1,0,1]=4 12894 B11R0.142 CCC(C)C(=O)CCOCCO 1458a_100011229844_100000758301 [0,2,0,0,0,0|1,0,1]=4 12895 B11R0.142 CCC(C)C(=O)NCCCCO 240690a_100000750430_100011192722 [0,2,0,0,0,0|1,0,1]=4 12896 B11R0.142 CCC(C)C(=O)NCCCCO 527a_100000750430_100011192722 [0,2,0,0,0,0|1,0,1]=4 12897 B11R0.142 CCC(C)C(C)NCCCCO 269862a_100000750430_100000210599 [0,2,0,0,0,0|1,0,0]=3 12898 B11R0.142 CCC(C)C(C)NCCCCO 270004a_100000750430_100000210599 [0,2,0,0,0,0|1,0,0]=3 12899 B11R0.142 CCC(C)C(C)OCCCCF 7a_100011215189_100000729493 [0,2,0,0,0,0|2,0,0]=4 12900 B11R0.142 CCC(C)C(C)OCCCCO 7a_100011215189_100000210776 [0,2,0,0,0,0|1,0,0]=3 12901 B11R0.142 CCC(C)N(C)CCCCCF 2230a_100000741768_100000729378 [0,2,0,0,0,0|2,0,0]=4 12902 B11R0.142 CCC(C)N(C)CCCCCF 269982a_100000741768_100000729378 [0,2,0,0,0,0|2,0,0]=4 12903 B11R0.142 CCC(C)N(C)CCCCCO 2230a_100000722520_100000758301 [0,2,0,0,0,0|1,0,0]=3 12904 B11R0.142 CCC(C)N(C)CCCCCO 2230a_100000741768_100000746330 [0,2,0,0,0,0|1,0,0]=3 12905 B11R0.142 CCC(C)N(C)CCCCCO 269982a_100000722520_100000758301 [0,2,0,0,0,0|1,0,0]=3 12906 B11R0.142 CCC(C)N(C)CCCCCO 269982a_100000741768_100000746330 [0,2,0,0,0,0|1,0,0]=3 12907 B11R0.142 CCC(C)N(C)CCOCCO 2230a_100000228057_100000758301 [0,2,0,0,0,0|2,0,0]=4 12908 B11R0.142 CCC(C)N(C)CCOCCO 2230a_100000741768_100011215305 [0,2,0,0,0,0|2,0,0]=4 12909 B11R0.142 CCC(C)N(C)CCOCCO 269982a_100000228057_100000758301 [0,2,0,0,0,0|2,0,0]=4 12910 B11R0.142 CCC(C)N(C)CCOCCO 269982a_100000741768_100011215305 [0,2,0,0,0,0|2,0,0]=4 12911 B11R0.142 CCC(O)C(=O)CCCCCF 1458a_100011196387_100000729378 [0,2,0,0,0,0|1,0,1]=4 12912 B11R0.142 CCC(O)C(=O)CCCCCO 1458a_100011196387_100000746330 [0,2,0,0,0,0|0,0,1]=3 12913 B11R0.142 CCC(O)C(=O)CCOCCO 1458a_100011196387_100011215305 [0,2,0,0,0,0|1,0,1]=4 12914 B11R0.142 CCC(O)C(=O)NCCCCO 240690a_100000750430_100011196387 [0,2,0,0,0,0|1,0,1]=4 12915 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,2,0,0,0,0|1,0,1]=4 12916 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,2,0,0,0,0|1,0,1]=4 12917 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,2,0,0,0,0|1,0,1]=4 12918 B11R0.142 CCCCCCC(=O)C(O)CO 1458a_100011215603_100000210757 [0,2,0,0,0,0|0,0,1]=3 12919 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,2,0,0,0,0|1,0,1]=4 12920 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,2,0,0,0,0|0,0,1]=3 12921 B11R0.142 CCCCCCC(C)N(C)CC 2230a_100000225621_100011215978 [0,2,0,0,0,0|2,0,0]=4 12922 B11R0.142 CCCCCCC(C)N(C)CC 269982a_100000225621_100011215978 [0,2,0,0,0,0|2,0,0]=4 12923 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,2,0,0,0,0|1,0,1]=4 12924 B11R0.142 CCCCCCC(O)C(=O)CF 1458a_100011215828_100015361967 [0,2,0,0,0,0|1,0,1]=4 12925 B11R0.142 CCCCCCN(C)C(=O)CO 240690a_106256046315_100000210174 [0,2,0,0,0,0|1,0,1]=4 12926 B11R0.142 CCCCCCN(C)C(=O)CO 527a_106256046315_100000210174 [0,2,0,0,0,0|1,0,1]=4 12927 B11R0.142 CCCCCCN(C)C(C)CC 2230a_100000741768_100000210314 [0,2,0,0,0,0|2,0,0]=4 12928 B11R0.142 CCCCCCN(C)C(C)CC 2230a_106256046315_100000758301 [0,2,0,0,0,0|2,0,0]=4 12929 B11R0.142 CCCCCCN(C)C(C)CC 269982a_100000741768_100000210757 [0,2,0,0,0,0|2,0,0]=4 12930 B11R0.142 CCCCCCN(C)C(C)CC 269982a_106256046315_100000758301 [0,2,0,0,0,0|2,0,0]=4 12931 B11R0.142 CCCCCCN(C)C(C)CO 2230a_100000693034_100000210314 [0,2,0,0,0,0|1,0,0]=3 12932 B11R0.142 CCCCCCN(C)C(C)CO 2230a_106256046315_100012180447 [0,2,0,0,0,0|1,0,0]=3 12933 B11R0.142 CCCCCCN(C)C(C)CO 269982a_100000693034_100000210757 [0,2,0,0,0,0|1,0,0]=3 12934 B11R0.142 CCCCCCN(C)[C@H](C)CO 269982a_106256046315_100016084084 [0,2,0,0,0,0|1,0,0]=3 12935 B11R0.142 CCCCCNC(=O)C(O)CO 240690a_100000209983_100011215603 [0,2,0,0,0,0|1,0,1]=4 12936 B11R0.142 CCCCCNC(C)C(C)CC 269862a_100000209983_100000210599 [0,2,0,0,0,0|2,0,0]=4 12937 B11R0.142 CCCCCNC(C)C(C)CC 270004a_100000209983_100000210599 [0,2,0,0,0,0|2,0,0]=4 12938 B11R0.142 CCCCCOC(C)C(C)CC 7a_100011215189_100000210326 [0,2,0,0,0,0|2,0,0]=4 12939 B11R0.142 CCCCOCC(=O)C(O)CO 1458a_100011215603_100011995733 [0,2,0,0,0,0|1,0,1]=4 12940 B11R0.142 CCCCOCN(C)C(C)CO 2230a_100000693034_100011995733 [0,2,0,0,0,0|2,0,0]=4 12941 B11R0.142 CCCCOCN(C)C(C)CO 269982a_100000693034_100011995733 [0,2,0,0,0,0|2,0,0]=4 12942 B11R0.142 CCCOCCC(=O)C(O)CO 1458a_100011215603_100011215938 [0,2,0,0,0,0|1,0,1]=4 12943 B11R0.142 CCCOCCN(C)C(C)CO 2230a_100000693034_100011215938 [0,2,0,0,0,0|2,0,0]=4 12944 B11R0.142 CCCOCCN(C)C(C)CO 269982a_100000693034_100011215938 [0,2,0,0,0,0|2,0,0]=4 12945 B11R0.142 CCN(C)C(=O)CCCCCO 240690a_100000225621_100102619762 [0,2,0,0,0,0|1,0,1]=4 12946 B11R0.142 CCN(C)C(C)COCCCO 7a_100000732741_100011215043 [0,2,0,0,0,0|2,0,0]=4 12947 B11R0.142 CCOCCCC(=O)C(O)CO 1458a_100011215603_100012232248 [0,2,0,0,0,0|1,0,1]=4 12948 B11R0.142 CCOCCCN(C)C(C)CO 2230a_100000693034_100012232248 [0,2,0,0,0,0|2,0,0]=4 12949 B11R0.142 CCOCCCN(C)C(C)CO 269982a_100000693034_100012232248 [0,2,0,0,0,0|2,0,0]=4 12950 B11R0.142 COC(C)C(=O)CCCCCO 1458a_100000743197_100000746330 [0,2,0,0,0,0|1,0,1]=4 12951 B11R0.142 COC(C)N(C)CCCCCO 269982a_100000722520_100009879195 [0,2,0,0,0,0|2,0,0]=4 12952 B11R0.142 COCCCCC(=O)C(O)CO 1458a_100011215603_100000755781 [0,2,0,0,0,0|1,0,1]=4 12953 B11R0.142 COCCCCN(C)C(C)CO 2230a_100000693034_100000730899 [0,2,0,0,0,0|2,0,0]=4 12954 B11R0.142 COCCCCN(C)C(C)CO 269982a_100000693034_100000730899 [0,2,0,0,0,0|2,0,0]=4 12955 B11R0.142 CSC(C)C(=O)CCCCCO 1458a_100000149566_100000746330 [0,2,0,0,0,0|1,0,1]=4 12956 B11R0.142 C[C@H](CO)N(C)CCCCCO 269982a_100000722520_100016084084 [0,2,0,0,0,0|2,0,0]=4 12957 B11R0.142 O=C(CCCCCF)C(O)CO 1458a_100011215603_100000729378 [0,2,0,0,0,0|1,0,1]=4 12958 B11R0.142 O=C(CCCCCO)C(O)CO 1458a_100011215603_100000746330 [0,2,0,0,0,0|1,0,1]=4 12959 B11R0.155 CC(CCO)C(=O)CCCCO 1458a_100000695505_100009893172 [0,2,0,0,0,0|1,0,1]=4 12960 B11R0.155 CC(CCO)N(C)CCCCF 2230a_100000731037_100000729493 [0,2,0,0,0,0|2,0,0]=4 12961 B11R0.155 CC(CCO)N(C)CCCCF 269982a_100000731037_100000729493 [0,2,0,0,0,0|2,0,0]=4 12962 B11R0.155 CC(CCO)N(C)CCCCO 2230a_100000717598_100009893172 [0,2,0,0,0,0|2,0,0]=4 12963 B11R0.155 CC(CCO)N(C)CCCCO 2230a_100000731037_100000210776 [0,2,0,0,0,0|2,0,0]=4 12964 B11R0.155 CC(CCO)N(C)CCCCO 269982a_100000717598_100009893172 [0,2,0,0,0,0|2,0,0]=4 12965 B11R0.155 CC(CCO)N(C)CCCCO 269982a_100000731037_100000210776 [0,2,0,0,0,0|2,0,0]=4 12966 B11R0.155 CCCC(=O)N(C)CCCCO 240690a_100000717598_100000211992 [0,2,0,0,0,0|1,0,1]=4 12967 B11R0.155 CCCC(C)C(=O)CCCCF 1458a_100000210906_100000729493 [0,2,0,0,0,0|1,0,1]=4 12968 B11R0.155 CCCC(C)C(=O)CCCCO 1458a_100000210906_100000210776 [0,2,0,0,0,0|0,0,1]=3 12969 B11R0.155 CCCC(C)C(=O)CCCCO 1458a_100000695505_100000766640 [0,2,0,0,0,0|0,0,1]=3 12970 B11R0.155 CCCC(C)C(=O)COCCO 1458a_100000708028_100000766640 [0,2,0,0,0,0|1,0,1]=4 12971 B11R0.155 CCCC(C)C(=O)NCCCO 240690a_100000182051_100000210906 [0,2,0,0,0,0|1,0,1]=4 12972 B11R0.155 CCCC(C)C(=O)NCCCO 527a_100000182051_100000210906 [0,2,0,0,0,0|1,0,1]=4 12973 B11R0.155 CCCC(C)C(C)NCCCF 270004a_100015189416_100011216282 [0,2,0,0,0,0|2,0,0]=4 12974 B11R0.155 CCCC(C)C(C)NCCCO 270004a_100000182051_100011216282 [0,2,0,0,0,0|1,0,0]=3 12975 B11R0.155 CCCC(C)C(C)OCCCF 34a_100000708338_100011934791 [0,2,0,0,0,0|2,0,0]=4 12976 B11R0.155 CCCC(C)C(C)OCCCF 7a_100000708338_100011934791 [0,2,0,0,0,0|2,0,0]=4 12977 B11R0.155 CCCC(C)C(C)OCCCO 34a_100000708338_100000230001 [0,2,0,0,0,0|1,0,0]=3 12978 B11R0.155 CCCC(C)C(C)OCCCO 7a_100000708338_100011215043 [0,2,0,0,0,0|1,0,0]=3 12979 B11R0.155 CCCC(C)N(C)CCCCO 2230a_100000717598_100000766640 [0,2,0,0,0,0|1,0,0]=3 12980 B11R0.155 CCCC(C)N(C)CCCCO 269982a_100000717598_100000766640 [0,2,0,0,0,0|1,0,0]=3 12981 B11R0.155 CCCC(C)N(C)CCCCO 270004a_100000717598_100000211909 [0,2,0,0,0,0|1,0,0]=3 12982 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000210906_100000210326 [0,2,0,0,0,0|1,0,1]=4 12983 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000212188_100000766640 [0,2,0,0,0,0|1,0,1]=4 12984 B11R0.155 CCCCCC(=O)C(C)CCO 1458a_100000212188_100009893172 [0,2,0,0,0,0|0,0,1]=3 12985 B11R0.155 CCCCCC(=O)N(C)CCO 240690a_100000210263_100000212188 [0,2,0,0,0,0|1,0,1]=4 12986 B11R0.155 CCCCCC(=O)N(C)CCO 527a_100000210263_100000212188 [0,2,0,0,0,0|1,0,1]=4 12987 B11R0.155 CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210326 [0,2,0,0,0,0|1,0,1]=4 12988 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [0,2,0,0,0,0|1,0,1]=4 12989 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [0,2,0,0,0,0|1,0,1]=4 12990 B11R0.155 CCCCCC(C)C(=O)CCF 1458a_100011215998_100011217306 [0,2,0,0,0,0|1,0,1]=4 12991 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [0,2,0,0,0,0|0,0,1]=3 12992 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [0,2,0,0,0,0|0,0,1]=3 12993 B11R0.155 CCCCCC(C)N(C)CCC 2230a_100000747261_200011218191 [0,2,0,0,0,0|2,0,0]=4 12994 B11R0.155 CCCCCC(C)N(C)CCC 269982a_100000747261_200011218191 [0,2,0,0,0,0|2,0,0]=4 12995 B11R0.155 CCCCCC(C)N(C)CCC 270004a_100000747261_100000211708 [0,2,0,0,0,0|2,0,0]=4 12996 B11R0.155 CCCCCC(C)N(C)CCO 2230a_100000210263_200011218191 [0,2,0,0,0,0|1,0,0]=3 12997 B11R0.155 CCCCCC(C)N(C)CCO 269982a_100000210263_200011218191 [0,2,0,0,0,0|1,0,0]=3 12998 B11R0.155 CCCCCC(C)N(C)CCO 270004a_100000210263_100000211708 [0,2,0,0,0,0|1,0,0]=3 12999 B11R0.155 CCCCCN(C)C(=O)CCO 240690a_100000223495_100011216618 [0,2,0,0,0,0|1,0,1]=4 13000 B11R0.155 CCCCCN(C)C(C)CCC 2230a_100000223495_100000766640 [0,2,0,0,0,0|2,0,0]=4 13001 B11R0.155 CCCCCN(C)C(C)CCC 269982a_100000223495_100000766640 [0,2,0,0,0,0|2,0,0]=4 13002 B11R0.155 CCCCCN(C)C(C)CCC 270004a_100000223495_100000211909 [0,2,0,0,0,0|2,0,0]=4 13003 B11R0.155 CCCCCN(C)C(C)CCO 2230a_100000223495_100009893172 [0,2,0,0,0,0|1,0,0]=3 13004 B11R0.155 CCCCCN(C)C(C)CCO 2230a_100000731037_100000210326 [0,2,0,0,0,0|1,0,0]=3 13005 B11R0.155 CCCCCN(C)C(C)CCO 269982a_100000223495_100009893172 [0,2,0,0,0,0|1,0,0]=3 13006 B11R0.155 CCCCCN(C)C(C)CCO 269982a_100000731037_100000210215 [0,2,0,0,0,0|1,0,0]=3 13007 B11R0.155 CCCCNC(C)C(C)CCC 270004a_100000102301_100011216282 [0,2,0,0,0,0|2,0,0]=4 13008 B11R0.155 CCCCOC(C)C(C)CCC 34a_100000708338_100000210210 [0,2,0,0,0,0|2,0,0]=4 13009 B11R0.155 CCCCOC(C)C(C)CCC 7a_100000708338_100000210211 [0,2,0,0,0,0|2,0,0]=4 13010 B11R0.155 CCCCSC(C)C(=O)CCO 1458a_100000191163_100000211926 [0,2,0,0,0,0|1,0,1]=4 13011 B11R0.155 CCCN(C)C(=O)CCCCO 1626a_100000747261_100000695505 [0,2,0,0,0,0|1,0,1]=4 13012 B11R0.155 CCCOCC(=O)C(C)CCO 1458a_100000745993_100009893172 [0,2,0,0,0,0|1,0,1]=4 13013 B11R0.155 CCCSCC(=O)C(C)CCO 1458a_100000217233_100009893172 [0,2,0,0,0,0|1,0,1]=4 13014 B11R0.155 CCCSCC(C)N(C)CCO 270004a_100000210263_100011343953 [0,2,0,0,0,0|2,0,0]=4 13015 B11R0.155 CCC[C@H](O)C(=O)CCCCF 1458a_100009822183_100000729493 [0,2,0,0,0,0|1,0,1]=4 13016 B11R0.155 CCC[C@H](O)C(=O)CCCCO 1458a_100009822183_100000210776 [0,2,0,0,0,0|0,0,1]=3 13017 B11R0.155 CCC[C@H](O)C(=O)NCCCO 240690a_100000182051_100009822183 [0,2,0,0,0,0|1,0,1]=4 13018 B11R0.155 CCOC(C)C(=O)CCCCO 1458a_100000739345_100000210776 [0,2,0,0,0,0|1,0,1]=4 13019 B11R0.155 CCOCCC(=O)C(C)CCO 1458a_100000749530_100009893172 [0,2,0,0,0,0|1,0,1]=4 13020 B11R0.155 CCOCCC(C)N(C)CCO 270004a_100000210263_200011216536 [0,2,0,0,0,0|2,0,0]=4 13021 B11R0.155 CCOCCN(C)C(C)CCO 2230a_100000731037_100011215890 [0,2,0,0,0,0|2,0,0]=4 13022 B11R0.155 CCOCCN(C)C(C)CCO 269982a_100000731037_100011215890 [0,2,0,0,0,0|2,0,0]=4 13023 B11R0.155 CCSC(C)C(=O)CCCCO 1458a_100000230601_100000210776 [0,2,0,0,0,0|1,0,1]=4 13024 B11R0.155 CCSCCC(=O)C(C)CCO 1458a_100000230768_100009893172 [0,2,0,0,0,0|1,0,1]=4 13025 B11R0.155 CCSCCN(C)C(C)CCO 2230a_100000731037_100000757381 [0,2,0,0,0,0|2,0,0]=4 13026 B11R0.155 CCSCCN(C)C(C)CCO 269982a_100000731037_100000757381 [0,2,0,0,0,0|2,0,0]=4 13027 B11R0.155 COCC(C)C(=O)CCCCO 1458a_100000695505_100000765312 [0,2,0,0,0,0|1,0,1]=4 13028 B11R0.155 COCC(C)C(=O)CCCCO 1458a_100000751857_100000210776 [0,2,0,0,0,0|1,0,1]=4 13029 B11R0.155 COCC(C)N(C)CCCCO 2230a_100000717598_100000765312 [0,2,0,0,0,0|2,0,0]=4 13030 B11R0.155 COCC(C)N(C)CCCCO 269982a_100000717598_100000765312 [0,2,0,0,0,0|2,0,0]=4 13031 B11R0.155 COCC(C)N(C)CCCCO 270004a_100000717598_100000749346 [0,2,0,0,0,0|2,0,0]=4 13032 B11R0.155 COCCCC(=O)C(C)CCO 1458a_100000741012_100009893172 [0,2,0,0,0,0|1,0,1]=4 13033 B11R0.155 COCCCN(C)C(C)CCO 2230a_100000224831_100009893172 [0,2,0,0,0,0|2,0,0]=4 13034 B11R0.155 COCCCN(C)C(C)CCO 2230a_100000731037_100000740836 [0,2,0,0,0,0|2,0,0]=4 13035 B11R0.155 COCCCN(C)C(C)CCO 269982a_100000224831_100009893172 [0,2,0,0,0,0|2,0,0]=4 13036 B11R0.155 COCCCN(C)C(C)CCO 269982a_100000731037_100000740836 [0,2,0,0,0,0|2,0,0]=4 13037 B11R0.155 CSCC(C)C(=O)CCCCO 1458a_100000753918_100000210776 [0,2,0,0,0,0|1,0,1]=4 13038 B11R0.155 CSCC(C)N(C)CCCCO 270004a_100000717598_100011216314 [0,2,0,0,0,0|2,0,0]=4 13039 B11R0.155 CSCCCC(=O)C(C)CCO 1458a_100000173376_100009893172 [0,2,0,0,0,0|1,0,1]=4 13040 B11R0.155 CSCCCC(C)N(C)CCO 270004a_100000210263_100011399439 [0,2,0,0,0,0|2,0,0]=4 13041 B11R0.161 C#CC(CCC)OCCCCC 34a_200011217317_100000718602 [0,2,0,0,0,0|2,0,0]=4 13042 B11R0.161 C#CC(CCC)OCCCCC 7a_200011217317_100000210326 [0,2,0,0,0,0|2,0,0]=4 13043 B11R0.161 C#CC(CCC)OCCCCF 34a_200011217317_100000729493 [0,2,0,0,0,0|2,0,0]=4 13044 B11R0.161 C#CC(CCC)OCCCCF 7a_200011217317_100000729493 [0,2,0,0,0,0|2,0,0]=4 13045 B11R0.161 C#CC(CCC)OCCCCO 34a_200011217317_100011216708 [0,2,0,0,0,0|1,0,0]=3 13046 B11R0.161 C#CC(CCC)OCCCCO 7a_200011217317_100000210776 [0,2,0,0,0,0|1,0,0]=3 13047 B11R0.161 C#CC(CCCCCBr)OCC 34a_200010408556_100000210202 [0,2,0,0,0,0|2,0,0]=4 13048 B11R0.161 C#CC(CCCCCBr)OCC 7a_200010408556_100000210202 [0,2,0,0,0,0|2,0,0]=4 13049 B11R0.161 C=CC(CCC)OCCCCC 34a_100011216692_100000718602 [0,2,0,0,0,0|2,0,0]=4 13050 B11R0.161 C=CC(CCC)OCCCCC 7a_100011216692_100000210326 [0,2,0,0,0,0|2,0,0]=4 13051 B11R0.161 C=CC(CCC)OCCCCF 34a_100011216692_100000729493 [0,2,0,0,0,0|2,0,0]=4 13052 B11R0.161 C=CC(CCC)OCCCCF 7a_100011216692_100000729493 [0,2,0,0,0,0|2,0,0]=4 13053 B11R0.161 C=CC(CCC)OCCCCO 34a_100011216692_100011216708 [0,2,0,0,0,0|1,0,0]=3 13054 B11R0.161 C=CC(CCC)OCCCCO 7a_100011216692_100000210776 [0,2,0,0,0,0|1,0,0]=3 13055 B11R0.161 C=CC(CCCCCC)OCC 34a_200011215977_100000210202 [0,2,0,0,0,0|2,0,0]=4 13056 B11R0.161 C=CC(CCCCCC)OCC 7a_200011215977_100000210202 [0,2,0,0,0,0|2,0,0]=4 13057 B11R0.161 C=CC(CCCCCC)OCF 34a_200011215977_100015361967 [0,2,0,0,0,0|2,0,0]=4 13058 B11R0.161 C=CC(CCCCCC)OCF 7a_200011215977_100015361967 [0,2,0,0,0,0|2,0,0]=4 13059 B11R0.161 CCC(COC)NCCCCO 2230a_100000757820_100000210776 [0,2,0,0,0,0|2,0,0]=4 13060 B11R0.161 CCC(COC)NCCCCO 270004a_100000750430_100000757811 [0,2,0,0,0,0|2,0,0]=4 13061 B11R0.161 CCC(COC)OCCCCO 7a_200011214946_100000210776 [0,2,0,0,0,0|2,0,0]=4 13062 B11R0.161 CCCC(C#N)OCCCCF 34a_100000686963_100000729493 [0,2,0,0,0,0|2,0,0]=4 13063 B11R0.161 CCCC(C#N)OCCCCF 7a_100000686963_100000729493 [0,2,0,0,0,0|2,0,0]=4 13064 B11R0.161 CCCC(C#N)OCCCCO 34a_100000686963_100011216708 [0,2,0,0,0,0|1,0,0]=3 13065 B11R0.161 CCCC(C#N)OCCCCO 7a_100000686963_100000210776 [0,2,0,0,0,0|1,0,0]=3 13066 B11R0.161 CCCC(CC)NCCCCF 2230a_100000747048_100000729493 [0,2,0,0,0,0|2,0,0]=4 13067 B11R0.161 CCCC(CC)NCCCCO 2230a_100000747048_100000210776 [0,2,0,0,0,0|1,0,0]=3 13068 B11R0.161 CCCC(CC)NCCCCO 270004a_100000750430_100000687865 [0,2,0,0,0,0|1,0,0]=3 13069 B11R0.161 CCCC(CC)OCCCCCl 7a_100000210776_100011219200 [0,2,0,0,0,0|2,0,0]=4 13070 B11R0.161 CCCC(CC)OCCCCF 34a_100000687864_100000729493 [0,2,0,0,0,0|2,0,0]=4 13071 B11R0.161 CCCC(CC)OCCCCF 7a_100000687864_100000729493 [0,2,0,0,0,0|2,0,0]=4 13072 B11R0.161 CCCC(CC)OCCCCF 7a_100011995726_100011219200 [0,2,0,0,0,0|2,0,0]=4 13073 B11R0.161 CCCC(CC)OCCCCO 34a_100000687864_100011216708 [0,2,0,0,0,0|1,0,0]=3 13074 B11R0.161 CCCC(CC)OCCCCO 7a_100000687864_100000210776 [0,2,0,0,0,0|1,0,0]=3 13075 B11R0.161 CCCC(CC)SCCCCF 62a_100000729493_100011219200 [0,2,0,0,0,0|2,0,0]=4 13076 B11R0.161 CCCC(CC)SCCCCF 62a_100011219200_100000729493 [0,2,0,0,0,0|2,0,0]=4 13077 B11R0.161 CCCC(CC)SCCCCO 62a_100000210776_100011219200 [0,2,0,0,0,0|1,0,0]=3 13078 B11R0.161 CCCC(CC)SCCCCO 62a_100011219200_100000210776 [0,2,0,0,0,0|1,0,0]=3 13079 B11R0.161 CCCC(CCOCCF)SC 34a_100000032865_100011217306 [0,2,0,0,0,0|2,0,0]=4 13080 B11R0.161 CCCC(CCOCCF)SC 7a_100000032865_100011217306 [0,2,0,0,0,0|2,0,0]=4 13081 B11R0.161 CCCC(CCOCCO)SC 34a_100000032865_100000211926 [0,2,0,0,0,0|1,0,0]=3 13082 B11R0.161 CCCC(CCOCCO)SC 7a_100000032865_100000211926 [0,2,0,0,0,0|1,0,0]=3 13083 B11R0.161 CCCCCCC(CC)NCC 270004a_100015525214_100011219640 [0,2,0,0,0,0|2,0,0]=4 13084 B11R0.161 CCCCCCC(CC)OCC 34a_100011215785_100000210202 [0,2,0,0,0,0|2,0,0]=4 13085 B11R0.161 CCCCCCC(CC)OCC 7a_100011215785_100000210202 [0,2,0,0,0,0|2,0,0]=4 13086 B11R0.161 CCCCCCC(CC)OCF 34a_100011215785_100015361967 [0,2,0,0,0,0|2,0,0]=4 13087 B11R0.161 CCCCCCC(CC)OCF 7a_100011215785_100015361967 [0,2,0,0,0,0|2,0,0]=4 13088 B11R0.161 CCCCCCC(CCC)NC 270004a_106832991635_200011215359 [0,2,0,0,0,0|1,0,0]=3 13089 B11R0.161 CCCCCCC(CCC)OC 34a_200011215193_200000210301 [0,2,0,0,0,0|1,0,0]=3 13090 B11R0.161 CCCCCCC(CCC)OC 7a_200011215193_200000210301 [0,2,0,0,0,0|1,0,0]=3 13091 B11R0.161 CCCCCCC(CCC)O[13CH3] 34a_200011215193_200025704644 [0,2,0,0,0,0|1,0,0]=3 13092 B11R0.161 CCCCCCC(CCC)O[13CH3] 7a_200011215193_200025704644 [0,2,0,0,0,0|1,0,0]=3 13093 B11R0.161 CCCCCCN(CC)CCC 2230a_100000226822_100000210314 [0,2,0,0,0,0|2,0,0]=4 13094 B11R0.161 CCCCCCN(CC)CCC 269982a_100000226822_100000210757 [0,2,0,0,0,0|2,0,0]=4 13095 B11R0.161 CCCCCCN(CC)CCO 2230a_100000210973_100000210314 [0,2,0,0,0,0|1,0,0]=3 13096 B11R0.161 CCCCCCN(CC)CCO 269982a_100000210973_100000210757 [0,2,0,0,0,0|1,0,0]=3 13097 B11R0.161 CCCCCNC(CC)CCC 2230a_100000747048_100000210326 [0,2,0,0,0,0|2,0,0]=4 13098 B11R0.161 CCCCCNC(CC)CCC 270004a_100000209983_100000687865 [0,2,0,0,0,0|2,0,0]=4 13099 B11R0.161 CCCCCN[C@H](CO)CCC 2230a_100000732646_100000210326 [0,2,0,0,0,0|2,0,0]=4 13100 B11R0.161 CCCCCN[C@H](CO)CCC 34a_100000732646_100000718602 [0,2,0,0,0,0|2,0,0]=4 13101 B11R0.161 CCCCCOC(C#N)CCC 34a_100000686963_100000718602 [0,2,0,0,0,0|2,0,0]=4 13102 B11R0.161 CCCCCOC(C#N)CCC 7a_100000686963_100000210326 [0,2,0,0,0,0|2,0,0]=4 13103 B11R0.161 CCCCCOC(CC)CCC 34a_100000687864_100000718602 [0,2,0,0,0,0|2,0,0]=4 13104 B11R0.161 CCCCCOC(CC)CCC 7a_100000210253_100011219200 [0,2,0,0,0,0|2,0,0]=4 13105 B11R0.161 CCCCCOC(CC)CCC 7a_100000687864_100000210326 [0,2,0,0,0,0|2,0,0]=4 13106 B11R0.161 CCCCCSC(CC)CCC 62a_100000210326_100011219200 [0,2,0,0,0,0|2,0,0]=4 13107 B11R0.161 CCCCCSC(CC)CCC 62a_100011219200_100000210326 [0,2,0,0,0,0|2,0,0]=4 13108 B11R0.161 CCCCOCN(CC)CCO 2230a_100000210973_100011995733 [0,2,0,0,0,0|2,0,0]=4 13109 B11R0.161 CCCCOCN(CC)CCO 269982a_100000210973_100011995733 [0,2,0,0,0,0|2,0,0]=4 13110 B11R0.161 CCCN(CC)CCCCCF 2230a_100000226822_100000729378 [0,2,0,0,0,0|2,0,0]=4 13111 B11R0.161 CCCN(CC)CCCCCF 269982a_100000226822_100000729378 [0,2,0,0,0,0|2,0,0]=4 13112 B11R0.161 CCCN(CC)CCCCCO 2230a_100000226822_100000746330 [0,2,0,0,0,0|1,0,0]=3 13113 B11R0.161 CCCN(CC)CCCCCO 269982a_100000226822_100000746330 [0,2,0,0,0,0|1,0,0]=3 13114 B11R0.161 CCCN(CC)CCOCCO 2230a_100000226822_100011215305 [0,2,0,0,0,0|2,0,0]=4 13115 B11R0.161 CCCN(CC)CCOCCO 269982a_100000226822_100011215305 [0,2,0,0,0,0|2,0,0]=4 13116 B11R0.161 CCCOCCC(CCC)SC 34a_100000032865_100000210303 [0,2,0,0,0,0|2,0,0]=4 13117 B11R0.161 CCCOCCC(CCC)SC 7a_100000032865_100000210303 [0,2,0,0,0,0|2,0,0]=4 13118 B11R0.161 CCCOCCN(CC)CCO 2230a_100000210973_100011215938 [0,2,0,0,0,0|2,0,0]=4 13119 B11R0.161 CCCOCCN(CC)CCO 269982a_100000210973_100011215938 [0,2,0,0,0,0|2,0,0]=4 13120 B11R0.161 CCC[C@@H](CO)NCCCCF 2230a_100000732646_100000729493 [0,2,0,0,0,0|2,0,0]=4 13121 B11R0.161 CCC[C@@H](CO)NCCCCF 34a_100000732646_100000729493 [0,2,0,0,0,0|2,0,0]=4 13122 B11R0.161 CCC[C@@H](CO)NCCCCO 2230a_100000732646_100000210776 [0,2,0,0,0,0|1,0,0]=3 13123 B11R0.161 CCC[C@@H](CO)NCCCCO 34a_100000732646_100011216708 [0,2,0,0,0,0|1,0,0]=3 13124 B11R0.161 CCN(CCO)CCCCCF 2230a_100000210973_100000729378 [0,2,0,0,0,0|2,0,0]=4 13125 B11R0.161 CCN(CCO)CCCCCF 269982a_100000210973_100000729378 [0,2,0,0,0,0|2,0,0]=4 13126 B11R0.161 CCN(CCO)CCCCCO 2230a_100000210973_100000746330 [0,2,0,0,0,0|2,0,0]=4 13127 B11R0.161 CCN(CCO)CCCCCO 269982a_100000210973_100000746330 [0,2,0,0,0,0|2,0,0]=4 13128 B11R0.161 CCN(CCO)CCCCOC 2230a_100000210973_100000730899 [0,2,0,0,0,0|2,0,0]=4 13129 B11R0.161 CCN(CCO)CCCCOC 269982a_100000210973_100000730899 [0,2,0,0,0,0|2,0,0]=4 13130 B11R0.161 CCOC(CC)CNCCCO 2230a_100015183923_100000230001 [0,2,0,0,0,0|2,0,0]=4 13131 B11R0.161 CCOC(CC)CNCCCO 34a_100015183923_100000230001 [0,2,0,0,0,0|2,0,0]=4 13132 B11R0.161 CCOCCCN(CC)CCO 2230a_100000210973_100012232248 [0,2,0,0,0,0|2,0,0]=4 13133 B11R0.161 CCOCCCN(CC)CCO 269982a_100000210973_100012232248 [0,2,0,0,0,0|2,0,0]=4 13134 B11R0.161 COCC(CCl)OCCCCO 34a_100011215053_100011216708 [0,2,0,0,0,0|2,0,0]=4 13135 B11R0.161 COCC(CN)OCCCCO 34a_100000756049_100011216708 [0,2,0,0,0,0|2,0,0]=4 13136 B11R0.161 COCC(CO)NCCCCO 2230a_100000724102_100000210776 [0,2,0,0,0,0|2,0,0]=4 13137 B11R0.161 COCC(CO)NCCCCO 34a_100000724102_100011216708 [0,2,0,0,0,0|2,0,0]=4 13138 B11R0.174 CC(CCN)COCC(O)CO 34a_106354213184_100011219619 [0,2,0,0,0,0|2,0,0]=4 13139 B11R0.174 CC(CCN)COC[C@@H](C)CO 34a_106354213184_100000059175 [0,2,0,0,0,0|2,0,0]=4 13140 B11R0.174 CC(CCN)COC[C@@H](O)CO 34a_106354213184_100009815848 [0,2,0,0,0,0|2,0,0]=4 13141 B11R0.174 CC(CO)CCNC(C)CCO 2230a_106354213184_100009893172 [0,2,0,0,0,0|2,0,0]=4 13142 B11R0.174 CC(CO)CCNC(C)CCO 34a_106354213184_100009893172 [0,2,0,0,0,0|2,0,0]=4 13143 B11R0.174 CCC(C)CCNC(=O)CCO 240690a_100020591266_100011216618 [0,2,0,0,0,0|1,0,1]=4 13144 B11R0.174 CCC(C)CCNC(C)CCO 2230a_100020591266_100009893172 [0,2,0,0,0,0|1,0,0]=3 13145 B11R0.174 CCC(C)CCOC(C)CCO 7a_100011215188_100009893172 [0,2,0,0,0,0|1,0,0]=3 13146 B11R0.174 CCC(C)COCC(C)CCN 34a_106354213184_100000748023 [0,2,0,0,0,0|2,0,0]=4 13147 B11R0.174 CCC(O)COCC(C)CCN 34a_106354213184_100011218378 [0,2,0,0,0,0|2,0,0]=4 13148 B11R0.174 CCCC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747444 [0,2,0,0,0,0|1,0,1]=4 13149 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100000747444_100011219619 [0,2,0,0,0,0|1,0,1]=4 13150 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100011219619_100000747444 [0,2,0,0,0,0|1,0,1]=4 13151 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747444 [0,2,0,0,0,0|1,0,1]=4 13152 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000747444_100000059175 [0,2,0,0,0,0|1,0,1]=4 13153 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100000747444_100009815848 [0,2,0,0,0,0|1,0,1]=4 13154 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747444 [0,2,0,0,0,0|1,0,1]=4 13155 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [0,2,0,0,0,0|1,0,1]=4 13156 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [0,2,0,0,0,0|1,0,1]=4 13157 B11R0.174 CCCC(C)CCOC(C)CC 34a_100011217855_100011215416 [0,2,0,0,0,0|2,0,0]=4 13158 B11R0.174 CCCC(C)CCOC(C)CC 7a_100011217855_100000758301 [0,2,0,0,0,0|2,0,0]=4 13159 B11R0.174 CCCC(C)CCOC(C)CO 34a_100011217855_100012180447 [0,2,0,0,0,0|1,0,0]=3 13160 B11R0.174 CCCC(C)CCOC(C)CO 7a_100011217855_100012180447 [0,2,0,0,0,0|1,0,0]=3 13161 B11R0.174 CCCC(C)CNCC(C)CC 2230a_100020588543_100011216630 [0,2,0,0,0,0|2,0,0]=4 13162 B11R0.174 CCCC(C)CNCC(C)CC 270004a_100020588543_100000243154 [0,2,0,0,0,0|2,0,0]=4 13163 B11R0.174 CCCC(C)CNCC(C)CO 34a_100000744482_100011216630 [0,2,0,0,0,0|1,0,0]=3 13164 B11R0.174 CCCC(C)CNCC(O)CC 2230a_100011218483_100011216630 [0,2,0,0,0,0|2,0,0]=4 13165 B11R0.174 CCCC(C)CNCC(O)CC 270004a_100011218483_100000243154 [0,2,0,0,0,0|2,0,0]=4 13166 B11R0.174 CCCC(C)CNC[C@@H](F)CO 270004a_100015665980_100000243154 [0,2,0,0,0,0|1,0,0]=3 13167 B11R0.174 CCCC(C)CNC[C@@H](F)CO 34a_100015665980_100011216630 [0,2,0,0,0,0|1,0,0]=3 13168 B11R0.174 CCCC(C)CNC[C@H](O)CO 2230a_100020644852_100011216630 [0,2,0,0,0,0|1,0,0]=3 13169 B11R0.174 CCCC(C)COCC(C)CC 34a_100000688023_100000748023 [0,2,0,0,0,0|2,0,0]=4 13170 B11R0.174 CCCC(C)COCC(C)CC 7a_100000688023_100000748023 [0,2,0,0,0,0|2,0,0]=4 13171 B11R0.174 CCCC(C)COCC(C)CN 34a_100000744482_100011216630 [0,2,0,0,0,0|2,0,0]=4 13172 B11R0.174 CCCC(C)COCC(Cl)CCl 34a_100000033668_100011216630 [0,2,0,0,0,0|2,0,0]=4 13173 B11R0.174 CCCC(C)COCC(O)CC 34a_100000688023_100011218378 [0,2,0,0,0,0|2,0,0]=4 13174 B11R0.174 CCCC(C)COCC(O)CC 7a_100000688023_100011218378 [0,2,0,0,0,0|2,0,0]=4 13175 B11R0.174 CCCC(C)COCC(O)CO 34a_100000688023_100011219619 [0,2,0,0,0,0|1,0,0]=3 13176 B11R0.174 CCCC(C)COCC(O)CO 7a_100000688023_100011219619 [0,2,0,0,0,0|1,0,0]=3 13177 B11R0.174 CCCC(C)COC[C@@H](C)CC 34a_100000688023_100009816398 [0,2,0,0,0,0|2,0,0]=4 13178 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100000688023_100009816398 [0,2,0,0,0,0|2,0,0]=4 13179 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100009816381_100011216630 [0,2,0,0,0,0|2,0,0]=4 13180 B11R0.174 CCCC(C)COC[C@@H](C)CO 34a_100000688023_100000059175 [0,2,0,0,0,0|1,0,0]=3 13181 B11R0.174 CCCC(C)COC[C@@H](C)CO 7a_100000688023_100000059175 [0,2,0,0,0,0|1,0,0]=3 13182 B11R0.174 CCCC(C)COC[C@@H](O)CF 34a_100000688023_100015614560 [0,2,0,0,0,0|2,0,0]=4 13183 B11R0.174 CCCC(C)COC[C@@H](O)CF 7a_100000688023_100015614560 [0,2,0,0,0,0|2,0,0]=4 13184 B11R0.174 CCCC(C)COC[C@@H](O)CO 34a_100000688023_100009815848 [0,2,0,0,0,0|1,0,0]=3 13185 B11R0.174 CCCC(C)COC[C@@H](O)CO 7a_100000688023_100009815848 [0,2,0,0,0,0|1,0,0]=3 13186 B11R0.174 CCCC(C)COC[C@H](F)CN 34a_100015665980_100011216630 [0,2,0,0,0,0|2,0,0]=4 13187 B11R0.174 CCCC(C)CSCC(C)CC 62a_100000748023_100011216630 [0,2,0,0,0,0|2,0,0]=4 13188 B11R0.174 CCCC(C)CSCC(C)CC 62a_100011216630_100000748023 [0,2,0,0,0,0|2,0,0]=4 13189 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011216630_100011218378 [0,2,0,0,0,0|2,0,0]=4 13190 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011218378_100011216630 [0,2,0,0,0,0|2,0,0]=4 13191 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011216630_100011219619 [0,2,0,0,0,0|1,0,0]=3 13192 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011219619_100011216630 [0,2,0,0,0,0|1,0,0]=3 13193 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100009816398_100011216630 [0,2,0,0,0,0|2,0,0]=4 13194 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100011216630_100009816398 [0,2,0,0,0,0|2,0,0]=4 13195 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100000059175_100011216630 [0,2,0,0,0,0|1,0,0]=3 13196 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100011216630_100000059175 [0,2,0,0,0,0|1,0,0]=3 13197 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100011216630_100015614560 [0,2,0,0,0,0|2,0,0]=4 13198 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100015614560_100011216630 [0,2,0,0,0,0|2,0,0]=4 13199 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100009815848_100011216630 [0,2,0,0,0,0|1,0,0]=3 13200 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100011216630_100009815848 [0,2,0,0,0,0|1,0,0]=3 13201 B11R0.174 CCCC(C)NCCC(C)CC 2230a_100020591266_100000766640 [0,2,0,0,0,0|2,0,0]=4 13202 B11R0.174 CCCC(C)NCCC(C)CC 270004a_100020591266_100000211909 [0,2,0,0,0,0|2,0,0]=4 13203 B11R0.174 CCCC(C)NCCC(C)CO 2230a_106354213184_100000766640 [0,2,0,0,0,0|1,0,0]=3 13204 B11R0.174 CCCC(C)NCCC(C)CO 270004a_106354213184_100000211909 [0,2,0,0,0,0|1,0,0]=3 13205 B11R0.174 CCCC(C)NCCC(C)CO 34a_106354213184_100000766640 [0,2,0,0,0,0|1,0,0]=3 13206 B11R0.174 CCCC(C)OCCC(C)CC 7a_100011215188_100000766640 [0,2,0,0,0,0|2,0,0]=4 13207 B11R0.174 CCC[C@H](N)CCOC(C)CC 34a_100015193777_100011215416 [0,2,0,0,0,0|2,0,0]=4 13208 B11R0.174 CCC[C@H](N)CCOC(C)CO 34a_100015193777_100012180447 [0,2,0,0,0,0|1,0,0]=3 13209 B11R0.174 CCC[C@H](N)COCC(C)CC 34a_100000732646_100000748023 [0,2,0,0,0,0|2,0,0]=4 13210 B11R0.174 CCC[C@H](N)COCC(O)CC 34a_100000732646_100011218378 [0,2,0,0,0,0|2,0,0]=4 13211 B11R0.174 CCC[C@H](N)COCC(O)CO 34a_100000732646_100011219619 [0,2,0,0,0,0|1,0,0]=3 13212 B11R0.174 CCC[C@H](N)COC[C@@H](C)CC 34a_100000732646_100009816398 [0,2,0,0,0,0|2,0,0]=4 13213 B11R0.174 CCC[C@H](N)COC[C@@H](C)CO 34a_100000732646_100000059175 [0,2,0,0,0,0|1,0,0]=3 13214 B11R0.174 CCC[C@H](N)COC[C@@H](O)CF 34a_100000732646_100015614560 [0,2,0,0,0,0|2,0,0]=4 13215 B11R0.174 CCC[C@H](N)COC[C@@H](O)CO 34a_100000732646_100009815848 [0,2,0,0,0,0|1,0,0]=3 13216 B11R0.174 CCN(C)CCCC(=O)CCO 1458a_100011216618_100015186262 [0,2,0,0,0,0|1,0,1]=4 13217 B11R0.174 CCN(C)CCCN(C)CCO 2230a_100000210263_100015186262 [0,2,0,0,0,0|2,0,0]=4 13218 B11R0.174 CCN(C)CCCN(C)CCO 269982a_100000210263_100015186262 [0,2,0,0,0,0|2,0,0]=4 13219 B11R0.174 CC[C@H](C)COCC(C)CCN 34a_106354213184_100009816398 [0,2,0,0,0,0|2,0,0]=4 13220 B11R0.174 COC(C)CCOC(C)CCO 7a_100000764861_100009893172 [0,2,0,0,0,0|2,0,0]=4 13221 B11R0.174 COCC(C)NCCC(C)CO 2230a_106354213184_100000765312 [0,2,0,0,0,0|2,0,0]=4 13222 B11R0.174 COCC(C)NCCC(C)CO 270004a_106354213184_100000749346 [0,2,0,0,0,0|2,0,0]=4 13223 B11R0.174 COCC(C)NCCC(C)CO 34a_106354213184_100000765312 [0,2,0,0,0,0|2,0,0]=4 13224 B11R0.174 COCC(N)COCC(O)CO 34a_100000724102_100011219619 [0,2,0,0,0,0|2,0,0]=4 13225 B11R0.174 COCC(N)COC[C@@H](C)CO 34a_100000724102_100000059175 [0,2,0,0,0,0|2,0,0]=4 13226 B11R0.174 COCC(N)COC[C@@H](O)CO 34a_100000724102_100009815848 [0,2,0,0,0,0|2,0,0]=4 13227 B11R0.174 COCC(O)CNCC(C)CO 34a_100000744482_100011215053 [0,2,0,0,0,0|2,0,0]=4 13228 B11R0.174 COCC(O)CNCC(O)CO 2230a_100000756049_100011219619 [0,2,0,0,0,0|2,0,0]=4 13229 B11R0.174 COCC(O)CNCC(O)CO 34a_100000756049_100011219619 [0,2,0,0,0,0|2,0,0]=4 13230 B11R0.174 COCC(O)CNC[C@@H](C)CO 2230a_100000756049_100000059175 [0,2,0,0,0,0|2,0,0]=4 13231 B11R0.174 COCC(O)CNC[C@@H](C)CO 34a_100000756049_100000059175 [0,2,0,0,0,0|2,0,0]=4 13232 B11R0.174 COCC(O)CNC[C@@H](F)CO 34a_100015665980_100011215053 [0,2,0,0,0,0|2,0,0]=4 13233 B11R0.174 COCC(O)CNC[C@@H](O)CO 2230a_100000756049_100009815848 [0,2,0,0,0,0|2,0,0]=4 13234 B11R0.174 COCC(O)CNC[C@@H](O)CO 34a_100000756049_100009815848 [0,2,0,0,0,0|2,0,0]=4 13235 B11R0.174 COCC(O)CSCC(O)CO 62a_100011215053_100011219619 [0,2,0,0,0,0|2,0,0]=4 13236 B11R0.174 COCC(O)CSCC(O)CO 62a_100011219619_100011215053 [0,2,0,0,0,0|2,0,0]=4 13237 B11R0.174 COCC(O)CSC[C@@H](C)CO 62a_100000059175_100011215053 [0,2,0,0,0,0|2,0,0]=4 13238 B11R0.174 COCC(O)CSC[C@@H](C)CO 62a_100011215053_100000059175 [0,2,0,0,0,0|2,0,0]=4 13239 B11R0.174 COCC(O)CSC[C@@H](O)CO 62a_100009815848_100011215053 [0,2,0,0,0,0|2,0,0]=4 13240 B11R0.174 COCC(O)CSC[C@@H](O)CO 62a_100011215053_100009815848 [0,2,0,0,0,0|2,0,0]=4 13241 B11R0.174 CSCC(C)NCCC(C)CO 270004a_106354213184_100011216314 [0,2,0,0,0,0|2,0,0]=4 13242 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,2,0,0,0,0|0,0,2]=4 13243 B11R0.176 CC(=O)CCCCN(C)CCO 269982a_100000210263_100000735457 [0,2,0,0,0,0|1,0,1]=4 13244 B11R0.176 CC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000685027 [0,2,0,0,0,0|1,0,1]=4 13245 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [0,2,0,0,0,0|1,0,1]=4 13246 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [0,2,0,0,0,0|1,0,1]=4 13247 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100009893172_100011215641 [0,2,0,0,0,0|1,0,1]=4 13248 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100011215641_100009893172 [0,2,0,0,0,0|1,0,1]=4 13249 B11R0.176 CC(C)CCCCC(=O)CCF 1458a_100011933920_100011217306 [0,2,0,0,0,0|1,0,1]=4 13250 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [0,2,0,0,0,0|0,0,1]=3 13251 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [0,2,0,0,0,0|0,0,1]=3 13252 B11R0.176 CC(C)CCCCN(C)CCO 2230a_100000210263_100011216152 [0,2,0,0,0,0|1,0,0]=3 13253 B11R0.176 CC(C)CCCCN(C)CCO 269982a_100000210263_100011216152 [0,2,0,0,0,0|1,0,0]=3 13254 B11R0.176 CC(C)CCCNC(=O)CCO 240690a_200000737386_100011216618 [0,2,0,0,0,0|1,0,1]=4 13255 B11R0.176 CC(C)CCCNC(C)CCO 2230a_200000737386_100009893172 [0,2,0,0,0,0|1,0,0]=3 13256 B11R0.176 CC(C)CCCNC(C)CCO 34a_200000737386_100009893172 [0,2,0,0,0,0|1,0,0]=3 13257 B11R0.176 CC(C)CCCN[C@H](C)CCO 2230a_100000706166_100011214892 [0,2,0,0,0,0|1,0,0]=3 13258 B11R0.176 CC(C)CCCN[C@H](C)CCO 34a_100000706166_100011214892 [0,2,0,0,0,0|1,0,0]=3 13259 B11R0.176 CC(C)CCCOC(C)CCBr 34a_100012276601_100011214892 [0,2,0,0,0,0|2,0,0]=4 13260 B11R0.176 CC(C)CCCOC(C)CCO 34a_100000210774_100009893172 [0,2,0,0,0,0|1,0,0]=3 13261 B11R0.176 CC(C)CCCOC(C)CCO 7a_100000210774_100009893172 [0,2,0,0,0,0|1,0,0]=3 13262 B11R0.176 CC(C)CCCSC(C)CCO 62a_100009893172_100011214892 [0,2,0,0,0,0|1,0,0]=3 13263 B11R0.176 CC(C)CCCSC(C)CCO 62a_100011214892_100009893172 [0,2,0,0,0,0|1,0,0]=3 13264 B11R0.176 CC(C)CCOCC(C)CCN 34a_106354213184_100000210312 [0,2,0,0,0,0|2,0,0]=4 13265 B11R0.176 CC(C)NCCOC(C)CCO 34a_100000224655_100009893172 [0,2,0,0,0,0|2,0,0]=4 13266 B11R0.176 CC(C)OCCN[C@H](C)CCO 2230a_100000706166_100000211751 [0,2,0,0,0,0|2,0,0]=4 13267 B11R0.176 CC(C)OCCN[C@H](C)CCO 34a_100000706166_100000211751 [0,2,0,0,0,0|2,0,0]=4 13268 B11R0.176 CC(C)OCCOC(C)CCO 34a_100000211219_100009893172 [0,2,0,0,0,0|2,0,0]=4 13269 B11R0.176 CC(C)OCCOC(C)CCO 7a_100000211219_100009893172 [0,2,0,0,0,0|2,0,0]=4 13270 B11R0.176 CC(C)OCCSC(C)CCO 62a_100000211751_100009893172 [0,2,0,0,0,0|2,0,0]=4 13271 B11R0.176 CC(C)OCCSC(C)CCO 62a_100009893172_100000211751 [0,2,0,0,0,0|2,0,0]=4 13272 B11R0.176 CC(C)SCCN[C@H](C)CCO 2230a_100000706166_100000730970 [0,2,0,0,0,0|2,0,0]=4 13273 B11R0.176 CC(C)SCCN[C@H](C)CCO 34a_100000706166_100000730970 [0,2,0,0,0,0|2,0,0]=4 13274 B11R0.176 CC(C)SCCSC(C)CCO 62a_100000730970_100009893172 [0,2,0,0,0,0|2,0,0]=4 13275 B11R0.176 CC(C)SCCSC(C)CCO 62a_100009893172_100000730970 [0,2,0,0,0,0|2,0,0]=4 13276 B11R0.176 CC(CCO)NCCCS(=O)C 2230a_200000753449_100009893172 [0,2,0,0,0,0|2,0,0]=4 13277 B11R0.176 CC(CCO)NCCOC(C)C 2230a_100000701111_100009893172 [0,2,0,0,0,0|2,0,0]=4 13278 B11R0.176 CC(CCO)NCCOC(C)C 34a_100000701111_100009893172 [0,2,0,0,0,0|2,0,0]=4 13279 B11R0.176 CC(CCO)NCCSC(C)C 2230a_100000731138_100009893172 [0,2,0,0,0,0|2,0,0]=4 13280 B11R0.176 CC(CCO)NCCSC(C)C 34a_100000731138_100009893172 [0,2,0,0,0,0|2,0,0]=4 13281 B11R0.176 CC(CCO)OCCSC(C)C 34a_200011212901_100009893172 [0,2,0,0,0,0|2,0,0]=4 13282 B11R0.176 CC(CCO)OCCSC(C)C 7a_200011212901_100009893172 [0,2,0,0,0,0|2,0,0]=4 13283 B11R0.176 CC(CCO)SCCCN(C)C 62a_100009893172_100000757444 [0,2,0,0,0,0|2,0,0]=4 13284 B11R0.176 CC(O)CCCN[C@H](C)CCO 2230a_100000706166_200000718107 [0,2,0,0,0,0|1,0,0]=3 13285 B11R0.176 CC(O)CCCN[C@H](C)CCO 34a_100000706166_200000718107 [0,2,0,0,0,0|1,0,0]=3 13286 B11R0.176 CC(O)CCCOC(C)CCBr 34a_100012276601_200000718107 [0,2,0,0,0,0|2,0,0]=4 13287 B11R0.176 CC(O)CCCSC(C)CCO 62a_100009893172_200000718107 [0,2,0,0,0,0|1,0,0]=3 13288 B11R0.176 CC(O)CCCSC(C)CCO 62a_200000718107_100009893172 [0,2,0,0,0,0|1,0,0]=3 13289 B11R0.176 CC(O)CCOCC(C)CCN 34a_106354213184_100012276601 [0,2,0,0,0,0|2,0,0]=4 13290 B11R0.176 CCCC(=O)CCCCB(O)O 1458a_100000211992_200009817182 [0,2,0,0,0,0|1,0,1]=4 13291 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,2,0,0,0,0|1,0,1]=4 13292 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,2,0,0,0,0|1,0,1]=4 13293 B11R0.176 CCCC(=O)CNCCC(C)O 2230a_200000755665_100000747444 [0,2,0,0,0,0|1,0,1]=4 13294 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100000747444_100012276601 [0,2,0,0,0,0|1,0,1]=4 13295 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100012276601_100000747444 [0,2,0,0,0,0|1,0,1]=4 13296 B11R0.176 CCCC(C)CCCOC(C)C 34a_100011713154_100000210206 [0,2,0,0,0,0|2,0,0]=4 13297 B11R0.176 CCCC(C)CCCOC(C)C 7a_100011713154_100000210206 [0,2,0,0,0,0|2,0,0]=4 13298 B11R0.176 CCCC(C)CCOCC(C)C 34a_100011217855_100000210624 [0,2,0,0,0,0|2,0,0]=4 13299 B11R0.176 CCCC(C)CCOCC(C)C 7a_100011217855_100000210760 [0,2,0,0,0,0|2,0,0]=4 13300 B11R0.176 CCCC(C)CCOCC(C)O 34a_100011217855_100011218427 [0,2,0,0,0,0|1,0,0]=3 13301 B11R0.176 CCCC(C)CCOCC(C)O 7a_100011217855_100011218427 [0,2,0,0,0,0|1,0,0]=3 13302 B11R0.176 CCCC(C)CCOCC(F)F 34a_100011217855_100011934356 [0,2,0,0,0,0|2,0,0]=4 13303 B11R0.176 CCCC(C)CCOCC(F)F 7a_100011217855_100011934356 [0,2,0,0,0,0|2,0,0]=4 13304 B11R0.176 CCCC(C)CCOC[C@@H](C)O 34a_100011217855_100009817552 [0,2,0,0,0,0|1,0,0]=3 13305 B11R0.176 CCCC(C)CCOC[C@@H](C)O 7a_100011217855_100009817552 [0,2,0,0,0,0|1,0,0]=3 13306 B11R0.176 CCCC(C)CNCCC(C)C 270004a_100000210545_100000243154 [0,2,0,0,0,0|2,0,0]=4 13307 B11R0.176 CCCC(C)CNCCC(C)O 2230a_200000755665_100011216630 [0,2,0,0,0,0|1,0,0]=3 13308 B11R0.176 CCCC(C)CNCCC(C)O 270004a_200000755665_100000243154 [0,2,0,0,0,0|1,0,0]=3 13309 B11R0.176 CCCC(C)COCCC(C)Br 34a_100009893172_100011216630 [0,2,0,0,0,0|2,0,0]=4 13310 B11R0.176 CCCC(C)COCCC(C)C 34a_100000210254_100011216630 [0,2,0,0,0,0|2,0,0]=4 13311 B11R0.176 CCCC(C)COCCC(C)C 34a_100000688023_100000210312 [0,2,0,0,0,0|2,0,0]=4 13312 B11R0.176 CCCC(C)COCCC(C)C 7a_100000210254_100011216630 [0,2,0,0,0,0|2,0,0]=4 13313 B11R0.176 CCCC(C)COCCC(C)C 7a_100000688023_100000210626 [0,2,0,0,0,0|2,0,0]=4 13314 B11R0.176 CCCC(C)COCCC(C)O 34a_100000688023_100012276601 [0,2,0,0,0,0|1,0,0]=3 13315 B11R0.176 CCCC(C)COCCC(C)O 7a_100000688023_100012276601 [0,2,0,0,0,0|1,0,0]=3 13316 B11R0.176 CCCC(C)COCCC(F)F 34a_100103093639_100011216630 [0,2,0,0,0,0|2,0,0]=4 13317 B11R0.176 CCCC(C)COCC[C@@H](C)N 34a_100000706166_100011216630 [0,2,0,0,0,0|2,0,0]=4 13318 B11R0.176 CCCC(C)CSCCC(C)C 62a_100000210312_100011216630 [0,2,0,0,0,0|2,0,0]=4 13319 B11R0.176 CCCC(C)CSCCC(C)C 62a_100011216630_100000210312 [0,2,0,0,0,0|2,0,0]=4 13320 B11R0.176 CCCC(C)CSCCC(C)O 62a_100011216630_100012276601 [0,2,0,0,0,0|1,0,0]=3 13321 B11R0.176 CCCC(C)CSCCC(C)O 62a_100012276601_100011216630 [0,2,0,0,0,0|1,0,0]=3 13322 B11R0.176 CCCC(C)NCCCC(C)C 2230a_100000741246_100011214892 [0,2,0,0,0,0|2,0,0]=4 13323 B11R0.176 CCCC(C)NCCCC(C)C 2230a_200000737386_100000766640 [0,2,0,0,0,0|2,0,0]=4 13324 B11R0.176 CCCC(C)NCCCC(C)C 270004a_200000737386_100000211909 [0,2,0,0,0,0|2,0,0]=4 13325 B11R0.176 CCCC(C)NCCCC(C)C 34a_200000737386_100000766640 [0,2,0,0,0,0|2,0,0]=4 13326 B11R0.176 CCCC(C)NCCCC(C)O 2230a_100000741246_200000718107 [0,2,0,0,0,0|1,0,0]=3 13327 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000210774_100000766640 [0,2,0,0,0,0|2,0,0]=4 13328 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000764384_100011214892 [0,2,0,0,0,0|2,0,0]=4 13329 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000210774_100000766640 [0,2,0,0,0,0|2,0,0]=4 13330 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000764384_100011214892 [0,2,0,0,0,0|2,0,0]=4 13331 B11R0.176 CCCC(C)OCCCC(C)O 34a_100000764384_200000718107 [0,2,0,0,0,0|1,0,0]=3 13332 B11R0.176 CCCC(C)OCCCC(C)O 7a_100000764384_200000718107 [0,2,0,0,0,0|1,0,0]=3 13333 B11R0.176 CCCC(C)SCCCC(C)C 62a_100000766640_100011214892 [0,2,0,0,0,0|2,0,0]=4 13334 B11R0.176 CCCC(C)SCCCC(C)C 62a_100011214892_100000766640 [0,2,0,0,0,0|2,0,0]=4 13335 B11R0.176 CCCC(C)SCCCC(C)O 62a_100000766640_200000718107 [0,2,0,0,0,0|1,0,0]=3 13336 B11R0.176 CCCC(C)SCCCC(C)O 62a_200000718107_100000766640 [0,2,0,0,0,0|1,0,0]=3 13337 B11R0.176 CCCN(C)CCCCB(O)O 2230a_100000747261_200009817182 [0,2,0,0,0,0|2,0,0]=4 13338 B11R0.176 CCCN(C)CCCCB(O)O 269982a_100000747261_200009817182 [0,2,0,0,0,0|2,0,0]=4 13339 B11R0.176 CCCN(C)CCCCC(C)C 2230a_100000747261_100011216152 [0,2,0,0,0,0|2,0,0]=4 13340 B11R0.176 CCCN(C)CCCCC(C)C 269982a_100000747261_100011216152 [0,2,0,0,0,0|2,0,0]=4 13341 B11R0.176 CCC[C@H](N)CCOCC(C)C 34a_100015193777_100000210624 [0,2,0,0,0,0|2,0,0]=4 13342 B11R0.176 CCC[C@H](N)CCOCC(C)O 34a_100015193777_100011218427 [0,2,0,0,0,0|1,0,0]=3 13343 B11R0.176 CCC[C@H](N)CCOCC(F)F 34a_100015193777_100011934356 [0,2,0,0,0,0|2,0,0]=4 13344 B11R0.176 CCC[C@H](N)CCOC[C@@H](C)O 34a_100015193777_100009817552 [0,2,0,0,0,0|1,0,0]=3 13345 B11R0.176 CCC[C@H](N)COCCC(C)C 34a_100000732646_100000210312 [0,2,0,0,0,0|2,0,0]=4 13346 B11R0.176 CCC[C@H](N)COCCC(C)O 34a_100000732646_100012276601 [0,2,0,0,0,0|1,0,0]=3 13347 B11R0.176 CN(C)CCCCN(C)CCO 269982a_100000210263_100000690147 [0,2,0,0,0,0|2,0,0]=4 13348 B11R0.176 COCC(C)SCCCC(C)O 62a_100000765312_200000718107 [0,2,0,0,0,0|2,0,0]=4 13349 B11R0.176 COCC(C)SCCCC(C)O 62a_200000718107_100000765312 [0,2,0,0,0,0|2,0,0]=4 13350 B11R0.176 COCC(N)COCCC(C)O 34a_100000724102_100012276601 [0,2,0,0,0,0|2,0,0]=4 13351 B11R0.176 COCC(O)CNCCC(C)O 2230a_100000756049_100012276601 [0,2,0,0,0,0|2,0,0]=4 13352 B11R0.176 COCC(O)CNCCC(C)O 34a_100000756049_100012276601 [0,2,0,0,0,0|2,0,0]=4 13353 B11R0.176 COCC(O)CSCCC(C)O 62a_100011215053_100012276601 [0,2,0,0,0,0|2,0,0]=4 13354 B11R0.176 COCC(O)CSCCC(C)O 62a_100012276601_100011215053 [0,2,0,0,0,0|2,0,0]=4 13355 B11R0.176 COC[C@@H](C)NCCCC(C)O 2230a_100000764878_200000718107 [0,2,0,0,0,0|2,0,0]=4 13356 B11R0.176 COC[C@@H](C)OCCCC(C)O 34a_100011934205_200000718107 [0,2,0,0,0,0|2,0,0]=4 13357 B11R0.304 CC(C)(CCBr)OCCCCO 7a_100000702414_100000210776 [0,2,0,0,0,0|2,0,0]=4 13358 B11R0.304 CCCC(C)(C)COCCCF 7a_100011995695_100011934791 [0,2,0,0,0,0|2,0,0]=4 13359 B11R0.304 CCCC(C)(C)COCCCO 7a_100011995695_100011215043 [0,2,0,0,0,0|1,0,0]=3 13360 B11R0.304 CCCC(C)(C)OCCCCF 7a_100000748436_100000729493 [0,2,0,0,0,0|2,0,0]=4 13361 B11R0.304 CCCC(C)(C)OCCCCO 7a_100000748436_100000210776 [0,2,0,0,0,0|1,0,0]=3 13362 B11R0.304 CCCCCCC(C)(C)OCC 7a_200011995690_100000210202 [0,2,0,0,0,0|2,0,0]=4 13363 B11R0.304 CCCCCCC(C)(C)OCF 7a_200011995690_100015361967 [0,2,0,0,0,0|2,0,0]=4 13364 B11R0.304 CCCCCOC(C)(C)CCBr 7a_100000702414_100000210326 [0,2,0,0,0,0|2,0,0]=4 13365 B11R0.304 CCCCCOC(C)(C)CCC 7a_100000748436_100000210326 [0,2,0,0,0,0|2,0,0]=4 13366 B11R0.304 CCCCNC[N+](C)(C)CCO 7a_106832991798_200010270792 [0,2,0,0,0,0|2,0,0]=4 13367 B11R0.304 CCCCOCC(C)(C)CCC 7a_100011995695_100000210211 [0,2,0,0,0,0|2,0,0]=4 13368 B11R0.304 CCCCOC[N+](C)(C)CCO 7a_100000210227_200010270792 [0,2,0,0,0,0|2,0,0]=4 13369 B11R0.304 CCCCSC[N+](C)(C)CCO 62a_100000210211_200010270792 [0,2,0,0,0,0|2,0,0]=4 13370 B11R0.304 CCCCSC[N+](C)(C)CCO 62a_200010270792_100000210210 [0,2,0,0,0,0|2,0,0]=4 13371 B11R0.304 CCCS(=O)(=O)NCCCCO 270084a_100000750430_100000211391 [0,2,0,0,0,0|2,0,0]=4 13372 B11R0.304 CCCS(=O)(=O)NCCCCO 274078a_100000750430_100000211391 [0,2,0,0,0,0|2,0,0]=4 13373 B11R0.304 CCCS(=O)(=O)NCCCCO 40a_100000750430_100000054278 [0,2,0,0,0,0|2,0,0]=4 13374 B11R0.304 CCNC(C)(C)COCCCO 7a_100000747347_100011215043 [0,2,0,0,0,0|2,0,0]=4 13375 B11R0.304 CCOC(C)(C)CCCCCBr 7a_100010402123_100000210202 [0,2,0,0,0,0|2,0,0]=4 13376 B11R0.304 COCC(C)(C)CNCCCO 2230a_100000734190_100000230001 [0,2,0,0,0,0|2,0,0]=4 13377 B11R0.304 COCC(C)(C)NCCCCO 2230a_100000752728_100000210776 [0,2,0,0,0,0|2,0,0]=4 13378 B11R0.304 CSCC(C)(C)NCCCCO 2230a_100000759623_100000210776 [0,2,0,0,0,0|2,0,0]=4 13379 B11R0.304 CSCC(C)(C)NCCCCO 7a_100000759623_100000210776 [0,2,0,0,0,0|2,0,0]=4 13380 B11R0.30 C=C(C)CCOCCCC(C)O 34a_100000764851_200000718107 [0,2,0,0,0,0|1,0,1]=4 13381 B11R0.30 C=C(C)CCSCCCC(C)O 62a_100000730704_200000718107 [0,2,0,0,0,0|1,0,1]=4 13382 B11R0.30 C=C(C)CCSCCCC(C)O 62a_200000718107_100000730704 [0,2,0,0,0,0|1,0,1]=4 13383 B11R0.30 CC(=O)CCCCCCB(O)O 1458a_100000070787_100009817187 [0,2,0,0,0,0|1,0,1]=4 13384 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [0,2,0,0,0,0|0,0,2]=4 13385 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [0,2,0,0,0,0|1,0,1]=4 13386 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [0,2,0,0,0,0|1,0,1]=4 13387 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [0,2,0,0,0,0|1,0,1]=4 13388 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [0,2,0,0,0,0|1,0,1]=4 13389 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [0,2,0,0,0,0|1,0,1]=4 13390 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [0,2,0,0,0,0|1,0,1]=4 13391 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [0,2,0,0,0,0|1,0,1]=4 13392 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [0,2,0,0,0,0|1,0,1]=4 13393 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [0,2,0,0,0,0|1,0,1]=4 13394 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [0,2,0,0,0,0|1,0,1]=4 13395 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [0,2,0,0,0,0|1,0,1]=4 13396 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [0,2,0,0,0,0|1,0,1]=4 13397 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [0,2,0,0,0,0|1,0,1]=4 13398 B11R0.30 CC(Br)COCCCCB(O)O 34a_100012180447_200009817182 [0,2,0,0,0,0|2,0,0]=4 13399 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [0,2,0,0,0,0|0,0,2]=4 13400 B11R0.30 CC(C)CCCCCNC(C)C 2230a_100011290863_100000210206 [0,2,0,0,0,0|2,0,0]=4 13401 B11R0.30 CC(C)CCCCCNC(C)C 2230a_100138425928_100000210682 [0,2,0,0,0,0|2,0,0]=4 13402 B11R0.30 CC(C)CCCCCNC(C)C 34a_100011290863_100000210206 [0,2,0,0,0,0|2,0,0]=4 13403 B11R0.30 CC(C)CCCCCNC(C)C 34a_100138425928_100000210682 [0,2,0,0,0,0|2,0,0]=4 13404 B11R0.30 CC(C)CCCCCOC(C)C 34a_100000212225_100000210682 [0,2,0,0,0,0|2,0,0]=4 13405 B11R0.30 CC(C)CCCCCOC(C)C 34a_100011995859_100000210206 [0,2,0,0,0,0|2,0,0]=4 13406 B11R0.30 CC(C)CCCCCOC(C)C 7a_100011995859_100000210206 [0,2,0,0,0,0|2,0,0]=4 13407 B11R0.30 CC(C)CCCCCSC(C)C 62a_100000210206_100000210682 [0,2,0,0,0,0|2,0,0]=4 13408 B11R0.30 CC(C)CCCCCSC(C)C 62a_100000210682_100000210206 [0,2,0,0,0,0|2,0,0]=4 13409 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [0,2,0,0,0,0|1,0,1]=4 13410 B11R0.30 CC(C)CCCCNCC(C)C 2230a_100000210953_100011216152 [0,2,0,0,0,0|2,0,0]=4 13411 B11R0.30 CC(C)CCCCNCC(C)C 34a_100000210953_100011216152 [0,2,0,0,0,0|2,0,0]=4 13412 B11R0.30 CC(C)CCCCNCC(C)O 2230a_100000210904_100011216152 [0,2,0,0,0,0|1,0,0]=3 13413 B11R0.30 CC(C)CCCCNCC(C)O 34a_100000210904_100011216152 [0,2,0,0,0,0|1,0,0]=3 13414 B11R0.30 CC(C)CCCCNCC(F)F 34a_100000765723_100011216152 [0,2,0,0,0,0|2,0,0]=4 13415 B11R0.30 CC(C)CCCCOCC(C)Br 34a_100012180447_100011216152 [0,2,0,0,0,0|2,0,0]=4 13416 B11R0.30 CC(C)CCCCOCC(C)C 34a_100000210257_100011216152 [0,2,0,0,0,0|2,0,0]=4 13417 B11R0.30 CC(C)CCCCOCC(C)C 34a_100011214890_100000210624 [0,2,0,0,0,0|2,0,0]=4 13418 B11R0.30 CC(C)CCCCOCC(C)C 7a_100011214890_100000210760 [0,2,0,0,0,0|2,0,0]=4 13419 B11R0.30 CC(C)CCCCOCC(C)F 34a_100015925927_100011216152 [0,2,0,0,0,0|2,0,0]=4 13420 B11R0.30 CC(C)CCCCOCC(C)O 34a_100011214890_100011218427 [0,2,0,0,0,0|1,0,0]=3 13421 B11R0.30 CC(C)CCCCOCC(C)O 7a_100011214890_100011218427 [0,2,0,0,0,0|1,0,0]=3 13422 B11R0.30 CC(C)CCCCOCC(F)F 34a_100000743014_100011216152 [0,2,0,0,0,0|2,0,0]=4 13423 B11R0.30 CC(C)CCCCOCC(F)F 34a_100011214890_100011934356 [0,2,0,0,0,0|2,0,0]=4 13424 B11R0.30 CC(C)CCCCOCC(F)F 7a_100011214890_100011934356 [0,2,0,0,0,0|2,0,0]=4 13425 B11R0.30 CC(C)CCCCOC[C@@H](C)Cl 34a_100016084084_100011216152 [0,2,0,0,0,0|2,0,0]=4 13426 B11R0.30 CC(C)CCCCOC[C@@H](C)N 34a_100000737577_100011216152 [0,2,0,0,0,0|2,0,0]=4 13427 B11R0.30 CC(C)CCCCOC[C@@H](C)O 34a_100011214890_100009817552 [0,2,0,0,0,0|1,0,0]=3 13428 B11R0.30 CC(C)CCCCOC[C@@H](C)O 7a_100011214890_100009817552 [0,2,0,0,0,0|1,0,0]=3 13429 B11R0.30 CC(C)CCCCSCC(C)C 62a_100000210624_100011216152 [0,2,0,0,0,0|2,0,0]=4 13430 B11R0.30 CC(C)CCCCSCC(C)C 62a_100011216152_100000210760 [0,2,0,0,0,0|2,0,0]=4 13431 B11R0.30 CC(C)CCCCSCC(C)O 62a_100011216152_100011218427 [0,2,0,0,0,0|1,0,0]=3 13432 B11R0.30 CC(C)CCCCSCC(C)O 62a_100011218427_100011216152 [0,2,0,0,0,0|1,0,0]=3 13433 B11R0.30 CC(C)CCCCSCC(F)F 62a_100011216152_100011934356 [0,2,0,0,0,0|2,0,0]=4 13434 B11R0.30 CC(C)CCCCSCC(F)F 62a_100011934356_100011216152 [0,2,0,0,0,0|2,0,0]=4 13435 B11R0.30 CC(C)CCCCSC[C@@H](C)O 62a_100009817552_100011216152 [0,2,0,0,0,0|1,0,0]=3 13436 B11R0.30 CC(C)CCCCSC[C@@H](C)O 62a_100011216152_100009817552 [0,2,0,0,0,0|1,0,0]=3 13437 B11R0.30 CC(C)CCCNCCC(C)C 2230a_200000737386_100000210312 [0,2,0,0,0,0|2,0,0]=4 13438 B11R0.30 CC(C)CCCNCCC(C)C 269862a_200000737386_100000185833 [0,2,0,0,0,0|2,0,0]=4 13439 B11R0.30 CC(C)CCCNCCC(C)C 34a_200000737386_100000210312 [0,2,0,0,0,0|2,0,0]=4 13440 B11R0.30 CC(C)CCCNCCC(C)O 2230a_200000737386_100012276601 [0,2,0,0,0,0|1,0,0]=3 13441 B11R0.30 CC(C)CCCNCCC(C)O 2230a_200000755665_100011214892 [0,2,0,0,0,0|1,0,0]=3 13442 B11R0.30 CC(C)CCCNCCC(C)O 34a_200000737386_100012276601 [0,2,0,0,0,0|1,0,0]=3 13443 B11R0.30 CC(C)CCCOCCC(C)Br 34a_100009893172_100011214892 [0,2,0,0,0,0|2,0,0]=4 13444 B11R0.30 CC(C)CCCOCCC(C)C 34a_100000210254_100011214892 [0,2,0,0,0,0|2,0,0]=4 13445 B11R0.30 CC(C)CCCOCCC(C)C 34a_100000210774_100000210312 [0,2,0,0,0,0|2,0,0]=4 13446 B11R0.30 CC(C)CCCOCCC(C)C 7a_100000210254_100011214892 [0,2,0,0,0,0|2,0,0]=4 13447 B11R0.30 CC(C)CCCOCCC(C)C 7a_100000210774_100000210626 [0,2,0,0,0,0|2,0,0]=4 13448 B11R0.30 CC(C)CCCOCCC(C)O 34a_100000210774_100012276601 [0,2,0,0,0,0|1,0,0]=3 13449 B11R0.30 CC(C)CCCOCCC(C)O 7a_100000210774_100012276601 [0,2,0,0,0,0|1,0,0]=3 13450 B11R0.30 CC(C)CCCOCCC(F)F 34a_100103093639_100011214892 [0,2,0,0,0,0|2,0,0]=4 13451 B11R0.30 CC(C)CCCOCC[C@@H](C)N 34a_100000706166_100011214892 [0,2,0,0,0,0|2,0,0]=4 13452 B11R0.30 CC(C)CCCSCCC(C)C 62a_100000210312_100011214892 [0,2,0,0,0,0|2,0,0]=4 13453 B11R0.30 CC(C)CCCSCCC(C)C 62a_100011214892_100000210312 [0,2,0,0,0,0|2,0,0]=4 13454 B11R0.30 CC(C)CCCSCCC(C)O 62a_100011214892_100012276601 [0,2,0,0,0,0|1,0,0]=3 13455 B11R0.30 CC(C)CCCSCCC(C)O 62a_100012276601_100011214892 [0,2,0,0,0,0|1,0,0]=3 13456 B11R0.30 CC(C)CCOCCCC(C)O 34a_100000210254_200000718107 [0,2,0,0,0,0|1,0,0]=3 13457 B11R0.30 CC(C)CCOCCCC(C)O 7a_100000210254_200000718107 [0,2,0,0,0,0|1,0,0]=3 13458 B11R0.30 CC(C)CCSCCCC(C)O 62a_100000210312_200000718107 [0,2,0,0,0,0|1,0,0]=3 13459 B11R0.30 CC(C)CCSCCCC(C)O 62a_200000718107_100000210312 [0,2,0,0,0,0|1,0,0]=3 13460 B11R0.30 CC(C)CNCCCCB(O)O 2230a_100000210953_200009817182 [0,2,0,0,0,0|2,0,0]=4 13461 B11R0.30 CC(C)CNCCCCB(O)O 34a_100000210953_200009817182 [0,2,0,0,0,0|2,0,0]=4 13462 B11R0.30 CC(C)CNCCOCC(C)O 34a_100015185251_100011218427 [0,2,0,0,0,0|2,0,0]=4 13463 B11R0.30 CC(C)CNCCOC[C@@H](C)O 34a_100015185251_100009817552 [0,2,0,0,0,0|2,0,0]=4 13464 B11R0.30 CC(C)COCCCCB(O)O 34a_100000210257_200009817182 [0,2,0,0,0,0|2,0,0]=4 13465 B11R0.30 CC(C)COCCOCC(C)O 34a_100000703358_100011218427 [0,2,0,0,0,0|2,0,0]=4 13466 B11R0.30 CC(C)COCCOCC(C)O 7a_100000703358_100011218427 [0,2,0,0,0,0|2,0,0]=4 13467 B11R0.30 CC(C)COCCOC[C@@H](C)O 34a_100000703358_100009817552 [0,2,0,0,0,0|2,0,0]=4 13468 B11R0.30 CC(C)COCCOC[C@@H](C)O 7a_100000703358_100009817552 [0,2,0,0,0,0|2,0,0]=4 13469 B11R0.30 CC(C)CSCCCCB(O)O 62a_100000210624_200009817182 [0,2,0,0,0,0|2,0,0]=4 13470 B11R0.30 CC(C)CSCCCCB(O)O 62a_200009817182_100000210760 [0,2,0,0,0,0|2,0,0]=4 13471 B11R0.30 CC(C)CSCCOCC(C)O 34a_200000230437_100011218427 [0,2,0,0,0,0|2,0,0]=4 13472 B11R0.30 CC(C)CSCCOCC(C)O 7a_200000230437_100011218427 [0,2,0,0,0,0|2,0,0]=4 13473 B11R0.30 CC(C)CSCCOC[C@@H](C)O 34a_200000230437_100009817552 [0,2,0,0,0,0|2,0,0]=4 13474 B11R0.30 CC(C)CSCCOC[C@@H](C)O 7a_200000230437_100009817552 [0,2,0,0,0,0|2,0,0]=4 13475 B11R0.30 CC(C)NCCCCCB(O)O 2230a_100138425928_200009817188 [0,2,0,0,0,0|2,0,0]=4 13476 B11R0.30 CC(C)NCCCCCB(O)O 34a_100138425928_200009817188 [0,2,0,0,0,0|2,0,0]=4 13477 B11R0.30 CC(C)NCCCOC[C@@H](C)O 34a_100000182298_100009817552 [0,2,0,0,0,0|2,0,0]=4 13478 B11R0.30 CC(C)OCCCCCB(O)O 34a_100000212225_200009817188 [0,2,0,0,0,0|2,0,0]=4 13479 B11R0.30 CC(C)OCCCNC[C@@H](C)O 2230a_100000737246_100009817552 [0,2,0,0,0,0|2,0,0]=4 13480 B11R0.30 CC(C)OCCCNC[C@@H](C)O 34a_100000737246_100009817552 [0,2,0,0,0,0|2,0,0]=4 13481 B11R0.30 CC(C)SCCCCCB(O)O 62a_100000210206_200009817188 [0,2,0,0,0,0|2,0,0]=4 13482 B11R0.30 CC(C)SCCCCCB(O)O 62a_200009817188_100000210206 [0,2,0,0,0,0|2,0,0]=4 13483 B11R0.30 CC(F)COCCCCB(O)O 34a_100015925927_200009817182 [0,2,0,0,0,0|2,0,0]=4 13484 B11R0.30 CC(O)CCCNCCC(C)O 2230a_200000755665_200000718107 [0,2,0,0,0,0|1,0,0]=3 13485 B11R0.30 CC(O)CCCOCCC(C)Br 34a_100009893172_200000718107 [0,2,0,0,0,0|1,0,0]=3 13486 B11R0.30 CC(O)CCCOCCC(F)F 34a_100103093639_200000718107 [0,2,0,0,0,0|2,0,0]=4 13487 B11R0.30 CC(O)CCCOCC[C@@H](C)N 34a_100000706166_200000718107 [0,2,0,0,0,0|1,0,0]=3 13488 B11R0.30 CC(O)CCCSCCC(C)O 62a_100012276601_200000718107 [0,2,0,0,0,0|1,0,0]=3 13489 B11R0.30 CC(O)CCCSCCC(C)O 62a_200000718107_100012276601 [0,2,0,0,0,0|1,0,0]=3 13490 B11R0.30 CC(O)CCCSCCN(C)C 62a_200000718107_100000755713 [0,2,0,0,0,0|2,0,0]=4 13491 B11R0.30 CC(O)CCCSCOC(C)C 62a_100000709892_200000718107 [0,2,0,0,0,0|2,0,0]=4 13492 B11R0.30 CC(O)CCCSCOC(C)C 62a_200000718107_100000709892 [0,2,0,0,0,0|2,0,0]=4 13493 B11R0.30 CC(O)CCNCCCS(=O)C 2230a_200000753449_100012276601 [0,2,0,0,0,0|2,0,0]=4 13494 B11R0.30 CC(O)CCNCCOC(C)C 2230a_100000701111_100012276601 [0,2,0,0,0,0|2,0,0]=4 13495 B11R0.30 CC(O)CCNCCOC(C)C 2230a_200000755665_100000211751 [0,2,0,0,0,0|2,0,0]=4 13496 B11R0.30 CC(O)CCNCCOC(C)C 34a_100000701111_100012276601 [0,2,0,0,0,0|2,0,0]=4 13497 B11R0.30 CC(O)CCNCCSC(C)C 2230a_100000731138_100012276601 [0,2,0,0,0,0|2,0,0]=4 13498 B11R0.30 CC(O)CCNCCSC(C)C 2230a_200000755665_100000730970 [0,2,0,0,0,0|2,0,0]=4 13499 B11R0.30 CC(O)CCNCCSC(C)C 34a_100000731138_100012276601 [0,2,0,0,0,0|2,0,0]=4 13500 B11R0.30 CC(O)CCOCCNC(C)C 34a_100000224655_100012276601 [0,2,0,0,0,0|2,0,0]=4 13501 B11R0.30 CC(O)CCOCCOC(C)C 34a_100000211219_100012276601 [0,2,0,0,0,0|2,0,0]=4 13502 B11R0.30 CC(O)CCOCCOC(C)C 7a_100000211219_100012276601 [0,2,0,0,0,0|2,0,0]=4 13503 B11R0.30 CC(O)CCOCCSC(C)C 34a_200011212901_100012276601 [0,2,0,0,0,0|2,0,0]=4 13504 B11R0.30 CC(O)CCOCCSC(C)C 7a_200011212901_100012276601 [0,2,0,0,0,0|2,0,0]=4 13505 B11R0.30 CC(O)CCSCCCN(C)C 62a_100012276601_100000757444 [0,2,0,0,0,0|2,0,0]=4 13506 B11R0.30 CC(O)CCSCCOC(C)C 62a_100000211751_100012276601 [0,2,0,0,0,0|2,0,0]=4 13507 B11R0.30 CC(O)CCSCCOC(C)C 62a_100012276601_100000211751 [0,2,0,0,0,0|2,0,0]=4 13508 B11R0.30 CC(O)CCSCCSC(C)C 62a_100000730970_100012276601 [0,2,0,0,0,0|2,0,0]=4 13509 B11R0.30 CC(O)CCSCCSC(C)C 62a_100012276601_100000730970 [0,2,0,0,0,0|2,0,0]=4 13510 B11R0.30 CC(O)CNCCCCB(O)O 2230a_100000210904_200009817182 [0,2,0,0,0,0|2,0,0]=4 13511 B11R0.30 CC(O)CNCCCCB(O)O 34a_100000210904_200009817182 [0,2,0,0,0,0|2,0,0]=4 13512 B11R0.30 CC(O)CNCCCOC(C)C 2230a_100000737246_100011218427 [0,2,0,0,0,0|2,0,0]=4 13513 B11R0.30 CC(O)CNCCCOC(C)C 34a_100000737246_100011218427 [0,2,0,0,0,0|2,0,0]=4 13514 B11R0.30 CC(O)COCCCNC(C)C 34a_100000182298_100011218427 [0,2,0,0,0,0|2,0,0]=4 13515 B11R0.30 CC(O)CSCCCCB(O)O 62a_100011218427_200009817182 [0,2,0,0,0,0|2,0,0]=4 13516 B11R0.30 CC(O)CSCCCCB(O)O 62a_200009817182_100011218427 [0,2,0,0,0,0|2,0,0]=4 13517 B11R0.30 CC(O)CSCCCCN(C)C 62a_100011218427_100000690147 [0,2,0,0,0,0|2,0,0]=4 13518 B11R0.30 CN(C)CCCCCCB(O)O 2230a_100102631434_100009817187 [0,2,0,0,0,0|2,0,0]=4 13519 B11R0.30 CN(C)CCCCCCB(O)O 269982a_100102631434_100009817187 [0,2,0,0,0,0|2,0,0]=4 13520 B11R0.30 C[C@@H](Cl)COCCCCB(O)O 34a_100016084084_200009817182 [0,2,0,0,0,0|2,0,0]=4 13521 B11R0.30 C[C@@H](N)COCCCCB(O)O 34a_100000737577_200009817182 [0,2,0,0,0,0|2,0,0]=4 13522 B11R0.30 C[C@@H](O)CSCCCCB(O)O 62a_100009817552_200009817182 [0,2,0,0,0,0|2,0,0]=4 13523 B11R0.30 C[C@@H](O)CSCCCCB(O)O 62a_200009817182_100009817552 [0,2,0,0,0,0|2,0,0]=4 13524 B11R0.30 C[C@@H](O)CSCCCCN(C)C 62a_100009817552_100000690147 [0,2,0,0,0,0|2,0,0]=4 13525 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,2,0,0,0,0|0,0,2]=4 13526 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [0,2,0,0,0,0|0,0,2]=4 13527 B11R0.40 C#CC(C)NCCCCCCC 2230a_100000707721_100000210681 [0,2,0,0,0,0|1,0,1]=4 13528 B11R0.40 C#CC(C)NCCCCCCC 34a_100000707721_100000210614 [0,2,0,0,0,0|1,0,1]=4 13529 B11R0.40 C#CC(C)NCCCCCCF 2230a_100000707721_100015922095 [0,2,0,0,0,0|2,0,0]=4 13530 B11R0.40 C#CC(C)NCCCCCCF 34a_100000707721_100015922095 [0,2,0,0,0,0|2,0,0]=4 13531 B11R0.40 C#CC(C)NCCCCCCO 2230a_100000707721_100000766143 [0,2,0,0,0,0|1,0,0]=3 13532 B11R0.40 C#CC(C)NCCCCCCO 34a_100000686447_200000035995 [0,2,0,0,0,0|1,0,0]=3 13533 B11R0.40 C#CC(C)NCCCCCCO 34a_100000707721_100000766143 [0,2,0,0,0,0|1,0,0]=3 13534 B11R0.40 C#CC(C)OCCCCCCBr 34a_100011215345_200000035995 [0,2,0,0,0,0|2,0,0]=4 13535 B11R0.40 C#CC(C)OCCCCCCC 34a_100000210272_200000035995 [0,2,0,0,0,0|1,0,1]=4 13536 B11R0.40 C#CC(C)OCCCCCCCl 34a_100000766143_200000035995 [0,2,0,0,0,0|2,0,0]=4 13537 B11R0.40 C#CC(C)OCCCCCCF 34a_100000732779_200000035995 [0,2,0,0,0,0|2,0,0]=4 13538 B11R0.40 C#CC(C)OCCCCCCN 34a_100000686447_200000035995 [0,2,0,0,0,0|2,0,0]=4 13539 B11R0.40 C#CC(C)SCCCCCCC 62a_200000035995_100000210316 [0,2,0,0,0,0|1,0,1]=4 13540 B11R0.40 C#CC(C)SCCCCCCF 62a_200000035995_100015922095 [0,2,0,0,0,0|2,0,0]=4 13541 B11R0.40 C#CC(C)SCCCCCCO 62a_200000035995_100000766143 [0,2,0,0,0,0|1,0,0]=3 13542 B11R0.40 C#CC(O)CCCCCNCC 2230a_100015525214_200010408556 [0,2,0,0,0,0|1,0,0]=3 13543 B11R0.40 C#CC(O)CCCCCOCC 34a_100121572206_200010408556 [0,2,0,0,0,0|1,0,0]=3 13544 B11R0.40 C#CC(O)CCCCCSCC 62a_100000210202_200010408556 [0,2,0,0,0,0|1,0,0]=3 13545 B11R0.40 C#CC(O)CCCCCSCC 62a_200010408556_100000210202 [0,2,0,0,0,0|1,0,0]=3 13546 B11R0.40 C#CC(O)CCCCCSCF 62a_100015361967_200010408556 [0,2,0,0,0,0|2,0,0]=4 13547 B11R0.40 C#CC(O)CCCCCSCF 62a_200010408556_100015361967 [0,2,0,0,0,0|2,0,0]=4 13548 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,2,0,0,0,0|1,0,1]=4 13549 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,2,0,0,0,0|1,0,1]=4 13550 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [0,2,0,0,0,0|0,0,2]=4 13551 B11R0.40 C#CCCCCCCN(C)CC 2230a_100000225621_100012276617 [0,2,0,0,0,0|1,0,1]=4 13552 B11R0.40 C#CCCCCCCN(C)CC 269982a_100000225621_100012276617 [0,2,0,0,0,0|1,0,1]=4 13553 B11R0.40 C#CCCCCCNC(C)CC 2230a_100000209981_100012094781 [0,2,0,0,0,0|1,0,1]=4 13554 B11R0.40 C#CCCCCCN[C@H](C)CO 2230a_100000737577_100012094781 [0,2,0,0,0,0|0,0,2]=4 13555 B11R0.40 C#CCCCCCOC(C)CC 34a_100000766912_100011215416 [0,2,0,0,0,0|1,0,1]=4 13556 B11R0.40 C#CCCCCCOC(C)CC 7a_100000210228_100012094781 [0,2,0,0,0,0|1,0,1]=4 13557 B11R0.40 C#CCCCCCOC(C)CC 7a_100000766912_100000758301 [0,2,0,0,0,0|1,0,1]=4 13558 B11R0.40 C#CCCCCCOC(C)CO 34a_100000766912_100012180447 [0,2,0,0,0,0|0,0,2]=4 13559 B11R0.40 C#CCCCCCOC(C)CO 7a_100000766912_100012180447 [0,2,0,0,0,0|0,0,2]=4 13560 B11R0.40 C#CCCCCCSC(C)CC 62a_100000758301_100012094781 [0,2,0,0,0,0|1,0,1]=4 13561 B11R0.40 C#CCCCCCSC(C)CC 62a_100012094781_100000758301 [0,2,0,0,0,0|1,0,1]=4 13562 B11R0.40 C#CCCCCCSC(C)CO 62a_100012180447_100012094781 [0,2,0,0,0,0|0,0,2]=4 13563 B11R0.40 C#CCCCCCS[C@H](C)CO 62a_100012094781_100016084084 [0,2,0,0,0,0|0,0,2]=4 13564 B11R0.40 C#CCCCCCS[C@H](C)CO 62a_100016084084_100012094781 [0,2,0,0,0,0|0,0,2]=4 13565 B11R0.40 C#CCCCCNCC(C)CC 2230a_100000706060_100000748023 [0,2,0,0,0,0|1,0,1]=4 13566 B11R0.40 C#CCCCCNCC(C)CC 2230a_100020588543_100010269958 [0,2,0,0,0,0|1,0,1]=4 13567 B11R0.40 C#CCCCCNCC(C)CC 34a_100000706060_100000748023 [0,2,0,0,0,0|1,0,1]=4 13568 B11R0.40 C#CCCCCNCC(C)CO 34a_100000744482_100010269958 [0,2,0,0,0,0|0,0,2]=4 13569 B11R0.40 C#CCCCCNCC(O)CC 2230a_100000706060_100011218378 [0,2,0,0,0,0|1,0,1]=4 13570 B11R0.40 C#CCCCCNCC(O)CC 2230a_100011218483_100010269958 [0,2,0,0,0,0|1,0,1]=4 13571 B11R0.40 C#CCCCCNCC(O)CC 34a_100000706060_100011218378 [0,2,0,0,0,0|1,0,1]=4 13572 B11R0.40 C#CCCCCNCC(O)CO 2230a_100000706060_100011219619 [0,2,0,0,0,0|0,0,2]=4 13573 B11R0.40 C#CCCCCNCC(O)CO 34a_100000706060_100011219619 [0,2,0,0,0,0|0,0,2]=4 13574 B11R0.40 C#CCCCCNC[C@@H](C)CC 2230a_100000706060_100009816398 [0,2,0,0,0,0|1,0,1]=4 13575 B11R0.40 C#CCCCCNC[C@@H](C)CC 34a_100000706060_100009816398 [0,2,0,0,0,0|1,0,1]=4 13576 B11R0.40 C#CCCCCNC[C@@H](C)CO 2230a_100000706060_100000059175 [0,2,0,0,0,0|0,0,2]=4 13577 B11R0.40 C#CCCCCNC[C@@H](C)CO 34a_100000706060_100000059175 [0,2,0,0,0,0|0,0,2]=4 13578 B11R0.40 C#CCCCCNC[C@@H](F)CO 34a_100015665980_100010269958 [0,2,0,0,0,0|0,0,2]=4 13579 B11R0.40 C#CCCCCNC[C@@H](O)CO 2230a_100000706060_100009815848 [0,2,0,0,0,0|0,0,2]=4 13580 B11R0.40 C#CCCCCNC[C@@H](O)CO 34a_100000706060_100009815848 [0,2,0,0,0,0|0,0,2]=4 13581 B11R0.40 C#CCCCCNC[C@H](O)CO 2230a_100020644852_100010269958 [0,2,0,0,0,0|0,0,2]=4 13582 B11R0.40 C#CCCCCOCC(C)CC 34a_100000766709_100000748023 [0,2,0,0,0,0|1,0,1]=4 13583 B11R0.40 C#CCCCCOCC(C)CC 7a_100000766709_100000748023 [0,2,0,0,0,0|1,0,1]=4 13584 B11R0.40 C#CCCCCOCC(O)CC 34a_100000766709_100011218378 [0,2,0,0,0,0|1,0,1]=4 13585 B11R0.40 C#CCCCCOCC(O)CC 7a_100000766709_100011218378 [0,2,0,0,0,0|1,0,1]=4 13586 B11R0.40 C#CCCCCOCC(O)CO 34a_100000766709_100011219619 [0,2,0,0,0,0|0,0,2]=4 13587 B11R0.40 C#CCCCCOCC(O)CO 7a_100000766709_100011219619 [0,2,0,0,0,0|0,0,2]=4 13588 B11R0.40 C#CCCCCOC[C@@H](C)CC 34a_100000766709_100009816398 [0,2,0,0,0,0|1,0,1]=4 13589 B11R0.40 C#CCCCCOC[C@@H](C)CC 7a_100000766709_100009816398 [0,2,0,0,0,0|1,0,1]=4 13590 B11R0.40 C#CCCCCOC[C@@H](C)CC 7a_100009816381_100010269958 [0,2,0,0,0,0|1,0,1]=4 13591 B11R0.40 C#CCCCCOC[C@@H](C)CO 34a_100000766709_100000059175 [0,2,0,0,0,0|0,0,2]=4 13592 B11R0.40 C#CCCCCOC[C@@H](C)CO 7a_100000766709_100000059175 [0,2,0,0,0,0|0,0,2]=4 13593 B11R0.40 C#CCCCCOC[C@@H](O)CO 34a_100000766709_100009815848 [0,2,0,0,0,0|0,0,2]=4 13594 B11R0.40 C#CCCCCOC[C@@H](O)CO 7a_100000766709_100009815848 [0,2,0,0,0,0|0,0,2]=4 13595 B11R0.40 C#CCCCCSCC(C)CC 62a_100000748023_100010269958 [0,2,0,0,0,0|1,0,1]=4 13596 B11R0.40 C#CCCCCSCC(C)CC 62a_100010269958_100000748023 [0,2,0,0,0,0|1,0,1]=4 13597 B11R0.40 C#CCCCCSCC(O)CC 62a_100010269958_100011218378 [0,2,0,0,0,0|1,0,1]=4 13598 B11R0.40 C#CCCCCSCC(O)CC 62a_100011218378_100010269958 [0,2,0,0,0,0|1,0,1]=4 13599 B11R0.40 C#CCCCCSCC(O)CO 62a_100010269958_100011219619 [0,2,0,0,0,0|0,0,2]=4 13600 B11R0.40 C#CCCCCSCC(O)CO 62a_100011219619_100010269958 [0,2,0,0,0,0|0,0,2]=4 13601 B11R0.40 C#CCCCCSC[C@@H](C)CC 62a_100009816398_100010269958 [0,2,0,0,0,0|1,0,1]=4 13602 B11R0.40 C#CCCCCSC[C@@H](C)CC 62a_100010269958_100009816398 [0,2,0,0,0,0|1,0,1]=4 13603 B11R0.40 C#CCCCCSC[C@@H](C)CO 62a_100000059175_100010269958 [0,2,0,0,0,0|0,0,2]=4 13604 B11R0.40 C#CCCCCSC[C@@H](C)CO 62a_100010269958_100000059175 [0,2,0,0,0,0|0,0,2]=4 13605 B11R0.40 C#CCCCCSC[C@@H](O)CO 62a_100009815848_100010269958 [0,2,0,0,0,0|0,0,2]=4 13606 B11R0.40 C#CCCCCSC[C@@H](O)CO 62a_100010269958_100009815848 [0,2,0,0,0,0|0,0,2]=4 13607 B11R0.40 C#CCCCNCCC(C)CC 2230a_100020591266_100000731252 [0,2,0,0,0,0|1,0,1]=4 13608 B11R0.40 C#CCCCNCCC(C)CO 2230a_106354213184_100000731252 [0,2,0,0,0,0|0,0,2]=4 13609 B11R0.40 C#CCCCNCCC(C)CO 34a_106354213184_100000695029 [0,2,0,0,0,0|0,0,2]=4 13610 B11R0.40 C#CCCCOCCC(C)CC 7a_100011215188_100011215417 [0,2,0,0,0,0|1,0,1]=4 13611 B11R0.40 C#CCCOCCCC(C)CC 7a_100011216074_100000688953 [0,2,0,0,0,0|1,0,1]=4 13612 B11R0.40 C#C[C@@H](C)OCCCCCCC 34a_100009815206_100000210614 [0,2,0,0,0,0|1,0,1]=4 13613 B11R0.40 C#C[C@@H](C)OCCCCCCC 7a_100009815206_100000210614 [0,2,0,0,0,0|1,0,1]=4 13614 B11R0.40 C#C[C@@H](C)OCCCCCCF 34a_100009815206_100015922095 [0,2,0,0,0,0|2,0,0]=4 13615 B11R0.40 C#C[C@@H](C)OCCCCCCF 7a_100009815206_100015922095 [0,2,0,0,0,0|2,0,0]=4 13616 B11R0.40 C#C[C@@H](C)OCCCCCCO 34a_100009815206_100000766143 [0,2,0,0,0,0|1,0,0]=3 13617 B11R0.40 C#C[C@@H](C)OCCCCCCO 7a_100009815206_100000766143 [0,2,0,0,0,0|1,0,0]=3 13618 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,2,0,0,0,0|0,0,2]=4 13619 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,2,0,0,0,0|0,0,2]=4 13620 B11R0.40 C=CC(C)COCCCCCC 34a_100011215527_100000210314 [0,2,0,0,0,0|1,0,1]=4 13621 B11R0.40 C=CC(C)COCCCCCC 7a_100011215527_100000210314 [0,2,0,0,0,0|1,0,1]=4 13622 B11R0.40 C=CC(C)COCCCCCF 34a_100011215527_100000729378 [0,2,0,0,0,0|2,0,0]=4 13623 B11R0.40 C=CC(C)COCCCCCF 7a_100011215527_100000729378 [0,2,0,0,0,0|2,0,0]=4 13624 B11R0.40 C=CC(C)COCCCCCO 34a_100011215527_100000746330 [0,2,0,0,0,0|1,0,0]=3 13625 B11R0.40 C=CC(C)COCCCCCO 7a_100011215527_100000746330 [0,2,0,0,0,0|1,0,0]=3 13626 B11R0.40 C=CC(C)COCCOCCO 34a_100011215527_100000692535 [0,2,0,0,0,0|2,0,0]=4 13627 B11R0.40 C=CC(C)COCCOCCO 7a_100011215527_100011215305 [0,2,0,0,0,0|2,0,0]=4 13628 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [0,2,0,0,0,0|1,0,1]=4 13629 B11R0.40 C=CC(C)OCCCCCCF 34a_100000695699_100015922095 [0,2,0,0,0,0|2,0,0]=4 13630 B11R0.40 C=CC(C)OCCCCCCO 34a_100000695699_100000766143 [0,2,0,0,0,0|1,0,0]=3 13631 B11R0.40 C=CC(C)SCCCCCCC 62a_100011215867_100000210316 [0,2,0,0,0,0|1,0,1]=4 13632 B11R0.40 C=CC(C)SCCCCCCF 62a_100011215867_100015922095 [0,2,0,0,0,0|2,0,0]=4 13633 B11R0.40 C=CC(C)SCCCCCCO 62a_100011215867_100000766143 [0,2,0,0,0,0|1,0,0]=3 13634 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [0,2,0,0,0,0|1,0,0]=3 13635 B11R0.40 C=CC(O)CNCCCCCO 2230a_100000762737_100000730141 [0,2,0,0,0,0|0,0,2]=4 13636 B11R0.40 C=CC(O)CNCCCCCO 34a_100000762737_100000730141 [0,2,0,0,0,0|0,0,2]=4 13637 B11R0.40 C=CC(O)CNCCCOCC 2230a_100000210961_100000730141 [0,2,0,0,0,0|2,0,0]=4 13638 B11R0.40 C=CC(O)CNCCCOCC 34a_100000210961_100000730141 [0,2,0,0,0,0|2,0,0]=4 13639 B11R0.40 C=CC(O)CNCCOCCC 2230a_100161115042_100000730141 [0,2,0,0,0,0|2,0,0]=4 13640 B11R0.40 C=CC(O)CNCCOCCC 34a_100161115042_100000730141 [0,2,0,0,0,0|2,0,0]=4 13641 B11R0.40 C=CC(O)CNCCSCCC 2230a_100020603323_100000730141 [0,2,0,0,0,0|2,0,0]=4 13642 B11R0.40 C=CC(O)COCCCCCBr 34a_100000746331_100000730141 [0,2,0,0,0,0|2,0,0]=4 13643 B11R0.40 C=CC(O)COCCCCCBr 7a_100000746331_100000730141 [0,2,0,0,0,0|2,0,0]=4 13644 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [0,2,0,0,0,0|1,0,0]=3 13645 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [0,2,0,0,0,0|1,0,0]=3 13646 B11R0.40 C=CC(O)COCCCCCCl 34a_100000746330_100000730141 [0,2,0,0,0,0|2,0,0]=4 13647 B11R0.40 C=CC(O)COCCCCCCl 7a_100000746330_100000730141 [0,2,0,0,0,0|2,0,0]=4 13648 B11R0.40 C=CC(O)COCCCCCI 34a_200012148887_100000730141 [0,2,0,0,0,0|2,0,0]=4 13649 B11R0.40 C=CC(O)COCCCCCI 7a_200012148887_100000730141 [0,2,0,0,0,0|2,0,0]=4 13650 B11R0.40 C=CC(O)COCCCCCN 34a_100000762737_100000730141 [0,2,0,0,0,0|2,0,0]=4 13651 B11R0.40 C=CC(O)COCCCCOC 34a_100000740925_100000730141 [0,2,0,0,0,0|2,0,0]=4 13652 B11R0.40 C=CC(O)COCCCCSC 34a_100011217163_100000730141 [0,2,0,0,0,0|2,0,0]=4 13653 B11R0.40 C=CC(O)COCCCCSC 7a_100011217163_100000730141 [0,2,0,0,0,0|2,0,0]=4 13654 B11R0.40 C=CC(O)COCCCOCC 34a_100000757476_100000730141 [0,2,0,0,0,0|2,0,0]=4 13655 B11R0.40 C=CC(O)COCCCOCC 7a_100000757476_100000730141 [0,2,0,0,0,0|2,0,0]=4 13656 B11R0.40 C=CC(O)COCCCSCC 34a_100011216438_100000730141 [0,2,0,0,0,0|2,0,0]=4 13657 B11R0.40 C=CC(O)COCCCSCC 7a_100011216438_100000730141 [0,2,0,0,0,0|2,0,0]=4 13658 B11R0.40 C=CC(O)COCCOCCC 34a_100000752267_100000730141 [0,2,0,0,0,0|2,0,0]=4 13659 B11R0.40 C=CC(O)COCCOCCC 7a_100000752267_100000730141 [0,2,0,0,0,0|2,0,0]=4 13660 B11R0.40 C=CC(O)COCCSCCC 34a_200000230433_100000730141 [0,2,0,0,0,0|2,0,0]=4 13661 B11R0.40 C=CC(O)COCCSCCC 7a_200000230433_100000730141 [0,2,0,0,0,0|2,0,0]=4 13662 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [0,2,0,0,0,0|1,0,0]=3 13663 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [0,2,0,0,0,0|1,0,0]=3 13664 B11R0.40 C=CC(O)CSCCCCCF 62a_100000729378_100000730141 [0,2,0,0,0,0|2,0,0]=4 13665 B11R0.40 C=CC(O)CSCCCCCF 62a_100000730141_100000729378 [0,2,0,0,0,0|2,0,0]=4 13666 B11R0.40 C=CC(O)CSCCCCCO 62a_100000730141_100000746330 [0,2,0,0,0,0|0,0,2]=4 13667 B11R0.40 C=CC(O)CSCCCCCO 62a_100000746330_100000730141 [0,2,0,0,0,0|0,0,2]=4 13668 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730141_100000730899 [0,2,0,0,0,0|2,0,0]=4 13669 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730899_100000730141 [0,2,0,0,0,0|2,0,0]=4 13670 B11R0.40 C=CC(O)CSCCCOCC 62a_100000730141_100012232248 [0,2,0,0,0,0|2,0,0]=4 13671 B11R0.40 C=CC(O)CSCCCOCC 62a_100012232248_100000730141 [0,2,0,0,0,0|2,0,0]=4 13672 B11R0.40 C=CC(O)CSCCOCCC 62a_100000730141_100011215938 [0,2,0,0,0,0|2,0,0]=4 13673 B11R0.40 C=CC(O)CSCCOCCC 62a_100011215938_100000730141 [0,2,0,0,0,0|2,0,0]=4 13674 B11R0.40 C=CC(O)CSCOCCCC 62a_100000730141_100011995733 [0,2,0,0,0,0|2,0,0]=4 13675 B11R0.40 C=CC(O)CSCOCCCC 62a_100011995733_100000730141 [0,2,0,0,0,0|2,0,0]=4 13676 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,2,0,0,0,0|1,0,1]=4 13677 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,2,0,0,0,0|1,0,1]=4 13678 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,2,0,0,0,0|0,0,2]=4 13679 B11R0.40 C=CCCCCCCN(C)CC 2230a_100000225621_100011215473 [0,2,0,0,0,0|1,0,1]=4 13680 B11R0.40 C=CCCCCCCN(C)CC 269982a_100000225621_100011215473 [0,2,0,0,0,0|1,0,1]=4 13681 B11R0.40 C=CCCCCCNC(C)CC 2230a_100000209981_100000700193 [0,2,0,0,0,0|1,0,1]=4 13682 B11R0.40 C=CCCCCCN[C@H](C)CO 2230a_100000737577_100000700193 [0,2,0,0,0,0|0,0,2]=4 13683 B11R0.40 C=CCCCCCOC(C)CC 34a_100011216702_100011215416 [0,2,0,0,0,0|1,0,1]=4 13684 B11R0.40 C=CCCCCCOC(C)CC 7a_100000210228_100000700193 [0,2,0,0,0,0|1,0,1]=4 13685 B11R0.40 C=CCCCCCOC(C)CC 7a_100011216702_100000758301 [0,2,0,0,0,0|1,0,1]=4 13686 B11R0.40 C=CCCCCCOC(C)CO 34a_100011216702_100012180447 [0,2,0,0,0,0|0,0,2]=4 13687 B11R0.40 C=CCCCCCOC(C)CO 7a_100011216702_100012180447 [0,2,0,0,0,0|0,0,2]=4 13688 B11R0.40 C=CCCCCCSC(C)CC 62a_100000700193_100000758301 [0,2,0,0,0,0|1,0,1]=4 13689 B11R0.40 C=CCCCCCSC(C)CC 62a_100000758301_100000700193 [0,2,0,0,0,0|1,0,1]=4 13690 B11R0.40 C=CCCCCCSC(C)CO 62a_100012180447_100000700193 [0,2,0,0,0,0|0,0,2]=4 13691 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100000700193_100016084084 [0,2,0,0,0,0|0,0,2]=4 13692 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100016084084_100000700193 [0,2,0,0,0,0|0,0,2]=4 13693 B11R0.40 C=CCCCCNCC(C)CC 2230a_100000703577_100000748023 [0,2,0,0,0,0|1,0,1]=4 13694 B11R0.40 C=CCCCCNCC(C)CC 2230a_100020588543_100011215482 [0,2,0,0,0,0|1,0,1]=4 13695 B11R0.40 C=CCCCCNCC(C)CC 270004a_100000703577_100000243153 [0,2,0,0,0,0|1,0,1]=4 13696 B11R0.40 C=CCCCCNCC(C)CC 34a_100000703577_100000748023 [0,2,0,0,0,0|1,0,1]=4 13697 B11R0.40 C=CCCCCNCC(C)CO 34a_100000744482_100011215482 [0,2,0,0,0,0|0,0,2]=4 13698 B11R0.40 C=CCCCCNCC(O)CC 2230a_100000703577_100011218378 [0,2,0,0,0,0|1,0,1]=4 13699 B11R0.40 C=CCCCCNCC(O)CC 2230a_100011218483_100011215482 [0,2,0,0,0,0|1,0,1]=4 13700 B11R0.40 C=CCCCCNCC(O)CC 34a_100000703577_100011218378 [0,2,0,0,0,0|1,0,1]=4 13701 B11R0.40 C=CCCCCNCC(O)CO 2230a_100000703577_100011219619 [0,2,0,0,0,0|0,0,2]=4 13702 B11R0.40 C=CCCCCNCC(O)CO 34a_100000703577_100011219619 [0,2,0,0,0,0|0,0,2]=4 13703 B11R0.40 C=CCCCCNC[C@@H](C)CC 2230a_100000703577_100009816398 [0,2,0,0,0,0|1,0,1]=4 13704 B11R0.40 C=CCCCCNC[C@@H](C)CC 34a_100000703577_100009816398 [0,2,0,0,0,0|1,0,1]=4 13705 B11R0.40 C=CCCCCNC[C@@H](C)CO 2230a_100000703577_100000059175 [0,2,0,0,0,0|0,0,2]=4 13706 B11R0.40 C=CCCCCNC[C@@H](C)CO 34a_100000703577_100000059175 [0,2,0,0,0,0|0,0,2]=4 13707 B11R0.40 C=CCCCCNC[C@@H](F)CO 34a_100015665980_100011215482 [0,2,0,0,0,0|0,0,2]=4 13708 B11R0.40 C=CCCCCNC[C@@H](O)CO 2230a_100000703577_100009815848 [0,2,0,0,0,0|0,0,2]=4 13709 B11R0.40 C=CCCCCNC[C@@H](O)CO 34a_100000703577_100009815848 [0,2,0,0,0,0|0,0,2]=4 13710 B11R0.40 C=CCCCCNC[C@H](O)CO 2230a_100020644852_100011215482 [0,2,0,0,0,0|0,0,2]=4 13711 B11R0.40 C=CCCCCOCC(C)CC 34a_100000766645_100000748023 [0,2,0,0,0,0|1,0,1]=4 13712 B11R0.40 C=CCCCCOCC(C)CC 7a_100000766645_100000748023 [0,2,0,0,0,0|1,0,1]=4 13713 B11R0.40 C=CCCCCOCC(O)CC 34a_100000766645_100011218378 [0,2,0,0,0,0|1,0,1]=4 13714 B11R0.40 C=CCCCCOCC(O)CC 7a_100000766645_100011218378 [0,2,0,0,0,0|1,0,1]=4 13715 B11R0.40 C=CCCCCOCC(O)CO 34a_100000766645_100011219619 [0,2,0,0,0,0|0,0,2]=4 13716 B11R0.40 C=CCCCCOCC(O)CO 7a_100000766645_100011219619 [0,2,0,0,0,0|0,0,2]=4 13717 B11R0.40 C=CCCCCOC[C@@H](C)CC 34a_100000766645_100009816398 [0,2,0,0,0,0|1,0,1]=4 13718 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100000766645_100009816398 [0,2,0,0,0,0|1,0,1]=4 13719 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100009816381_100011215482 [0,2,0,0,0,0|1,0,1]=4 13720 B11R0.40 C=CCCCCOC[C@@H](C)CO 34a_100000766645_100000059175 [0,2,0,0,0,0|0,0,2]=4 13721 B11R0.40 C=CCCCCOC[C@@H](C)CO 7a_100000766645_100000059175 [0,2,0,0,0,0|0,0,2]=4 13722 B11R0.40 C=CCCCCOC[C@@H](O)CO 34a_100000766645_100009815848 [0,2,0,0,0,0|0,0,2]=4 13723 B11R0.40 C=CCCCCOC[C@@H](O)CO 7a_100000766645_100009815848 [0,2,0,0,0,0|0,0,2]=4 13724 B11R0.40 C=CCCCCSCC(C)CC 62a_100000748023_100011215482 [0,2,0,0,0,0|1,0,1]=4 13725 B11R0.40 C=CCCCCSCC(C)CC 62a_100011215482_100000748023 [0,2,0,0,0,0|1,0,1]=4 13726 B11R0.40 C=CCCCCSCC(O)CC 62a_100011215482_100011218378 [0,2,0,0,0,0|1,0,1]=4 13727 B11R0.40 C=CCCCCSCC(O)CC 62a_100011218378_100011215482 [0,2,0,0,0,0|1,0,1]=4 13728 B11R0.40 C=CCCCCSCC(O)CO 62a_100011215482_100011219619 [0,2,0,0,0,0|0,0,2]=4 13729 B11R0.40 C=CCCCCSCC(O)CO 62a_100011219619_100011215482 [0,2,0,0,0,0|0,0,2]=4 13730 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100009816398_100011215482 [0,2,0,0,0,0|1,0,1]=4 13731 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100011215482_100009816398 [0,2,0,0,0,0|1,0,1]=4 13732 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100000059175_100011215482 [0,2,0,0,0,0|0,0,2]=4 13733 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100011215482_100000059175 [0,2,0,0,0,0|0,0,2]=4 13734 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100009815848_100011215482 [0,2,0,0,0,0|0,0,2]=4 13735 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100011215482_100009815848 [0,2,0,0,0,0|0,0,2]=4 13736 B11R0.40 C=CCCCNCCC(C)CC 2230a_100020591266_100011713584 [0,2,0,0,0,0|1,0,1]=4 13737 B11R0.40 C=CCCCNCCC(C)CO 2230a_106354213184_100011713584 [0,2,0,0,0,0|0,0,2]=4 13738 B11R0.40 C=CCCCNCCC(C)CO 34a_106354213184_100000757094 [0,2,0,0,0,0|0,0,2]=4 13739 B11R0.40 C=CCCCOCCC(C)CC 7a_100011215188_100000757094 [0,2,0,0,0,0|1,0,1]=4 13740 B11R0.40 C=CCCOCCCC(C)CC 7a_100011216074_100000754431 [0,2,0,0,0,0|1,0,1]=4 13741 B11R0.40 C=C[C@H](N)COCCCCCC 34a_100016989147_100000210314 [0,2,0,0,0,0|1,0,1]=4 13742 B11R0.40 C=C[C@H](N)COCCCCCO 34a_100016989147_100000746330 [0,2,0,0,0,0|0,0,2]=4 13743 B11R0.40 CC(C#N)NCCCCCCF 2230a_100000737613_100015922095 [0,2,0,0,0,0|2,0,0]=4 13744 B11R0.40 CC(C#N)NCCCCCCO 2230a_100000686447_100000184139 [0,2,0,0,0,0|1,0,0]=3 13745 B11R0.40 CC(C#N)NCCCCCCO 2230a_100000737613_100000766143 [0,2,0,0,0,0|1,0,0]=3 13746 B11R0.40 CC(C#N)OCCCCCCBr 7a_100011215345_100000703298 [0,2,0,0,0,0|2,0,0]=4 13747 B11R0.40 CC(C#N)OCCCCCCCl 7a_100000766143_100000703298 [0,2,0,0,0,0|2,0,0]=4 13748 B11R0.40 CC(C#N)OCCCCCCF 34a_100011218135_100015922095 [0,2,0,0,0,0|2,0,0]=4 13749 B11R0.40 CC(C#N)OCCCCCCF 7a_100000732779_100000703298 [0,2,0,0,0,0|2,0,0]=4 13750 B11R0.40 CC(C#N)OCCCCCCO 34a_100011218135_100000766143 [0,2,0,0,0,0|1,0,0]=3 13751 B11R0.40 CC(C#N)SCCCCCCF 62a_100000703298_100015922095 [0,2,0,0,0,0|2,0,0]=4 13752 B11R0.40 CC(C#N)SCCCCCCF 62a_100015922095_100000703298 [0,2,0,0,0,0|2,0,0]=4 13753 B11R0.40 CC(C#N)SCCCCCCO 62a_100000703298_100000766143 [0,2,0,0,0,0|1,0,0]=3 13754 B11R0.40 CC(C#N)SCCCCCCO 62a_100000766143_100000703298 [0,2,0,0,0,0|1,0,0]=3 13755 B11R0.40 CC(CF)OCCCCCCF 34a_100016041109_100015922095 [0,2,0,0,0,0|2,0,0]=4 13756 B11R0.40 CC(CF)OCCCCCCF 7a_100016041109_100015922095 [0,2,0,0,0,0|2,0,0]=4 13757 B11R0.40 CC(CF)OCCCCCCO 34a_100016041109_100000766143 [0,2,0,0,0,0|1,0,0]=3 13758 B11R0.40 CC(CF)OCCCCCCO 7a_100016041109_100000766143 [0,2,0,0,0,0|1,0,0]=3 13759 B11R0.40 CC(CN)COCCCCCF 34a_100000744482_100000729378 [0,2,0,0,0,0|2,0,0]=4 13760 B11R0.40 CC(CN)COCCCCCO 34a_100000744482_100000746330 [0,2,0,0,0,0|1,0,0]=3 13761 B11R0.40 CC(CN)COCCOCCO 34a_100000744482_100000692535 [0,2,0,0,0,0|2,0,0]=4 13762 B11R0.40 CC(CN)OCCCCCCF 34a_100000210904_100015922095 [0,2,0,0,0,0|2,0,0]=4 13763 B11R0.40 CC(CN)OCCCCCCO 34a_100000210904_100000766143 [0,2,0,0,0,0|1,0,0]=3 13764 B11R0.40 CC(CO)CCNCCCC#N 2230a_106354213184_100000687738 [0,2,0,0,0,0|1,0,1]=4 13765 B11R0.40 CC(CO)CCNCCCC=O 2230a_106354213184_200011292268 [0,2,0,0,0,0|1,0,1]=4 13766 B11R0.40 CC(CO)CCNCCCCF 2230a_106354213184_100000729493 [0,2,0,0,0,0|1,0,0]=3 13767 B11R0.40 CC(CO)CCNCCCCF 34a_106354213184_100000729493 [0,2,0,0,0,0|1,0,0]=3 13768 B11R0.40 CC(CO)CCNCCCCO 2230a_106354213184_100000210776 [0,2,0,0,0,0|1,0,0]=3 13769 B11R0.40 CC(CO)CCNCCCCO 34a_106354213184_100011216708 [0,2,0,0,0,0|1,0,0]=3 13770 B11R0.40 CC(CO)CNCCCCCF 34a_100000744482_100000729378 [0,2,0,0,0,0|1,0,0]=3 13771 B11R0.40 CC(CO)CNCCCCCO 34a_100000744482_100000746330 [0,2,0,0,0,0|1,0,0]=3 13772 B11R0.40 CC(CO)CNCCOCCO 34a_100000744482_100000692535 [0,2,0,0,0,0|2,0,0]=4 13773 B11R0.40 CC(CO)NCCCCCCO 2230a_100000686447_100012180447 [0,2,0,0,0,0|1,0,0]=3 13774 B11R0.40 CC(CO)NCCCCCCO 34a_100000686447_100012180447 [0,2,0,0,0,0|1,0,0]=3 13775 B11R0.40 CC(CO)OCCCCCCBr 34a_100011215345_100012180447 [0,2,0,0,0,0|1,0,0]=3 13776 B11R0.40 CC(CO)OCCCCCCBr 7a_100011215345_100012180447 [0,2,0,0,0,0|1,0,0]=3 13777 B11R0.40 CC(CO)OCCCCCCCl 34a_100000766143_100012180447 [0,2,0,0,0,0|1,0,0]=3 13778 B11R0.40 CC(CO)OCCCCCCCl 7a_100000766143_100012180447 [0,2,0,0,0,0|1,0,0]=3 13779 B11R0.40 CC(CO)OCCCCCCF 34a_100000732779_100012180447 [0,2,0,0,0,0|1,0,0]=3 13780 B11R0.40 CC(CO)OCCCCCCF 7a_100000732779_100012180447 [0,2,0,0,0,0|1,0,0]=3 13781 B11R0.40 CC(CO)OCCCCCCN 34a_100000686447_100012180447 [0,2,0,0,0,0|1,0,0]=3 13782 B11R0.40 CC(CO)SCCCCCC#N 62a_100012180447_100009813376 [0,2,0,0,0,0|1,0,1]=4 13783 B11R0.40 CC(CO)SCCCCCC=O 62a_100012180447_100000139337 [0,2,0,0,0,0|1,0,1]=4 13784 B11R0.40 CC(CO)SCCCCCCF 62a_100012180447_100015922095 [0,2,0,0,0,0|1,0,0]=3 13785 B11R0.40 CC(CO)SCCCCCCO 62a_100012180447_100000766143 [0,2,0,0,0,0|1,0,0]=3 13786 B11R0.40 CC/C=C/CCCOC(C)CO 34a_100016287902_100012180447 [0,2,0,0,0,0|0,0,2]=4 13787 B11R0.40 CC/C=C/CCCOC(C)CO 7a_100016287902_100012180447 [0,2,0,0,0,0|0,0,2]=4 13788 B11R0.40 CC/C=C\CCNCC(C)CO 34a_100000744482_100015370543 [0,2,0,0,0,0|0,0,2]=4 13789 B11R0.40 CC/C=C\CCNC[C@@H](F)CO 34a_100015665980_100015370543 [0,2,0,0,0,0|0,0,2]=4 13790 B11R0.40 CC/C=C\CCNC[C@H](O)CO 2230a_100020644852_100015370543 [0,2,0,0,0,0|0,0,2]=4 13791 B11R0.40 CC/C=C\CCOCC(O)CO 34a_100016288707_100011219619 [0,2,0,0,0,0|0,0,2]=4 13792 B11R0.40 CC/C=C\CCOCC(O)CO 7a_100016288707_100011219619 [0,2,0,0,0,0|0,0,2]=4 13793 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 34a_100016288707_100000059175 [0,2,0,0,0,0|0,0,2]=4 13794 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 7a_100016288707_100000059175 [0,2,0,0,0,0|0,0,2]=4 13795 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 34a_100016288707_100009815848 [0,2,0,0,0,0|0,0,2]=4 13796 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 7a_100016288707_100009815848 [0,2,0,0,0,0|0,0,2]=4 13797 B11R0.40 CC/C=C\CCSCC(O)CO 62a_100011219619_100015370543 [0,2,0,0,0,0|0,0,2]=4 13798 B11R0.40 CC/C=C\CCSCC(O)CO 62a_100015370543_100011219619 [0,2,0,0,0,0|0,0,2]=4 13799 B11R0.40 CC/C=C\CCSC[C@@H](C)CO 62a_100000059175_100015370543 [0,2,0,0,0,0|0,0,2]=4 13800 B11R0.40 CC/C=C\CCSC[C@@H](C)CO 62a_100015370543_100000059175 [0,2,0,0,0,0|0,0,2]=4 13801 B11R0.40 CC/C=C\CCSC[C@@H](O)CO 62a_100009815848_100015370543 [0,2,0,0,0,0|0,0,2]=4 13802 B11R0.40 CC/C=C\CCSC[C@@H](O)CO 62a_100015370543_100009815848 [0,2,0,0,0,0|0,0,2]=4 13803 B11R0.40 CC/C=C\CNCCC(C)CO 2230a_106354213184_100103147603 [0,2,0,0,0,0|0,0,2]=4 13804 B11R0.40 CC/C=C\CNCCC(C)CO 34a_106354213184_100103147603 [0,2,0,0,0,0|0,0,2]=4 13805 B11R0.40 CC=CCCCOCC(O)CO 34a_100020645299_100011219619 [0,2,0,0,0,0|0,0,2]=4 13806 B11R0.40 CC=CCCCOC[C@@H](C)CO 34a_100020645299_100000059175 [0,2,0,0,0,0|0,0,2]=4 13807 B11R0.40 CC=CCCCOC[C@@H](O)CO 34a_100020645299_100009815848 [0,2,0,0,0,0|0,0,2]=4 13808 B11R0.40 CCC#CCCOCC(O)CO 34a_100000036655_100011219619 [0,2,0,0,0,0|0,0,2]=4 13809 B11R0.40 CCC#CCCOCC(O)CO 7a_100000036655_100011219619 [0,2,0,0,0,0|0,0,2]=4 13810 B11R0.40 CCC#CCCOC[C@@H](C)CO 34a_100000036655_100000059175 [0,2,0,0,0,0|0,0,2]=4 13811 B11R0.40 CCC#CCCOC[C@@H](C)CO 7a_100000036655_100000059175 [0,2,0,0,0,0|0,0,2]=4 13812 B11R0.40 CCC#CCCOC[C@@H](O)CO 34a_100000036655_100009815848 [0,2,0,0,0,0|0,0,2]=4 13813 B11R0.40 CCC#CCCOC[C@@H](O)CO 7a_100000036655_100009815848 [0,2,0,0,0,0|0,0,2]=4 13814 B11R0.40 CCC#CCNCCC(C)CO 2230a_106354213184_100009813939 [0,2,0,0,0,0|0,0,2]=4 13815 B11R0.40 CCC#CCNCCC(C)CO 34a_106354213184_100009813939 [0,2,0,0,0,0|0,0,2]=4 13816 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,2,0,0,0,0|1,0,1]=4 13817 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,2,0,0,0,0|0,0,0]=2 13818 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,2,0,0,0,0|0,0,0]=2 13819 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,2,0,0,0,0|0,0,1]=3 13820 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,2,0,0,0,0|1,0,1]=4 13821 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,2,0,0,0,0|1,0,1]=4 13822 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,2,0,0,0,0|1,0,1]=4 13823 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,2,0,0,0,0|1,0,1]=4 13824 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,2,0,0,0,0|1,0,1]=4 13825 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,2,0,0,0,0|0,0,1]=3 13826 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,2,0,0,0,0|1,0,1]=4 13827 B11R0.40 CCC(=O)COCCOCCO 1458a_106645077154_100000210202 [0,2,0,0,0,0|1,0,1]=4 13828 B11R0.40 CCC(=O)COCCOCCO 34a_100000725409_100000692535 [0,2,0,0,0,0|1,0,1]=4 13829 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,2,0,0,0,0|1,0,1]=4 13830 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,2,0,0,0,0|1,0,1]=4 13831 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,2,0,0,0,0|0,0,1]=3 13832 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,2,0,0,0,0|0,0,1]=3 13833 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,2,0,0,0,0|1,0,1]=4 13834 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,2,0,0,0,0|1,0,1]=4 13835 B11R0.40 CCC(=O)CSCCOCCO 62a_100000747405_100011215305 [0,2,0,0,0,0|1,0,1]=4 13836 B11R0.40 CCC(=O)CSCCOCCO 62a_100011215305_100000747405 [0,2,0,0,0,0|1,0,1]=4 13837 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,2,0,0,0,0|0,0,1]=3 13838 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,2,0,0,0,0|0,0,1]=3 13839 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,2,0,0,0,0|1,0,1]=4 13840 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,2,0,0,0,0|1,0,1]=4 13841 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,2,0,0,0,0|1,0,1]=4 13842 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,2,0,0,0,0|1,0,1]=4 13843 B11R0.40 CCC(=O)NCCNCCCO 34a_100132302217_100000230001 [0,2,0,0,0,0|1,0,1]=4 13844 B11R0.40 CCC(=O)NCCOCCCO 34a_200000158885_100000230001 [0,2,0,0,0,0|1,0,1]=4 13845 B11R0.40 CCC(=O)NCCOCCCO 7a_200000158885_100011215043 [0,2,0,0,0,0|1,0,1]=4 13846 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [0,2,0,0,0,0|1,0,1]=4 13847 B11R0.40 CCC(C)CCCCCOCF 7a_200000035636_100015361967 [0,2,0,0,0,0|1,0,0]=3 13848 B11R0.40 CCC(C)CCCOCCC#N 7a_100011216074_100000184422 [0,2,0,0,0,0|1,0,1]=4 13849 B11R0.40 CCC(C)CCCOCCCF 7a_100011216074_100011934791 [0,2,0,0,0,0|1,0,0]=3 13850 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [0,2,0,0,0,0|0,0,0]=2 13851 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [0,2,0,0,0,0|1,0,0]=3 13852 B11R0.40 CCC(C)CCCOCCSC 7a_100011216074_100000212216 [0,2,0,0,0,0|1,1,0]=4 13853 B11R0.40 CCC(C)CCNCC#CCO 2230a_100020591266_200000047223 [0,2,0,0,0,0|0,0,2]=4 13854 B11R0.40 CCC(C)CCNCCCC#N 2230a_100020591266_100000687738 [0,2,0,0,0,0|1,0,1]=4 13855 B11R0.40 CCC(C)CCNCCCC=O 2230a_100020591266_200011292268 [0,2,0,0,0,0|0,0,2]=4 13856 B11R0.40 CCC(C)CCNCCCCF 2230a_100020591266_100000729493 [0,2,0,0,0,0|1,0,0]=3 13857 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [0,2,0,0,0,0|0,0,0]=2 13858 B11R0.40 CCC(C)CCNCCCOC 2230a_100020591266_100000740836 [0,2,0,0,0,0|1,0,0]=3 13859 B11R0.40 CCC(C)CCOCC#CCO 7a_100011215188_200000047223 [0,2,0,0,0,0|0,0,2]=4 13860 B11R0.40 CCC(C)CCOCCCC#N 7a_100011215188_100000687738 [0,2,0,0,0,0|1,0,1]=4 13861 B11R0.40 CCC(C)CCOCCCC=O 7a_100011215188_200011292268 [0,2,0,0,0,0|0,0,2]=4 13862 B11R0.40 CCC(C)CCOCCCCF 7a_100011215188_100000729493 [0,2,0,0,0,0|1,0,0]=3 13863 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [0,2,0,0,0,0|0,0,0]=2 13864 B11R0.40 CCC(C)CCOCCCOC 7a_100011215188_100000740836 [0,2,0,0,0,0|1,0,0]=3 13865 B11R0.40 CCC(C)CNCCCCC#N 2230a_100020588543_100000211819 [0,2,0,0,0,0|1,0,1]=4 13866 B11R0.40 CCC(C)CNCCCCC#N 270004a_100000751965_100000243153 [0,2,0,0,0,0|1,0,1]=4 13867 B11R0.40 CCC(C)CNCCCCC=O 2230a_100020588543_100000139335 [0,2,0,0,0,0|0,0,2]=4 13868 B11R0.40 CCC(C)CNCCCCCF 2230a_100020588543_100000729378 [0,2,0,0,0,0|1,0,0]=3 13869 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [0,2,0,0,0,0|0,0,0]=2 13870 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [0,2,0,0,0,0|0,0,0]=2 13871 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [0,2,0,0,0,0|0,0,0]=2 13872 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [0,2,0,0,0,0|0,0,0]=2 13873 B11R0.40 CCC(C)CNCCCCOC 2230a_100020588543_100000730899 [0,2,0,0,0,0|1,0,0]=3 13874 B11R0.40 CCC(C)CNCCOCCO 2230a_100000211614_100000748023 [0,2,0,0,0,0|1,0,0]=3 13875 B11R0.40 CCC(C)CNCCOCCO 2230a_100020588543_100011215305 [0,2,0,0,0,0|1,0,0]=3 13876 B11R0.40 CCC(C)CNCCOCCO 270004a_100000211614_100000243153 [0,2,0,0,0,0|1,0,0]=3 13877 B11R0.40 CCC(C)CNCCOCCO 34a_100000211614_100000748023 [0,2,0,0,0,0|1,0,0]=3 13878 B11R0.40 CCC(C)CNCCSCCO 2230a_100011219999_100000748023 [0,2,0,0,0,0|1,0,0]=3 13879 B11R0.40 CCC(C)CNCCSCCO 270004a_100011219999_100000243153 [0,2,0,0,0,0|1,0,0]=3 13880 B11R0.40 CCC(C)CNCOCCOC 2230a_100020588543_100000231047 [0,2,0,0,0,0|2,0,0]=4 13881 B11R0.40 CCC(C)COCCCCCBr 34a_100000746331_100000748023 [0,2,0,0,0,0|1,0,0]=3 13882 B11R0.40 CCC(C)COCCCCCBr 7a_100000746331_100000748023 [0,2,0,0,0,0|1,0,0]=3 13883 B11R0.40 CCC(C)COCCCCCCl 34a_100000746330_100000748023 [0,2,0,0,0,0|1,0,0]=3 13884 B11R0.40 CCC(C)COCCCCCCl 7a_100000746330_100000748023 [0,2,0,0,0,0|1,0,0]=3 13885 B11R0.40 CCC(C)COCCCCCI 34a_200012148887_100000748023 [0,2,0,0,0,0|1,0,0]=3 13886 B11R0.40 CCC(C)COCCCCCI 7a_200012148887_100000748023 [0,2,0,0,0,0|1,0,0]=3 13887 B11R0.40 CCC(C)COCCCCCN 34a_100000762737_100000748023 [0,2,0,0,0,0|1,0,0]=3 13888 B11R0.40 CCC(C)COCCCCOC 34a_100000740925_100000748023 [0,2,0,0,0,0|1,0,0]=3 13889 B11R0.40 CCC(C)COCCCCSC 34a_100011217163_100000748023 [0,2,0,0,0,0|1,1,0]=4 13890 B11R0.40 CCC(C)COCCCCSC 7a_100011217163_100000748023 [0,2,0,0,0,0|1,1,0]=4 13891 B11R0.40 CCC(C)COCCOCCBr 34a_100000692535_100000748023 [0,2,0,0,0,0|2,0,0]=4 13892 B11R0.40 CCC(C)COCCOCCBr 7a_100000692535_100000748023 [0,2,0,0,0,0|2,0,0]=4 13893 B11R0.40 CCC(C)COCCOCCCl 34a_100011215305_100000748023 [0,2,0,0,0,0|2,0,0]=4 13894 B11R0.40 CCC(C)COCCOCCCl 7a_100011215305_100000748023 [0,2,0,0,0,0|2,0,0]=4 13895 B11R0.40 CCC(C)COCCOCCF 34a_200015357709_100000748023 [0,2,0,0,0,0|2,0,0]=4 13896 B11R0.40 CCC(C)COCCOCCF 7a_200015357709_100000748023 [0,2,0,0,0,0|2,0,0]=4 13897 B11R0.40 CCC(C)COCCOCCI 34a_100012149058_100000748023 [0,2,0,0,0,0|2,0,0]=4 13898 B11R0.40 CCC(C)COCCOCCI 7a_100012149058_100000748023 [0,2,0,0,0,0|2,0,0]=4 13899 B11R0.40 CCC(C)COCCOCCN 34a_100000211614_100000748023 [0,2,0,0,0,0|2,0,0]=4 13900 B11R0.40 CCC(C)CSCCCCC#N 62a_100000748023_100000211819 [0,2,0,0,0,0|1,0,1]=4 13901 B11R0.40 CCC(C)CSCCCCC#N 62a_100011219923_100000748023 [0,2,0,0,0,0|1,0,1]=4 13902 B11R0.40 CCC(C)CSCCCCC=O 62a_100000139335_100000748023 [0,2,0,0,0,0|0,0,2]=4 13903 B11R0.40 CCC(C)CSCCCCC=O 62a_100000748023_100000139335 [0,2,0,0,0,0|0,0,2]=4 13904 B11R0.40 CCC(C)CSCCCCCF 62a_100000729378_100000748023 [0,2,0,0,0,0|1,0,0]=3 13905 B11R0.40 CCC(C)CSCCCCCF 62a_100000748023_100000729378 [0,2,0,0,0,0|1,0,0]=3 13906 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [0,2,0,0,0,0|0,0,0]=2 13907 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [0,2,0,0,0,0|0,0,0]=2 13908 B11R0.40 CCC(C)CSCCCCOC 62a_100000730899_100000748023 [0,2,0,0,0,0|1,0,0]=3 13909 B11R0.40 CCC(C)CSCCCCOC 62a_100000748023_100000730899 [0,2,0,0,0,0|1,0,0]=3 13910 B11R0.40 CCC(C)CSCCOCCO 62a_100000748023_100011215305 [0,2,0,0,0,0|1,0,0]=3 13911 B11R0.40 CCC(C)CSCCOCCO 62a_100011215305_100000748023 [0,2,0,0,0,0|1,0,0]=3 13912 B11R0.40 CCC(C)CSCOCCOC 62a_100000231047_100000748023 [0,2,0,0,0,0|2,0,0]=4 13913 B11R0.40 CCC(C)CSCOCCOC 62a_100000748023_100000231047 [0,2,0,0,0,0|2,0,0]=4 13914 B11R0.40 CCC(C)NCCCCCC#N 2230a_100000209981_100009813376 [0,2,0,0,0,0|1,0,1]=4 13915 B11R0.40 CCC(C)NCCCCCC=O 2230a_100000209981_100000139337 [0,2,0,0,0,0|0,0,2]=4 13916 B11R0.40 CCC(C)NCCCCCCF 2230a_100000209981_100015922095 [0,2,0,0,0,0|1,0,0]=3 13917 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [0,2,0,0,0,0|0,0,0]=2 13918 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [0,2,0,0,0,0|0,0,0]=2 13919 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [0,2,0,0,0,0|0,0,0]=2 13920 B11R0.40 CCC(C)NCCCCCOC 2230a_100000747528_100000758301 [0,2,0,0,0,0|1,0,0]=3 13921 B11R0.40 CCC(C)NCCCCCOC 34a_100000747528_100011215416 [0,2,0,0,0,0|1,0,0]=3 13922 B11R0.40 CCC(C)NCCOCCOC 2230a_100000209981_100000695917 [0,2,0,0,0,0|2,0,0]=4 13923 B11R0.40 CCC(C)NCCOCCOC 2230a_100000745349_100000758301 [0,2,0,0,0,0|2,0,0]=4 13924 B11R0.40 CCC(C)NCCOCCOC 34a_100000745349_100011215416 [0,2,0,0,0,0|2,0,0]=4 13925 B11R0.40 CCC(C)NN=CCCCCO 4a_100000718999_100000031955 [0,2,0,0,0,0|1,0,1]=4 13926 B11R0.40 CCC(C)OCCCCCC#N 7a_100000210228_100009813376 [0,2,0,0,0,0|1,0,1]=4 13927 B11R0.40 CCC(C)OCCCCCC=O 7a_100000210228_100000139337 [0,2,0,0,0,0|0,0,2]=4 13928 B11R0.40 CCC(C)OCCCCCCBr 34a_100011215345_100011215416 [0,2,0,0,0,0|1,0,0]=3 13929 B11R0.40 CCC(C)OCCCCCCBr 7a_100011215345_100000758301 [0,2,0,0,0,0|1,0,0]=3 13930 B11R0.40 CCC(C)OCCCCCCCl 34a_100000766143_100011215416 [0,2,0,0,0,0|1,0,0]=3 13931 B11R0.40 CCC(C)OCCCCCCCl 7a_100000766143_100000758301 [0,2,0,0,0,0|1,0,0]=3 13932 B11R0.40 CCC(C)OCCCCCCF 34a_100000732779_100011215416 [0,2,0,0,0,0|1,0,0]=3 13933 B11R0.40 CCC(C)OCCCCCCF 7a_100000210228_100015922095 [0,2,0,0,0,0|1,0,0]=3 13934 B11R0.40 CCC(C)OCCCCCCF 7a_100000732779_100000758301 [0,2,0,0,0,0|1,0,0]=3 13935 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [0,2,0,0,0,0|1,0,0]=3 13936 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,2,0,0,0,0|0,0,0]=2 13937 B11R0.40 CCC(C)OCCCCCNC 34a_100000722520_100011215416 [0,2,0,0,0,0|2,0,0]=4 13938 B11R0.40 CCC(C)OCCOCCOC 34a_100011215163_100011215416 [0,2,0,0,0,0|2,0,0]=4 13939 B11R0.40 CCC(C)OCCOCCOC 7a_100000210228_100000695917 [0,2,0,0,0,0|2,0,0]=4 13940 B11R0.40 CCC(C)OCCOCCOC 7a_100011215163_100000758301 [0,2,0,0,0,0|2,0,0]=4 13941 B11R0.40 CCC(C)SCCCCCC#N 62a_100000758301_100009813376 [0,2,0,0,0,0|1,0,1]=4 13942 B11R0.40 CCC(C)SCCCCCC#N 62a_100009813376_100000758301 [0,2,0,0,0,0|1,0,1]=4 13943 B11R0.40 CCC(C)SCCCCCC=O 62a_100000139337_100000758301 [0,2,0,0,0,0|0,0,2]=4 13944 B11R0.40 CCC(C)SCCCCCC=O 62a_100000758301_100000139337 [0,2,0,0,0,0|0,0,2]=4 13945 B11R0.40 CCC(C)SCCCCCCF 62a_100000758301_100015922095 [0,2,0,0,0,0|1,0,0]=3 13946 B11R0.40 CCC(C)SCCCCCCF 62a_100015922095_100000758301 [0,2,0,0,0,0|1,0,0]=3 13947 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [0,2,0,0,0,0|0,0,0]=2 13948 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [0,2,0,0,0,0|0,0,0]=2 13949 B11R0.40 CCC(C)SCCOCCOC 62a_100000695917_100000758301 [0,2,0,0,0,0|2,0,0]=4 13950 B11R0.40 CCC(C)SCCOCCOC 62a_100000758301_100000695917 [0,2,0,0,0,0|2,0,0]=4 13951 B11R0.40 CCC(O)CNCCCCC#N 2230a_100011218483_100000211819 [0,2,0,0,0,0|1,0,1]=4 13952 B11R0.40 CCC(O)CNCCCCC=O 2230a_100011218483_100000139335 [0,2,0,0,0,0|0,0,2]=4 13953 B11R0.40 CCC(O)CNCCCCCF 2230a_100011218483_100000729378 [0,2,0,0,0,0|1,0,0]=3 13954 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [0,2,0,0,0,0|0,0,0]=2 13955 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [0,2,0,0,0,0|0,0,0]=2 13956 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [0,2,0,0,0,0|0,0,0]=2 13957 B11R0.40 CCC(O)CNCCCCOC 2230a_100011218483_100000730899 [0,2,0,0,0,0|1,0,0]=3 13958 B11R0.40 CCC(O)CNCCOCCO 2230a_100000211614_100011218378 [0,2,0,0,0,0|1,0,0]=3 13959 B11R0.40 CCC(O)CNCCOCCO 2230a_100011218483_100011215305 [0,2,0,0,0,0|1,0,0]=3 13960 B11R0.40 CCC(O)CNCCOCCO 34a_100000211614_100011218378 [0,2,0,0,0,0|1,0,0]=3 13961 B11R0.40 CCC(O)CNCCSCCO 2230a_100011219999_100011218378 [0,2,0,0,0,0|1,0,0]=3 13962 B11R0.40 CCC(O)CNCOCCOC 2230a_100011218483_100000231047 [0,2,0,0,0,0|2,0,0]=4 13963 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [0,2,0,0,0,0|1,0,0]=3 13964 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [0,2,0,0,0,0|1,0,0]=3 13965 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [0,2,0,0,0,0|1,0,0]=3 13966 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [0,2,0,0,0,0|1,0,0]=3 13967 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [0,2,0,0,0,0|1,0,0]=3 13968 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [0,2,0,0,0,0|1,0,0]=3 13969 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [0,2,0,0,0,0|1,0,0]=3 13970 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [0,2,0,0,0,0|1,0,0]=3 13971 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [0,2,0,0,0,0|1,1,0]=4 13972 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [0,2,0,0,0,0|1,1,0]=4 13973 B11R0.40 CCC(O)COCCOCCBr 34a_100000692535_100011218378 [0,2,0,0,0,0|2,0,0]=4 13974 B11R0.40 CCC(O)COCCOCCBr 7a_100000692535_100011218378 [0,2,0,0,0,0|2,0,0]=4 13975 B11R0.40 CCC(O)COCCOCCCl 34a_100011215305_100011218378 [0,2,0,0,0,0|2,0,0]=4 13976 B11R0.40 CCC(O)COCCOCCCl 7a_100011215305_100011218378 [0,2,0,0,0,0|2,0,0]=4 13977 B11R0.40 CCC(O)COCCOCCF 34a_200015357709_100011218378 [0,2,0,0,0,0|2,0,0]=4 13978 B11R0.40 CCC(O)COCCOCCF 7a_200015357709_100011218378 [0,2,0,0,0,0|2,0,0]=4 13979 B11R0.40 CCC(O)COCCOCCI 34a_100012149058_100011218378 [0,2,0,0,0,0|2,0,0]=4 13980 B11R0.40 CCC(O)COCCOCCI 7a_100012149058_100011218378 [0,2,0,0,0,0|2,0,0]=4 13981 B11R0.40 CCC(O)COCCOCCN 34a_100000211614_100011218378 [0,2,0,0,0,0|2,0,0]=4 13982 B11R0.40 CCC(O)CSCCCCC#N 62a_100011218378_100000211819 [0,2,0,0,0,0|1,0,1]=4 13983 B11R0.40 CCC(O)CSCCCCC#N 62a_100011219923_100011218378 [0,2,0,0,0,0|1,0,1]=4 13984 B11R0.40 CCC(O)CSCCCCC=O 62a_100000139335_100011218378 [0,2,0,0,0,0|0,0,2]=4 13985 B11R0.40 CCC(O)CSCCCCC=O 62a_100011218378_100000139335 [0,2,0,0,0,0|0,0,2]=4 13986 B11R0.40 CCC(O)CSCCCCCF 62a_100000729378_100011218378 [0,2,0,0,0,0|1,0,0]=3 13987 B11R0.40 CCC(O)CSCCCCCF 62a_100011218378_100000729378 [0,2,0,0,0,0|1,0,0]=3 13988 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [0,2,0,0,0,0|0,0,0]=2 13989 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [0,2,0,0,0,0|0,0,0]=2 13990 B11R0.40 CCC(O)CSCCCCOC 62a_100000730899_100011218378 [0,2,0,0,0,0|1,0,0]=3 13991 B11R0.40 CCC(O)CSCCCCOC 62a_100011218378_100000730899 [0,2,0,0,0,0|1,0,0]=3 13992 B11R0.40 CCC(O)CSCCOCCO 62a_100011215305_100011218378 [0,2,0,0,0,0|1,0,0]=3 13993 B11R0.40 CCC(O)CSCCOCCO 62a_100011218378_100011215305 [0,2,0,0,0,0|1,0,0]=3 13994 B11R0.40 CCC(O)CSCOCCOC 62a_100000231047_100011218378 [0,2,0,0,0,0|2,0,0]=4 13995 B11R0.40 CCC(O)CSCOCCOC 62a_100011218378_100000231047 [0,2,0,0,0,0|2,0,0]=4 13996 B11R0.40 CCC/C=C/COCC(O)CO 34a_100016278788_100011219619 [0,2,0,0,0,0|0,0,2]=4 13997 B11R0.40 CCC/C=C/COCC(O)CO 7a_100016278788_100011219619 [0,2,0,0,0,0|0,0,2]=4 13998 B11R0.40 CCC/C=C/COC[C@@H](C)CO 34a_100016278788_100000059175 [0,2,0,0,0,0|0,0,2]=4 13999 B11R0.40 CCC/C=C/COC[C@@H](C)CO 7a_100016278788_100000059175 [0,2,0,0,0,0|0,0,2]=4 14000 B11R0.40 CCC/C=C/COC[C@@H](O)CO 34a_100016278788_100009815848 [0,2,0,0,0,0|0,0,2]=4 14001 B11R0.40 CCC/C=C/COC[C@@H](O)CO 7a_100016278788_100009815848 [0,2,0,0,0,0|0,0,2]=4 14002 B11R0.40 CCCC#CCCOC(C)CO 34a_100000042726_100012180447 [0,2,0,0,0,0|0,0,2]=4 14003 B11R0.40 CCCC#CCCOC(C)CO 7a_100000042726_100012180447 [0,2,0,0,0,0|0,0,2]=4 14004 B11R0.40 CCCC#CCOCC(O)CO 34a_100000034806_100011219619 [0,2,0,0,0,0|0,0,2]=4 14005 B11R0.40 CCCC#CCOCC(O)CO 7a_100000034806_100011219619 [0,2,0,0,0,0|0,0,2]=4 14006 B11R0.40 CCCC#CCOC[C@@H](C)CO 34a_100000034806_100000059175 [0,2,0,0,0,0|0,0,2]=4 14007 B11R0.40 CCCC#CCOC[C@@H](C)CO 7a_100000034806_100000059175 [0,2,0,0,0,0|0,0,2]=4 14008 B11R0.40 CCCC#CCOC[C@@H](O)CO 34a_100000034806_100009815848 [0,2,0,0,0,0|0,0,2]=4 14009 B11R0.40 CCCC#CCOC[C@@H](O)CO 7a_100000034806_100009815848 [0,2,0,0,0,0|0,0,2]=4 14010 B11R0.40 CCCC/C=C/COC(C)CO 34a_200016272032_100012180447 [0,2,0,0,0,0|0,0,2]=4 14011 B11R0.40 CCCC/C=C/COC(C)CO 7a_200016272032_100012180447 [0,2,0,0,0,0|0,0,2]=4 14012 B11R0.40 CCCCC#CCOC(C)CO 34a_200000034558_100012180447 [0,2,0,0,0,0|0,0,2]=4 14013 B11R0.40 CCCCC#CCOC(C)CO 7a_200000034558_100012180447 [0,2,0,0,0,0|0,0,2]=4 14014 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,2,0,0,0,0|0,0,2]=4 14015 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,2,0,0,0,0|1,0,0]=3 14016 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,2,0,0,0,0|1,0,0]=3 14017 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,2,0,0,0,0|1,0,0]=3 14018 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,2,0,0,0,0|0,0,0]=2 14019 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,2,0,0,0,0|0,0,2]=4 14020 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,2,0,0,0,0|0,0,2]=4 14021 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,2,0,0,0,0|0,0,2]=4 14022 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,2,0,0,0,0|0,0,2]=4 14023 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,2,0,0,0,0|1,0,0]=3 14024 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,2,0,0,0,0|0,0,0]=2 14025 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,2,0,0,0,0|0,0,0]=2 14026 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,2,0,0,0,0|0,0,0]=2 14027 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,2,0,0,0,0|0,0,0]=2 14028 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,2,0,0,0,0|1,0,0]=3 14029 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,2,0,0,0,0|1,0,0]=3 14030 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,2,0,0,0,0|1,0,0]=3 14031 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,2,0,0,0,0|1,0,0]=3 14032 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [0,2,0,0,0,0|1,0,0]=3 14033 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,2,0,0,0,0|1,0,1]=4 14034 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,2,0,0,0,0|1,0,1]=4 14035 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,2,0,0,0,0|1,0,1]=4 14036 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,2,0,0,0,0|1,0,1]=4 14037 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,2,0,0,0,0|0,0,1]=3 14038 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,2,0,0,0,0|0,0,1]=3 14039 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000229938_100000184139 [0,2,0,0,0,0|1,0,1]=4 14040 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000737613_100000210681 [0,2,0,0,0,0|1,0,1]=4 14041 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,2,0,0,0,0|1,0,0]=3 14042 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,2,0,0,0,0|1,0,0]=3 14043 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,2,0,0,0,0|0,0,0]=2 14044 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,2,0,0,0,0|0,0,0]=2 14045 B11R0.40 CCCCCCCOC(C)C#N 34a_100011218135_100000210614 [0,2,0,0,0,0|1,0,1]=4 14046 B11R0.40 CCCCCCCOC(C)C#N 7a_100000210272_100000703298 [0,2,0,0,0,0|1,0,1]=4 14047 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [0,2,0,0,0,0|1,0,0]=3 14048 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [0,2,0,0,0,0|1,0,0]=3 14049 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [0,2,0,0,0,0|1,0,0]=3 14050 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [0,2,0,0,0,0|1,0,0]=3 14051 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [0,2,0,0,0,0|1,0,0]=3 14052 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [0,2,0,0,0,0|1,0,0]=3 14053 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,2,0,0,0,0|0,0,0]=2 14054 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,2,0,0,0,0|0,0,0]=2 14055 B11R0.40 CCCCCCCSC(C)C#N 62a_100000210614_100000703298 [0,2,0,0,0,0|1,0,1]=4 14056 B11R0.40 CCCCCCCSC(C)C#N 62a_100000703298_100000210316 [0,2,0,0,0,0|1,0,1]=4 14057 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [0,2,0,0,0,0|1,0,0]=3 14058 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [0,2,0,0,0,0|1,0,0]=3 14059 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,2,0,0,0,0|0,0,0]=2 14060 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,2,0,0,0,0|1,0,0]=3 14061 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,2,0,0,0,0|1,0,0]=3 14062 B11R0.40 CCCCCCCSC(F)C#N 62a_100000210614_200000117898 [0,2,0,0,0,0|1,0,1]=4 14063 B11R0.40 CCCCCCCSC(F)C#N 62a_200000117898_100000210316 [0,2,0,0,0,0|1,0,1]=4 14064 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,2,0,0,0,0|0,0,0]=2 14065 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,2,0,0,0,0|0,0,0]=2 14066 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,2,0,0,0,0|1,0,1]=4 14067 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [0,2,0,0,0,0|1,0,0]=3 14068 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [0,2,0,0,0,0|1,0,0]=3 14069 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [0,2,0,0,0,0|1,0,0]=3 14070 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,2,0,0,0,0|0,0,0]=2 14071 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,2,0,0,0,0|1,0,0]=3 14072 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,2,0,0,0,0|1,0,0]=3 14073 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,2,0,0,0,0|0,0,0]=2 14074 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [0,2,0,0,0,0|1,0,0]=3 14075 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,2,0,0,0,0|0,0,0]=2 14076 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,2,0,0,0,0|1,0,0]=3 14077 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,2,0,0,0,0|0,0,0]=2 14078 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [0,2,0,0,0,0|1,0,0]=3 14079 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,2,0,0,0,0|0,0,0]=2 14080 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,2,0,0,0,0|0,0,0]=2 14081 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,2,0,0,0,0|1,0,1]=4 14082 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,2,0,0,0,0|1,0,1]=4 14083 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,2,0,0,0,0|1,0,1]=4 14084 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,2,0,0,0,0|1,0,1]=4 14085 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [0,2,0,0,0,0|1,0,0]=3 14086 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [0,2,0,0,0,0|1,0,0]=3 14087 B11R0.40 CCCCCCOCC(C)CN 34a_100000744482_100000210314 [0,2,0,0,0,0|1,0,0]=3 14088 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,2,0,0,0,0|1,0,0]=3 14089 B11R0.40 CCCCCCOCC(Cl)CCl 34a_100000033668_100000210314 [0,2,0,0,0,0|1,0,0]=3 14090 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,2,0,0,0,0|1,0,0]=3 14091 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,2,0,0,0,0|1,0,0]=3 14092 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,2,0,0,0,0|0,0,0]=2 14093 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,2,0,0,0,0|0,0,0]=2 14094 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [0,2,0,0,0,0|1,0,0]=3 14095 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [0,2,0,0,0,0|1,0,0]=3 14096 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [0,2,0,0,0,0|1,0,0]=3 14097 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,2,0,0,0,0|0,0,0]=2 14098 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,2,0,0,0,0|0,0,0]=2 14099 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [0,2,0,0,0,0|1,0,0]=3 14100 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [0,2,0,0,0,0|1,0,0]=3 14101 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,2,0,0,0,0|0,0,0]=2 14102 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,2,0,0,0,0|0,0,0]=2 14103 B11R0.40 CCCCCCOC[C@H](F)CN 34a_100015665980_100000210314 [0,2,0,0,0,0|1,0,0]=3 14104 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,2,0,0,0,0|1,0,1]=4 14105 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,2,0,0,0,0|1,0,1]=4 14106 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,2,0,0,0,0|1,0,1]=4 14107 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,2,0,0,0,0|1,0,1]=4 14108 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [0,2,0,0,0,0|1,0,0]=3 14109 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [0,2,0,0,0,0|1,0,0]=3 14110 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,2,0,0,0,0|1,0,0]=3 14111 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,2,0,0,0,0|1,0,0]=3 14112 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,2,0,0,0,0|0,0,0]=2 14113 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,2,0,0,0,0|0,0,0]=2 14114 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [0,2,0,0,0,0|1,0,0]=3 14115 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [0,2,0,0,0,0|1,0,0]=3 14116 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,2,0,0,0,0|0,0,0]=2 14117 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,2,0,0,0,0|0,0,0]=2 14118 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [0,2,0,0,0,0|1,0,0]=3 14119 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [0,2,0,0,0,0|1,0,0]=3 14120 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,2,0,0,0,0|0,0,0]=2 14121 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,2,0,0,0,0|0,0,0]=2 14122 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,2,0,0,0,0|1,0,1]=4 14123 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [0,2,0,0,0,0|1,0,0]=3 14124 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,2,0,0,0,0|0,0,0]=2 14125 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,2,0,0,0,0|0,0,0]=2 14126 B11R0.40 CCCCCNN=CC(O)CO 4a_100000694160_100000033539 [0,2,0,0,0,0|1,0,1]=4 14127 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [0,2,0,0,0,0|1,0,1]=4 14128 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,2,0,0,0,0|1,0,1]=4 14129 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,2,0,0,0,0|1,0,1]=4 14130 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [0,2,0,0,0,0|1,0,0]=3 14131 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [0,2,0,0,0,0|1,0,0]=3 14132 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,2,0,0,0,0|1,0,1]=4 14133 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,2,0,0,0,0|1,0,1]=4 14134 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,2,0,0,0,0|1,0,1]=4 14135 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,2,0,0,0,0|1,0,1]=4 14136 B11R0.40 CCCCNCCCN(C)CC 2230a_100000102301_100015186262 [0,2,0,0,0,0|2,0,0]=4 14137 B11R0.40 CCCCNCCCN(C)CC 7a_106832991798_100015186262 [0,2,0,0,0,0|2,0,0]=4 14138 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,2,0,0,0,0|1,0,1]=4 14139 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,2,0,0,0,0|1,0,1]=4 14140 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [0,2,0,0,0,0|1,0,0]=3 14141 B11R0.40 CCCCOCCCN(C)CC 7a_100000210227_100015186262 [0,2,0,0,0,0|2,0,0]=4 14142 B11R0.40 CCCCOCCC[C@@H](C)CN 34a_100160569302_100000210210 [0,2,0,0,0,0|1,0,0]=3 14143 B11R0.40 CCCCOCCNC(C)CC 2230a_100000209981_100000743108 [0,2,0,0,0,0|2,0,0]=4 14144 B11R0.40 CCCCOCCN[C@H](C)CO 2230a_100000737577_100000743108 [0,2,0,0,0,0|1,0,0]=3 14145 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [0,2,0,0,0,0|2,0,0]=4 14146 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [0,2,0,0,0,0|2,0,0]=4 14147 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [0,2,0,0,0,0|2,0,0]=4 14148 B11R0.40 CCCCOCCOC(C)CF 34a_100016041109_100000743108 [0,2,0,0,0,0|2,0,0]=4 14149 B11R0.40 CCCCOCCOC(C)CF 7a_100016041109_100000743108 [0,2,0,0,0,0|2,0,0]=4 14150 B11R0.40 CCCCOCCOC(C)CN 34a_100000210904_100000743108 [0,2,0,0,0,0|2,0,0]=4 14151 B11R0.40 CCCCOCCOC(C)CO 34a_100000210238_100012180447 [0,2,0,0,0,0|1,0,0]=3 14152 B11R0.40 CCCCOCCOC(C)CO 7a_100000210238_100012180447 [0,2,0,0,0,0|1,0,0]=3 14153 B11R0.40 CCCCOCCSC(C)CC 62a_100000743108_100000758301 [0,2,0,0,0,0|2,0,0]=4 14154 B11R0.40 CCCCOCCSC(C)CC 62a_100000758301_100000743108 [0,2,0,0,0,0|2,0,0]=4 14155 B11R0.40 CCCCOCCSC(C)CO 62a_100012180447_100000743108 [0,2,0,0,0,0|1,0,0]=3 14156 B11R0.40 CCCCOCCSC(C)OC 62a_100000743108_100009879195 [0,2,0,0,0,0|2,0,0]=4 14157 B11R0.40 CCCCOCCSC(C)OC 62a_100009879195_100000743108 [0,2,0,0,0,0|2,0,0]=4 14158 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100000743108_100016084084 [0,2,0,0,0,0|1,0,0]=3 14159 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100016084084_100000743108 [0,2,0,0,0,0|1,0,0]=3 14160 B11R0.40 CCCCOCNCC(C)CC 2230a_100020588543_100011995733 [0,2,0,0,0,0|2,0,0]=4 14161 B11R0.40 CCCCOCNCC(C)CO 34a_100000744482_100011995733 [0,2,0,0,0,0|1,0,0]=3 14162 B11R0.40 CCCCOCNCC(O)CC 2230a_100011218483_100011995733 [0,2,0,0,0,0|2,0,0]=4 14163 B11R0.40 CCCCOCNC[C@@H](C)OC 2230a_100020591295_100011995733 [0,2,0,0,0,0|2,0,0]=4 14164 B11R0.40 CCCCOCNC[C@@H](F)CO 34a_100015665980_100011995733 [0,2,0,0,0,0|1,0,0]=3 14165 B11R0.40 CCCCOCNC[C@H](O)CO 2230a_100020644852_100011995733 [0,2,0,0,0,0|1,0,0]=3 14166 B11R0.40 CCCCOCOCC(C)CN 34a_100000744482_100011995733 [0,2,0,0,0,0|2,0,0]=4 14167 B11R0.40 CCCCOCOCC(C)OC 34a_100000690652_100011995733 [0,2,0,0,0,0|2,0,0]=4 14168 B11R0.40 CCCCOCOCC(Cl)CCl 34a_100000033668_100011995733 [0,2,0,0,0,0|2,0,0]=4 14169 B11R0.40 CCCCOCOC[C@H](F)CN 34a_100015665980_100011995733 [0,2,0,0,0,0|2,0,0]=4 14170 B11R0.40 CCCCOCSCC(C)CC 62a_100000748023_100011995733 [0,2,0,0,0,0|2,0,0]=4 14171 B11R0.40 CCCCOCSCC(C)CC 62a_100011995733_100000748023 [0,2,0,0,0,0|2,0,0]=4 14172 B11R0.40 CCCCOCSCC(O)CC 62a_100011218378_100011995733 [0,2,0,0,0,0|2,0,0]=4 14173 B11R0.40 CCCCOCSCC(O)CC 62a_100011995733_100011218378 [0,2,0,0,0,0|2,0,0]=4 14174 B11R0.40 CCCCOCSCC(O)CO 62a_100011219619_100011995733 [0,2,0,0,0,0|1,0,0]=3 14175 B11R0.40 CCCCOCSCC(O)CO 62a_100011995733_100011219619 [0,2,0,0,0,0|1,0,0]=3 14176 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100009816398_100011995733 [0,2,0,0,0,0|2,0,0]=4 14177 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100011995733_100009816398 [0,2,0,0,0,0|2,0,0]=4 14178 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100000059175_100011995733 [0,2,0,0,0,0|1,0,0]=3 14179 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100011995733_100000059175 [0,2,0,0,0,0|1,0,0]=3 14180 B11R0.40 CCCCOCSC[C@@H](O)CF 62a_100011995733_100015614560 [0,2,0,0,0,0|2,0,0]=4 14181 B11R0.40 CCCCOCSC[C@@H](O)CF 62a_100015614560_100011995733 [0,2,0,0,0,0|2,0,0]=4 14182 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100009815848_100011995733 [0,2,0,0,0,0|1,0,0]=3 14183 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100011995733_100009815848 [0,2,0,0,0,0|1,0,0]=3 14184 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,2,0,0,0,0|1,0,1]=4 14185 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,2,0,0,0,0|1,0,1]=4 14186 B11R0.40 CCCCSCCCN(C)CC 62a_100000210211_100015186262 [0,2,0,0,0,0|2,0,0]=4 14187 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,2,0,0,0,0|1,0,1]=4 14188 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,2,0,0,0,0|1,0,1]=4 14189 B11R0.40 CCCCSCCNC(C)CC 2230a_100025743550_100000758301 [0,2,0,0,0,0|2,0,0]=4 14190 B11R0.40 CCCCSCCNC(C)CO 2230a_100025743550_100012180447 [0,2,0,0,0,0|1,0,0]=3 14191 B11R0.40 CCCCSCCOC(C)CC 34a_200000230436_100011215416 [0,2,0,0,0,0|2,0,0]=4 14192 B11R0.40 CCCCSCCOC(C)CC 7a_200000230436_100000758301 [0,2,0,0,0,0|2,0,0]=4 14193 B11R0.40 CCCCSCCOC(C)CO 34a_200000230436_100012180447 [0,2,0,0,0,0|1,0,0]=3 14194 B11R0.40 CCCCSCCOC(C)CO 7a_200000230436_100012180447 [0,2,0,0,0,0|1,0,0]=3 14195 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,2,0,0,0,0|1,0,1]=4 14196 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,2,0,0,0,0|1,0,1]=4 14197 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,2,0,0,0,0|1,0,1]=4 14198 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,2,0,0,0,0|1,0,1]=4 14199 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,2,0,0,0,0|1,0,1]=4 14200 B11R0.40 CCCOCCCNC(C)CC 2230a_100011217757_100000758301 [0,2,0,0,0,0|2,0,0]=4 14201 B11R0.40 CCCOCCCNC(C)CC 34a_100011217757_100011215416 [0,2,0,0,0,0|2,0,0]=4 14202 B11R0.40 CCCOCCCNC(C)CO 2230a_100011217757_100012180447 [0,2,0,0,0,0|1,0,0]=3 14203 B11R0.40 CCCOCCCNC(C)CO 34a_100011217757_100012180447 [0,2,0,0,0,0|1,0,0]=3 14204 B11R0.40 CCCOCCNCC(C)CC 2230a_100020588543_100011215938 [0,2,0,0,0,0|2,0,0]=4 14205 B11R0.40 CCCOCCNCC(C)CC 2230a_100161115042_100000748023 [0,2,0,0,0,0|2,0,0]=4 14206 B11R0.40 CCCOCCNCC(C)CC 270004a_100161115042_100000243153 [0,2,0,0,0,0|2,0,0]=4 14207 B11R0.40 CCCOCCNCC(C)CC 34a_100161115042_100000748023 [0,2,0,0,0,0|2,0,0]=4 14208 B11R0.40 CCCOCCNCC(C)CO 34a_100000744482_100011215938 [0,2,0,0,0,0|1,0,0]=3 14209 B11R0.40 CCCOCCNCC(O)CC 2230a_100011218483_100011215938 [0,2,0,0,0,0|2,0,0]=4 14210 B11R0.40 CCCOCCNCC(O)CC 2230a_100161115042_100011218378 [0,2,0,0,0,0|2,0,0]=4 14211 B11R0.40 CCCOCCNCC(O)CC 34a_100161115042_100011218378 [0,2,0,0,0,0|2,0,0]=4 14212 B11R0.40 CCCOCCNCC(O)CO 2230a_100161115042_100011219619 [0,2,0,0,0,0|1,0,0]=3 14213 B11R0.40 CCCOCCNCC(O)CO 34a_100161115042_100011219619 [0,2,0,0,0,0|1,0,0]=3 14214 B11R0.40 CCCOCCNC[C@@H](C)CC 2230a_100161115042_100009816398 [0,2,0,0,0,0|2,0,0]=4 14215 B11R0.40 CCCOCCNC[C@@H](C)CC 34a_100161115042_100009816398 [0,2,0,0,0,0|2,0,0]=4 14216 B11R0.40 CCCOCCNC[C@@H](C)CO 2230a_100161115042_100000059175 [0,2,0,0,0,0|1,0,0]=3 14217 B11R0.40 CCCOCCNC[C@@H](C)CO 34a_100161115042_100000059175 [0,2,0,0,0,0|1,0,0]=3 14218 B11R0.40 CCCOCCNC[C@@H](C)OC 2230a_100020591295_100011215938 [0,2,0,0,0,0|2,0,0]=4 14219 B11R0.40 CCCOCCNC[C@@H](F)CO 34a_100015665980_100011215938 [0,2,0,0,0,0|1,0,0]=3 14220 B11R0.40 CCCOCCNC[C@@H](O)CF 2230a_100161115042_100015614560 [0,2,0,0,0,0|2,0,0]=4 14221 B11R0.40 CCCOCCNC[C@@H](O)CF 34a_100161115042_100015614560 [0,2,0,0,0,0|2,0,0]=4 14222 B11R0.40 CCCOCCNC[C@@H](O)CO 2230a_100161115042_100009815848 [0,2,0,0,0,0|1,0,0]=3 14223 B11R0.40 CCCOCCNC[C@@H](O)CO 34a_100161115042_100009815848 [0,2,0,0,0,0|1,0,0]=3 14224 B11R0.40 CCCOCCNC[C@H](O)CO 2230a_100020644852_100011215938 [0,2,0,0,0,0|1,0,0]=3 14225 B11R0.40 CCCOCCOCC(C)CC 34a_100000752267_100000748023 [0,2,0,0,0,0|2,0,0]=4 14226 B11R0.40 CCCOCCOCC(C)CC 7a_100000752267_100000748023 [0,2,0,0,0,0|2,0,0]=4 14227 B11R0.40 CCCOCCOCC(C)CN 34a_100000744482_100011215938 [0,2,0,0,0,0|2,0,0]=4 14228 B11R0.40 CCCOCCOCC(C)OC 34a_100000690652_100011215938 [0,2,0,0,0,0|2,0,0]=4 14229 B11R0.40 CCCOCCOCC(Cl)CCl 34a_100000033668_100011215938 [0,2,0,0,0,0|2,0,0]=4 14230 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [0,2,0,0,0,0|2,0,0]=4 14231 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [0,2,0,0,0,0|2,0,0]=4 14232 B11R0.40 CCCOCCOCC(O)CO 34a_100000752267_100011219619 [0,2,0,0,0,0|1,0,0]=3 14233 B11R0.40 CCCOCCOCC(O)CO 7a_100000752267_100011219619 [0,2,0,0,0,0|1,0,0]=3 14234 B11R0.40 CCCOCCOC[C@@H](C)CC 34a_100000752267_100009816398 [0,2,0,0,0,0|2,0,0]=4 14235 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100000752267_100009816398 [0,2,0,0,0,0|2,0,0]=4 14236 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100009816381_100011215938 [0,2,0,0,0,0|2,0,0]=4 14237 B11R0.40 CCCOCCOC[C@@H](C)CO 34a_100000752267_100000059175 [0,2,0,0,0,0|1,0,0]=3 14238 B11R0.40 CCCOCCOC[C@@H](C)CO 7a_100000752267_100000059175 [0,2,0,0,0,0|1,0,0]=3 14239 B11R0.40 CCCOCCOC[C@@H](O)CF 34a_100000752267_100015614560 [0,2,0,0,0,0|2,0,0]=4 14240 B11R0.40 CCCOCCOC[C@@H](O)CF 7a_100000752267_100015614560 [0,2,0,0,0,0|2,0,0]=4 14241 B11R0.40 CCCOCCOC[C@@H](O)CO 34a_100000752267_100009815848 [0,2,0,0,0,0|1,0,0]=3 14242 B11R0.40 CCCOCCOC[C@@H](O)CO 7a_100000752267_100009815848 [0,2,0,0,0,0|1,0,0]=3 14243 B11R0.40 CCCOCCOC[C@H](F)CN 34a_100015665980_100011215938 [0,2,0,0,0,0|2,0,0]=4 14244 B11R0.40 CCCOCCSCC(C)CC 62a_100000748023_100011215938 [0,2,0,0,0,0|2,0,0]=4 14245 B11R0.40 CCCOCCSCC(C)CC 62a_100011215938_100000748023 [0,2,0,0,0,0|2,0,0]=4 14246 B11R0.40 CCCOCCSCC(O)CC 62a_100011215938_100011218378 [0,2,0,0,0,0|2,0,0]=4 14247 B11R0.40 CCCOCCSCC(O)CC 62a_100011218378_100011215938 [0,2,0,0,0,0|2,0,0]=4 14248 B11R0.40 CCCOCCSCC(O)CO 62a_100011215938_100011219619 [0,2,0,0,0,0|1,0,0]=3 14249 B11R0.40 CCCOCCSCC(O)CO 62a_100011219619_100011215938 [0,2,0,0,0,0|1,0,0]=3 14250 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100009816398_100011215938 [0,2,0,0,0,0|2,0,0]=4 14251 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100011215938_100009816398 [0,2,0,0,0,0|2,0,0]=4 14252 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100000059175_100011215938 [0,2,0,0,0,0|1,0,0]=3 14253 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100011215938_100000059175 [0,2,0,0,0,0|1,0,0]=3 14254 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100011215938_100015614560 [0,2,0,0,0,0|2,0,0]=4 14255 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100015614560_100011215938 [0,2,0,0,0,0|2,0,0]=4 14256 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100009815848_100011215938 [0,2,0,0,0,0|1,0,0]=3 14257 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100011215938_100009815848 [0,2,0,0,0,0|1,0,0]=3 14258 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,2,0,0,0,0|1,0,1]=4 14259 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,2,0,0,0,0|1,0,1]=4 14260 B11R0.40 CCCSCCNCC(C)CC 2230a_100020603323_100000748023 [0,2,0,0,0,0|2,0,0]=4 14261 B11R0.40 CCCSCCNCC(C)CC 270004a_100020603323_100000243153 [0,2,0,0,0,0|2,0,0]=4 14262 B11R0.40 CCCSCCNCC(O)CC 2230a_100020603323_100011218378 [0,2,0,0,0,0|2,0,0]=4 14263 B11R0.40 CCCSCCNCC(O)CO 2230a_100020603323_100011219619 [0,2,0,0,0,0|1,0,0]=3 14264 B11R0.40 CCCSCCNC[C@@H](C)CC 2230a_100020603323_100009816398 [0,2,0,0,0,0|2,0,0]=4 14265 B11R0.40 CCCSCCNC[C@@H](C)CO 2230a_100020603323_100000059175 [0,2,0,0,0,0|1,0,0]=3 14266 B11R0.40 CCCSCCNC[C@@H](O)CF 2230a_100020603323_100015614560 [0,2,0,0,0,0|2,0,0]=4 14267 B11R0.40 CCCSCCNC[C@@H](O)CO 2230a_100020603323_100009815848 [0,2,0,0,0,0|1,0,0]=3 14268 B11R0.40 CCCSCCOCC(C)CC 34a_200000230433_100000748023 [0,2,0,0,0,0|2,0,0]=4 14269 B11R0.40 CCCSCCOCC(C)CC 7a_200000230433_100000748023 [0,2,0,0,0,0|2,0,0]=4 14270 B11R0.40 CCCSCCOCC(O)CC 34a_200000230433_100011218378 [0,2,0,0,0,0|2,0,0]=4 14271 B11R0.40 CCCSCCOCC(O)CC 7a_200000230433_100011218378 [0,2,0,0,0,0|2,0,0]=4 14272 B11R0.40 CCCSCCOCC(O)CO 34a_200000230433_100011219619 [0,2,0,0,0,0|1,0,0]=3 14273 B11R0.40 CCCSCCOCC(O)CO 7a_200000230433_100011219619 [0,2,0,0,0,0|1,0,0]=3 14274 B11R0.40 CCCSCCOC[C@@H](C)CC 34a_200000230433_100009816398 [0,2,0,0,0,0|2,0,0]=4 14275 B11R0.40 CCCSCCOC[C@@H](C)CC 7a_200000230433_100009816398 [0,2,0,0,0,0|2,0,0]=4 14276 B11R0.40 CCCSCCOC[C@@H](C)CO 34a_200000230433_100000059175 [0,2,0,0,0,0|1,0,0]=3 14277 B11R0.40 CCCSCCOC[C@@H](C)CO 7a_200000230433_100000059175 [0,2,0,0,0,0|1,0,0]=3 14278 B11R0.40 CCCSCCOC[C@@H](O)CF 34a_200000230433_100015614560 [0,2,0,0,0,0|2,0,0]=4 14279 B11R0.40 CCCSCCOC[C@@H](O)CF 7a_200000230433_100015614560 [0,2,0,0,0,0|2,0,0]=4 14280 B11R0.40 CCCSCCOC[C@@H](O)CO 34a_200000230433_100009815848 [0,2,0,0,0,0|1,0,0]=3 14281 B11R0.40 CCCSCCOC[C@@H](O)CO 7a_200000230433_100009815848 [0,2,0,0,0,0|1,0,0]=3 14282 B11R0.40 CCN(C)CCCCCCC#N 2230a_100000225621_100009813337 [0,2,0,0,0,0|1,0,1]=4 14283 B11R0.40 CCN(C)CCCCCCC#N 269982a_100000225621_100009813337 [0,2,0,0,0,0|1,0,1]=4 14284 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,2,0,0,0,0|0,0,0]=2 14285 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,2,0,0,0,0|0,0,0]=2 14286 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [0,2,0,0,0,0|1,0,0]=3 14287 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [0,2,0,0,0,0|1,0,0]=3 14288 B11R0.40 CCN(C)CCCNCCCF 2230a_100015189416_100015186262 [0,2,0,0,0,0|2,0,0]=4 14289 B11R0.40 CCN(C)CCCNCCOC 2230a_100000209980_100015186262 [0,2,0,0,0,0|2,0,0]=4 14290 B11R0.40 CCN(C)CCCOCCOC 2230a_100000225621_100011216529 [0,2,0,0,0,0|2,0,0]=4 14291 B11R0.40 CCN(C)CCCOCCOC 269982a_100000225621_100011216529 [0,2,0,0,0,0|2,0,0]=4 14292 B11R0.40 CCN(C)CCCSCCCF 62a_100011934791_100015186262 [0,2,0,0,0,0|2,0,0]=4 14293 B11R0.40 CCN(C)CCCSCCCO 62a_100011215043_100015186262 [0,2,0,0,0,0|1,0,0]=3 14294 B11R0.40 CCN(C)CCCSCCOC 62a_100000233755_100015186262 [0,2,0,0,0,0|2,0,0]=4 14295 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,2,0,0,0,0|1,0,1]=4 14296 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,2,0,0,0,0|1,0,1]=4 14297 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,2,0,0,0,0|1,0,1]=4 14298 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,2,0,0,0,0|1,0,1]=4 14299 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [0,2,0,0,0,0|1,0,0]=3 14300 B11R0.40 CCOCCCNCC(C)CC 2230a_100000210961_100000748023 [0,2,0,0,0,0|2,0,0]=4 14301 B11R0.40 CCOCCCNCC(C)CC 2230a_100020588543_100012232248 [0,2,0,0,0,0|2,0,0]=4 14302 B11R0.40 CCOCCCNCC(C)CC 270004a_100000210961_100000243153 [0,2,0,0,0,0|2,0,0]=4 14303 B11R0.40 CCOCCCNCC(C)CC 34a_100000210961_100000748023 [0,2,0,0,0,0|2,0,0]=4 14304 B11R0.40 CCOCCCNCC(C)CO 34a_100000744482_100012232248 [0,2,0,0,0,0|1,0,0]=3 14305 B11R0.40 CCOCCCNCC(O)CC 2230a_100000210961_100011218378 [0,2,0,0,0,0|2,0,0]=4 14306 B11R0.40 CCOCCCNCC(O)CC 2230a_100011218483_100012232248 [0,2,0,0,0,0|2,0,0]=4 14307 B11R0.40 CCOCCCNCC(O)CC 34a_100000210961_100011218378 [0,2,0,0,0,0|2,0,0]=4 14308 B11R0.40 CCOCCCNCC(O)CO 2230a_100000210961_100011219619 [0,2,0,0,0,0|1,0,0]=3 14309 B11R0.40 CCOCCCNCC(O)CO 34a_100000210961_100011219619 [0,2,0,0,0,0|1,0,0]=3 14310 B11R0.40 CCOCCCNC[C@@H](C)CC 2230a_100000210961_100009816398 [0,2,0,0,0,0|2,0,0]=4 14311 B11R0.40 CCOCCCNC[C@@H](C)CC 34a_100000210961_100009816398 [0,2,0,0,0,0|2,0,0]=4 14312 B11R0.40 CCOCCCNC[C@@H](C)CO 2230a_100000210961_100000059175 [0,2,0,0,0,0|1,0,0]=3 14313 B11R0.40 CCOCCCNC[C@@H](C)CO 34a_100000210961_100000059175 [0,2,0,0,0,0|1,0,0]=3 14314 B11R0.40 CCOCCCNC[C@@H](C)OC 2230a_100020591295_100012232248 [0,2,0,0,0,0|2,0,0]=4 14315 B11R0.40 CCOCCCNC[C@@H](F)CO 34a_100015665980_100012232248 [0,2,0,0,0,0|1,0,0]=3 14316 B11R0.40 CCOCCCNC[C@@H](O)CF 2230a_100000210961_100015614560 [0,2,0,0,0,0|2,0,0]=4 14317 B11R0.40 CCOCCCNC[C@@H](O)CF 34a_100000210961_100015614560 [0,2,0,0,0,0|2,0,0]=4 14318 B11R0.40 CCOCCCNC[C@@H](O)CO 2230a_100000210961_100009815848 [0,2,0,0,0,0|1,0,0]=3 14319 B11R0.40 CCOCCCNC[C@@H](O)CO 34a_100000210961_100009815848 [0,2,0,0,0,0|1,0,0]=3 14320 B11R0.40 CCOCCCNC[C@H](O)CO 2230a_100020644852_100012232248 [0,2,0,0,0,0|1,0,0]=3 14321 B11R0.40 CCOCCCOCC(C)CC 34a_100000757476_100000748023 [0,2,0,0,0,0|2,0,0]=4 14322 B11R0.40 CCOCCCOCC(C)CC 7a_100000757476_100000748023 [0,2,0,0,0,0|2,0,0]=4 14323 B11R0.40 CCOCCCOCC(C)CN 34a_100000744482_100012232248 [0,2,0,0,0,0|2,0,0]=4 14324 B11R0.40 CCOCCCOCC(C)OC 34a_100000690652_100012232248 [0,2,0,0,0,0|2,0,0]=4 14325 B11R0.40 CCOCCCOCC(Cl)CCl 34a_100000033668_100012232248 [0,2,0,0,0,0|2,0,0]=4 14326 B11R0.40 CCOCCCOCC(O)CC 34a_100000757476_100011218378 [0,2,0,0,0,0|2,0,0]=4 14327 B11R0.40 CCOCCCOCC(O)CC 7a_100000757476_100011218378 [0,2,0,0,0,0|2,0,0]=4 14328 B11R0.40 CCOCCCOCC(O)CO 34a_100000757476_100011219619 [0,2,0,0,0,0|1,0,0]=3 14329 B11R0.40 CCOCCCOCC(O)CO 7a_100000757476_100011219619 [0,2,0,0,0,0|1,0,0]=3 14330 B11R0.40 CCOCCCOC[C@@H](C)CC 34a_100000757476_100009816398 [0,2,0,0,0,0|2,0,0]=4 14331 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100000757476_100009816398 [0,2,0,0,0,0|2,0,0]=4 14332 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100009816381_100012232248 [0,2,0,0,0,0|2,0,0]=4 14333 B11R0.40 CCOCCCOC[C@@H](C)CO 34a_100000757476_100000059175 [0,2,0,0,0,0|1,0,0]=3 14334 B11R0.40 CCOCCCOC[C@@H](C)CO 7a_100000757476_100000059175 [0,2,0,0,0,0|1,0,0]=3 14335 B11R0.40 CCOCCCOC[C@@H](O)CF 34a_100000757476_100015614560 [0,2,0,0,0,0|2,0,0]=4 14336 B11R0.40 CCOCCCOC[C@@H](O)CF 7a_100000757476_100015614560 [0,2,0,0,0,0|2,0,0]=4 14337 B11R0.40 CCOCCCOC[C@@H](O)CO 34a_100000757476_100009815848 [0,2,0,0,0,0|1,0,0]=3 14338 B11R0.40 CCOCCCOC[C@@H](O)CO 7a_100000757476_100009815848 [0,2,0,0,0,0|1,0,0]=3 14339 B11R0.40 CCOCCCOC[C@H](F)CN 34a_100015665980_100012232248 [0,2,0,0,0,0|2,0,0]=4 14340 B11R0.40 CCOCCCSCC(C)CC 62a_100000748023_100012232248 [0,2,0,0,0,0|2,0,0]=4 14341 B11R0.40 CCOCCCSCC(C)CC 62a_100012232248_100000748023 [0,2,0,0,0,0|2,0,0]=4 14342 B11R0.40 CCOCCCSCC(O)CC 62a_100011218378_100012232248 [0,2,0,0,0,0|2,0,0]=4 14343 B11R0.40 CCOCCCSCC(O)CC 62a_100012232248_100011218378 [0,2,0,0,0,0|2,0,0]=4 14344 B11R0.40 CCOCCCSCC(O)CO 62a_100011219619_100012232248 [0,2,0,0,0,0|1,0,0]=3 14345 B11R0.40 CCOCCCSCC(O)CO 62a_100012232248_100011219619 [0,2,0,0,0,0|1,0,0]=3 14346 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100009816398_100012232248 [0,2,0,0,0,0|2,0,0]=4 14347 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100012232248_100009816398 [0,2,0,0,0,0|2,0,0]=4 14348 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100000059175_100012232248 [0,2,0,0,0,0|1,0,0]=3 14349 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100012232248_100000059175 [0,2,0,0,0,0|1,0,0]=3 14350 B11R0.40 CCOCCCSC[C@@H](O)CF 62a_100012232248_100015614560 [0,2,0,0,0,0|2,0,0]=4 14351 B11R0.40 CCOCCCSC[C@@H](O)CF 62a_100015614560_100012232248 [0,2,0,0,0,0|2,0,0]=4 14352 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100009815848_100012232248 [0,2,0,0,0,0|1,0,0]=3 14353 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100012232248_100009815848 [0,2,0,0,0,0|1,0,0]=3 14354 B11R0.40 CCOCCNCCC(C)CC 2230a_100020591266_100011215890 [0,2,0,0,0,0|2,0,0]=4 14355 B11R0.40 CCOCCNCCC(C)CO 2230a_106354213184_100011215890 [0,2,0,0,0,0|1,0,0]=3 14356 B11R0.40 CCOCCNCCC(C)CO 34a_106354213184_100000210147 [0,2,0,0,0,0|1,0,0]=3 14357 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [0,2,0,0,0,0|1,0,1]=4 14358 B11R0.40 CCOCCOCCC(C)CC 7a_100011215188_100011215890 [0,2,0,0,0,0|2,0,0]=4 14359 B11R0.40 CCOCCOCCC(C)OC 7a_100000764861_100011215890 [0,2,0,0,0,0|2,0,0]=4 14360 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,2,0,0,0,0|1,0,1]=4 14361 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,2,0,0,0,0|1,0,1]=4 14362 B11R0.40 CCSCCCOCC(C)CC 34a_100011216438_100000748023 [0,2,0,0,0,0|2,0,0]=4 14363 B11R0.40 CCSCCCOCC(C)CC 7a_100011216438_100000748023 [0,2,0,0,0,0|2,0,0]=4 14364 B11R0.40 CCSCCCOCC(O)CC 34a_100011216438_100011218378 [0,2,0,0,0,0|2,0,0]=4 14365 B11R0.40 CCSCCCOCC(O)CC 7a_100011216438_100011218378 [0,2,0,0,0,0|2,0,0]=4 14366 B11R0.40 CCSCCCOCC(O)CO 34a_100011216438_100011219619 [0,2,0,0,0,0|1,0,0]=3 14367 B11R0.40 CCSCCCOCC(O)CO 7a_100011216438_100011219619 [0,2,0,0,0,0|1,0,0]=3 14368 B11R0.40 CCSCCCOC[C@@H](C)CC 34a_100011216438_100009816398 [0,2,0,0,0,0|2,0,0]=4 14369 B11R0.40 CCSCCCOC[C@@H](C)CC 7a_100011216438_100009816398 [0,2,0,0,0,0|2,0,0]=4 14370 B11R0.40 CCSCCCOC[C@@H](C)CO 34a_100011216438_100000059175 [0,2,0,0,0,0|1,0,0]=3 14371 B11R0.40 CCSCCCOC[C@@H](C)CO 7a_100011216438_100000059175 [0,2,0,0,0,0|1,0,0]=3 14372 B11R0.40 CCSCCCOC[C@@H](O)CF 34a_100011216438_100015614560 [0,2,0,0,0,0|2,0,0]=4 14373 B11R0.40 CCSCCCOC[C@@H](O)CF 7a_100011216438_100015614560 [0,2,0,0,0,0|2,0,0]=4 14374 B11R0.40 CCSCCCOC[C@@H](O)CO 34a_100011216438_100009815848 [0,2,0,0,0,0|1,0,0]=3 14375 B11R0.40 CCSCCCOC[C@@H](O)CO 7a_100011216438_100009815848 [0,2,0,0,0,0|1,0,0]=3 14376 B11R0.40 CCSCCNCCC(C)CC 2230a_100020591266_100000757381 [0,2,0,0,0,0|2,0,0]=4 14377 B11R0.40 CCSCCNCCC(C)CO 2230a_106354213184_100000757381 [0,2,0,0,0,0|1,0,0]=3 14378 B11R0.40 CCSCCNCCC(C)CO 34a_106354213184_100000757381 [0,2,0,0,0,0|1,0,0]=3 14379 B11R0.40 CCSCCOCCC(C)CC 7a_100011215188_100000757381 [0,2,0,0,0,0|2,0,0]=4 14380 B11R0.40 CCSCCOCCC(C)OC 7a_100000764861_100000757381 [0,2,0,0,0,0|2,0,0]=4 14381 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [0,2,0,0,0,0|0,0,0]=2 14382 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [0,2,0,0,0,0|0,0,0]=2 14383 B11R0.40 CC[C@H](C)CNCCOCCO 2230a_100000211614_100009816398 [0,2,0,0,0,0|1,0,0]=3 14384 B11R0.40 CC[C@H](C)CNCCOCCO 34a_100000211614_100009816398 [0,2,0,0,0,0|1,0,0]=3 14385 B11R0.40 CC[C@H](C)CNCCSCCO 2230a_100011219999_100009816398 [0,2,0,0,0,0|1,0,0]=3 14386 B11R0.40 CC[C@H](C)COCCCCC#N 7a_100009816381_100000211819 [0,2,0,0,0,0|1,0,1]=4 14387 B11R0.40 CC[C@H](C)COCCCCC=O 7a_100009816381_100000139335 [0,2,0,0,0,0|0,0,2]=4 14388 B11R0.40 CC[C@H](C)COCCCCCBr 34a_100000746331_100009816398 [0,2,0,0,0,0|1,0,0]=3 14389 B11R0.40 CC[C@H](C)COCCCCCBr 7a_100000746331_100009816398 [0,2,0,0,0,0|1,0,0]=3 14390 B11R0.40 CC[C@H](C)COCCCCCCl 34a_100000746330_100009816398 [0,2,0,0,0,0|1,0,0]=3 14391 B11R0.40 CC[C@H](C)COCCCCCCl 7a_100000746330_100009816398 [0,2,0,0,0,0|1,0,0]=3 14392 B11R0.40 CC[C@H](C)COCCCCCF 7a_100009816381_100000729378 [0,2,0,0,0,0|1,0,0]=3 14393 B11R0.40 CC[C@H](C)COCCCCCI 34a_200012148887_100009816398 [0,2,0,0,0,0|1,0,0]=3 14394 B11R0.40 CC[C@H](C)COCCCCCI 7a_200012148887_100009816398 [0,2,0,0,0,0|1,0,0]=3 14395 B11R0.40 CC[C@H](C)COCCCCCN 34a_100000762737_100009816398 [0,2,0,0,0,0|1,0,0]=3 14396 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [0,2,0,0,0,0|0,0,0]=2 14397 B11R0.40 CC[C@H](C)COCCCCOC 34a_100000740925_100009816398 [0,2,0,0,0,0|1,0,0]=3 14398 B11R0.40 CC[C@H](C)COCCCCOC 7a_100009816381_100000730899 [0,2,0,0,0,0|1,0,0]=3 14399 B11R0.40 CC[C@H](C)COCCCCSC 34a_100011217163_100009816398 [0,2,0,0,0,0|1,1,0]=4 14400 B11R0.40 CC[C@H](C)COCCCCSC 7a_100011217163_100009816398 [0,2,0,0,0,0|1,1,0]=4 14401 B11R0.40 CC[C@H](C)COCCOCCBr 34a_100000692535_100009816398 [0,2,0,0,0,0|2,0,0]=4 14402 B11R0.40 CC[C@H](C)COCCOCCBr 7a_100000692535_100009816398 [0,2,0,0,0,0|2,0,0]=4 14403 B11R0.40 CC[C@H](C)COCCOCCCl 34a_100011215305_100009816398 [0,2,0,0,0,0|2,0,0]=4 14404 B11R0.40 CC[C@H](C)COCCOCCCl 7a_100011215305_100009816398 [0,2,0,0,0,0|2,0,0]=4 14405 B11R0.40 CC[C@H](C)COCCOCCF 34a_200015357709_100009816398 [0,2,0,0,0,0|2,0,0]=4 14406 B11R0.40 CC[C@H](C)COCCOCCF 7a_200015357709_100009816398 [0,2,0,0,0,0|2,0,0]=4 14407 B11R0.40 CC[C@H](C)COCCOCCI 34a_100012149058_100009816398 [0,2,0,0,0,0|2,0,0]=4 14408 B11R0.40 CC[C@H](C)COCCOCCI 7a_100012149058_100009816398 [0,2,0,0,0,0|2,0,0]=4 14409 B11R0.40 CC[C@H](C)COCCOCCN 34a_100000211614_100009816398 [0,2,0,0,0,0|2,0,0]=4 14410 B11R0.40 CC[C@H](C)COCCOCCO 7a_100009816381_100011215305 [0,2,0,0,0,0|1,0,0]=3 14411 B11R0.40 CC[C@H](C)CSCCCCC#N 62a_100009816398_100000211819 [0,2,0,0,0,0|1,0,1]=4 14412 B11R0.40 CC[C@H](C)CSCCCCC#N 62a_100011219923_100009816398 [0,2,0,0,0,0|1,0,1]=4 14413 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100000139335_100009816398 [0,2,0,0,0,0|0,0,2]=4 14414 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100009816398_100000139335 [0,2,0,0,0,0|0,0,2]=4 14415 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100000729378_100009816398 [0,2,0,0,0,0|1,0,0]=3 14416 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100009816398_100000729378 [0,2,0,0,0,0|1,0,0]=3 14417 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [0,2,0,0,0,0|0,0,0]=2 14418 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [0,2,0,0,0,0|0,0,0]=2 14419 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100000730899_100009816398 [0,2,0,0,0,0|1,0,0]=3 14420 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100009816398_100000730899 [0,2,0,0,0,0|1,0,0]=3 14421 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100009816398_100011215305 [0,2,0,0,0,0|1,0,0]=3 14422 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100011215305_100009816398 [0,2,0,0,0,0|1,0,0]=3 14423 B11R0.40 CC[C@H](C)CSCOCCOC 62a_100000231047_100009816398 [0,2,0,0,0,0|2,0,0]=4 14424 B11R0.40 CC[C@H](C)CSCOCCOC 62a_100009816398_100000231047 [0,2,0,0,0,0|2,0,0]=4 14425 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,2,0,0,0,0|0,0,1]=3 14426 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [0,2,0,0,0,0|1,0,1]=4 14427 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [0,2,0,0,0,0|1,0,1]=4 14428 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [0,2,0,0,0,0|1,0,1]=4 14429 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [0,2,0,0,0,0|1,0,1]=4 14430 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [0,2,0,0,0,0|1,0,1]=4 14431 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [0,2,0,0,0,0|1,0,1]=4 14432 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [0,2,0,0,0,0|1,0,1]=4 14433 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [0,2,0,0,0,0|1,0,1]=4 14434 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,2,0,0,0,0|1,0,1]=4 14435 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [0,2,0,0,0,0|1,0,1]=4 14436 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [0,2,0,0,0,0|1,0,1]=4 14437 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,2,0,0,0,0|1,0,1]=4 14438 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,2,0,0,0,0|1,0,1]=4 14439 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,2,0,0,0,0|1,0,1]=4 14440 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,2,0,0,0,0|1,0,1]=4 14441 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,2,0,0,0,0|1,0,1]=4 14442 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,2,0,0,0,0|1,0,1]=4 14443 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,2,0,0,0,0|1,0,1]=4 14444 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,2,0,0,0,0|1,0,1]=4 14445 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,2,0,0,0,0|1,0,1]=4 14446 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,2,0,0,0,0|1,0,1]=4 14447 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,2,0,0,0,0|1,0,1]=4 14448 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,2,0,0,0,0|1,0,1]=4 14449 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,2,0,0,0,0|1,0,1]=4 14450 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,2,0,0,0,0|1,0,1]=4 14451 B11R0.40 CNCCCCCOC(C)CO 34a_100000722520_100012180447 [0,2,0,0,0,0|1,0,0]=3 14452 B11R0.40 CNCCOCCOC(C)CO 34a_100000228057_100012180447 [0,2,0,0,0,0|2,0,0]=4 14453 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,2,0,0,0,0|1,0,1]=4 14454 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,2,0,0,0,0|1,0,1]=4 14455 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,2,0,0,0,0|1,0,1]=4 14456 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,2,0,0,0,0|1,0,1]=4 14457 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,2,0,0,0,0|1,0,1]=4 14458 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,2,0,0,0,0|1,0,1]=4 14459 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,2,0,0,0,0|1,0,1]=4 14460 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,2,0,0,0,0|1,0,1]=4 14461 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,2,0,0,0,0|1,0,1]=4 14462 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,2,0,0,0,0|1,0,1]=4 14463 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,2,0,0,0,0|1,0,1]=4 14464 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,2,0,0,0,0|1,0,1]=4 14465 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,2,0,0,0,0|1,0,1]=4 14466 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,2,0,0,0,0|1,0,1]=4 14467 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,2,0,0,0,0|1,0,1]=4 14468 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,2,0,0,0,0|1,0,1]=4 14469 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,2,0,0,0,0|1,0,1]=4 14470 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,2,0,0,0,0|1,0,1]=4 14471 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,2,0,0,0,0|1,0,1]=4 14472 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,2,0,0,0,0|1,0,1]=4 14473 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,2,0,0,0,0|1,0,1]=4 14474 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,2,0,0,0,0|1,0,1]=4 14475 B11R0.40 COC(C)CCOCCCCF 7a_100000764861_100000729493 [0,2,0,0,0,0|2,0,0]=4 14476 B11R0.40 COC(C)CCOCCCCO 7a_100000764861_100000210776 [0,2,0,0,0,0|1,0,0]=3 14477 B11R0.40 COC(C)COCCCCCF 34a_100000690652_100000729378 [0,2,0,0,0,0|2,0,0]=4 14478 B11R0.40 COC(C)COCCCCCO 34a_100000690652_100000746330 [0,2,0,0,0,0|1,0,0]=3 14479 B11R0.40 COC(C)COCCOCCO 34a_100000690652_100000692535 [0,2,0,0,0,0|2,0,0]=4 14480 B11R0.40 COC(C)SCCCCCCF 62a_100009879195_100015922095 [0,2,0,0,0,0|2,0,0]=4 14481 B11R0.40 COC(C)SCCCCCCF 62a_100015922095_100009879195 [0,2,0,0,0,0|2,0,0]=4 14482 B11R0.40 COC(C)SCCCCCCO 62a_100000766143_100009879195 [0,2,0,0,0,0|1,0,0]=3 14483 B11R0.40 COC(C)SCCCCCCO 62a_100009879195_100000766143 [0,2,0,0,0,0|1,0,0]=3 14484 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,2,0,0,0,0|0,0,1]=3 14485 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,2,0,0,0,0|1,0,1]=4 14486 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,2,0,0,0,0|1,0,1]=4 14487 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,2,0,0,0,0|1,0,1]=4 14488 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,2,0,0,0,0|1,0,1]=4 14489 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,2,0,0,0,0|1,0,1]=4 14490 B11R0.40 COCCCCCNC(C)CO 2230a_100000747528_100012180447 [0,2,0,0,0,0|1,0,0]=3 14491 B11R0.40 COCCCCCNC(C)CO 34a_100000747528_100012180447 [0,2,0,0,0,0|1,0,0]=3 14492 B11R0.40 COCCCCNCC(C)CO 34a_100000744482_100000755781 [0,2,0,0,0,0|1,0,0]=3 14493 B11R0.40 COCCCCNC[C@@H](C)OC 2230a_100020591295_100000730899 [0,2,0,0,0,0|2,0,0]=4 14494 B11R0.40 COCCCCNC[C@@H](F)CO 34a_100015665980_100000755781 [0,2,0,0,0,0|1,0,0]=3 14495 B11R0.40 COCCCCNC[C@H](O)CO 2230a_100020644852_100000730899 [0,2,0,0,0,0|1,0,0]=3 14496 B11R0.40 COCCCCOCC(C)CN 34a_100000744482_100000755781 [0,2,0,0,0,0|2,0,0]=4 14497 B11R0.40 COCCCCOCC(C)OC 34a_100000690652_100000755781 [0,2,0,0,0,0|2,0,0]=4 14498 B11R0.40 COCCCCOCC(Cl)CCl 34a_100000033668_100000755781 [0,2,0,0,0,0|2,0,0]=4 14499 B11R0.40 COCCCCOCC(O)CO 34a_100000740925_100011219619 [0,2,0,0,0,0|1,0,0]=3 14500 B11R0.40 COCCCCOC[C@@H](C)CO 34a_100000740925_100000059175 [0,2,0,0,0,0|1,0,0]=3 14501 B11R0.40 COCCCCOC[C@@H](O)CF 34a_100000740925_100015614560 [0,2,0,0,0,0|2,0,0]=4 14502 B11R0.40 COCCCCOC[C@@H](O)CO 34a_100000740925_100009815848 [0,2,0,0,0,0|1,0,0]=3 14503 B11R0.40 COCCCCOC[C@H](F)CN 34a_100015665980_100000755781 [0,2,0,0,0,0|2,0,0]=4 14504 B11R0.40 COCCCCSCC(O)CO 62a_100000730899_100011219619 [0,2,0,0,0,0|1,0,0]=3 14505 B11R0.40 COCCCCSCC(O)CO 62a_100011219619_100000730899 [0,2,0,0,0,0|1,0,0]=3 14506 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000059175_100000730899 [0,2,0,0,0,0|1,0,0]=3 14507 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000730899_100000059175 [0,2,0,0,0,0|1,0,0]=3 14508 B11R0.40 COCCCCSC[C@@H](O)CF 62a_100000730899_100015614560 [0,2,0,0,0,0|2,0,0]=4 14509 B11R0.40 COCCCCSC[C@@H](O)CF 62a_100015614560_100000730899 [0,2,0,0,0,0|2,0,0]=4 14510 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100000730899_100009815848 [0,2,0,0,0,0|1,0,0]=3 14511 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100009815848_100000730899 [0,2,0,0,0,0|1,0,0]=3 14512 B11R0.40 COCCCNCCC(C)CO 2230a_106354213184_100000740836 [0,2,0,0,0,0|1,0,0]=3 14513 B11R0.40 COCCCNCCC(C)CO 34a_106354213184_100000740836 [0,2,0,0,0,0|1,0,0]=3 14514 B11R0.40 COCCCOCCC(C)OC 7a_100000764861_100000740836 [0,2,0,0,0,0|2,0,0]=4 14515 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,2,0,0,0,0|1,0,1]=4 14516 B11R0.40 COCCOCCC[C@@H](C)CN 34a_100160569302_100011201679 [0,2,0,0,0,0|2,0,0]=4 14517 B11R0.40 COCCOCCNC(C)CO 2230a_100000745349_100012180447 [0,2,0,0,0,0|2,0,0]=4 14518 B11R0.40 COCCOCCNC(C)CO 34a_100000745349_100012180447 [0,2,0,0,0,0|2,0,0]=4 14519 B11R0.40 COCCOCCN[C@H](C)CO 2230a_100000737577_100000695917 [0,2,0,0,0,0|2,0,0]=4 14520 B11R0.40 COCCOCCOC(C)CO 34a_100011215163_100012180447 [0,2,0,0,0,0|2,0,0]=4 14521 B11R0.40 COCCOCCOC(C)CO 7a_100011215163_100012180447 [0,2,0,0,0,0|2,0,0]=4 14522 B11R0.40 COCCOCCSC(C)CO 62a_100012180447_100000695917 [0,2,0,0,0,0|2,0,0]=4 14523 B11R0.40 COCCOCCS[C@H](C)CO 62a_100000695917_100016084084 [0,2,0,0,0,0|2,0,0]=4 14524 B11R0.40 COCCOCCS[C@H](C)CO 62a_100016084084_100000695917 [0,2,0,0,0,0|2,0,0]=4 14525 B11R0.40 COCCOCNC[C@H](O)CO 2230a_100020644852_100000231047 [0,2,0,0,0,0|2,0,0]=4 14526 B11R0.40 COCCOCSCC(O)CO 62a_100000231047_100011219619 [0,2,0,0,0,0|2,0,0]=4 14527 B11R0.40 COCCOCSCC(O)CO 62a_100011219619_100000231047 [0,2,0,0,0,0|2,0,0]=4 14528 B11R0.40 COCCOCSC[C@@H](C)CO 62a_100000059175_100000231047 [0,2,0,0,0,0|2,0,0]=4 14529 B11R0.40 COCCOCSC[C@@H](C)CO 62a_100000231047_100000059175 [0,2,0,0,0,0|2,0,0]=4 14530 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100000231047_100009815848 [0,2,0,0,0,0|2,0,0]=4 14531 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100009815848_100000231047 [0,2,0,0,0,0|2,0,0]=4 14532 B11R0.40 CO[C@H](C)CNCCCCCF 2230a_100020591295_100000729378 [0,2,0,0,0,0|2,0,0]=4 14533 B11R0.40 CO[C@H](C)CNCCCCCO 2230a_100020591295_100000746330 [0,2,0,0,0,0|1,0,0]=3 14534 B11R0.40 CO[C@H](C)CNCCOCCO 2230a_100020591295_100011215305 [0,2,0,0,0,0|2,0,0]=4 14535 B11R0.40 CSCCCCOCC(O)CO 34a_100011217163_100011219619 [0,2,0,0,0,0|1,0,0]=3 14536 B11R0.40 CSCCCCOCC(O)CO 7a_100011217163_100011219619 [0,2,0,0,0,0|1,0,0]=3 14537 B11R0.40 CSCCCCOC[C@@H](C)CO 34a_100011217163_100000059175 [0,2,0,0,0,0|1,0,0]=3 14538 B11R0.40 CSCCCCOC[C@@H](C)CO 7a_100011217163_100000059175 [0,2,0,0,0,0|1,0,0]=3 14539 B11R0.40 CSCCCCOC[C@@H](O)CF 34a_100011217163_100015614560 [0,2,0,0,0,0|2,0,0]=4 14540 B11R0.40 CSCCCCOC[C@@H](O)CF 7a_100011217163_100015614560 [0,2,0,0,0,0|2,0,0]=4 14541 B11R0.40 CSCCCCOC[C@@H](O)CO 34a_100011217163_100009815848 [0,2,0,0,0,0|1,0,0]=3 14542 B11R0.40 CSCCCCOC[C@@H](O)CO 7a_100011217163_100009815848 [0,2,0,0,0,0|1,0,0]=3 14543 B11R0.40 CSCCOCCC[C@@H](C)CN 34a_100160569302_100000212216 [0,2,0,0,0,0|2,0,0]=4 14544 B11R0.40 C[C@@H](CN)CCCOCCCF 34a_100160569302_100011934791 [0,2,0,0,0,0|2,0,0]=4 14545 B11R0.40 C[C@@H](CN)CCCOCCCO 34a_100160569302_100000230001 [0,2,0,0,0,0|1,0,0]=3 14546 B11R0.40 C[C@@H](CO)CNCCCCCO 2230a_100000762737_100000059175 [0,2,0,0,0,0|1,0,0]=3 14547 B11R0.40 C[C@@H](CO)CNCCCCCO 34a_100000762737_100000059175 [0,2,0,0,0,0|1,0,0]=3 14548 B11R0.40 C[C@@H](CO)CNCCOCCO 2230a_100000211614_100000059175 [0,2,0,0,0,0|2,0,0]=4 14549 B11R0.40 C[C@@H](CO)CNCCOCCO 34a_100000211614_100000059175 [0,2,0,0,0,0|2,0,0]=4 14550 B11R0.40 C[C@@H](CO)CNCCSCCO 2230a_100011219999_100000059175 [0,2,0,0,0,0|2,0,0]=4 14551 B11R0.40 C[C@@H](CO)COCCCCCBr 34a_100000746331_100000059175 [0,2,0,0,0,0|1,0,0]=3 14552 B11R0.40 C[C@@H](CO)COCCCCCBr 7a_100000746331_100000059175 [0,2,0,0,0,0|1,0,0]=3 14553 B11R0.40 C[C@@H](CO)COCCCCCCl 34a_100000746330_100000059175 [0,2,0,0,0,0|1,0,0]=3 14554 B11R0.40 C[C@@H](CO)COCCCCCCl 7a_100000746330_100000059175 [0,2,0,0,0,0|1,0,0]=3 14555 B11R0.40 C[C@@H](CO)COCCCCCI 34a_200012148887_100000059175 [0,2,0,0,0,0|1,0,0]=3 14556 B11R0.40 C[C@@H](CO)COCCCCCI 7a_200012148887_100000059175 [0,2,0,0,0,0|1,0,0]=3 14557 B11R0.40 C[C@@H](CO)COCCCCCN 34a_100000762737_100000059175 [0,2,0,0,0,0|1,0,0]=3 14558 B11R0.40 C[C@@H](CO)COCCOCCBr 34a_100000692535_100000059175 [0,2,0,0,0,0|2,0,0]=4 14559 B11R0.40 C[C@@H](CO)COCCOCCBr 7a_100000692535_100000059175 [0,2,0,0,0,0|2,0,0]=4 14560 B11R0.40 C[C@@H](CO)COCCOCCCl 34a_100011215305_100000059175 [0,2,0,0,0,0|2,0,0]=4 14561 B11R0.40 C[C@@H](CO)COCCOCCCl 7a_100011215305_100000059175 [0,2,0,0,0,0|2,0,0]=4 14562 B11R0.40 C[C@@H](CO)COCCOCCF 34a_200015357709_100000059175 [0,2,0,0,0,0|2,0,0]=4 14563 B11R0.40 C[C@@H](CO)COCCOCCF 7a_200015357709_100000059175 [0,2,0,0,0,0|2,0,0]=4 14564 B11R0.40 C[C@@H](CO)COCCOCCI 34a_100012149058_100000059175 [0,2,0,0,0,0|2,0,0]=4 14565 B11R0.40 C[C@@H](CO)COCCOCCI 7a_100012149058_100000059175 [0,2,0,0,0,0|2,0,0]=4 14566 B11R0.40 C[C@@H](CO)COCCOCCN 34a_100000211614_100000059175 [0,2,0,0,0,0|2,0,0]=4 14567 B11R0.40 C[C@@H](CO)CSCCCCC#N 62a_100000059175_100000211819 [0,2,0,0,0,0|1,0,1]=4 14568 B11R0.40 C[C@@H](CO)CSCCCCC#N 62a_100011219923_100000059175 [0,2,0,0,0,0|1,0,1]=4 14569 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000059175_100000139335 [0,2,0,0,0,0|1,0,1]=4 14570 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000139335_100000059175 [0,2,0,0,0,0|1,0,1]=4 14571 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000059175_100000729378 [0,2,0,0,0,0|1,0,0]=3 14572 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000729378_100000059175 [0,2,0,0,0,0|1,0,0]=3 14573 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000059175_100000746330 [0,2,0,0,0,0|1,0,0]=3 14574 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000746330_100000059175 [0,2,0,0,0,0|1,0,0]=3 14575 B11R0.40 C[C@@H](CO)CSCCOCCO 62a_100000059175_100011215305 [0,2,0,0,0,0|2,0,0]=4 14576 B11R0.40 C[C@@H](CO)CSCCOCCO 62a_100011215305_100000059175 [0,2,0,0,0,0|2,0,0]=4 14577 B11R0.40 C[C@H](CO)NCCCCCC#N 2230a_100000737577_100009813376 [0,2,0,0,0,0|1,0,1]=4 14578 B11R0.40 C[C@H](CO)NCCCCCC=O 2230a_100000737577_100000139337 [0,2,0,0,0,0|1,0,1]=4 14579 B11R0.40 C[C@H](CO)NCCCCCCF 2230a_100000737577_100015922095 [0,2,0,0,0,0|1,0,0]=3 14580 B11R0.40 C[C@H](CO)NCCCCCCO 2230a_100000737577_100000766143 [0,2,0,0,0,0|1,0,0]=3 14581 B11R0.40 C[C@H](CO)SCCCCCC#N 62a_100009813376_100016084084 [0,2,0,0,0,0|1,0,1]=4 14582 B11R0.40 C[C@H](CO)SCCCCCC#N 62a_100016084084_100009813376 [0,2,0,0,0,0|1,0,1]=4 14583 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100000139337_100016084084 [0,2,0,0,0,0|1,0,1]=4 14584 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100016084084_100000139337 [0,2,0,0,0,0|1,0,1]=4 14585 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100015922095_100016084084 [0,2,0,0,0,0|1,0,0]=3 14586 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100016084084_100015922095 [0,2,0,0,0,0|1,0,0]=3 14587 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100000766143_100016084084 [0,2,0,0,0,0|1,0,0]=3 14588 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100016084084_100000766143 [0,2,0,0,0,0|1,0,0]=3 14589 B11R0.40 FCCCCCOCC(Cl)CCl 34a_100000033668_100000729378 [0,2,0,0,0,0|2,0,0]=4 14590 B11R0.40 N#CC(F)SCCCCCCO 62a_100000766143_200000117898 [0,2,0,0,0,0|1,0,1]=4 14591 B11R0.40 N#CC(F)SCCCCCCO 62a_200000117898_100000766143 [0,2,0,0,0,0|1,0,1]=4 14592 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [0,2,0,0,0,0|0,0,2]=4 14593 B11R0.40 N#CCCCCNC[C@H](O)CO 2230a_100020644852_100000211819 [0,2,0,0,0,0|1,0,1]=4 14594 B11R0.40 N#CCCCCSCC(O)CO 62a_100011219619_100000211819 [0,2,0,0,0,0|1,0,1]=4 14595 B11R0.40 N#CCCCCSCC(O)CO 62a_100011219923_100011219619 [0,2,0,0,0,0|1,0,1]=4 14596 B11R0.40 N#CCCCCSC[C@@H](O)CO 62a_100009815848_100000211819 [0,2,0,0,0,0|1,0,1]=4 14597 B11R0.40 N#CCCCCSC[C@@H](O)CO 62a_100011219923_100009815848 [0,2,0,0,0,0|1,0,1]=4 14598 B11R0.40 NCCCCCOCC(O)CO 34a_100000762737_100011219619 [0,2,0,0,0,0|1,0,0]=3 14599 B11R0.40 NCCCCCOC[C@@H](O)CF 34a_100000762737_100015614560 [0,2,0,0,0,0|2,0,0]=4 14600 B11R0.40 NCCCCCOC[C@@H](O)CO 34a_100000762737_100009815848 [0,2,0,0,0,0|1,0,0]=3 14601 B11R0.40 NCCOCCOCC(O)CO 34a_100000211614_100011219619 [0,2,0,0,0,0|2,0,0]=4 14602 B11R0.40 NCCOCCOC[C@@H](O)CO 34a_100000211614_100009815848 [0,2,0,0,0,0|2,0,0]=4 14603 B11R0.40 NC[C@@H](F)COCCCCCF 34a_100015665980_100000729378 [0,2,0,0,0,0|2,0,0]=4 14604 B11R0.40 NC[C@@H](F)COCCCCCO 34a_100015665980_100000746330 [0,2,0,0,0,0|1,0,0]=3 14605 B11R0.40 NC[C@@H](F)COCCOCCO 34a_100015665980_100000692535 [0,2,0,0,0,0|2,0,0]=4 14606 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,2,0,0,0,0|0,0,1]=3 14607 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,2,0,0,0,0|0,0,1]=3 14608 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,2,0,0,0,0|1,0,1]=4 14609 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,2,0,0,0,0|1,0,1]=4 14610 B11R0.40 O=CCCCCNC[C@H](O)CO 2230a_100020644852_100000139335 [0,2,0,0,0,0|1,0,1]=4 14611 B11R0.40 O=CCCCCSCC(O)CO 62a_100000139335_100011219619 [0,2,0,0,0,0|1,0,1]=4 14612 B11R0.40 O=CCCCCSCC(O)CO 62a_100011219619_100000139335 [0,2,0,0,0,0|1,0,1]=4 14613 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100000139335_100009815848 [0,2,0,0,0,0|1,0,1]=4 14614 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100009815848_100000139335 [0,2,0,0,0,0|1,0,1]=4 14615 B11R0.40 OCC(O)COCCCCCBr 34a_100000746331_100011219619 [0,2,0,0,0,0|1,0,0]=3 14616 B11R0.40 OCC(O)COCCCCCBr 7a_100000746331_100011219619 [0,2,0,0,0,0|1,0,0]=3 14617 B11R0.40 OCC(O)COCCCCCCl 34a_100000746330_100011219619 [0,2,0,0,0,0|1,0,0]=3 14618 B11R0.40 OCC(O)COCCCCCCl 7a_100000746330_100011219619 [0,2,0,0,0,0|1,0,0]=3 14619 B11R0.40 OCC(O)COCCCCCI 34a_200012148887_100011219619 [0,2,0,0,0,0|1,0,0]=3 14620 B11R0.40 OCC(O)COCCCCCI 7a_200012148887_100011219619 [0,2,0,0,0,0|1,0,0]=3 14621 B11R0.40 OCC(O)COCCOCCBr 34a_100000692535_100011219619 [0,2,0,0,0,0|2,0,0]=4 14622 B11R0.40 OCC(O)COCCOCCBr 7a_100000692535_100011219619 [0,2,0,0,0,0|2,0,0]=4 14623 B11R0.40 OCC(O)COCCOCCCl 34a_100011215305_100011219619 [0,2,0,0,0,0|2,0,0]=4 14624 B11R0.40 OCC(O)COCCOCCCl 7a_100011215305_100011219619 [0,2,0,0,0,0|2,0,0]=4 14625 B11R0.40 OCC(O)COCCOCCF 34a_200015357709_100011219619 [0,2,0,0,0,0|2,0,0]=4 14626 B11R0.40 OCC(O)COCCOCCF 7a_200015357709_100011219619 [0,2,0,0,0,0|2,0,0]=4 14627 B11R0.40 OCC(O)COCCOCCI 34a_100012149058_100011219619 [0,2,0,0,0,0|2,0,0]=4 14628 B11R0.40 OCC(O)COCCOCCI 7a_100012149058_100011219619 [0,2,0,0,0,0|2,0,0]=4 14629 B11R0.40 OCC(O)CSCCCCCF 62a_100000729378_100011219619 [0,2,0,0,0,0|1,0,0]=3 14630 B11R0.40 OCC(O)CSCCCCCF 62a_100011219619_100000729378 [0,2,0,0,0,0|1,0,0]=3 14631 B11R0.40 OCCCCCNCC(O)CO 2230a_100000762737_100011219619 [0,2,0,0,0,0|1,0,0]=3 14632 B11R0.40 OCCCCCNCC(O)CO 34a_100000762737_100011219619 [0,2,0,0,0,0|1,0,0]=3 14633 B11R0.40 OCCCCCNC[C@@H](F)CO 34a_100015665980_100000746330 [0,2,0,0,0,0|1,0,0]=3 14634 B11R0.40 OCCCCCNC[C@@H](O)CF 2230a_100000762737_100015614560 [0,2,0,0,0,0|1,0,0]=3 14635 B11R0.40 OCCCCCNC[C@@H](O)CF 34a_100000762737_100015614560 [0,2,0,0,0,0|1,0,0]=3 14636 B11R0.40 OCCCCCNC[C@@H](O)CO 2230a_100000762737_100009815848 [0,2,0,0,0,0|1,0,0]=3 14637 B11R0.40 OCCCCCNC[C@@H](O)CO 34a_100000762737_100009815848 [0,2,0,0,0,0|1,0,0]=3 14638 B11R0.40 OCCCCCNC[C@H](O)CO 2230a_100020644852_100000746330 [0,2,0,0,0,0|1,0,0]=3 14639 B11R0.40 OCCCCCOCC(Cl)CCl 34a_100000033668_100000746330 [0,2,0,0,0,0|1,0,0]=3 14640 B11R0.40 OCCCCCSCC(O)CO 62a_100000746330_100011219619 [0,2,0,0,0,0|1,0,0]=3 14641 B11R0.40 OCCCCCSCC(O)CO 62a_100011219619_100000746330 [0,2,0,0,0,0|1,0,0]=3 14642 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100000746330_100015614560 [0,2,0,0,0,0|1,0,0]=3 14643 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100015614560_100000746330 [0,2,0,0,0,0|1,0,0]=3 14644 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100000746330_100009815848 [0,2,0,0,0,0|1,0,0]=3 14645 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100009815848_100000746330 [0,2,0,0,0,0|1,0,0]=3 14646 B11R0.40 OCCOCCNCC(O)CO 2230a_100000211614_100011219619 [0,2,0,0,0,0|2,0,0]=4 14647 B11R0.40 OCCOCCNCC(O)CO 34a_100000211614_100011219619 [0,2,0,0,0,0|2,0,0]=4 14648 B11R0.40 OCCOCCNC[C@@H](F)CO 34a_100015665980_100000692535 [0,2,0,0,0,0|2,0,0]=4 14649 B11R0.40 OCCOCCNC[C@@H](O)CF 2230a_100000211614_100015614560 [0,2,0,0,0,0|2,0,0]=4 14650 B11R0.40 OCCOCCNC[C@@H](O)CF 34a_100000211614_100015614560 [0,2,0,0,0,0|2,0,0]=4 14651 B11R0.40 OCCOCCNC[C@@H](O)CO 2230a_100000211614_100009815848 [0,2,0,0,0,0|2,0,0]=4 14652 B11R0.40 OCCOCCNC[C@@H](O)CO 34a_100000211614_100009815848 [0,2,0,0,0,0|2,0,0]=4 14653 B11R0.40 OCCOCCNC[C@H](O)CO 2230a_100020644852_100011215305 [0,2,0,0,0,0|2,0,0]=4 14654 B11R0.40 OCCOCCOCC(Cl)CCl 34a_100000033668_100000692535 [0,2,0,0,0,0|2,0,0]=4 14655 B11R0.40 OCCOCCSCC(O)CO 62a_100011215305_100011219619 [0,2,0,0,0,0|2,0,0]=4 14656 B11R0.40 OCCOCCSCC(O)CO 62a_100011219619_100011215305 [0,2,0,0,0,0|2,0,0]=4 14657 B11R0.40 OCCOCCSC[C@@H](O)CF 62a_100011215305_100015614560 [0,2,0,0,0,0|2,0,0]=4 14658 B11R0.40 OCCOCCSC[C@@H](O)CF 62a_100015614560_100011215305 [0,2,0,0,0,0|2,0,0]=4 14659 B11R0.40 OCCOCCSC[C@@H](O)CO 62a_100009815848_100011215305 [0,2,0,0,0,0|2,0,0]=4 14660 B11R0.40 OCCOCCSC[C@@H](O)CO 62a_100011215305_100009815848 [0,2,0,0,0,0|2,0,0]=4 14661 B11R0.40 OCCSCCNCC(O)CO 2230a_100011219999_100011219619 [0,2,0,0,0,0|2,0,0]=4 14662 B11R0.40 OCCSCCNC[C@@H](O)CF 2230a_100011219999_100015614560 [0,2,0,0,0,0|2,0,0]=4 14663 B11R0.40 OCCSCCNC[C@@H](O)CO 2230a_100011219999_100009815848 [0,2,0,0,0,0|2,0,0]=4 14664 B11R0.40 OC[C@@H](O)CNCCCCCF 2230a_100020644852_100000729378 [0,2,0,0,0,0|1,0,0]=3 14665 B11R0.40 OC[C@H](F)CNCCCCCF 34a_100015665980_100000729378 [0,2,0,0,0,0|1,0,0]=3 14666 B11R0.40 OC[C@H](O)COCCCCCBr 34a_100000746331_100009815848 [0,2,0,0,0,0|1,0,0]=3 14667 B11R0.40 OC[C@H](O)COCCCCCBr 7a_100000746331_100009815848 [0,2,0,0,0,0|1,0,0]=3 14668 B11R0.40 OC[C@H](O)COCCCCCCl 34a_100000746330_100009815848 [0,2,0,0,0,0|1,0,0]=3 14669 B11R0.40 OC[C@H](O)COCCCCCCl 7a_100000746330_100009815848 [0,2,0,0,0,0|1,0,0]=3 14670 B11R0.40 OC[C@H](O)COCCCCCI 34a_200012148887_100009815848 [0,2,0,0,0,0|1,0,0]=3 14671 B11R0.40 OC[C@H](O)COCCCCCI 7a_200012148887_100009815848 [0,2,0,0,0,0|1,0,0]=3 14672 B11R0.40 OC[C@H](O)COCCOCCBr 34a_100000692535_100009815848 [0,2,0,0,0,0|2,0,0]=4 14673 B11R0.40 OC[C@H](O)COCCOCCBr 7a_100000692535_100009815848 [0,2,0,0,0,0|2,0,0]=4 14674 B11R0.40 OC[C@H](O)COCCOCCCl 34a_100011215305_100009815848 [0,2,0,0,0,0|2,0,0]=4 14675 B11R0.40 OC[C@H](O)COCCOCCCl 7a_100011215305_100009815848 [0,2,0,0,0,0|2,0,0]=4 14676 B11R0.40 OC[C@H](O)COCCOCCF 34a_200015357709_100009815848 [0,2,0,0,0,0|2,0,0]=4 14677 B11R0.40 OC[C@H](O)COCCOCCF 7a_200015357709_100009815848 [0,2,0,0,0,0|2,0,0]=4 14678 B11R0.40 OC[C@H](O)COCCOCCI 34a_100012149058_100009815848 [0,2,0,0,0,0|2,0,0]=4 14679 B11R0.40 OC[C@H](O)COCCOCCI 7a_100012149058_100009815848 [0,2,0,0,0,0|2,0,0]=4 14680 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100000729378_100009815848 [0,2,0,0,0,0|1,0,0]=3 14681 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100009815848_100000729378 [0,2,0,0,0,0|1,0,0]=3 14682 B11R0.40 O[C@@H](CF)COCCCCCBr 34a_100000746331_100015614560 [0,2,0,0,0,0|2,0,0]=4 14683 B11R0.40 O[C@@H](CF)COCCCCCBr 7a_100000746331_100015614560 [0,2,0,0,0,0|2,0,0]=4 14684 B11R0.40 O[C@@H](CF)COCCCCCCl 34a_100000746330_100015614560 [0,2,0,0,0,0|2,0,0]=4 14685 B11R0.40 O[C@@H](CF)COCCCCCCl 7a_100000746330_100015614560 [0,2,0,0,0,0|2,0,0]=4 14686 B11R0.40 O[C@@H](CF)COCCCCCI 34a_200012148887_100015614560 [0,2,0,0,0,0|2,0,0]=4 14687 B11R0.40 O[C@@H](CF)COCCCCCI 7a_200012148887_100015614560 [0,2,0,0,0,0|2,0,0]=4 14688 B11R0.40 O[C@@H](CF)CSCCCCCF 62a_100000729378_100015614560 [0,2,0,0,0,0|2,0,0]=4 14689 B11R0.40 O[C@@H](CF)CSCCCCCF 62a_100015614560_100000729378 [0,2,0,0,0,0|2,0,0]=4 14690 B11R0.42 C=C(C)C(=O)CCCCCCO 1458a_100000185857_100000766143 [0,2,0,0,0,0|0,0,2]=4 14691 B11R0.42 C=C(C)C(C)NCCCCCO 269862a_100000762737_100011216138 [0,2,0,0,0,0|1,0,1]=4 14692 B11R0.42 CC(=O)C(C)COCCCCO 34a_100000032740_100011216708 [0,2,0,0,0,0|1,0,1]=4 14693 B11R0.42 CC(=O)C(C)COCCCCO 7a_100000032740_100000210776 [0,2,0,0,0,0|1,0,1]=4 14694 B11R0.42 CC(=O)C(C)NCCCCCO 2230a_100000762737_100009814033 [0,2,0,0,0,0|1,0,1]=4 14695 B11R0.42 CC(=O)C(C)OCCCCCO 34a_100000212229_100000746330 [0,2,0,0,0,0|1,0,1]=4 14696 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100000746330_100009814033 [0,2,0,0,0,0|1,0,1]=4 14697 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100009814033_100000746330 [0,2,0,0,0,0|1,0,1]=4 14698 B11R0.42 CC(C)C(=O)CCCCCCF 1458a_100000210198_100015922095 [0,2,0,0,0,0|1,0,1]=4 14699 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100000210198_100000766143 [0,2,0,0,0,0|0,0,1]=3 14700 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100011996774_100000210206 [0,2,0,0,0,0|0,0,1]=3 14701 B11R0.42 CC(C)C(=O)CNCCCCO 2230a_100000750430_100000753385 [0,2,0,0,0,0|1,0,1]=4 14702 B11R0.42 CC(C)C(=O)CNCCCCO 34a_100000750430_100000753385 [0,2,0,0,0,0|1,0,1]=4 14703 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000210776_100000753385 [0,2,0,0,0,0|1,0,1]=4 14704 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000753385_100000210776 [0,2,0,0,0,0|1,0,1]=4 14705 B11R0.42 CC(C)C(=O)NCCCCCO 240690a_100000762737_100000210198 [0,2,0,0,0,0|1,0,1]=4 14706 B11R0.42 CC(C)C(C)NCCCCCF 2230a_100000211541_100000729378 [0,2,0,0,0,0|2,0,0]=4 14707 B11R0.42 CC(C)C(C)NCCCCCO 2230a_100000211541_100000746330 [0,2,0,0,0,0|1,0,0]=3 14708 B11R0.42 CC(C)C(C)NCCOCCO 2230a_100000211541_100011215305 [0,2,0,0,0,0|2,0,0]=4 14709 B11R0.42 CC(C)C(C)OCCCCCF 7a_100000748068_100000729378 [0,2,0,0,0,0|2,0,0]=4 14710 B11R0.42 CC(C)C(C)OCCCCCO 7a_100000748068_100000746330 [0,2,0,0,0,0|1,0,0]=3 14711 B11R0.42 CC(C)C(C)OCCOCCO 7a_100000748068_100011215305 [0,2,0,0,0,0|2,0,0]=4 14712 B11R0.42 CC(C)C(N)CCOCCCF 34a_100161115045_100011934791 [0,2,0,0,0,0|2,0,0]=4 14713 B11R0.42 CC(C)C(N)CCOCCCO 34a_100161115045_100000230001 [0,2,0,0,0,0|1,0,0]=3 14714 B11R0.42 CC(C)C(O)CNCCCCF 2230a_100000759067_100000729493 [0,2,0,0,0,0|2,0,0]=4 14715 B11R0.42 CC(C)C(O)CNCCCCF 34a_100000759067_100000729493 [0,2,0,0,0,0|2,0,0]=4 14716 B11R0.42 CC(C)C(O)CNCCCCO 2230a_100000759067_100000210776 [0,2,0,0,0,0|1,0,0]=3 14717 B11R0.42 CC(C)C(O)CNCCCCO 34a_100000759067_100011216708 [0,2,0,0,0,0|1,0,0]=3 14718 B11R0.42 CC(C)N(C)CCCCCCF 269982a_200000211004_100015922095 [0,2,0,0,0,0|2,0,0]=4 14719 B11R0.42 CC(C)N(C)CCCCCCO 269982a_200000211004_100000766143 [0,2,0,0,0,0|1,0,0]=3 14720 B11R0.42 CC(C)[C@@H](N)COCCCCF 34a_100011830312_100000729493 [0,2,0,0,0,0|2,0,0]=4 14721 B11R0.42 CC(C)[C@@H](N)COCCCCO 34a_100011830312_100011216708 [0,2,0,0,0,0|1,0,0]=3 14722 B11R0.42 CC(F)C(=O)CCCCCCF 1458a_100000062450_100015922095 [0,2,0,0,0,0|1,0,1]=4 14723 B11R0.42 CC(F)C(=O)CCCCCCO 1458a_100000062450_100000766143 [0,2,0,0,0,0|0,0,1]=3 14724 B11R0.42 CC(F)C(=O)NCCCCCO 240690a_100000762737_100000062450 [0,2,0,0,0,0|1,0,1]=4 14725 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,2,0,0,0,0|1,0,1]=4 14726 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,2,0,0,0,0|1,0,1]=4 14727 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,2,0,0,0,0|1,0,1]=4 14728 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [0,2,0,0,0,0|0,0,1]=3 14729 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,2,0,0,0,0|0,0,1]=3 14730 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,2,0,0,0,0|0,0,1]=3 14731 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,2,0,0,0,0|0,0,2]=4 14732 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [0,2,0,0,0,0|2,0,0]=4 14733 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [0,2,0,0,0,0|2,0,0]=4 14734 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [0,2,0,0,0,0|2,0,0]=4 14735 B11R0.42 CCCCCCCN(C)C(C)C 2230a_100000228206_100000210206 [0,2,0,0,0,0|2,0,0]=4 14736 B11R0.42 CCCCCCCN(C)C(C)C 269982a_100000228206_100000210206 [0,2,0,0,0,0|2,0,0]=4 14737 B11R0.42 CCCCCCCN(C)C(C)C 269982a_200000211004_100000210681 [0,2,0,0,0,0|2,0,0]=4 14738 B11R0.42 CCCCCCNC(=O)C(O)O 240690a_100000210581_100000233687 [0,2,0,0,0,0|1,0,1]=4 14739 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,2,0,0,0,0|1,0,1]=4 14740 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,2,0,0,0,0|1,0,1]=4 14741 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,2,0,0,0,0|1,0,1]=4 14742 B11R0.42 CCCCCCNC(C)C(C)C 2230a_100000211541_100000210314 [0,2,0,0,0,0|2,0,0]=4 14743 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,2,0,0,0,0|1,0,1]=4 14744 B11R0.42 CCCCCCOC(C)C(C)C 7a_100000748068_100000210314 [0,2,0,0,0,0|2,0,0]=4 14745 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,2,0,0,0,0|1,0,1]=4 14746 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,2,0,0,0,0|1,0,1]=4 14747 B11R0.42 CCCCCNCC(O)C(C)C 2230a_100000759067_100000210326 [0,2,0,0,0,0|2,0,0]=4 14748 B11R0.42 CCCCCNCC(O)C(C)C 34a_100000759067_100000718602 [0,2,0,0,0,0|2,0,0]=4 14749 B11R0.42 CCCCCOC[C@H](N)C(C)C 34a_100011830312_100000718602 [0,2,0,0,0,0|2,0,0]=4 14750 B11R0.42 CCCCOCCC(=O)C(O)O 1458a_100000233687_100000743108 [0,2,0,0,0,0|1,0,1]=4 14751 B11R0.42 CCCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000743108 [0,2,0,0,0,0|1,0,1]=4 14752 B11R0.42 CCCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000743108 [0,2,0,0,0,0|1,0,1]=4 14753 B11R0.42 CCCCOCCC(N)C(C)C 34a_100161115045_100000210210 [0,2,0,0,0,0|2,0,0]=4 14754 B11R0.42 CN(C)C(=O)CCCCCCO 240690a_100102631434_100011996774 [0,2,0,0,0,0|1,0,1]=4 14755 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [0,2,0,0,0,0|1,0,1]=4 14756 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [0,2,0,0,0,0|0,0,1]=3 14757 B11R0.42 C[C@@H](O)C(=O)NCCCCCO 240690a_100000762737_100000717761 [0,2,0,0,0,0|1,0,1]=4 14758 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [0,2,0,0,0,0|1,0,1]=4 14759 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [0,2,0,0,0,0|0,0,1]=3 14760 B11R0.42 C[C@H](O)C(=O)NCCCCCO 240690a_100000762737_217856618621 [0,2,0,0,0,0|1,0,1]=4 14761 B11R0.42 O=C(CCCCCCF)C(O)O 1458a_100000233687_100015922095 [0,2,0,0,0,0|1,0,1]=4 14762 B11R0.42 O=C(CCCCCCO)C(O)O 1458a_100000233687_100000766143 [0,2,0,0,0,0|1,0,1]=4 14763 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_100000695505_100000730704 [0,2,0,0,0,0|0,0,2]=4 14764 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_200000688413_100000210776 [0,2,0,0,0,0|0,0,2]=4 14765 B11R0.46 C=C(C)CCC(C)NCCCO 270004a_100000182051_100011215600 [0,2,0,0,0,0|1,0,1]=4 14766 B11R0.46 C=C(C)CCN(C)CCCCO 2230a_100000717598_100000730704 [0,2,0,0,0,0|1,0,1]=4 14767 B11R0.46 C=C(C)CCN(C)CCCCO 269982a_100000717598_100000730704 [0,2,0,0,0,0|1,0,1]=4 14768 B11R0.46 CC(=O)CCN(C)CCCCO 269982a_100000717598_100000053229 [0,2,0,0,0,0|1,0,1]=4 14769 B11R0.46 CC(C)CCC(=O)CCCCF 1458a_100000181311_100000729493 [0,2,0,0,0,0|1,0,1]=4 14770 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000181311_100000210776 [0,2,0,0,0,0|0,0,1]=3 14771 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000695505_100000210312 [0,2,0,0,0,0|0,0,1]=3 14772 B11R0.46 CC(C)CCC(=O)COCCO 1458a_100000708028_100000210312 [0,2,0,0,0,0|1,0,1]=4 14773 B11R0.46 CC(C)CCC(=O)NCCCO 240690a_100000182051_100000181311 [0,2,0,0,0,0|1,0,1]=4 14774 B11R0.46 CC(C)CCC(=O)NCCCO 527a_100000182051_100000181311 [0,2,0,0,0,0|1,0,1]=4 14775 B11R0.46 CC(C)CCC(C)NCCCF 2230a_100015189416_100011261404 [0,2,0,0,0,0|2,0,0]=4 14776 B11R0.46 CC(C)CCC(C)NCCCF 2230a_100138410893_100011934791 [0,2,0,0,0,0|2,0,0]=4 14777 B11R0.46 CC(C)CCC(C)NCCCF 270004a_100015189416_100000210476 [0,2,0,0,0,0|2,0,0]=4 14778 B11R0.46 CC(C)CCC(C)NCCCF 34a_100015189416_100011261404 [0,2,0,0,0,0|2,0,0]=4 14779 B11R0.46 CC(C)CCC(C)NCCCO 2230a_100138410893_100000230001 [0,2,0,0,0,0|1,0,0]=3 14780 B11R0.46 CC(C)CCC(C)NCCCO 270004a_100000182051_100000210476 [0,2,0,0,0,0|1,0,0]=3 14781 B11R0.46 CC(C)CCC(C)OCCCBr 34a_100011217188_100011261404 [0,2,0,0,0,0|2,0,0]=4 14782 B11R0.46 CC(C)CCC(C)OCCCCl 34a_100000230001_100011261404 [0,2,0,0,0,0|2,0,0]=4 14783 B11R0.46 CC(C)CCC(C)OCCCF 34a_100000759539_100011261404 [0,2,0,0,0,0|2,0,0]=4 14784 B11R0.46 CC(C)CCC(C)OCCCF 34a_100011215350_100011934791 [0,2,0,0,0,0|2,0,0]=4 14785 B11R0.46 CC(C)CCC(C)OCCCF 7a_100011215350_100011934791 [0,2,0,0,0,0|2,0,0]=4 14786 B11R0.46 CC(C)CCC(C)OCCCN 34a_100000182051_100011261404 [0,2,0,0,0,0|2,0,0]=4 14787 B11R0.46 CC(C)CCC(C)OCCCO 34a_100011215350_100000230001 [0,2,0,0,0,0|1,0,0]=3 14788 B11R0.46 CC(C)CCC(C)OCCCO 7a_100011215350_100011215043 [0,2,0,0,0,0|1,0,0]=3 14789 B11R0.46 CC(C)CCC(C)SCCCF 62a_100011261404_100011934791 [0,2,0,0,0,0|2,0,0]=4 14790 B11R0.46 CC(C)CCC(C)SCCCF 62a_100011934791_100011261404 [0,2,0,0,0,0|2,0,0]=4 14791 B11R0.46 CC(C)CCC(C)SCCCO 62a_100011215043_100011261404 [0,2,0,0,0,0|1,0,0]=3 14792 B11R0.46 CC(C)CCC(C)SCCCO 62a_100011261404_100011215043 [0,2,0,0,0,0|1,0,0]=3 14793 B11R0.46 CC(C)CCN(C)CCCCF 2230a_100000742789_100000729493 [0,2,0,0,0,0|2,0,0]=4 14794 B11R0.46 CC(C)CCN(C)CCCCF 269982a_100000742789_100000729493 [0,2,0,0,0,0|2,0,0]=4 14795 B11R0.46 CC(C)CCN(C)CCCCO 2230a_100000717598_100000210312 [0,2,0,0,0,0|1,0,0]=3 14796 B11R0.46 CC(C)CCN(C)CCCCO 2230a_100000742789_100000210776 [0,2,0,0,0,0|1,0,0]=3 14797 B11R0.46 CC(C)CCN(C)CCCCO 269982a_100000717598_100000210312 [0,2,0,0,0,0|1,0,0]=3 14798 B11R0.46 CC(C)CCN(C)CCCCO 269982a_100000742789_100000210776 [0,2,0,0,0,0|1,0,0]=3 14799 B11R0.46 CC(C)CNC(=O)CCCCO 1626a_100000210953_100000695505 [0,2,0,0,0,0|1,0,1]=4 14800 B11R0.46 CC(C)OCC(=O)CCCCO 1458a_100000745533_100000210776 [0,2,0,0,0,0|1,0,1]=4 14801 B11R0.46 CC(C)OCN(C)CCCCO 2230a_100000717598_100000709892 [0,2,0,0,0,0|2,0,0]=4 14802 B11R0.46 CC(C)OCN(C)CCCCO 269982a_100000717598_100000709892 [0,2,0,0,0,0|2,0,0]=4 14803 B11R0.46 CC(C)OC[C@@H](N)CCCCN 34a_100016993712_100000210206 [0,2,0,0,0,0|2,0,0]=4 14804 B11R0.46 CC(C)SCC(=O)CCCCO 1458a_100000241585_100000210776 [0,2,0,0,0,0|1,0,1]=4 14805 B11R0.46 CC(O)CCC(=O)CCCCO 1458a_100000695505_100012276601 [0,2,0,0,0,0|0,0,1]=3 14806 B11R0.46 CC(O)CCC(=O)COCCO 1458a_100000708028_100012276601 [0,2,0,0,0,0|1,0,1]=4 14807 B11R0.46 CC(O)CCN(C)CCCCO 2230a_100000717598_100012276601 [0,2,0,0,0,0|1,0,0]=3 14808 B11R0.46 CC(O)CCN(C)CCCCO 269982a_100000717598_100012276601 [0,2,0,0,0,0|1,0,0]=3 14809 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000181311_100000210326 [0,2,0,0,0,0|1,0,1]=4 14810 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000212188_100000210312 [0,2,0,0,0,0|1,0,1]=4 14811 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [0,2,0,0,0,0|0,0,1]=3 14812 B11R0.46 CCCCCC(=O)NCC(C)O 11a_100000210904_100000212188 [0,2,0,0,0,0|1,0,1]=4 14813 B11R0.46 CCCCCC(=O)NCC(C)O 240690a_100000210904_100000212188 [0,2,0,0,0,0|1,0,1]=4 14814 B11R0.46 CCCCCC(=O)NCC(C)O 527a_100000210904_100000212188 [0,2,0,0,0,0|1,0,1]=4 14815 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,2,0,0,0,0|0,0,2]=4 14816 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,2,0,0,0,0|0,0,2]=4 14817 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,2,0,0,0,0|1,0,1]=4 14818 B11R0.46 CCCCCC(C)NCC(C)C 2230a_100000210953_200011218191 [0,2,0,0,0,0|2,0,0]=4 14819 B11R0.46 CCCCCC(C)NCC(C)C 2230a_100000211957_100000210760 [0,2,0,0,0,0|2,0,0]=4 14820 B11R0.46 CCCCCC(C)NCC(C)C 270004a_100000210953_100000211708 [0,2,0,0,0,0|2,0,0]=4 14821 B11R0.46 CCCCCC(C)NCC(C)C 270004a_100000211957_100000210432 [0,2,0,0,0,0|2,0,0]=4 14822 B11R0.46 CCCCCC(C)NCC(C)C 34a_100000210953_200011218191 [0,2,0,0,0,0|2,0,0]=4 14823 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000210904_200011218191 [0,2,0,0,0,0|1,0,0]=3 14824 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000211957_100011218427 [0,2,0,0,0,0|1,0,0]=3 14825 B11R0.46 CCCCCC(C)NCC(C)O 270004a_100000210904_100000211708 [0,2,0,0,0,0|1,0,0]=3 14826 B11R0.46 CCCCCC(C)NCC(C)O 34a_100000210904_200011218191 [0,2,0,0,0,0|1,0,0]=3 14827 B11R0.46 CCCCCC(C)NCC(F)F 2230a_100000211957_100011934356 [0,2,0,0,0,0|2,0,0]=4 14828 B11R0.46 CCCCCC(C)NCC(F)F 270004a_100000765723_100000211708 [0,2,0,0,0,0|2,0,0]=4 14829 B11R0.46 CCCCCC(C)NCC(F)F 34a_100000765723_200011218191 [0,2,0,0,0,0|2,0,0]=4 14830 B11R0.46 CCCCCC(C)NC[C@@H](C)O 2230a_100000211957_100009817552 [0,2,0,0,0,0|1,0,0]=3 14831 B11R0.46 CCCCCC(C)OCC(C)Br 34a_100012180447_200011218191 [0,2,0,0,0,0|2,0,0]=4 14832 B11R0.46 CCCCCC(C)OCC(C)C 34a_100000210257_200011218191 [0,2,0,0,0,0|2,0,0]=4 14833 B11R0.46 CCCCCC(C)OCC(C)C 34a_100011215632_100000210624 [0,2,0,0,0,0|2,0,0]=4 14834 B11R0.46 CCCCCC(C)OCC(C)C 7a_100011215632_100000210760 [0,2,0,0,0,0|2,0,0]=4 14835 B11R0.46 CCCCCC(C)OCC(C)F 34a_100015925927_200011218191 [0,2,0,0,0,0|2,0,0]=4 14836 B11R0.46 CCCCCC(C)OCC(C)O 34a_100011215632_100011218427 [0,2,0,0,0,0|1,0,0]=3 14837 B11R0.46 CCCCCC(C)OCC(C)O 7a_100011215632_100011218427 [0,2,0,0,0,0|1,0,0]=3 14838 B11R0.46 CCCCCC(C)OCC(F)F 34a_100000743014_200011218191 [0,2,0,0,0,0|2,0,0]=4 14839 B11R0.46 CCCCCC(C)OCC(F)F 34a_100011215632_100011934356 [0,2,0,0,0,0|2,0,0]=4 14840 B11R0.46 CCCCCC(C)OCC(F)F 7a_100011215632_100011934356 [0,2,0,0,0,0|2,0,0]=4 14841 B11R0.46 CCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011218191 [0,2,0,0,0,0|2,0,0]=4 14842 B11R0.46 CCCCCC(C)OC[C@@H](C)N 34a_100000737577_200011218191 [0,2,0,0,0,0|2,0,0]=4 14843 B11R0.46 CCCCCC(C)OC[C@@H](C)O 34a_100011215632_100009817552 [0,2,0,0,0,0|1,0,0]=3 14844 B11R0.46 CCCCCC(C)OC[C@@H](C)O 7a_100011215632_100009817552 [0,2,0,0,0,0|1,0,0]=3 14845 B11R0.46 CCCCCC(C)SCC(C)C 62a_100000210624_200011218191 [0,2,0,0,0,0|2,0,0]=4 14846 B11R0.46 CCCCCC(C)SCC(C)C 62a_200011218191_100000210760 [0,2,0,0,0,0|2,0,0]=4 14847 B11R0.46 CCCCCC(C)SCC(C)O 62a_100011218427_200011218191 [0,2,0,0,0,0|1,0,0]=3 14848 B11R0.46 CCCCCC(C)SCC(C)O 62a_200011218191_100011218427 [0,2,0,0,0,0|1,0,0]=3 14849 B11R0.46 CCCCCC(C)SCC(F)F 62a_100011934356_200011218191 [0,2,0,0,0,0|2,0,0]=4 14850 B11R0.46 CCCCCC(C)SCC(F)F 62a_200011218191_100011934356 [0,2,0,0,0,0|2,0,0]=4 14851 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218191 [0,2,0,0,0,0|1,0,0]=3 14852 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_200011218191_100009817552 [0,2,0,0,0,0|1,0,0]=3 14853 B11R0.46 CCCCCN(C)CCC(C)C 2230a_100000223495_100000210312 [0,2,0,0,0,0|2,0,0]=4 14854 B11R0.46 CCCCCN(C)CCC(C)C 2230a_100000742789_100000210326 [0,2,0,0,0,0|2,0,0]=4 14855 B11R0.46 CCCCCN(C)CCC(C)C 269982a_100000223495_100000210312 [0,2,0,0,0,0|2,0,0]=4 14856 B11R0.46 CCCCCN(C)CCC(C)C 269982a_100000742789_100000210215 [0,2,0,0,0,0|2,0,0]=4 14857 B11R0.46 CCCCCN(C)CCC(C)O 2230a_100000223495_100012276601 [0,2,0,0,0,0|1,0,0]=3 14858 B11R0.46 CCCCCN(C)CCC(C)O 269982a_100000223495_100012276601 [0,2,0,0,0,0|1,0,0]=3 14859 B11R0.46 CCCCNC(=O)CCC(C)O 1626a_100000102301_100000718519 [0,2,0,0,0,0|1,0,1]=4 14860 B11R0.46 CCCCNC(C)CCC(C)C 2230a_100000102301_100011261404 [0,2,0,0,0,0|2,0,0]=4 14861 B11R0.46 CCCCNC(C)CCC(C)C 2230a_100138410893_100000210211 [0,2,0,0,0,0|2,0,0]=4 14862 B11R0.46 CCCCNC(C)CCC(C)C 270004a_100000102301_100000210476 [0,2,0,0,0,0|2,0,0]=4 14863 B11R0.46 CCCCOC(C)CCC(C)C 34a_100000210227_100011261404 [0,2,0,0,0,0|2,0,0]=4 14864 B11R0.46 CCCCOC(C)CCC(C)C 34a_100011215350_100000210210 [0,2,0,0,0,0|2,0,0]=4 14865 B11R0.46 CCCCOC(C)CCC(C)C 7a_100011215350_100000210211 [0,2,0,0,0,0|2,0,0]=4 14866 B11R0.46 CCCCSC(C)CCC(C)C 62a_100000210211_100011261404 [0,2,0,0,0,0|2,0,0]=4 14867 B11R0.46 CCCCSC(C)CCC(C)C 62a_100011261404_100000210210 [0,2,0,0,0,0|2,0,0]=4 14868 B11R0.46 CCCOCC(=O)CCC(C)O 1458a_100000745993_100012276601 [0,2,0,0,0,0|1,0,1]=4 14869 B11R0.46 CCCSCC(=O)CCC(C)O 1458a_100000217233_100012276601 [0,2,0,0,0,0|1,0,1]=4 14870 B11R0.46 CCCSCC(C)NCC(C)O 270004a_100000210904_100011343953 [0,2,0,0,0,0|2,0,0]=4 14871 B11R0.46 CCOCCC(=O)CCC(C)O 1458a_100000749530_100012276601 [0,2,0,0,0,0|1,0,1]=4 14872 B11R0.46 CCOCCC(C)NCC(C)O 270004a_100000210904_200011216536 [0,2,0,0,0,0|2,0,0]=4 14873 B11R0.46 CCSCCC(=O)CCC(C)O 1458a_100000230768_100012276601 [0,2,0,0,0,0|1,0,1]=4 14874 B11R0.46 CN(C)CCN(C)CCCCO 269982a_100000225618_100000210776 [0,2,0,0,0,0|2,0,0]=4 14875 B11R0.46 CN(C)CCN(C)CCCCO 269982a_100000717598_100000755713 [0,2,0,0,0,0|2,0,0]=4 14876 B11R0.46 COCCCC(=O)CCC(C)O 1458a_100000741012_100012276601 [0,2,0,0,0,0|1,0,1]=4 14877 B11R0.46 COCCCC(C)OCC(C)O 34a_200011539412_100011218427 [0,2,0,0,0,0|2,0,0]=4 14878 B11R0.46 COCCCC(C)OCC(C)O 7a_200011539412_100011218427 [0,2,0,0,0,0|2,0,0]=4 14879 B11R0.46 COCCCC(C)OC[C@@H](C)O 34a_200011539412_100009817552 [0,2,0,0,0,0|2,0,0]=4 14880 B11R0.46 COCCCC(C)OC[C@@H](C)O 7a_200011539412_100009817552 [0,2,0,0,0,0|2,0,0]=4 14881 B11R0.46 COCCCN(C)CCC(C)O 2230a_100000224831_100012276601 [0,2,0,0,0,0|2,0,0]=4 14882 B11R0.46 COCCCN(C)CCC(C)O 269982a_100000224831_100012276601 [0,2,0,0,0,0|2,0,0]=4 14883 B11R0.46 CSCCCC(=O)CCC(C)O 1458a_100000173376_100012276601 [0,2,0,0,0,0|1,0,1]=4 14884 B11R0.46 CSCCCC(C)NCC(C)O 270004a_100000210904_100011399439 [0,2,0,0,0,0|2,0,0]=4 14885 B11R0.46 C[S+](C)CCC(=O)CCCCO 1458a_100009452791_100000210776 [0,2,0,0,0,0|1,0,1]=4 14886 B11R0.111 C=C(C)CCNCCC(C)CO 2230a_106354213184_100000730704 [0,2,0,0,0,0|1,0,1]=4 14887 B11R0.111 C=C(C)CCNCCC(C)CO 34a_106354213184_100000730704 [0,2,0,0,0,0|1,0,1]=4 14888 B11R0.111 CC(=O)CCCCSC(C)CO 62a_100012180447_100000735457 [0,2,0,0,0,0|1,0,1]=4 14889 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100000735457_100016084084 [0,2,0,0,0,0|1,0,1]=4 14890 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000735457 [0,2,0,0,0,0|1,0,1]=4 14891 B11R0.111 CC(=O)CCCNCC(C)CO 34a_100000744482_100000685027 [0,2,0,0,0,0|1,0,1]=4 14892 B11R0.111 CC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000685027 [0,2,0,0,0,0|1,0,1]=4 14893 B11R0.111 CC(=O)CCCOCC(O)CO 34a_100000759063_100011219619 [0,2,0,0,0,0|1,0,1]=4 14894 B11R0.111 CC(=O)CCCOCC(O)CO 7a_100000759063_100011219619 [0,2,0,0,0,0|1,0,1]=4 14895 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 34a_100000759063_100000059175 [0,2,0,0,0,0|1,0,1]=4 14896 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 7a_100000759063_100000059175 [0,2,0,0,0,0|1,0,1]=4 14897 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 34a_100000759063_100009815848 [0,2,0,0,0,0|1,0,1]=4 14898 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 7a_100000759063_100009815848 [0,2,0,0,0,0|1,0,1]=4 14899 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011215641_100011219619 [0,2,0,0,0,0|1,0,1]=4 14900 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011219619_100011215641 [0,2,0,0,0,0|1,0,1]=4 14901 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011215641 [0,2,0,0,0,0|1,0,1]=4 14902 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100011215641_100000059175 [0,2,0,0,0,0|1,0,1]=4 14903 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011215641 [0,2,0,0,0,0|1,0,1]=4 14904 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100011215641_100009815848 [0,2,0,0,0,0|1,0,1]=4 14905 B11R0.111 CC(C)CCCCCC(=O)CF 1458a_100000766313_100015361967 [0,2,0,0,0,0|1,0,1]=4 14906 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [0,2,0,0,0,0|0,0,1]=3 14907 B11R0.111 CC(C)CCCCN[C@H](C)CO 2230a_100000737577_100011216152 [0,2,0,0,0,0|1,0,0]=3 14908 B11R0.111 CC(C)CCCCOC(C)CF 34a_100016041109_100011216152 [0,2,0,0,0,0|2,0,0]=4 14909 B11R0.111 CC(C)CCCCOC(C)CF 7a_100016041109_100011216152 [0,2,0,0,0,0|2,0,0]=4 14910 B11R0.111 CC(C)CCCCOC(C)CN 34a_100000210904_100011216152 [0,2,0,0,0,0|2,0,0]=4 14911 B11R0.111 CC(C)CCCCOC(C)CO 34a_100011214890_100012180447 [0,2,0,0,0,0|1,0,0]=3 14912 B11R0.111 CC(C)CCCCOC(C)CO 7a_100011214890_100012180447 [0,2,0,0,0,0|1,0,0]=3 14913 B11R0.111 CC(C)CCCCSC(C)CO 62a_100012180447_100011216152 [0,2,0,0,0,0|1,0,0]=3 14914 B11R0.111 CC(C)CCCCS[C@H](C)CO 62a_100011216152_100016084084 [0,2,0,0,0,0|1,0,0]=3 14915 B11R0.111 CC(C)CCCCS[C@H](C)CO 62a_100016084084_100011216152 [0,2,0,0,0,0|1,0,0]=3 14916 B11R0.111 CC(C)CCCNCC(C)CO 34a_100000744482_100011214892 [0,2,0,0,0,0|1,0,0]=3 14917 B11R0.111 CC(C)CCCNCC(O)CO 2230a_200000737386_100011219619 [0,2,0,0,0,0|1,0,0]=3 14918 B11R0.111 CC(C)CCCNCC(O)CO 34a_200000737386_100011219619 [0,2,0,0,0,0|1,0,0]=3 14919 B11R0.111 CC(C)CCCNC[C@@H](C)CO 2230a_200000737386_100000059175 [0,2,0,0,0,0|1,0,0]=3 14920 B11R0.111 CC(C)CCCNC[C@@H](C)CO 34a_200000737386_100000059175 [0,2,0,0,0,0|1,0,0]=3 14921 B11R0.111 CC(C)CCCNC[C@@H](F)CO 34a_100015665980_100011214892 [0,2,0,0,0,0|1,0,0]=3 14922 B11R0.111 CC(C)CCCNC[C@@H](O)CF 2230a_200000737386_100015614560 [0,2,0,0,0,0|2,0,0]=4 14923 B11R0.111 CC(C)CCCNC[C@@H](O)CF 34a_200000737386_100015614560 [0,2,0,0,0,0|2,0,0]=4 14924 B11R0.111 CC(C)CCCNC[C@@H](O)CO 2230a_200000737386_100009815848 [0,2,0,0,0,0|1,0,0]=3 14925 B11R0.111 CC(C)CCCNC[C@@H](O)CO 34a_200000737386_100009815848 [0,2,0,0,0,0|1,0,0]=3 14926 B11R0.111 CC(C)CCCNC[C@H](O)CO 2230a_100020644852_100011214892 [0,2,0,0,0,0|1,0,0]=3 14927 B11R0.111 CC(C)CCCOCC(C)CN 34a_100000744482_100011214892 [0,2,0,0,0,0|2,0,0]=4 14928 B11R0.111 CC(C)CCCOCC(Cl)CCl 34a_100000033668_100011214892 [0,2,0,0,0,0|2,0,0]=4 14929 B11R0.111 CC(C)CCCOCC(O)CO 34a_100000210774_100011219619 [0,2,0,0,0,0|1,0,0]=3 14930 B11R0.111 CC(C)CCCOCC(O)CO 7a_100000210774_100011219619 [0,2,0,0,0,0|1,0,0]=3 14931 B11R0.111 CC(C)CCCOC[C@@H](C)CO 34a_100000210774_100000059175 [0,2,0,0,0,0|1,0,0]=3 14932 B11R0.111 CC(C)CCCOC[C@@H](C)CO 7a_100000210774_100000059175 [0,2,0,0,0,0|1,0,0]=3 14933 B11R0.111 CC(C)CCCOC[C@@H](O)CF 34a_100000210774_100015614560 [0,2,0,0,0,0|2,0,0]=4 14934 B11R0.111 CC(C)CCCOC[C@@H](O)CF 7a_100000210774_100015614560 [0,2,0,0,0,0|2,0,0]=4 14935 B11R0.111 CC(C)CCCOC[C@@H](O)CO 34a_100000210774_100009815848 [0,2,0,0,0,0|1,0,0]=3 14936 B11R0.111 CC(C)CCCOC[C@@H](O)CO 7a_100000210774_100009815848 [0,2,0,0,0,0|1,0,0]=3 14937 B11R0.111 CC(C)CCCOC[C@H](F)CN 34a_100015665980_100011214892 [0,2,0,0,0,0|2,0,0]=4 14938 B11R0.111 CC(C)CCCSCC(O)CO 62a_100011214892_100011219619 [0,2,0,0,0,0|1,0,0]=3 14939 B11R0.111 CC(C)CCCSCC(O)CO 62a_100011219619_100011214892 [0,2,0,0,0,0|1,0,0]=3 14940 B11R0.111 CC(C)CCCSC[C@@H](C)CO 62a_100000059175_100011214892 [0,2,0,0,0,0|1,0,0]=3 14941 B11R0.111 CC(C)CCCSC[C@@H](C)CO 62a_100011214892_100000059175 [0,2,0,0,0,0|1,0,0]=3 14942 B11R0.111 CC(C)CCCSC[C@@H](O)CF 62a_100011214892_100015614560 [0,2,0,0,0,0|2,0,0]=4 14943 B11R0.111 CC(C)CCCSC[C@@H](O)CF 62a_100015614560_100011214892 [0,2,0,0,0,0|2,0,0]=4 14944 B11R0.111 CC(C)CCCSC[C@@H](O)CO 62a_100009815848_100011214892 [0,2,0,0,0,0|1,0,0]=3 14945 B11R0.111 CC(C)CCCSC[C@@H](O)CO 62a_100011214892_100009815848 [0,2,0,0,0,0|1,0,0]=3 14946 B11R0.111 CC(C)CCNCCC(C)CO 2230a_106354213184_100000210312 [0,2,0,0,0,0|1,0,0]=3 14947 B11R0.111 CC(C)CCNCCC(C)CO 269862a_106354213184_100000185833 [0,2,0,0,0,0|1,0,0]=3 14948 B11R0.111 CC(C)CCNCCC(C)CO 34a_106354213184_100000210312 [0,2,0,0,0,0|1,0,0]=3 14949 B11R0.111 CC(C)CNCCOC(C)CO 34a_100015185251_100012180447 [0,2,0,0,0,0|2,0,0]=4 14950 B11R0.111 CC(C)COCCC[C@@H](C)CN 34a_100160569302_100000210624 [0,2,0,0,0,0|2,0,0]=4 14951 B11R0.111 CC(C)COCCOC(C)CO 34a_100000703358_100012180447 [0,2,0,0,0,0|2,0,0]=4 14952 B11R0.111 CC(C)COCCOC(C)CO 7a_100000703358_100012180447 [0,2,0,0,0,0|2,0,0]=4 14953 B11R0.111 CC(C)CSCCOC(C)CO 34a_200000230437_100012180447 [0,2,0,0,0,0|2,0,0]=4 14954 B11R0.111 CC(C)CSCCOC(C)CO 7a_200000230437_100012180447 [0,2,0,0,0,0|2,0,0]=4 14955 B11R0.111 CC(C)NCCCOC(C)CO 34a_100000182298_100012180447 [0,2,0,0,0,0|2,0,0]=4 14956 B11R0.111 CC(C)NCCOCC(O)CO 34a_100000224655_100011219619 [0,2,0,0,0,0|2,0,0]=4 14957 B11R0.111 CC(C)NCCOC[C@@H](C)CO 34a_100000224655_100000059175 [0,2,0,0,0,0|2,0,0]=4 14958 B11R0.111 CC(C)NCCOC[C@@H](O)CO 34a_100000224655_100009815848 [0,2,0,0,0,0|2,0,0]=4 14959 B11R0.111 CC(C)OCCNCC(O)CO 2230a_100000701111_100011219619 [0,2,0,0,0,0|2,0,0]=4 14960 B11R0.111 CC(C)OCCNCC(O)CO 34a_100000701111_100011219619 [0,2,0,0,0,0|2,0,0]=4 14961 B11R0.111 CC(C)OCCNC[C@@H](C)CO 2230a_100000701111_100000059175 [0,2,0,0,0,0|2,0,0]=4 14962 B11R0.111 CC(C)OCCNC[C@@H](C)CO 34a_100000701111_100000059175 [0,2,0,0,0,0|2,0,0]=4 14963 B11R0.111 CC(C)OCCNC[C@@H](F)CO 34a_100015665980_100000211751 [0,2,0,0,0,0|2,0,0]=4 14964 B11R0.111 CC(C)OCCNC[C@@H](O)CO 2230a_100000701111_100009815848 [0,2,0,0,0,0|2,0,0]=4 14965 B11R0.111 CC(C)OCCNC[C@@H](O)CO 34a_100000701111_100009815848 [0,2,0,0,0,0|2,0,0]=4 14966 B11R0.111 CC(C)OCCNC[C@H](O)CO 2230a_100020644852_100000211751 [0,2,0,0,0,0|2,0,0]=4 14967 B11R0.111 CC(C)OCCOCC(O)CO 34a_100000211219_100011219619 [0,2,0,0,0,0|2,0,0]=4 14968 B11R0.111 CC(C)OCCOCC(O)CO 7a_100000211219_100011219619 [0,2,0,0,0,0|2,0,0]=4 14969 B11R0.111 CC(C)OCCOC[C@@H](C)CO 34a_100000211219_100000059175 [0,2,0,0,0,0|2,0,0]=4 14970 B11R0.111 CC(C)OCCOC[C@@H](C)CO 7a_100000211219_100000059175 [0,2,0,0,0,0|2,0,0]=4 14971 B11R0.111 CC(C)OCCOC[C@@H](O)CO 34a_100000211219_100009815848 [0,2,0,0,0,0|2,0,0]=4 14972 B11R0.111 CC(C)OCCOC[C@@H](O)CO 7a_100000211219_100009815848 [0,2,0,0,0,0|2,0,0]=4 14973 B11R0.111 CC(C)OCCSCC(O)CO 62a_100000211751_100011219619 [0,2,0,0,0,0|2,0,0]=4 14974 B11R0.111 CC(C)OCCSCC(O)CO 62a_100011219619_100000211751 [0,2,0,0,0,0|2,0,0]=4 14975 B11R0.111 CC(C)OCCSC[C@@H](C)CO 62a_100000059175_100000211751 [0,2,0,0,0,0|2,0,0]=4 14976 B11R0.111 CC(C)OCCSC[C@@H](C)CO 62a_100000211751_100000059175 [0,2,0,0,0,0|2,0,0]=4 14977 B11R0.111 CC(C)OCCSC[C@@H](O)CO 62a_100000211751_100009815848 [0,2,0,0,0,0|2,0,0]=4 14978 B11R0.111 CC(C)OCCSC[C@@H](O)CO 62a_100009815848_100000211751 [0,2,0,0,0,0|2,0,0]=4 14979 B11R0.111 CC(C)SCCNCC(O)CO 2230a_100000731138_100011219619 [0,2,0,0,0,0|2,0,0]=4 14980 B11R0.111 CC(C)SCCNCC(O)CO 34a_100000731138_100011219619 [0,2,0,0,0,0|2,0,0]=4 14981 B11R0.111 CC(C)SCCNC[C@@H](C)CO 2230a_100000731138_100000059175 [0,2,0,0,0,0|2,0,0]=4 14982 B11R0.111 CC(C)SCCNC[C@@H](C)CO 34a_100000731138_100000059175 [0,2,0,0,0,0|2,0,0]=4 14983 B11R0.111 CC(C)SCCNC[C@@H](F)CO 34a_100015665980_100000730970 [0,2,0,0,0,0|2,0,0]=4 14984 B11R0.111 CC(C)SCCNC[C@@H](O)CO 2230a_100000731138_100009815848 [0,2,0,0,0,0|2,0,0]=4 14985 B11R0.111 CC(C)SCCNC[C@@H](O)CO 34a_100000731138_100009815848 [0,2,0,0,0,0|2,0,0]=4 14986 B11R0.111 CC(C)SCCNC[C@H](O)CO 2230a_100020644852_100000730970 [0,2,0,0,0,0|2,0,0]=4 14987 B11R0.111 CC(C)SCCOCC(O)CO 34a_200011212901_100011219619 [0,2,0,0,0,0|2,0,0]=4 14988 B11R0.111 CC(C)SCCOCC(O)CO 7a_200011212901_100011219619 [0,2,0,0,0,0|2,0,0]=4 14989 B11R0.111 CC(C)SCCOC[C@@H](C)CO 34a_200011212901_100000059175 [0,2,0,0,0,0|2,0,0]=4 14990 B11R0.111 CC(C)SCCOC[C@@H](C)CO 7a_200011212901_100000059175 [0,2,0,0,0,0|2,0,0]=4 14991 B11R0.111 CC(C)SCCOC[C@@H](O)CO 34a_200011212901_100009815848 [0,2,0,0,0,0|2,0,0]=4 14992 B11R0.111 CC(C)SCCOC[C@@H](O)CO 7a_200011212901_100009815848 [0,2,0,0,0,0|2,0,0]=4 14993 B11R0.111 CC(C)SCCSCC(O)CO 62a_100000730970_100011219619 [0,2,0,0,0,0|2,0,0]=4 14994 B11R0.111 CC(C)SCCSCC(O)CO 62a_100011219619_100000730970 [0,2,0,0,0,0|2,0,0]=4 14995 B11R0.111 CC(C)SCCSC[C@@H](C)CO 62a_100000059175_100000730970 [0,2,0,0,0,0|2,0,0]=4 14996 B11R0.111 CC(C)SCCSC[C@@H](C)CO 62a_100000730970_100000059175 [0,2,0,0,0,0|2,0,0]=4 14997 B11R0.111 CC(C)SCCSC[C@@H](O)CO 62a_100000730970_100009815848 [0,2,0,0,0,0|2,0,0]=4 14998 B11R0.111 CC(C)SCCSC[C@@H](O)CO 62a_100009815848_100000730970 [0,2,0,0,0,0|2,0,0]=4 14999 B11R0.111 CC(CO)CCNCOC(C)C 2230a_106354213184_100000709892 [0,2,0,0,0,0|2,0,0]=4 15000 B11R0.111 CC(CO)CCNCOC(C)C 34a_106354213184_100000709892 [0,2,0,0,0,0|2,0,0]=4 15001 B11R0.111 CC(CO)CNCCOC(C)C 34a_100000744482_100000211751 [0,2,0,0,0,0|2,0,0]=4 15002 B11R0.111 CC(CO)CNCCSC(C)C 34a_100000744482_100000730970 [0,2,0,0,0,0|2,0,0]=4 15003 B11R0.111 CC(CO)NCCCOC(C)C 2230a_100000737246_100012180447 [0,2,0,0,0,0|2,0,0]=4 15004 B11R0.111 CC(CO)NCCCOC(C)C 34a_100000737246_100012180447 [0,2,0,0,0,0|2,0,0]=4 15005 B11R0.111 CC(CO)SCCCCN(C)C 62a_100012180447_100000690147 [0,2,0,0,0,0|2,0,0]=4 15006 B11R0.111 CC(O)CCCNCC(C)CO 34a_100000744482_200000718107 [0,2,0,0,0,0|1,0,0]=3 15007 B11R0.111 CC(O)CCCNC[C@@H](F)CO 34a_100015665980_200000718107 [0,2,0,0,0,0|1,0,0]=3 15008 B11R0.111 CC(O)CCCNC[C@H](O)CO 2230a_100020644852_200000718107 [0,2,0,0,0,0|1,0,0]=3 15009 B11R0.111 CC(O)CCCOCC(C)CN 34a_100000744482_200000718107 [0,2,0,0,0,0|2,0,0]=4 15010 B11R0.111 CC(O)CCCOCC(Cl)CCl 34a_100000033668_200000718107 [0,2,0,0,0,0|2,0,0]=4 15011 B11R0.111 CC(O)CCCOC[C@H](F)CN 34a_100015665980_200000718107 [0,2,0,0,0,0|2,0,0]=4 15012 B11R0.111 CC(O)CCCSCC(O)CO 62a_100011219619_200000718107 [0,2,0,0,0,0|1,0,0]=3 15013 B11R0.111 CC(O)CCCSCC(O)CO 62a_200000718107_100011219619 [0,2,0,0,0,0|1,0,0]=3 15014 B11R0.111 CC(O)CCCSC[C@@H](C)CO 62a_100000059175_200000718107 [0,2,0,0,0,0|1,0,0]=3 15015 B11R0.111 CC(O)CCCSC[C@@H](C)CO 62a_200000718107_100000059175 [0,2,0,0,0,0|1,0,0]=3 15016 B11R0.111 CC(O)CCCSC[C@@H](O)CF 62a_100015614560_200000718107 [0,2,0,0,0,0|2,0,0]=4 15017 B11R0.111 CC(O)CCCSC[C@@H](O)CF 62a_200000718107_100015614560 [0,2,0,0,0,0|2,0,0]=4 15018 B11R0.111 CC(O)CCCSC[C@@H](O)CO 62a_100009815848_200000718107 [0,2,0,0,0,0|1,0,0]=3 15019 B11R0.111 CC(O)CCCSC[C@@H](O)CO 62a_200000718107_100009815848 [0,2,0,0,0,0|1,0,0]=3 15020 B11R0.111 CC(O)CCNCCC(C)CO 2230a_106354213184_100012276601 [0,2,0,0,0,0|1,0,0]=3 15021 B11R0.111 CC(O)CCNCCC(C)CO 34a_106354213184_100012276601 [0,2,0,0,0,0|1,0,0]=3 15022 B11R0.111 CC(O)COCCC[C@@H](C)CN 34a_100160569302_100011218427 [0,2,0,0,0,0|2,0,0]=4 15023 B11R0.111 CCC(=O)CCCCCB(O)O 1458a_100000210414_200009817188 [0,2,0,0,0,0|1,0,1]=4 15024 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,2,0,0,0,0|1,0,1]=4 15025 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,2,0,0,0,0|1,0,1]=4 15026 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [0,2,0,0,0,0|1,0,1]=4 15027 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [0,2,0,0,0,0|1,0,1]=4 15028 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [0,2,0,0,0,0|1,0,1]=4 15029 B11R0.111 CCC(C)CCCOCC(C)C 7a_100011216074_100000210760 [0,2,0,0,0,0|2,0,0]=4 15030 B11R0.111 CCC(C)CCCOCC(C)O 7a_100011216074_100011218427 [0,2,0,0,0,0|1,0,0]=3 15031 B11R0.111 CCC(C)CCCOCC(F)F 7a_100011216074_100011934356 [0,2,0,0,0,0|2,0,0]=4 15032 B11R0.111 CCC(C)CCCOC[C@@H](C)O 7a_100011216074_100009817552 [0,2,0,0,0,0|1,0,0]=3 15033 B11R0.111 CCC(C)CCNCCC(C)C 2230a_100020591266_100000210312 [0,2,0,0,0,0|2,0,0]=4 15034 B11R0.111 CCC(C)CCNCCC(C)C 269862a_100020591266_100000185833 [0,2,0,0,0,0|2,0,0]=4 15035 B11R0.111 CCC(C)CCNCCC(C)O 2230a_100020591266_100012276601 [0,2,0,0,0,0|1,0,0]=3 15036 B11R0.111 CCC(C)CCOCCC(C)C 7a_100011215188_100000210626 [0,2,0,0,0,0|2,0,0]=4 15037 B11R0.111 CCC(C)CCOCCC(C)O 7a_100011215188_100012276601 [0,2,0,0,0,0|1,0,0]=3 15038 B11R0.111 CCC(C)CNCCCC(C)C 2230a_100020588543_100011214892 [0,2,0,0,0,0|2,0,0]=4 15039 B11R0.111 CCC(C)CNCCCC(C)C 2230a_200000737386_100000748023 [0,2,0,0,0,0|2,0,0]=4 15040 B11R0.111 CCC(C)CNCCCC(C)C 270004a_200000737386_100000243153 [0,2,0,0,0,0|2,0,0]=4 15041 B11R0.111 CCC(C)CNCCCC(C)C 34a_200000737386_100000748023 [0,2,0,0,0,0|2,0,0]=4 15042 B11R0.111 CCC(C)CNCCCC(C)O 2230a_100020588543_200000718107 [0,2,0,0,0,0|1,0,0]=3 15043 B11R0.111 CCC(C)COCCCC(C)C 34a_100000210774_100000748023 [0,2,0,0,0,0|2,0,0]=4 15044 B11R0.111 CCC(C)COCCCC(C)C 7a_100000210774_100000748023 [0,2,0,0,0,0|2,0,0]=4 15045 B11R0.111 CCC(C)CSCCCC(C)C 62a_100000748023_100011214892 [0,2,0,0,0,0|2,0,0]=4 15046 B11R0.111 CCC(C)CSCCCC(C)C 62a_100011214892_100000748023 [0,2,0,0,0,0|2,0,0]=4 15047 B11R0.111 CCC(C)CSCCCC(C)O 62a_100000748023_200000718107 [0,2,0,0,0,0|1,0,0]=3 15048 B11R0.111 CCC(C)CSCCCC(C)O 62a_200000718107_100000748023 [0,2,0,0,0,0|1,0,0]=3 15049 B11R0.111 CCC(C)NCCCCB(O)O 2230a_100000209981_200009817182 [0,2,0,0,0,0|2,0,0]=4 15050 B11R0.111 CCC(C)NCCCCC(C)C 2230a_100000209981_100011216152 [0,2,0,0,0,0|2,0,0]=4 15051 B11R0.111 CCC(C)OCCCCB(O)O 7a_100000210228_200009817182 [0,2,0,0,0,0|2,0,0]=4 15052 B11R0.111 CCC(C)OCCCCC(C)C 34a_100011214890_100011215416 [0,2,0,0,0,0|2,0,0]=4 15053 B11R0.111 CCC(C)OCCCCC(C)C 7a_100000210228_100011216152 [0,2,0,0,0,0|2,0,0]=4 15054 B11R0.111 CCC(C)OCCCCC(C)C 7a_100011214890_100000758301 [0,2,0,0,0,0|2,0,0]=4 15055 B11R0.111 CCC(C)SCCCCB(O)O 62a_100000758301_200009817182 [0,2,0,0,0,0|2,0,0]=4 15056 B11R0.111 CCC(C)SCCCCB(O)O 62a_200009817182_100000758301 [0,2,0,0,0,0|2,0,0]=4 15057 B11R0.111 CCC(C)SCCCCC(C)C 62a_100000758301_100011216152 [0,2,0,0,0,0|2,0,0]=4 15058 B11R0.111 CCC(C)SCCCCC(C)C 62a_100011216152_100000758301 [0,2,0,0,0,0|2,0,0]=4 15059 B11R0.111 CCC(O)CNCCCC(C)C 2230a_100011218483_100011214892 [0,2,0,0,0,0|2,0,0]=4 15060 B11R0.111 CCC(O)CNCCCC(C)C 2230a_200000737386_100011218378 [0,2,0,0,0,0|2,0,0]=4 15061 B11R0.111 CCC(O)CNCCCC(C)C 34a_200000737386_100011218378 [0,2,0,0,0,0|2,0,0]=4 15062 B11R0.111 CCC(O)CNCCCC(C)O 2230a_100011218483_200000718107 [0,2,0,0,0,0|1,0,0]=3 15063 B11R0.111 CCC(O)COCCCC(C)C 34a_100000210774_100011218378 [0,2,0,0,0,0|2,0,0]=4 15064 B11R0.111 CCC(O)COCCCC(C)C 7a_100000210774_100011218378 [0,2,0,0,0,0|2,0,0]=4 15065 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011214892_100011218378 [0,2,0,0,0,0|2,0,0]=4 15066 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011218378_100011214892 [0,2,0,0,0,0|2,0,0]=4 15067 B11R0.111 CCC(O)CSCCCC(C)O 62a_100011218378_200000718107 [0,2,0,0,0,0|1,0,0]=3 15068 B11R0.111 CCC(O)CSCCCC(C)O 62a_200000718107_100011218378 [0,2,0,0,0,0|1,0,0]=3 15069 B11R0.111 CCN(C)CCCCCB(O)O 2230a_100000225621_200009817188 [0,2,0,0,0,0|2,0,0]=4 15070 B11R0.111 CCN(C)CCCCCB(O)O 269982a_100000225621_200009817188 [0,2,0,0,0,0|2,0,0]=4 15071 B11R0.111 CCN(C)CCCCCC(C)C 2230a_100000225621_100000210682 [0,2,0,0,0,0|2,0,0]=4 15072 B11R0.111 CCN(C)CCCCCC(C)C 269982a_100000225621_100000210682 [0,2,0,0,0,0|2,0,0]=4 15073 B11R0.111 CCN(C)CCCNCC(C)O 2230a_100000210904_100015186262 [0,2,0,0,0,0|2,0,0]=4 15074 B11R0.111 CCN(C)CCCSCC(C)O 62a_100011218427_100015186262 [0,2,0,0,0,0|2,0,0]=4 15075 B11R0.111 CCN(C)CCCSC[C@@H](C)O 62a_100009817552_100015186262 [0,2,0,0,0,0|2,0,0]=4 15076 B11R0.111 CC[C@H](C)CNCCCC(C)C 2230a_200000737386_100009816398 [0,2,0,0,0,0|2,0,0]=4 15077 B11R0.111 CC[C@H](C)CNCCCC(C)C 34a_200000737386_100009816398 [0,2,0,0,0,0|2,0,0]=4 15078 B11R0.111 CC[C@H](C)COCCCC(C)C 34a_100000210774_100009816398 [0,2,0,0,0,0|2,0,0]=4 15079 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100000210774_100009816398 [0,2,0,0,0,0|2,0,0]=4 15080 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100009816381_100011214892 [0,2,0,0,0,0|2,0,0]=4 15081 B11R0.111 CC[C@H](C)COCCCC(C)O 7a_100009816381_200000718107 [0,2,0,0,0,0|1,0,0]=3 15082 B11R0.111 CC[C@H](C)CSCCCC(C)C 62a_100009816398_100011214892 [0,2,0,0,0,0|2,0,0]=4 15083 B11R0.111 CC[C@H](C)CSCCCC(C)C 62a_100011214892_100009816398 [0,2,0,0,0,0|2,0,0]=4 15084 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_100009816398_200000718107 [0,2,0,0,0,0|1,0,0]=3 15085 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_200000718107_100009816398 [0,2,0,0,0,0|1,0,0]=3 15086 B11R0.111 CN(C)CCCSCC(O)CO 62a_100011219619_100000757444 [0,2,0,0,0,0|2,0,0]=4 15087 B11R0.111 CN(C)CCCSC[C@@H](O)CO 62a_100009815848_100000757444 [0,2,0,0,0,0|2,0,0]=4 15088 B11R0.111 COC(C)CCOCCC(C)O 7a_100000764861_100012276601 [0,2,0,0,0,0|2,0,0]=4 15089 B11R0.111 COC(C)COCCCC(C)O 34a_100000690652_200000718107 [0,2,0,0,0,0|2,0,0]=4 15090 B11R0.111 CO[C@H](C)CNCCCC(C)O 2230a_100020591295_200000718107 [0,2,0,0,0,0|2,0,0]=4 15091 B11R0.111 CS(=O)CCCNCC(O)CO 2230a_200000753449_100011219619 [0,2,0,0,0,0|2,0,0]=4 15092 B11R0.111 CS(=O)CCCNC[C@@H](O)CO 2230a_200000753449_100009815848 [0,2,0,0,0,0|2,0,0]=4 15093 B11R0.111 C[C@@H](CN)CCCOC[C@@H](C)O 34a_100160569302_100009817552 [0,2,0,0,0,0|2,0,0]=4 15094 B11R0.111 C[C@@H](CO)CNCCCS(=O)C 2230a_200000753449_100000059175 [0,2,0,0,0,0|2,0,0]=4 15095 B11R0.111 C[C@@H](CO)CSCCCN(C)C 62a_100000059175_100000757444 [0,2,0,0,0,0|2,0,0]=4 15096 B11R0.111 C[C@H](CO)SCCCCN(C)C 62a_100016084084_100000690147 [0,2,0,0,0,0|2,0,0]=4 15097 B11R0.147 C=C(C)CNC[C@H](C)CCCO 2230a_100160569302_100000748629 [0,2,0,0,0,0|1,0,1]=4 15098 B11R0.147 C=C(C)CNC[C@H](C)CCCO 34a_100160569302_100000748629 [0,2,0,0,0,0|1,0,1]=4 15099 B11R0.147 CC(=O)CCCN(C)CCCO 269982a_100000213112_100011215641 [0,2,0,0,0,0|1,0,1]=4 15100 B11R0.147 CC(C)CCCC(=O)CCCF 1458a_100011216857_100011934791 [0,2,0,0,0,0|1,0,1]=4 15101 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [0,2,0,0,0,0|0,0,1]=3 15102 B11R0.147 CC(C)CCCC(=O)NCCO 240690a_100000210304_100011216857 [0,2,0,0,0,0|1,0,1]=4 15103 B11R0.147 CC(C)CCCC(=O)NCCO 527a_100000210304_100011216857 [0,2,0,0,0,0|1,0,1]=4 15104 B11R0.147 CC(C)CCCC(C)CCN[13CH3] 2230a_102516457229_200025704644 [0,2,0,0,0,0|2,0,0]=4 15105 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 34a_100000015991_200025704644 [0,2,0,0,0,0|2,0,0]=4 15106 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 7a_100000015991_200025704644 [0,2,0,0,0,0|2,0,0]=4 15107 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_100009816328_200025704644 [0,2,0,0,0,0|2,0,0]=4 15108 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_200025704644_100009816328 [0,2,0,0,0,0|2,0,0]=4 15109 B11R0.147 CC(C)CCCC(C)NCCF 2230a_100000210607_100011217306 [0,2,0,0,0,0|2,0,0]=4 15110 B11R0.147 CC(C)CCCC(C)NCCO 2230a_100000210607_100000211926 [0,2,0,0,0,0|1,0,0]=3 15111 B11R0.147 CC(C)CCCC(C)NCCO 270004a_100000210304_100000753411 [0,2,0,0,0,0|1,0,0]=3 15112 B11R0.147 CC(C)CCCC(C)OCCF 34a_200011218570_100011217306 [0,2,0,0,0,0|2,0,0]=4 15113 B11R0.147 CC(C)CCCC(C)OCCF 7a_200011218570_100011217306 [0,2,0,0,0,0|2,0,0]=4 15114 B11R0.147 CC(C)CCCC(C)OCCO 34a_200011218570_100000211926 [0,2,0,0,0,0|1,0,0]=3 15115 B11R0.147 CC(C)CCCC(C)OCCO 7a_200011218570_100000211926 [0,2,0,0,0,0|1,0,0]=3 15116 B11R0.147 CC(C)CCCN(C)CCCO 2230a_100000213112_100011214892 [0,2,0,0,0,0|1,0,0]=3 15117 B11R0.147 CC(C)CCCN(C)CCCO 269982a_100000213112_100011214892 [0,2,0,0,0,0|1,0,0]=3 15118 B11R0.147 CC(C)CCOC(C)CCCCl 34a_200000718107_100000210312 [0,2,0,0,0,0|2,0,0]=4 15119 B11R0.147 CC(C)CCOC(C)CCCCl 7a_200000718107_100000210626 [0,2,0,0,0,0|2,0,0]=4 15120 B11R0.147 CC(C)CNC[C@H](C)CCCO 2230a_100160569302_100000210760 [0,2,0,0,0,0|1,0,0]=3 15121 B11R0.147 CC(C)CNC[C@H](C)CCCO 270004a_100160569302_100000210432 [0,2,0,0,0,0|1,0,0]=3 15122 B11R0.147 CC(C)CNC[C@H](C)CCCO 34a_100160569302_100000210624 [0,2,0,0,0,0|1,0,0]=3 15123 B11R0.147 CC(C)COCC(=O)CCCO 1458a_100011223364_100011215043 [0,2,0,0,0,0|1,0,1]=4 15124 B11R0.147 CC(C)OCCN(C)CCCO 2230a_100000213112_100000211751 [0,2,0,0,0,0|2,0,0]=4 15125 B11R0.147 CC(C)OCCN(C)CCCO 269982a_100000213112_100000211751 [0,2,0,0,0,0|2,0,0]=4 15126 B11R0.147 CC(C)SCCN(C)CCCO 2230a_100000213112_100000730970 [0,2,0,0,0,0|2,0,0]=4 15127 B11R0.147 CC(C)SCCN(C)CCCO 269982a_100000213112_100000730970 [0,2,0,0,0,0|2,0,0]=4 15128 B11R0.147 CC(CCOC(C)C)NCCO 270004a_100000210304_200011219172 [0,2,0,0,0,0|2,0,0]=4 15129 B11R0.147 CC(O)CCCC(=O)NCCO 527a_100000210304_100000761597 [0,2,0,0,0,0|1,0,1]=4 15130 B11R0.147 CC(O)CCCN(C)CCCO 2230a_100000213112_200000718107 [0,2,0,0,0,0|1,0,0]=3 15131 B11R0.147 CC(O)CCCN(C)CCCO 269982a_100000213112_200000718107 [0,2,0,0,0,0|1,0,0]=3 15132 B11R0.147 CC(O)CCOC(C)CCCCl 34a_200000718107_100012276601 [0,2,0,0,0,0|2,0,0]=4 15133 B11R0.147 CC(O)CCOC(C)CCCCl 7a_200000718107_100012276601 [0,2,0,0,0,0|2,0,0]=4 15134 B11R0.147 CC(O)CNC[C@H](C)CCCO 2230a_100160569302_100011218427 [0,2,0,0,0,0|1,0,0]=3 15135 B11R0.147 CC(O)CNC[C@H](C)CCCO 34a_100160569302_100011218427 [0,2,0,0,0,0|1,0,0]=3 15136 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [0,2,0,0,0,0|1,0,1]=4 15137 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [0,2,0,0,0,0|1,0,1]=4 15138 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [0,2,0,0,0,0|0,0,1]=3 15139 B11R0.147 CCCCC(=O)NCCC(C)O 240690a_200000755665_100000210183 [0,2,0,0,0,0|1,0,1]=4 15140 B11R0.147 CCCCC(=O)NCCC(C)O 527a_200000755665_100000210183 [0,2,0,0,0,0|1,0,1]=4 15141 B11R0.147 CCCCC(C)COCC(C)C 34a_100011995851_100000210624 [0,2,0,0,0,0|2,0,0]=4 15142 B11R0.147 CCCCC(C)COCC(C)C 7a_100011995851_100000210760 [0,2,0,0,0,0|2,0,0]=4 15143 B11R0.147 CCCCC(C)COCC(C)O 34a_100011995851_100011218427 [0,2,0,0,0,0|1,0,0]=3 15144 B11R0.147 CCCCC(C)COCC(C)O 7a_100011995851_100011218427 [0,2,0,0,0,0|1,0,0]=3 15145 B11R0.147 CCCCC(C)COCC(F)F 34a_100011995851_100011934356 [0,2,0,0,0,0|2,0,0]=4 15146 B11R0.147 CCCCC(C)COCC(F)F 7a_100011995851_100011934356 [0,2,0,0,0,0|2,0,0]=4 15147 B11R0.147 CCCCC(C)COC[C@@H](C)O 34a_100011995851_100009817552 [0,2,0,0,0,0|1,0,0]=3 15148 B11R0.147 CCCCC(C)COC[C@@H](C)O 7a_100011995851_100009817552 [0,2,0,0,0,0|1,0,0]=3 15149 B11R0.147 CCCCC(C)NCCC(C)C 2230a_100000126638_100000210312 [0,2,0,0,0,0|2,0,0]=4 15150 B11R0.147 CCCCC(C)NCCC(C)C 269862a_100000126638_100000185833 [0,2,0,0,0,0|2,0,0]=4 15151 B11R0.147 CCCCC(C)NCCC(C)C 270004a_100000210545_100000210087 [0,2,0,0,0,0|2,0,0]=4 15152 B11R0.147 CCCCC(C)NCCC(C)O 2230a_100000126638_100012276601 [0,2,0,0,0,0|1,0,0]=3 15153 B11R0.147 CCCCC(C)NCCC(C)O 2230a_200000755665_200011215066 [0,2,0,0,0,0|1,0,0]=3 15154 B11R0.147 CCCCC(C)NCCC(C)O 270004a_200000755665_100000210087 [0,2,0,0,0,0|1,0,0]=3 15155 B11R0.147 CCCCC(C)OCCC(C)Br 34a_100009893172_200011215066 [0,2,0,0,0,0|2,0,0]=4 15156 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000210254_200011215066 [0,2,0,0,0,0|2,0,0]=4 15157 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000687866_100000210312 [0,2,0,0,0,0|2,0,0]=4 15158 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000210254_200011215066 [0,2,0,0,0,0|2,0,0]=4 15159 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000687866_100000210626 [0,2,0,0,0,0|2,0,0]=4 15160 B11R0.147 CCCCC(C)OCCC(C)O 34a_100000687866_100012276601 [0,2,0,0,0,0|1,0,0]=3 15161 B11R0.147 CCCCC(C)OCCC(C)O 7a_100000687866_100012276601 [0,2,0,0,0,0|1,0,0]=3 15162 B11R0.147 CCCCC(C)OCCC(F)F 34a_100103093639_200011215066 [0,2,0,0,0,0|2,0,0]=4 15163 B11R0.147 CCCCC(C)OCC[C@@H](C)N 34a_100000706166_200011215066 [0,2,0,0,0,0|2,0,0]=4 15164 B11R0.147 CCCCC(C)SCCC(C)C 62a_100000210312_200011215066 [0,2,0,0,0,0|2,0,0]=4 15165 B11R0.147 CCCCC(C)SCCC(C)C 62a_200011215066_100000210312 [0,2,0,0,0,0|2,0,0]=4 15166 B11R0.147 CCCCC(C)SCCC(C)O 62a_100012276601_200011215066 [0,2,0,0,0,0|1,0,0]=3 15167 B11R0.147 CCCCC(C)SCCC(C)O 62a_200011215066_100012276601 [0,2,0,0,0,0|1,0,0]=3 15168 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [0,2,0,0,0,0|1,0,1]=4 15169 B11R0.147 CCCCN(C)CCCC(C)C 2230a_100000207549_100011214892 [0,2,0,0,0,0|2,0,0]=4 15170 B11R0.147 CCCCN(C)CCCC(C)C 269982a_100000207549_100011214892 [0,2,0,0,0,0|2,0,0]=4 15171 B11R0.147 CCCCN(C)CCCC(C)O 2230a_100000207549_200000718107 [0,2,0,0,0,0|1,0,0]=3 15172 B11R0.147 CCCCN(C)CCCC(C)O 269982a_100000207549_200000718107 [0,2,0,0,0,0|1,0,0]=3 15173 B11R0.147 CCCC[C@H](N)COCC(C)C 34a_100011934283_100000210624 [0,2,0,0,0,0|2,0,0]=4 15174 B11R0.147 CCCC[C@H](N)COCC(C)O 34a_100011934283_100011218427 [0,2,0,0,0,0|1,0,0]=3 15175 B11R0.147 CCCC[C@H](N)COCC(F)F 34a_100011934283_100011934356 [0,2,0,0,0,0|2,0,0]=4 15176 B11R0.147 CCCC[C@H](N)COC[C@@H](C)O 34a_100011934283_100009817552 [0,2,0,0,0,0|1,0,0]=3 15177 B11R0.147 CCCNC(=O)CCCC(C)O 1626a_100020643023_100000761597 [0,2,0,0,0,0|1,0,1]=4 15178 B11R0.147 CCCNC(=O)CCCC(C)O 527a_100020643023_100000761597 [0,2,0,0,0,0|1,0,1]=4 15179 B11R0.147 CCCNC(C)CCCC(C)C 2230a_100000210607_100000210303 [0,2,0,0,0,0|2,0,0]=4 15180 B11R0.147 CCCNC(C)CCCC(C)C 270004a_100020643023_100000753411 [0,2,0,0,0,0|2,0,0]=4 15181 B11R0.147 CCCOC(C)CCCC(C)C 34a_200011218570_100000210303 [0,2,0,0,0,0|2,0,0]=4 15182 B11R0.147 CCCOC(C)CCCC(C)C 7a_200011218570_100000210303 [0,2,0,0,0,0|2,0,0]=4 15183 B11R0.147 CCCOC(C)CNCC(C)O 2230a_100015185124_100011218427 [0,2,0,0,0,0|2,0,0]=4 15184 B11R0.147 CCCOC(C)CNCC(C)O 34a_100015185124_100011218427 [0,2,0,0,0,0|2,0,0]=4 15185 B11R0.147 CCCOC(C)CNC[C@@H](C)O 2230a_100015185124_100009817552 [0,2,0,0,0,0|2,0,0]=4 15186 B11R0.147 CCCOC(C)CNC[C@@H](C)O 34a_100015185124_100009817552 [0,2,0,0,0,0|2,0,0]=4 15187 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [0,2,0,0,0,0|1,0,1]=4 15188 B11R0.147 CCOCC(C)OCCC(C)O 34a_100000718985_100012276601 [0,2,0,0,0,0|2,0,0]=4 15189 B11R0.147 CCOCC(C)OCCC(C)O 7a_100000718985_100012276601 [0,2,0,0,0,0|2,0,0]=4 15190 B11R0.147 CCOCC(O)CNCC(C)O 2230a_102515437182_100011218427 [0,2,0,0,0,0|2,0,0]=4 15191 B11R0.147 CCOCC(O)CNCC(C)O 34a_102515437182_100011218427 [0,2,0,0,0,0|2,0,0]=4 15192 B11R0.147 CCOCC(O)CNC[C@@H](C)O 2230a_102515437182_100009817552 [0,2,0,0,0,0|2,0,0]=4 15193 B11R0.147 CCOCC(O)CNC[C@@H](C)O 34a_102515437182_100009817552 [0,2,0,0,0,0|2,0,0]=4 15194 B11R0.147 CCSCC(=O)CCCC(C)O 1458a_100000230394_200000718107 [0,2,0,0,0,0|1,0,1]=4 15195 B11R0.147 CCSCC(C)NCCC(C)O 270004a_200000755665_200011216171 [0,2,0,0,0,0|2,0,0]=4 15196 B11R0.147 CN(C)CCCN(C)CCCO 269982a_100000213112_100000757444 [0,2,0,0,0,0|2,0,0]=4 15197 B11R0.147 CN(C)CCCN(C)CCCO 269982a_100000225831_100011215043 [0,2,0,0,0,0|2,0,0]=4 15198 B11R0.147 CNCCC(C)CCCC(C)C 2230a_102516457229_200000210301 [0,2,0,0,0,0|2,0,0]=4 15199 B11R0.147 CNCCC(C)CCCC(C)C 2230a_106832991635_100009816328 [0,2,0,0,0,0|2,0,0]=4 15200 B11R0.147 CNCCC(C)CCCC(C)C 34a_100102657272_100009816328 [0,2,0,0,0,0|2,0,0]=4 15201 B11R0.147 CNCCC(C)CCCC(C)C 7a_106832991635_100009816328 [0,2,0,0,0,0|2,0,0]=4 15202 B11R0.147 COCCC(=O)CCCC(C)O 1458a_100000749529_200000718107 [0,2,0,0,0,0|1,0,1]=4 15203 B11R0.147 COCCC(C)CCCC(C)C 34a_100000015991_200000210301 [0,2,0,0,0,0|2,0,0]=4 15204 B11R0.147 COCCC(C)CCCC(C)C 34a_100138415774_100009816328 [0,2,0,0,0,0|2,0,0]=4 15205 B11R0.147 COCCC(C)CCCC(C)C 7a_100000015991_200000210301 [0,2,0,0,0,0|2,0,0]=4 15206 B11R0.147 COCCC(C)NCCC(C)O 270004a_200000755665_100000742357 [0,2,0,0,0,0|2,0,0]=4 15207 B11R0.147 COCCN(C)CCCC(C)O 2230a_100000743101_200000718107 [0,2,0,0,0,0|2,0,0]=4 15208 B11R0.147 COCCN(C)CCCC(C)O 269982a_100000743101_200000718107 [0,2,0,0,0,0|2,0,0]=4 15209 B11R0.147 CSCCC(=O)CCCC(C)O 1458a_100000174002_200000718107 [0,2,0,0,0,0|1,0,1]=4 15210 B11R0.147 CSCCC(C)CCCC(C)C 62a_100009816328_200000210301 [0,2,0,0,0,0|2,0,0]=4 15211 B11R0.147 CSCCC(C)CCCC(C)C 62a_200000210301_100009816328 [0,2,0,0,0,0|2,0,0]=4 15212 B11R0.147 CSCCC(C)NCCC(C)O 270004a_200000755665_100011217047 [0,2,0,0,0,0|2,0,0]=4 15213 B11R0.147 CSCCN(C)CCCC(C)O 2230a_100000686725_200000718107 [0,2,0,0,0,0|2,0,0]=4 15214 B11R0.147 CSCCN(C)CCCC(C)O 269982a_100000686725_200000718107 [0,2,0,0,0,0|2,0,0]=4 15215 B11R0.147 CSCC[C@H](N)COCC(C)O 34a_100011827619_100011218427 [0,2,0,0,0,0|2,0,0]=4 15216 B11R0.147 CSCC[C@H](N)COC[C@@H](C)O 34a_100011827619_100009817552 [0,2,0,0,0,0|2,0,0]=4 15217 B11R0.147 C[C@H](CCCO)CNCC(F)F 2230a_100160569302_100011934356 [0,2,0,0,0,0|2,0,0]=4 15218 B11R0.147 C[C@H](CCCO)CNCC(F)F 34a_100160569302_100011934356 [0,2,0,0,0,0|2,0,0]=4 15219 B11R0.147 C[C@H](CCCO)CNC[C@@H](C)O 2230a_100160569302_100009817552 [0,2,0,0,0,0|1,0,0]=3 15220 B11R0.147 C[C@H](CCCO)CNC[C@@H](C)O 34a_100160569302_100009817552 [0,2,0,0,0,0|1,0,0]=3 15221 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,2,0,0,0,0|1,0,1]=4 15222 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,2,0,0,0,0|1,0,1]=4 15223 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,2,0,0,0,0|1,0,1]=4 15224 B11R0.148 C#CCCCCCCCN(C)C 2230a_100102631434_100153394163 [0,2,0,0,0,0|1,0,1]=4 15225 B11R0.148 C#CCCCCCCCN(C)C 269982a_100102631434_100153394163 [0,2,0,0,0,0|1,0,1]=4 15226 B11R0.148 C#CCCCCCCNC(C)C 2230a_100138425928_100012276617 [0,2,0,0,0,0|1,0,1]=4 15227 B11R0.148 C#CCCCCCCNC(C)C 34a_100138425928_100012276617 [0,2,0,0,0,0|1,0,1]=4 15228 B11R0.148 C#CCCCCCCOC(C)C 34a_100000212225_100012276617 [0,2,0,0,0,0|1,0,1]=4 15229 B11R0.148 C#CCCCCCCOC(C)C 34a_100011217361_100000210206 [0,2,0,0,0,0|1,0,1]=4 15230 B11R0.148 C#CCCCCCCOC(C)C 7a_100011217361_100000210206 [0,2,0,0,0,0|1,0,1]=4 15231 B11R0.148 C#CCCCCCCSC(C)C 62a_100000210206_100012276617 [0,2,0,0,0,0|1,0,1]=4 15232 B11R0.148 C#CCCCCCCSC(C)C 62a_100012276617_100000210206 [0,2,0,0,0,0|1,0,1]=4 15233 B11R0.148 C#CCCCCCNCC(C)C 2230a_100000210953_100012094781 [0,2,0,0,0,0|1,0,1]=4 15234 B11R0.148 C#CCCCCCNCC(C)C 34a_100000210953_100012094781 [0,2,0,0,0,0|1,0,1]=4 15235 B11R0.148 C#CCCCCCNCC(C)O 2230a_100000210904_100012094781 [0,2,0,0,0,0|0,0,2]=4 15236 B11R0.148 C#CCCCCCNCC(C)O 34a_100000210904_100012094781 [0,2,0,0,0,0|0,0,2]=4 15237 B11R0.148 C#CCCCCCOCC(C)Br 34a_100012180447_100012094781 [0,2,0,0,0,0|1,0,1]=4 15238 B11R0.148 C#CCCCCCOCC(C)C 34a_100000210257_100012094781 [0,2,0,0,0,0|1,0,1]=4 15239 B11R0.148 C#CCCCCCOCC(C)C 34a_100000766912_100000210624 [0,2,0,0,0,0|1,0,1]=4 15240 B11R0.148 C#CCCCCCOCC(C)C 7a_100000766912_100000210760 [0,2,0,0,0,0|1,0,1]=4 15241 B11R0.148 C#CCCCCCOCC(C)F 34a_100015925927_100012094781 [0,2,0,0,0,0|1,0,1]=4 15242 B11R0.148 C#CCCCCCOCC(C)O 34a_100000766912_100011218427 [0,2,0,0,0,0|0,0,2]=4 15243 B11R0.148 C#CCCCCCOCC(C)O 7a_100000766912_100011218427 [0,2,0,0,0,0|0,0,2]=4 15244 B11R0.148 C#CCCCCCOC[C@@H](C)Cl 34a_100016084084_100012094781 [0,2,0,0,0,0|1,0,1]=4 15245 B11R0.148 C#CCCCCCOC[C@@H](C)N 34a_100000737577_100012094781 [0,2,0,0,0,0|1,0,1]=4 15246 B11R0.148 C#CCCCCCOC[C@@H](C)O 34a_100000766912_100009817552 [0,2,0,0,0,0|0,0,2]=4 15247 B11R0.148 C#CCCCCCOC[C@@H](C)O 7a_100000766912_100009817552 [0,2,0,0,0,0|0,0,2]=4 15248 B11R0.148 C#CCCCCCSCC(C)C 62a_100000210624_100012094781 [0,2,0,0,0,0|1,0,1]=4 15249 B11R0.148 C#CCCCCCSCC(C)C 62a_100012094781_100000210760 [0,2,0,0,0,0|1,0,1]=4 15250 B11R0.148 C#CCCCCCSCC(C)O 62a_100011218427_100012094781 [0,2,0,0,0,0|0,0,2]=4 15251 B11R0.148 C#CCCCCCSCC(C)O 62a_100012094781_100011218427 [0,2,0,0,0,0|0,0,2]=4 15252 B11R0.148 C#CCCCCCSC[C@@H](C)O 62a_100009817552_100012094781 [0,2,0,0,0,0|0,0,2]=4 15253 B11R0.148 C#CCCCCCSC[C@@H](C)O 62a_100012094781_100009817552 [0,2,0,0,0,0|0,0,2]=4 15254 B11R0.148 C#CCCCCNCCC(C)C 2230a_100000706060_100000210312 [0,2,0,0,0,0|1,0,1]=4 15255 B11R0.148 C#CCCCCNCCC(C)C 34a_100000706060_100000210312 [0,2,0,0,0,0|1,0,1]=4 15256 B11R0.148 C#CCCCCNCCC(C)O 2230a_100000706060_100012276601 [0,2,0,0,0,0|0,0,2]=4 15257 B11R0.148 C#CCCCCNCCC(C)O 2230a_200000755665_100010269958 [0,2,0,0,0,0|0,0,2]=4 15258 B11R0.148 C#CCCCCNCCC(C)O 34a_100000706060_100012276601 [0,2,0,0,0,0|0,0,2]=4 15259 B11R0.148 C#CCCCCOCCC(C)Br 34a_100009893172_100010269958 [0,2,0,0,0,0|1,0,1]=4 15260 B11R0.148 C#CCCCCOCCC(C)C 34a_100000210254_100010269958 [0,2,0,0,0,0|1,0,1]=4 15261 B11R0.148 C#CCCCCOCCC(C)C 34a_100000766709_100000210312 [0,2,0,0,0,0|1,0,1]=4 15262 B11R0.148 C#CCCCCOCCC(C)C 7a_100000210254_100010269958 [0,2,0,0,0,0|1,0,1]=4 15263 B11R0.148 C#CCCCCOCCC(C)C 7a_100000766709_100000210626 [0,2,0,0,0,0|1,0,1]=4 15264 B11R0.148 C#CCCCCOCCC(C)O 34a_100000766709_100012276601 [0,2,0,0,0,0|0,0,2]=4 15265 B11R0.148 C#CCCCCOCCC(C)O 7a_100000766709_100012276601 [0,2,0,0,0,0|0,0,2]=4 15266 B11R0.148 C#CCCCCOCC[C@@H](C)N 34a_100000706166_100010269958 [0,2,0,0,0,0|1,0,1]=4 15267 B11R0.148 C#CCCCCSCCC(C)C 62a_100000210312_100010269958 [0,2,0,0,0,0|1,0,1]=4 15268 B11R0.148 C#CCCCCSCCC(C)C 62a_100010269958_100000210312 [0,2,0,0,0,0|1,0,1]=4 15269 B11R0.148 C#CCCCCSCCC(C)O 62a_100010269958_100012276601 [0,2,0,0,0,0|0,0,2]=4 15270 B11R0.148 C#CCCCCSCCC(C)O 62a_100012276601_100010269958 [0,2,0,0,0,0|0,0,2]=4 15271 B11R0.148 C#CCCCNCCCC(C)C 2230a_200000737386_100000731252 [0,2,0,0,0,0|1,0,1]=4 15272 B11R0.148 C#CCCCNCCCC(C)C 34a_100000718082_100011214892 [0,2,0,0,0,0|1,0,1]=4 15273 B11R0.148 C#CCCCNCCCC(C)C 34a_200000737386_100000695029 [0,2,0,0,0,0|1,0,1]=4 15274 B11R0.148 C#CCCCNCCCC(C)O 34a_100000718082_200000718107 [0,2,0,0,0,0|0,0,2]=4 15275 B11R0.148 C#CCCCOCCCC(C)C 34a_100000210774_100000695029 [0,2,0,0,0,0|1,0,1]=4 15276 B11R0.148 C#CCCCOCCCC(C)C 34a_100000215630_100011214892 [0,2,0,0,0,0|1,0,1]=4 15277 B11R0.148 C#CCCCOCCCC(C)C 7a_100000210774_100011215417 [0,2,0,0,0,0|1,0,1]=4 15278 B11R0.148 C#CCCCOCCCC(C)C 7a_100000215630_100011214892 [0,2,0,0,0,0|1,0,1]=4 15279 B11R0.148 C#CCCCOCCCC(C)O 34a_100000215630_200000718107 [0,2,0,0,0,0|0,0,2]=4 15280 B11R0.148 C#CCCCOCCCC(C)O 7a_100000215630_200000718107 [0,2,0,0,0,0|0,0,2]=4 15281 B11R0.148 C#CCCCSCCCC(C)C 62a_100011214892_100011215417 [0,2,0,0,0,0|1,0,1]=4 15282 B11R0.148 C#CCCCSCCCC(C)C 62a_100011215417_100011214892 [0,2,0,0,0,0|1,0,1]=4 15283 B11R0.148 C#CCCCSCCCC(C)O 62a_100011215417_200000718107 [0,2,0,0,0,0|0,0,2]=4 15284 B11R0.148 C#CCCCSCCCC(C)O 62a_200000718107_100011215417 [0,2,0,0,0,0|0,0,2]=4 15285 B11R0.148 C#CCCNCCCCC(C)C 34a_100000755551_100011216152 [0,2,0,0,0,0|1,0,1]=4 15286 B11R0.148 C#CCCOCCCCC(C)C 34a_100011214890_100000688953 [0,2,0,0,0,0|1,0,1]=4 15287 B11R0.148 C#CCCOCCCCC(C)C 34a_100011215631_100011216152 [0,2,0,0,0,0|1,0,1]=4 15288 B11R0.148 C#CCCOCCCCC(C)C 7a_100011214890_100000688953 [0,2,0,0,0,0|1,0,1]=4 15289 B11R0.148 C#CCCSCCCCC(C)C 62a_100000688953_100011216152 [0,2,0,0,0,0|1,0,1]=4 15290 B11R0.148 C#CCCSCCCCC(C)C 62a_100011216152_100000688953 [0,2,0,0,0,0|1,0,1]=4 15291 B11R0.148 C#CCNCCCCCC(C)C 2230a_100011290863_100000038162 [0,2,0,0,0,0|1,0,1]=4 15292 B11R0.148 C#CCNCCCCCC(C)C 34a_100000212058_100000210682 [0,2,0,0,0,0|1,0,1]=4 15293 B11R0.148 C#CCNCCCCCC(C)C 34a_100011290863_100000184674 [0,2,0,0,0,0|1,0,1]=4 15294 B11R0.148 C#CCOCCCCCC(C)C 34a_100000210247_100000210682 [0,2,0,0,0,0|1,0,1]=4 15295 B11R0.148 C#CCOCCCCCC(C)C 34a_100011995859_100000184674 [0,2,0,0,0,0|1,0,1]=4 15296 B11R0.148 C#CCOCCCCCC(C)C 7a_100011995859_100000038162 [0,2,0,0,0,0|1,0,1]=4 15297 B11R0.148 C#CCSCCCCCC(C)C 62a_100000038162_100000210682 [0,2,0,0,0,0|1,0,1]=4 15298 B11R0.148 C/C=C/CCOCCCC(C)O 34a_100016278192_200000718107 [0,2,0,0,0,0|0,0,2]=4 15299 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,2,0,0,0,0|1,0,1]=4 15300 B11R0.148 C=C(Br)CCOCCCCCO 34a_100009813270_100000746330 [0,2,0,0,0,0|0,0,2]=4 15301 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,2,0,0,0,0|1,0,1]=4 15302 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [0,2,0,0,0,0|0,0,1]=3 15303 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [0,2,0,0,0,0|0,0,1]=3 15304 B11R0.148 C=C(C)CCNCCOCCO 2230a_100000211614_100000730704 [0,2,0,0,0,0|1,0,1]=4 15305 B11R0.148 C=C(C)CCNCCOCCO 34a_100000211614_100000730704 [0,2,0,0,0,0|1,0,1]=4 15306 B11R0.148 C=C(C)CCNCCSCCO 2230a_100011219999_100000730704 [0,2,0,0,0,0|1,0,1]=4 15307 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [0,2,0,0,0,0|1,0,1]=4 15308 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [0,2,0,0,0,0|1,0,1]=4 15309 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,2,0,0,0,0|1,0,1]=4 15310 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,2,0,0,0,0|1,0,1]=4 15311 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,2,0,0,0,0|1,0,1]=4 15312 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [0,2,0,0,0,0|1,0,1]=4 15313 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [0,2,0,0,0,0|1,0,1]=4 15314 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [0,2,0,0,0,0|1,0,1]=4 15315 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [0,2,0,0,0,0|1,0,1]=4 15316 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [0,2,0,0,0,0|1,0,1]=4 15317 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [0,2,0,0,0,0|1,0,1]=4 15318 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,2,0,0,0,0|0,0,1]=3 15319 B11R0.148 C=C(C)CCOCCCCOC 34a_100000740925_100000730704 [0,2,0,0,0,0|1,0,1]=4 15320 B11R0.148 C=C(C)CCOCCCCOC 34a_100000764851_100000755781 [0,2,0,0,0,0|1,0,1]=4 15321 B11R0.148 C=C(C)CCOCCOCCO 34a_100000764851_100000692535 [0,2,0,0,0,0|1,0,1]=4 15322 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,2,0,0,0,0|1,0,1]=4 15323 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,2,0,0,0,0|1,0,1]=4 15324 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [0,2,0,0,0,0|1,0,1]=4 15325 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [0,2,0,0,0,0|1,0,1]=4 15326 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [0,2,0,0,0,0|0,0,1]=3 15327 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [0,2,0,0,0,0|0,0,1]=3 15328 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730704_100000730899 [0,2,0,0,0,0|1,0,1]=4 15329 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730899_100000730704 [0,2,0,0,0,0|1,0,1]=4 15330 B11R0.148 C=C(C)CCSCCOCCO 62a_100000730704_100011215305 [0,2,0,0,0,0|1,0,1]=4 15331 B11R0.148 C=C(C)CCSCCOCCO 62a_100011215305_100000730704 [0,2,0,0,0,0|1,0,1]=4 15332 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,2,0,0,0,0|1,0,1]=4 15333 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,2,0,0,0,0|0,0,1]=3 15334 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,2,0,0,0,0|0,0,1]=3 15335 B11R0.148 C=C(C)CNCCCCCOC 2230a_100000747528_100000748629 [0,2,0,0,0,0|1,0,1]=4 15336 B11R0.148 C=C(C)CNCCCCCOC 34a_100000747528_100000748629 [0,2,0,0,0,0|1,0,1]=4 15337 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [0,2,0,0,0,0|1,0,1]=4 15338 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [0,2,0,0,0,0|1,0,1]=4 15339 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,2,0,0,0,0|1,0,1]=4 15340 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,2,0,0,0,0|1,0,1]=4 15341 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,2,0,0,0,0|1,0,1]=4 15342 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [0,2,0,0,0,0|1,0,1]=4 15343 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [0,2,0,0,0,0|1,0,1]=4 15344 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [0,2,0,0,0,0|1,0,1]=4 15345 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [0,2,0,0,0,0|1,0,1]=4 15346 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [0,2,0,0,0,0|1,0,1]=4 15347 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [0,2,0,0,0,0|1,0,1]=4 15348 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [0,2,0,0,0,0|0,0,1]=3 15349 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,2,0,0,0,0|1,0,1]=4 15350 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,2,0,0,0,0|1,0,1]=4 15351 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [0,2,0,0,0,0|1,0,1]=4 15352 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [0,2,0,0,0,0|1,0,1]=4 15353 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [0,2,0,0,0,0|0,0,1]=3 15354 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [0,2,0,0,0,0|0,0,1]=3 15355 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,2,0,0,0,0|1,0,1]=4 15356 B11R0.148 C=C(F)CNCCCCCCO 2230a_100000686447_100009893438 [0,2,0,0,0,0|0,0,2]=4 15357 B11R0.148 C=C(F)CNCCCCCCO 34a_100000686447_100009893438 [0,2,0,0,0,0|0,0,2]=4 15358 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [0,2,0,0,0,0|1,0,1]=4 15359 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [0,2,0,0,0,0|1,0,1]=4 15360 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [0,2,0,0,0,0|1,0,1]=4 15361 B11R0.148 C=C(F)COCCCCCCO 34a_200010262243_100000766143 [0,2,0,0,0,0|0,0,2]=4 15362 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [0,2,0,0,0,0|1,0,1]=4 15363 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [0,2,0,0,0,0|1,0,1]=4 15364 B11R0.148 C=C(F)CSCCCCCCO 62a_100000042424_100000766143 [0,2,0,0,0,0|0,0,2]=4 15365 B11R0.148 C=C(F)CSCCCCCCO 62a_100000766143_100000042424 [0,2,0,0,0,0|0,0,2]=4 15366 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,2,0,0,0,0|1,0,1]=4 15367 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,2,0,0,0,0|1,0,1]=4 15368 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,2,0,0,0,0|1,0,1]=4 15369 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [0,2,0,0,0,0|1,0,1]=4 15370 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [0,2,0,0,0,0|1,0,1]=4 15371 B11R0.148 C=CCCCCCCNC(C)C 2230a_100138425928_100011215473 [0,2,0,0,0,0|1,0,1]=4 15372 B11R0.148 C=CCCCCCCNC(C)C 34a_100138425928_100011215473 [0,2,0,0,0,0|1,0,1]=4 15373 B11R0.148 C=CCCCCCCOC(C)C 34a_100000212225_100011215473 [0,2,0,0,0,0|1,0,1]=4 15374 B11R0.148 C=CCCCCCCOC(C)C 34a_200011216477_100000210206 [0,2,0,0,0,0|1,0,1]=4 15375 B11R0.148 C=CCCCCCCOC(C)C 7a_200011216477_100000210206 [0,2,0,0,0,0|1,0,1]=4 15376 B11R0.148 C=CCCCCCCSC(C)C 62a_100000210206_100011215473 [0,2,0,0,0,0|1,0,1]=4 15377 B11R0.148 C=CCCCCCCSC(C)C 62a_100011215473_100000210206 [0,2,0,0,0,0|1,0,1]=4 15378 B11R0.148 C=CCCCCCNCC(C)C 2230a_100000210953_100000700193 [0,2,0,0,0,0|1,0,1]=4 15379 B11R0.148 C=CCCCCCNCC(C)C 34a_100000210953_100000700193 [0,2,0,0,0,0|1,0,1]=4 15380 B11R0.148 C=CCCCCCNCC(C)O 2230a_100000210904_100000700193 [0,2,0,0,0,0|0,0,2]=4 15381 B11R0.148 C=CCCCCCNCC(C)O 34a_100000210904_100000700193 [0,2,0,0,0,0|0,0,2]=4 15382 B11R0.148 C=CCCCCCOCC(C)Br 34a_100012180447_100000700193 [0,2,0,0,0,0|1,0,1]=4 15383 B11R0.148 C=CCCCCCOCC(C)C 34a_100000210257_100000700193 [0,2,0,0,0,0|1,0,1]=4 15384 B11R0.148 C=CCCCCCOCC(C)C 34a_100011216702_100000210624 [0,2,0,0,0,0|1,0,1]=4 15385 B11R0.148 C=CCCCCCOCC(C)C 7a_100011216702_100000210760 [0,2,0,0,0,0|1,0,1]=4 15386 B11R0.148 C=CCCCCCOCC(C)F 34a_100015925927_100000700193 [0,2,0,0,0,0|1,0,1]=4 15387 B11R0.148 C=CCCCCCOCC(C)O 34a_100011216702_100011218427 [0,2,0,0,0,0|0,0,2]=4 15388 B11R0.148 C=CCCCCCOCC(C)O 7a_100011216702_100011218427 [0,2,0,0,0,0|0,0,2]=4 15389 B11R0.148 C=CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000700193 [0,2,0,0,0,0|1,0,1]=4 15390 B11R0.148 C=CCCCCCOC[C@@H](C)N 34a_100000737577_100000700193 [0,2,0,0,0,0|1,0,1]=4 15391 B11R0.148 C=CCCCCCOC[C@@H](C)O 34a_100011216702_100009817552 [0,2,0,0,0,0|0,0,2]=4 15392 B11R0.148 C=CCCCCCOC[C@@H](C)O 7a_100011216702_100009817552 [0,2,0,0,0,0|0,0,2]=4 15393 B11R0.148 C=CCCCCCSCC(C)C 62a_100000210624_100000700193 [0,2,0,0,0,0|1,0,1]=4 15394 B11R0.148 C=CCCCCCSCC(C)C 62a_100000700193_100000210760 [0,2,0,0,0,0|1,0,1]=4 15395 B11R0.148 C=CCCCCCSCC(C)O 62a_100000700193_100011218427 [0,2,0,0,0,0|0,0,2]=4 15396 B11R0.148 C=CCCCCCSCC(C)O 62a_100011218427_100000700193 [0,2,0,0,0,0|0,0,2]=4 15397 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100000700193_100009817552 [0,2,0,0,0,0|0,0,2]=4 15398 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100009817552_100000700193 [0,2,0,0,0,0|0,0,2]=4 15399 B11R0.148 C=CCCCCNCCC(C)C 2230a_100000703577_100000210312 [0,2,0,0,0,0|1,0,1]=4 15400 B11R0.148 C=CCCCCNCCC(C)C 269862a_100000703577_100000185833 [0,2,0,0,0,0|1,0,1]=4 15401 B11R0.148 C=CCCCCNCCC(C)C 34a_100000703577_100000210312 [0,2,0,0,0,0|1,0,1]=4 15402 B11R0.148 C=CCCCCNCCC(C)O 2230a_100000703577_100012276601 [0,2,0,0,0,0|0,0,2]=4 15403 B11R0.148 C=CCCCCNCCC(C)O 2230a_200000755665_100011215482 [0,2,0,0,0,0|0,0,2]=4 15404 B11R0.148 C=CCCCCNCCC(C)O 34a_100000703577_100012276601 [0,2,0,0,0,0|0,0,2]=4 15405 B11R0.148 C=CCCCCOCCC(C)Br 34a_100009893172_100011215482 [0,2,0,0,0,0|1,0,1]=4 15406 B11R0.148 C=CCCCCOCCC(C)C 34a_100000210254_100011215482 [0,2,0,0,0,0|1,0,1]=4 15407 B11R0.148 C=CCCCCOCCC(C)C 34a_100000766645_100000210312 [0,2,0,0,0,0|1,0,1]=4 15408 B11R0.148 C=CCCCCOCCC(C)C 7a_100000210254_100011215482 [0,2,0,0,0,0|1,0,1]=4 15409 B11R0.148 C=CCCCCOCCC(C)C 7a_100000766645_100000210626 [0,2,0,0,0,0|1,0,1]=4 15410 B11R0.148 C=CCCCCOCCC(C)O 34a_100000766645_100012276601 [0,2,0,0,0,0|0,0,2]=4 15411 B11R0.148 C=CCCCCOCCC(C)O 7a_100000766645_100012276601 [0,2,0,0,0,0|0,0,2]=4 15412 B11R0.148 C=CCCCCOCC[C@@H](C)N 34a_100000706166_100011215482 [0,2,0,0,0,0|1,0,1]=4 15413 B11R0.148 C=CCCCCSCCC(C)C 62a_100000210312_100011215482 [0,2,0,0,0,0|1,0,1]=4 15414 B11R0.148 C=CCCCCSCCC(C)C 62a_100011215482_100000210312 [0,2,0,0,0,0|1,0,1]=4 15415 B11R0.148 C=CCCCCSCCC(C)O 62a_100011215482_100012276601 [0,2,0,0,0,0|0,0,2]=4 15416 B11R0.148 C=CCCCCSCCC(C)O 62a_100012276601_100011215482 [0,2,0,0,0,0|0,0,2]=4 15417 B11R0.148 C=CCCCNCCCC(C)C 2230a_100000700776_100011214892 [0,2,0,0,0,0|1,0,1]=4 15418 B11R0.148 C=CCCCNCCCC(C)C 2230a_200000737386_100011713584 [0,2,0,0,0,0|1,0,1]=4 15419 B11R0.148 C=CCCCNCCCC(C)C 34a_100000700776_100011214892 [0,2,0,0,0,0|1,0,1]=4 15420 B11R0.148 C=CCCCNCCCC(C)C 34a_200000737386_100000757094 [0,2,0,0,0,0|1,0,1]=4 15421 B11R0.148 C=CCCCNCCCC(C)O 2230a_100000700776_200000718107 [0,2,0,0,0,0|0,0,2]=4 15422 B11R0.148 C=CCCCNCCCC(C)O 34a_100000700776_200000718107 [0,2,0,0,0,0|0,0,2]=4 15423 B11R0.148 C=CCCCOCCCC(C)C 34a_100000210774_100000757094 [0,2,0,0,0,0|1,0,1]=4 15424 B11R0.148 C=CCCCOCCCC(C)C 34a_100000758997_100011214892 [0,2,0,0,0,0|1,0,1]=4 15425 B11R0.148 C=CCCCOCCCC(C)C 7a_100000210774_100000757094 [0,2,0,0,0,0|1,0,1]=4 15426 B11R0.148 C=CCCCOCCCC(C)C 7a_100000758997_100011214892 [0,2,0,0,0,0|1,0,1]=4 15427 B11R0.148 C=CCCCOCCCC(C)O 34a_100000758997_200000718107 [0,2,0,0,0,0|0,0,2]=4 15428 B11R0.148 C=CCCCOCCCC(C)O 7a_100000758997_200000718107 [0,2,0,0,0,0|0,0,2]=4 15429 B11R0.148 C=CCCCSCCCC(C)C 62a_100011214892_100000757094 [0,2,0,0,0,0|1,0,1]=4 15430 B11R0.148 C=CCCCSCCCC(C)C 62a_100011713584_100011214892 [0,2,0,0,0,0|1,0,1]=4 15431 B11R0.148 C=CCCCSCCCC(C)O 62a_100011713584_200000718107 [0,2,0,0,0,0|0,0,2]=4 15432 B11R0.148 C=CCCCSCCCC(C)O 62a_200000718107_100000757094 [0,2,0,0,0,0|0,0,2]=4 15433 B11R0.148 C=CCCNCCCCC(C)C 2230a_100015191253_100011216152 [0,2,0,0,0,0|1,0,1]=4 15434 B11R0.148 C=CCCOCCCCC(C)C 34a_100011205117_100011216152 [0,2,0,0,0,0|1,0,1]=4 15435 B11R0.148 C=CCCOCCCCC(C)C 34a_100011214890_100000754431 [0,2,0,0,0,0|1,0,1]=4 15436 B11R0.148 C=CCCOCCCCC(C)C 7a_100011214890_100000754431 [0,2,0,0,0,0|1,0,1]=4 15437 B11R0.148 C=CCCSCCCCC(C)C 62a_100000754431_100011216152 [0,2,0,0,0,0|1,0,1]=4 15438 B11R0.148 C=CCCSCCCCC(C)C 62a_100011216152_100000754431 [0,2,0,0,0,0|1,0,1]=4 15439 B11R0.148 C=CCNCCCCCC(C)C 2230a_100011290863_100000210623 [0,2,0,0,0,0|1,0,1]=4 15440 B11R0.148 C=CCNCCCCCC(C)C 2230a_100020586998_100000210682 [0,2,0,0,0,0|1,0,1]=4 15441 B11R0.148 C=CCNCCCCCC(C)C 34a_100011290863_100015514636 [0,2,0,0,0,0|1,0,1]=4 15442 B11R0.148 C=CCOCCCCCC(C)C 34a_100011995859_100015514636 [0,2,0,0,0,0|1,0,1]=4 15443 B11R0.148 C=CCOCCCCCC(C)C 34a_200000210373_100000210682 [0,2,0,0,0,0|1,0,1]=4 15444 B11R0.148 C=CCOCCCCCC(C)C 7a_100011995859_100015514636 [0,2,0,0,0,0|1,0,1]=4 15445 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210623_100000210682 [0,2,0,0,0,0|1,0,1]=4 15446 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210682_100000210623 [0,2,0,0,0,0|1,0,1]=4 15447 B11R0.148 CC#CCCOCCCC(C)O 34a_100000750427_200000718107 [0,2,0,0,0,0|0,0,2]=4 15448 B11R0.148 CC(=CCCNCCCCO)C 2230a_100000750430_100011217483 [0,2,0,0,0,0|0,0,2]=4 15449 B11R0.148 CC(=CCCNCCCCO)C 34a_100000750430_100011217483 [0,2,0,0,0,0|0,0,2]=4 15450 B11R0.148 CC(=CCCSCCCCO)C 62a_100000210776_100011217483 [0,2,0,0,0,0|0,0,2]=4 15451 B11R0.148 CC(=CCCSCCCCO)C 62a_100011217483_100000210776 [0,2,0,0,0,0|0,0,2]=4 15452 B11R0.148 CC(=CCNCCCCCO)C 2230a_100000762737_100000761012 [0,2,0,0,0,0|0,0,2]=4 15453 B11R0.148 CC(=CCNCCCCCO)C 34a_100000718196_100000746330 [0,2,0,0,0,0|0,0,2]=4 15454 B11R0.148 CC(=CCNCCCCCO)C 34a_100000762737_100000761012 [0,2,0,0,0,0|0,0,2]=4 15455 B11R0.148 CC(=CCOCCCCCO)C 34a_100000753907_100000746330 [0,2,0,0,0,0|0,0,2]=4 15456 B11R0.148 CC(=CCSCCCCCO)C 62a_100000746330_100000761012 [0,2,0,0,0,0|0,0,2]=4 15457 B11R0.148 CC(=CCSCCCCCO)C 62a_100000761012_100000746330 [0,2,0,0,0,0|0,0,2]=4 15458 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,2,0,0,0,0|0,0,0]=2 15459 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,2,0,0,0,0|1,0,1]=4 15460 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,2,0,0,0,0|1,0,1]=4 15461 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,2,0,0,0,0|1,0,1]=4 15462 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,2,0,0,0,0|1,0,1]=4 15463 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,2,0,0,0,0|1,0,1]=4 15464 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [0,2,0,0,0,0|1,0,1]=4 15465 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,2,0,0,0,0|1,0,1]=4 15466 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,2,0,0,0,0|1,0,1]=4 15467 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,2,0,0,0,0|0,0,1]=3 15468 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,2,0,0,0,0|0,0,1]=3 15469 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,2,0,0,0,0|0,0,1]=3 15470 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,2,0,0,0,0|1,0,1]=4 15471 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,2,0,0,0,0|1,0,1]=4 15472 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,2,0,0,0,0|1,0,1]=4 15473 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,2,0,0,0,0|1,0,1]=4 15474 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,2,0,0,0,0|1,0,1]=4 15475 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,2,0,0,0,0|1,0,1]=4 15476 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,2,0,0,0,0|1,0,1]=4 15477 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,2,0,0,0,0|1,0,1]=4 15478 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,2,0,0,0,0|1,0,1]=4 15479 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,2,0,0,0,0|0,0,1]=3 15480 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,2,0,0,0,0|0,0,1]=3 15481 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,2,0,0,0,0|1,0,1]=4 15482 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,2,0,0,0,0|1,0,1]=4 15483 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,2,0,0,0,0|0,0,1]=3 15484 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,2,0,0,0,0|0,0,1]=3 15485 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,2,0,0,0,0|1,0,1]=4 15486 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,2,0,0,0,0|1,0,1]=4 15487 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,2,0,0,0,0|1,0,1]=4 15488 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,2,0,0,0,0|1,0,1]=4 15489 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,2,0,0,0,0|1,0,1]=4 15490 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,2,0,0,0,0|0,0,1]=3 15491 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,2,0,0,0,0|0,0,1]=3 15492 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [0,2,0,0,0,0|1,0,1]=4 15493 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [0,2,0,0,0,0|1,0,1]=4 15494 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [0,2,0,0,0,0|1,0,1]=4 15495 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [0,2,0,0,0,0|1,0,1]=4 15496 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,2,0,0,0,0|1,0,1]=4 15497 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,2,0,0,0,0|1,0,1]=4 15498 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,2,0,0,0,0|0,0,1]=3 15499 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,2,0,0,0,0|0,0,1]=3 15500 B11R0.148 CC(=O)CCSCCOCCO 62a_100000053229_100011215305 [0,2,0,0,0,0|1,0,1]=4 15501 B11R0.148 CC(=O)CCSCCOCCO 62a_100011215305_100000053229 [0,2,0,0,0,0|1,0,1]=4 15502 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,2,0,0,0,0|1,0,1]=4 15503 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,2,0,0,0,0|0,0,1]=3 15504 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,2,0,0,0,0|0,0,1]=3 15505 B11R0.148 CC(=O)NCCCCNCCO 2230a_200011368371_100000211926 [0,2,0,0,0,0|1,0,1]=4 15506 B11R0.148 CC(=O)NCCCCNCCO 34a_200011368371_100000211926 [0,2,0,0,0,0|1,0,1]=4 15507 B11R0.148 CC(=O)NCCCNCCCO 34a_100000736810_100000230001 [0,2,0,0,0,0|1,0,1]=4 15508 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [0,2,0,0,0,0|1,0,1]=4 15509 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [0,2,0,0,0,0|1,0,1]=4 15510 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000209853_100000210776 [0,2,0,0,0,0|1,0,1]=4 15511 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000750430_100000189650 [0,2,0,0,0,0|1,0,1]=4 15512 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [0,2,0,0,0,0|1,0,1]=4 15513 B11R0.148 CC(=O)NCCSCCCCO 62a_100000189650_100000210776 [0,2,0,0,0,0|1,0,1]=4 15514 B11R0.148 CC(=O)NCCSCCCCO 62a_100000210776_100000189650 [0,2,0,0,0,0|1,0,1]=4 15515 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,2,0,0,0,0|1,0,1]=4 15516 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,2,0,0,0,0|1,0,1]=4 15517 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,2,0,0,0,0|1,0,1]=4 15518 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,2,0,0,0,0|1,0,1]=4 15519 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,2,0,0,0,0|1,0,1]=4 15520 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,2,0,0,0,0|1,0,1]=4 15521 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,2,0,0,0,0|1,0,1]=4 15522 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,2,0,0,0,0|1,0,1]=4 15523 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,2,0,0,0,0|1,0,1]=4 15524 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,2,0,0,0,0|1,0,1]=4 15525 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,2,0,0,0,0|1,0,1]=4 15526 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,2,0,0,0,0|1,0,1]=4 15527 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,2,0,0,0,0|1,0,1]=4 15528 B11R0.148 CC(=O)SCCCCNCCO 2230a_100016997473_200010402107 [0,2,0,0,0,0|1,0,1]=4 15529 B11R0.148 CC(=O)SCCCCNCCO 34a_100016990907_200010402107 [0,2,0,0,0,0|1,0,1]=4 15530 B11R0.148 CC(=O)SCCCCSCCO 62a_100000211926_200010402107 [0,2,0,0,0,0|1,0,1]=4 15531 B11R0.148 CC(=O)SCCCCSCCO 62a_200010402107_100000211926 [0,2,0,0,0,0|1,0,1]=4 15532 B11R0.148 CC(=O)SCCCSCCCO 62a_100000038929_100011215043 [0,2,0,0,0,0|1,0,1]=4 15533 B11R0.148 CC(=O)SCCCSCCCO 62a_100011215043_100000038929 [0,2,0,0,0,0|1,0,1]=4 15534 B11R0.148 CC(=S)OCCCSCCCO 62a_100011215043_200135323944 [0,2,0,0,0,0|1,0,1]=4 15535 B11R0.148 CC(=S)OCCCSCCCO 62a_200135323944_100011215043 [0,2,0,0,0,0|1,0,1]=4 15536 B11R0.148 CC(Br)CCOCCCCCF 34a_100009893172_100000729378 [0,2,0,0,0,0|1,0,0]=3 15537 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [0,2,0,0,0,0|0,0,0]=2 15538 B11R0.148 CC(Br)CCOCCOCCO 34a_100009893172_100000692535 [0,2,0,0,0,0|1,0,0]=3 15539 B11R0.148 CC(Br)COCCCCCCF 34a_100012180447_100015922095 [0,2,0,0,0,0|1,0,0]=3 15540 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [0,2,0,0,0,0|0,0,0]=2 15541 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [0,2,0,0,0,0|0,0,0]=2 15542 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [0,2,0,0,0,0|0,0,0]=2 15543 B11R0.148 CC(C)CCCCCCNCF 34a_100000211014_100015361967 [0,2,0,0,0,0|1,0,0]=3 15544 B11R0.148 CC(C)CCCCCNCC#N 2230a_100011290863_100011215382 [0,2,0,0,0,0|1,0,1]=4 15545 B11R0.148 CC(C)CCCCCNCC=O 2230a_100011290863_200015260668 [0,2,0,0,0,0|0,0,2]=4 15546 B11R0.148 CC(C)CCCCCNCC=O 34a_100011290863_200009817547 [0,2,0,0,0,0|0,0,2]=4 15547 B11R0.148 CC(C)CCCCCNCCF 2230a_100011290863_100011217306 [0,2,0,0,0,0|1,0,0]=3 15548 B11R0.148 CC(C)CCCCCNCCF 34a_100000724931_100000210682 [0,2,0,0,0,0|1,0,0]=3 15549 B11R0.148 CC(C)CCCCCNCCF 34a_100011290863_100011217306 [0,2,0,0,0,0|1,0,0]=3 15550 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [0,2,0,0,0,0|0,0,0]=2 15551 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [0,2,0,0,0,0|0,0,0]=2 15552 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [0,2,0,0,0,0|0,0,0]=2 15553 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [0,2,0,0,0,0|0,0,0]=2 15554 B11R0.148 CC(C)CCCCCOCC#N 7a_100011995859_100011215382 [0,2,0,0,0,0|1,0,1]=4 15555 B11R0.148 CC(C)CCCCCOCC=O 34a_100011995859_200009817547 [0,2,0,0,0,0|0,0,2]=4 15556 B11R0.148 CC(C)CCCCCOCC=O 7a_100011995859_200015260668 [0,2,0,0,0,0|0,0,2]=4 15557 B11R0.148 CC(C)CCCCCOCCBr 34a_100000211926_100000210682 [0,2,0,0,0,0|1,0,0]=3 15558 B11R0.148 CC(C)CCCCCOCCF 34a_100011995859_100011217306 [0,2,0,0,0,0|1,0,0]=3 15559 B11R0.148 CC(C)CCCCCOCCF 7a_100011995859_100011217306 [0,2,0,0,0,0|1,0,0]=3 15560 B11R0.148 CC(C)CCCCCOCCN 34a_100000210304_100000210682 [0,2,0,0,0,0|1,0,0]=3 15561 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [0,2,0,0,0,0|0,0,0]=2 15562 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [0,2,0,0,0,0|0,0,0]=2 15563 B11R0.148 CC(C)CCCCCSCC#N 62a_100000210682_100011215382 [0,2,0,0,0,0|1,0,1]=4 15564 B11R0.148 CC(C)CCCCCSCC#N 62a_100011215382_100000210682 [0,2,0,0,0,0|1,0,1]=4 15565 B11R0.148 CC(C)CCCCCSCC=O 62a_100000210682_200015260668 [0,2,0,0,0,0|0,0,2]=4 15566 B11R0.148 CC(C)CCCCCSCC=O 62a_200015260668_100000210682 [0,2,0,0,0,0|0,0,2]=4 15567 B11R0.148 CC(C)CCCCCSCCF 62a_100000210682_100011217306 [0,2,0,0,0,0|1,0,0]=3 15568 B11R0.148 CC(C)CCCCCSCCF 62a_100011217306_100000210682 [0,2,0,0,0,0|1,0,0]=3 15569 B11R0.148 CC(C)CCCCCSCCO 62a_100000210682_100000211926 [0,2,0,0,0,0|0,0,0]=2 15570 B11R0.148 CC(C)CCCCCSCCO 62a_100000211926_100000210682 [0,2,0,0,0,0|0,0,0]=2 15571 B11R0.148 CC(C)CCCCNCCCF 2230a_100015189416_100011216152 [0,2,0,0,0,0|1,0,0]=3 15572 B11R0.148 CC(C)CCCCNCCCF 34a_100015189416_100011216152 [0,2,0,0,0,0|1,0,0]=3 15573 B11R0.148 CC(C)CCCCOCCC#N 7a_100011214890_100000184422 [0,2,0,0,0,0|1,0,1]=4 15574 B11R0.148 CC(C)CCCCOCCCBr 34a_100011217188_100011216152 [0,2,0,0,0,0|1,0,0]=3 15575 B11R0.148 CC(C)CCCCOCCCCl 34a_100000230001_100011216152 [0,2,0,0,0,0|1,0,0]=3 15576 B11R0.148 CC(C)CCCCOCCCF 34a_100000759539_100011216152 [0,2,0,0,0,0|1,0,0]=3 15577 B11R0.148 CC(C)CCCCOCCCF 34a_100011214890_100011934791 [0,2,0,0,0,0|1,0,0]=3 15578 B11R0.148 CC(C)CCCCOCCCF 7a_100011214890_100011934791 [0,2,0,0,0,0|1,0,0]=3 15579 B11R0.148 CC(C)CCCCOCCCN 34a_100000182051_100011216152 [0,2,0,0,0,0|1,0,0]=3 15580 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [0,2,0,0,0,0|0,0,0]=2 15581 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [0,2,0,0,0,0|0,0,0]=2 15582 B11R0.148 CC(C)CCCCOCCON 34a_100000700252_100011216152 [0,2,0,0,0,0|1,0,0]=3 15583 B11R0.148 CC(C)CCCCSCCC#N 62a_100011215226_100011216152 [0,2,0,0,0,0|1,0,1]=4 15584 B11R0.148 CC(C)CCCCSCCC#N 62a_100011216152_100011215226 [0,2,0,0,0,0|1,0,1]=4 15585 B11R0.148 CC(C)CCCCSCCCF 62a_100011216152_100011934791 [0,2,0,0,0,0|1,0,0]=3 15586 B11R0.148 CC(C)CCCCSCCCF 62a_100011934791_100011216152 [0,2,0,0,0,0|1,0,0]=3 15587 B11R0.148 CC(C)CCCCSCCCO 62a_100011215043_100011216152 [0,2,0,0,0,0|0,0,0]=2 15588 B11R0.148 CC(C)CCCCSCCCO 62a_100011216152_100011215043 [0,2,0,0,0,0|0,0,0]=2 15589 B11R0.148 CC(C)CCCNCC#CCO 2230a_200000737386_200000047223 [0,2,0,0,0,0|0,0,2]=4 15590 B11R0.148 CC(C)CCCNCC#CCO 34a_200000737386_200000047223 [0,2,0,0,0,0|0,0,2]=4 15591 B11R0.148 CC(C)CCCNCCCC#N 2230a_200000737386_100000687738 [0,2,0,0,0,0|1,0,1]=4 15592 B11R0.148 CC(C)CCCNCCCC=O 2230a_200000737386_200011292268 [0,2,0,0,0,0|0,0,2]=4 15593 B11R0.148 CC(C)CCCNCCCCF 2230a_200000737386_100000729493 [0,2,0,0,0,0|1,0,0]=3 15594 B11R0.148 CC(C)CCCNCCCCF 34a_200000737386_100000729493 [0,2,0,0,0,0|1,0,0]=3 15595 B11R0.148 CC(C)CCCNCCCCO 2230a_100000750430_100011214892 [0,2,0,0,0,0|0,0,0]=2 15596 B11R0.148 CC(C)CCCNCCCCO 2230a_200000737386_100000210776 [0,2,0,0,0,0|0,0,0]=2 15597 B11R0.148 CC(C)CCCNCCCCO 34a_100000750430_100011214892 [0,2,0,0,0,0|0,0,0]=2 15598 B11R0.148 CC(C)CCCNCCCCO 34a_200000737386_100011216708 [0,2,0,0,0,0|0,0,0]=2 15599 B11R0.148 CC(C)CCCOCC#CCO 34a_100000210774_200000047223 [0,2,0,0,0,0|0,0,2]=4 15600 B11R0.148 CC(C)CCCOCC#CCO 7a_100000210774_200000047223 [0,2,0,0,0,0|0,0,2]=4 15601 B11R0.148 CC(C)CCCOCCCC#N 7a_100000210774_100000687738 [0,2,0,0,0,0|1,0,1]=4 15602 B11R0.148 CC(C)CCCOCCCC=O 7a_100000210774_200011292268 [0,2,0,0,0,0|0,0,2]=4 15603 B11R0.148 CC(C)CCCOCCCCBr 34a_100011216708_100011214892 [0,2,0,0,0,0|1,0,0]=3 15604 B11R0.148 CC(C)CCCOCCCCCl 34a_100000210776_100011214892 [0,2,0,0,0,0|1,0,0]=3 15605 B11R0.148 CC(C)CCCOCCCCCl 7a_100000210776_100011214892 [0,2,0,0,0,0|1,0,0]=3 15606 B11R0.148 CC(C)CCCOCCCCF 34a_100000210774_100000729493 [0,2,0,0,0,0|1,0,0]=3 15607 B11R0.148 CC(C)CCCOCCCCF 34a_100011995726_100011214892 [0,2,0,0,0,0|1,0,0]=3 15608 B11R0.148 CC(C)CCCOCCCCF 7a_100000210774_100000729493 [0,2,0,0,0,0|1,0,0]=3 15609 B11R0.148 CC(C)CCCOCCCCF 7a_100011995726_100011214892 [0,2,0,0,0,0|1,0,0]=3 15610 B11R0.148 CC(C)CCCOCCCCI 34a_200012148704_100011214892 [0,2,0,0,0,0|1,0,0]=3 15611 B11R0.148 CC(C)CCCOCCCCN 34a_100000750430_100011214892 [0,2,0,0,0,0|1,0,0]=3 15612 B11R0.148 CC(C)CCCOCCCCO 34a_100000210774_100011216708 [0,2,0,0,0,0|0,0,0]=2 15613 B11R0.148 CC(C)CCCOCCCCO 7a_100000210774_100000210776 [0,2,0,0,0,0|0,0,0]=2 15614 B11R0.148 CC(C)CCCSCC#CCO 62a_100011214892_200000047223 [0,2,0,0,0,0|0,0,2]=4 15615 B11R0.148 CC(C)CCCSCC#CCO 62a_200000047223_100011214892 [0,2,0,0,0,0|0,0,2]=4 15616 B11R0.148 CC(C)CCCSCCCC#N 62a_100000687738_100011214892 [0,2,0,0,0,0|1,0,1]=4 15617 B11R0.148 CC(C)CCCSCCCC#N 62a_100011214892_100000687738 [0,2,0,0,0,0|1,0,1]=4 15618 B11R0.148 CC(C)CCCSCCCC=O 62a_100011214892_200011292268 [0,2,0,0,0,0|0,0,2]=4 15619 B11R0.148 CC(C)CCCSCCCC=O 62a_200011292268_100011214892 [0,2,0,0,0,0|0,0,2]=4 15620 B11R0.148 CC(C)CCCSCCCCF 62a_100000729493_100011214892 [0,2,0,0,0,0|1,0,0]=3 15621 B11R0.148 CC(C)CCCSCCCCF 62a_100011214892_100000729493 [0,2,0,0,0,0|1,0,0]=3 15622 B11R0.148 CC(C)CCCSCCCCO 62a_100000210776_100011214892 [0,2,0,0,0,0|0,0,0]=2 15623 B11R0.148 CC(C)CCCSCCCCO 62a_100011214892_100000210776 [0,2,0,0,0,0|0,0,0]=2 15624 B11R0.148 CC(C)CCNCCCCCO 2230a_100000762737_100000210312 [0,2,0,0,0,0|0,0,0]=2 15625 B11R0.148 CC(C)CCNCCCCCO 269862a_100000762737_100000185833 [0,2,0,0,0,0|0,0,0]=2 15626 B11R0.148 CC(C)CCNCCCCCO 34a_100000762737_100000210312 [0,2,0,0,0,0|0,0,0]=2 15627 B11R0.148 CC(C)CCNCCOCCO 2230a_100000211614_100000210312 [0,2,0,0,0,0|1,0,0]=3 15628 B11R0.148 CC(C)CCNCCOCCO 269862a_100000211614_100000185833 [0,2,0,0,0,0|1,0,0]=3 15629 B11R0.148 CC(C)CCNCCOCCO 34a_100000211614_100000210312 [0,2,0,0,0,0|1,0,0]=3 15630 B11R0.148 CC(C)CCNCCSCCO 2230a_100011219999_100000210312 [0,2,0,0,0,0|1,0,0]=3 15631 B11R0.148 CC(C)CCNCCSCCO 269862a_100011219999_100000185833 [0,2,0,0,0,0|1,0,0]=3 15632 B11R0.148 CC(C)CCOCCCCC#N 7a_100000210254_100000211819 [0,2,0,0,0,0|1,0,1]=4 15633 B11R0.148 CC(C)CCOCCCCC=O 7a_100000210254_100000139335 [0,2,0,0,0,0|0,0,2]=4 15634 B11R0.148 CC(C)CCOCCCCCBr 34a_100000746331_100000210312 [0,2,0,0,0,0|1,0,0]=3 15635 B11R0.148 CC(C)CCOCCCCCBr 7a_100000746331_100000210626 [0,2,0,0,0,0|1,0,0]=3 15636 B11R0.148 CC(C)CCOCCCCCCl 34a_100000746330_100000210312 [0,2,0,0,0,0|1,0,0]=3 15637 B11R0.148 CC(C)CCOCCCCCCl 7a_100000746330_100000210626 [0,2,0,0,0,0|1,0,0]=3 15638 B11R0.148 CC(C)CCOCCCCCF 34a_100000210254_100000729378 [0,2,0,0,0,0|1,0,0]=3 15639 B11R0.148 CC(C)CCOCCCCCF 7a_100000210254_100000729378 [0,2,0,0,0,0|1,0,0]=3 15640 B11R0.148 CC(C)CCOCCCCCI 34a_200012148887_100000210312 [0,2,0,0,0,0|1,0,0]=3 15641 B11R0.148 CC(C)CCOCCCCCI 7a_200012148887_100000210626 [0,2,0,0,0,0|1,0,0]=3 15642 B11R0.148 CC(C)CCOCCCCCN 34a_100000762737_100000210312 [0,2,0,0,0,0|1,0,0]=3 15643 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [0,2,0,0,0,0|0,0,0]=2 15644 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [0,2,0,0,0,0|0,0,0]=2 15645 B11R0.148 CC(C)CCOCCOCCBr 34a_100000692535_100000210312 [0,2,0,0,0,0|2,0,0]=4 15646 B11R0.148 CC(C)CCOCCOCCBr 7a_100000692535_100000210626 [0,2,0,0,0,0|2,0,0]=4 15647 B11R0.148 CC(C)CCOCCOCCCl 34a_100011215305_100000210312 [0,2,0,0,0,0|2,0,0]=4 15648 B11R0.148 CC(C)CCOCCOCCCl 7a_100011215305_100000210626 [0,2,0,0,0,0|2,0,0]=4 15649 B11R0.148 CC(C)CCOCCOCCF 34a_200015357709_100000210312 [0,2,0,0,0,0|2,0,0]=4 15650 B11R0.148 CC(C)CCOCCOCCF 7a_200015357709_100000210626 [0,2,0,0,0,0|2,0,0]=4 15651 B11R0.148 CC(C)CCOCCOCCI 34a_100012149058_100000210312 [0,2,0,0,0,0|2,0,0]=4 15652 B11R0.148 CC(C)CCOCCOCCI 7a_100012149058_100000210626 [0,2,0,0,0,0|2,0,0]=4 15653 B11R0.148 CC(C)CCOCCOCCN 34a_100000211614_100000210312 [0,2,0,0,0,0|2,0,0]=4 15654 B11R0.148 CC(C)CCOCCOCCO 34a_100000210254_100000692535 [0,2,0,0,0,0|1,0,0]=3 15655 B11R0.148 CC(C)CCOCCOCCO 7a_100000210254_100011215305 [0,2,0,0,0,0|1,0,0]=3 15656 B11R0.148 CC(C)CCSCCCCC#N 62a_100000210312_100000211819 [0,2,0,0,0,0|1,0,1]=4 15657 B11R0.148 CC(C)CCSCCCCC#N 62a_100011219923_100000210312 [0,2,0,0,0,0|1,0,1]=4 15658 B11R0.148 CC(C)CCSCCCCC=O 62a_100000139335_100000210312 [0,2,0,0,0,0|0,0,2]=4 15659 B11R0.148 CC(C)CCSCCCCC=O 62a_100000210312_100000139335 [0,2,0,0,0,0|0,0,2]=4 15660 B11R0.148 CC(C)CCSCCCCCF 62a_100000210312_100000729378 [0,2,0,0,0,0|1,0,0]=3 15661 B11R0.148 CC(C)CCSCCCCCF 62a_100000729378_100000210312 [0,2,0,0,0,0|1,0,0]=3 15662 B11R0.148 CC(C)CCSCCCCCO 62a_100000210312_100000746330 [0,2,0,0,0,0|0,0,0]=2 15663 B11R0.148 CC(C)CCSCCCCCO 62a_100000746330_100000210312 [0,2,0,0,0,0|0,0,0]=2 15664 B11R0.148 CC(C)CCSCCOCCO 62a_100000210312_100011215305 [0,2,0,0,0,0|1,0,0]=3 15665 B11R0.148 CC(C)CCSCCOCCO 62a_100011215305_100000210312 [0,2,0,0,0,0|1,0,0]=3 15666 B11R0.148 CC(C)CNCCCCCC#N 2230a_100000210953_100009813376 [0,2,0,0,0,0|1,0,1]=4 15667 B11R0.148 CC(C)CNCCCCCC#N 270004a_100000061152_100000210432 [0,2,0,0,0,0|1,0,1]=4 15668 B11R0.148 CC(C)CNCCCCCC=O 2230a_100000210953_100000139337 [0,2,0,0,0,0|0,0,2]=4 15669 B11R0.148 CC(C)CNCCCCCCF 2230a_100000210953_100015922095 [0,2,0,0,0,0|1,0,0]=3 15670 B11R0.148 CC(C)CNCCCCCCF 34a_100000210953_100015922095 [0,2,0,0,0,0|1,0,0]=3 15671 B11R0.148 CC(C)CNCCCCCCO 2230a_100000210953_100000766143 [0,2,0,0,0,0|0,0,0]=2 15672 B11R0.148 CC(C)CNCCCCCCO 2230a_100000686447_100000210760 [0,2,0,0,0,0|0,0,0]=2 15673 B11R0.148 CC(C)CNCCCCCCO 270004a_100000686447_100000210432 [0,2,0,0,0,0|0,0,0]=2 15674 B11R0.148 CC(C)CNCCCCCCO 34a_100000210953_100000766143 [0,2,0,0,0,0|0,0,0]=2 15675 B11R0.148 CC(C)CNCCCCCCO 34a_100000686447_100000210624 [0,2,0,0,0,0|0,0,0]=2 15676 B11R0.148 CC(C)CNCCOCCCF 34a_100015185251_100011934791 [0,2,0,0,0,0|2,0,0]=4 15677 B11R0.148 CC(C)CNCCOCCCO 34a_100015185251_100000230001 [0,2,0,0,0,0|1,0,0]=3 15678 B11R0.148 CC(C)COCCCCCCBr 34a_100011215345_100000210624 [0,2,0,0,0,0|1,0,0]=3 15679 B11R0.148 CC(C)COCCCCCCBr 7a_100011215345_100000210760 [0,2,0,0,0,0|1,0,0]=3 15680 B11R0.148 CC(C)COCCCCCCCl 34a_100000766143_100000210624 [0,2,0,0,0,0|1,0,0]=3 15681 B11R0.148 CC(C)COCCCCCCCl 7a_100000766143_100000210760 [0,2,0,0,0,0|1,0,0]=3 15682 B11R0.148 CC(C)COCCCCCCF 34a_100000210257_100015922095 [0,2,0,0,0,0|1,0,0]=3 15683 B11R0.148 CC(C)COCCCCCCF 34a_100000732779_100000210624 [0,2,0,0,0,0|1,0,0]=3 15684 B11R0.148 CC(C)COCCCCCCF 7a_100000732779_100000210760 [0,2,0,0,0,0|1,0,0]=3 15685 B11R0.148 CC(C)COCCCCCCN 34a_100000686447_100000210624 [0,2,0,0,0,0|1,0,0]=3 15686 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [0,2,0,0,0,0|0,0,0]=2 15687 B11R0.148 CC(C)COCCCNCCF 2230a_100000205972_100011217306 [0,2,0,0,0,0|2,0,0]=4 15688 B11R0.148 CC(C)COCCCNCCF 34a_100000205972_100011217306 [0,2,0,0,0,0|2,0,0]=4 15689 B11R0.148 CC(C)COCCCNCCO 2230a_100000205972_100000211926 [0,2,0,0,0,0|1,0,0]=3 15690 B11R0.148 CC(C)COCCCNCCO 34a_100000205972_100000211926 [0,2,0,0,0,0|1,0,0]=3 15691 B11R0.148 CC(C)COCCOCCCF 34a_100000703358_100011934791 [0,2,0,0,0,0|2,0,0]=4 15692 B11R0.148 CC(C)COCCOCCCF 7a_100000703358_100011934791 [0,2,0,0,0,0|2,0,0]=4 15693 B11R0.148 CC(C)COCCOCCCO 34a_100000703358_100000230001 [0,2,0,0,0,0|1,0,0]=3 15694 B11R0.148 CC(C)COCCOCCCO 7a_100000703358_100011215043 [0,2,0,0,0,0|1,0,0]=3 15695 B11R0.148 CC(C)CSCCCCCC#N 62a_100000210624_100009813376 [0,2,0,0,0,0|1,0,1]=4 15696 B11R0.148 CC(C)CSCCCCCC#N 62a_100009813376_100000210760 [0,2,0,0,0,0|1,0,1]=4 15697 B11R0.148 CC(C)CSCCCCCC=O 62a_100000139337_100000210760 [0,2,0,0,0,0|0,0,2]=4 15698 B11R0.148 CC(C)CSCCCCCC=O 62a_100000210624_100000139337 [0,2,0,0,0,0|0,0,2]=4 15699 B11R0.148 CC(C)CSCCCCCCF 62a_100000210624_100015922095 [0,2,0,0,0,0|1,0,0]=3 15700 B11R0.148 CC(C)CSCCCCCCF 62a_100015922095_100000210760 [0,2,0,0,0,0|1,0,0]=3 15701 B11R0.148 CC(C)CSCCCCCCO 62a_100000210624_100000766143 [0,2,0,0,0,0|0,0,0]=2 15702 B11R0.148 CC(C)CSCCCCCCO 62a_100000766143_100000210760 [0,2,0,0,0,0|0,0,0]=2 15703 B11R0.148 CC(C)CSCCOCCCF 34a_200000230437_100011934791 [0,2,0,0,0,0|2,0,0]=4 15704 B11R0.148 CC(C)CSCCOCCCF 7a_200000230437_100011934791 [0,2,0,0,0,0|2,0,0]=4 15705 B11R0.148 CC(C)CSCCOCCCO 34a_200000230437_100000230001 [0,2,0,0,0,0|1,0,0]=3 15706 B11R0.148 CC(C)CSCCOCCCO 7a_200000230437_100011215043 [0,2,0,0,0,0|1,0,0]=3 15707 B11R0.148 CC(C)NCCCCCCC#N 2230a_100138425928_100009813337 [0,2,0,0,0,0|1,0,1]=4 15708 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [0,2,0,0,0,0|0,0,0]=2 15709 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [0,2,0,0,0,0|0,0,0]=2 15710 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [0,2,0,0,0,0|0,0,0]=2 15711 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [0,2,0,0,0,0|0,0,0]=2 15712 B11R0.148 CC(C)NCCCCCOCF 34a_100011629493_100015361967 [0,2,0,0,0,0|2,0,0]=4 15713 B11R0.148 CC(C)NCCCCOCCF 34a_100011521146_100011217306 [0,2,0,0,0,0|2,0,0]=4 15714 B11R0.148 CC(C)NCCCCOCCO 34a_100011521146_100000211926 [0,2,0,0,0,0|1,0,0]=3 15715 B11R0.148 CC(C)NCCCOCCCF 34a_100000182298_100011934791 [0,2,0,0,0,0|2,0,0]=4 15716 B11R0.148 CC(C)NCCCOCCCO 2230a_100011310245_100000210206 [0,2,0,0,0,0|1,0,0]=3 15717 B11R0.148 CC(C)NCCCOCCCO 34a_100000182298_100000230001 [0,2,0,0,0,0|1,0,0]=3 15718 B11R0.148 CC(C)NCCCOCCCO 34a_100011310245_100000210206 [0,2,0,0,0,0|1,0,0]=3 15719 B11R0.148 CC(C)NCCOCCCCF 34a_100000224655_100000729493 [0,2,0,0,0,0|2,0,0]=4 15720 B11R0.148 CC(C)NCCOCCCCO 34a_100000224655_100011216708 [0,2,0,0,0,0|1,0,0]=3 15721 B11R0.148 CC(C)OCCCCCCCBr 34a_100000760002_100000210206 [0,2,0,0,0,0|1,0,0]=3 15722 B11R0.148 CC(C)OCCCCCCCBr 7a_100000760002_100000210206 [0,2,0,0,0,0|1,0,0]=3 15723 B11R0.148 CC(C)OCCCCCCCN 34a_100011996573_100000210206 [0,2,0,0,0,0|1,0,0]=3 15724 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [0,2,0,0,0,0|0,0,0]=2 15725 B11R0.148 CC(C)OCCCNCCCF 2230a_100000737246_100011934791 [0,2,0,0,0,0|2,0,0]=4 15726 B11R0.148 CC(C)OCCCNCCCF 34a_100000737246_100011934791 [0,2,0,0,0,0|2,0,0]=4 15727 B11R0.148 CC(C)OCCCNCCCO 2230a_100000737246_100000230001 [0,2,0,0,0,0|1,0,0]=3 15728 B11R0.148 CC(C)OCCCNCCCO 34a_100000737246_100000230001 [0,2,0,0,0,0|1,0,0]=3 15729 B11R0.148 CC(C)OCCCOCCCN 34a_100011310245_100000210206 [0,2,0,0,0,0|2,0,0]=4 15730 B11R0.148 CC(C)OCCNCCCCF 2230a_100000701111_100000729493 [0,2,0,0,0,0|2,0,0]=4 15731 B11R0.148 CC(C)OCCNCCCCF 34a_100000701111_100000729493 [0,2,0,0,0,0|2,0,0]=4 15732 B11R0.148 CC(C)OCCNCCCCO 2230a_100000701111_100000210776 [0,2,0,0,0,0|1,0,0]=3 15733 B11R0.148 CC(C)OCCNCCCCO 2230a_100000750430_100000211751 [0,2,0,0,0,0|1,0,0]=3 15734 B11R0.148 CC(C)OCCNCCCCO 34a_100000701111_100011216708 [0,2,0,0,0,0|1,0,0]=3 15735 B11R0.148 CC(C)OCCNCCCCO 34a_100000750430_100000211751 [0,2,0,0,0,0|1,0,0]=3 15736 B11R0.148 CC(C)OCCOCCCCBr 34a_100011216708_100000211751 [0,2,0,0,0,0|2,0,0]=4 15737 B11R0.148 CC(C)OCCOCCCCCl 34a_100000210776_100000211751 [0,2,0,0,0,0|2,0,0]=4 15738 B11R0.148 CC(C)OCCOCCCCCl 7a_100000210776_100000211751 [0,2,0,0,0,0|2,0,0]=4 15739 B11R0.148 CC(C)OCCOCCCCF 34a_100000211219_100000729493 [0,2,0,0,0,0|2,0,0]=4 15740 B11R0.148 CC(C)OCCOCCCCF 34a_100011995726_100000211751 [0,2,0,0,0,0|2,0,0]=4 15741 B11R0.148 CC(C)OCCOCCCCF 7a_100000211219_100000729493 [0,2,0,0,0,0|2,0,0]=4 15742 B11R0.148 CC(C)OCCOCCCCF 7a_100011995726_100000211751 [0,2,0,0,0,0|2,0,0]=4 15743 B11R0.148 CC(C)OCCOCCCCI 34a_200012148704_100000211751 [0,2,0,0,0,0|2,0,0]=4 15744 B11R0.148 CC(C)OCCOCCCCN 34a_100000750430_100000211751 [0,2,0,0,0,0|2,0,0]=4 15745 B11R0.148 CC(C)OCCOCCCCO 34a_100000211219_100011216708 [0,2,0,0,0,0|1,0,0]=3 15746 B11R0.148 CC(C)OCCOCCCCO 7a_100000211219_100000210776 [0,2,0,0,0,0|1,0,0]=3 15747 B11R0.148 CC(C)OCCSCCCCF 62a_100000211751_100000729493 [0,2,0,0,0,0|2,0,0]=4 15748 B11R0.148 CC(C)OCCSCCCCF 62a_100000729493_100000211751 [0,2,0,0,0,0|2,0,0]=4 15749 B11R0.148 CC(C)OCCSCCCCO 62a_100000210776_100000211751 [0,2,0,0,0,0|1,0,0]=3 15750 B11R0.148 CC(C)OCCSCCCCO 62a_100000211751_100000210776 [0,2,0,0,0,0|1,0,0]=3 15751 B11R0.148 CC(C)OCNCCCCCO 2230a_100000762737_100000709892 [0,2,0,0,0,0|1,0,0]=3 15752 B11R0.148 CC(C)OCNCCCCCO 34a_100000762737_100000709892 [0,2,0,0,0,0|1,0,0]=3 15753 B11R0.148 CC(C)OCNCCOCCO 2230a_100000211614_100000709892 [0,2,0,0,0,0|2,0,0]=4 15754 B11R0.148 CC(C)OCNCCOCCO 34a_100000211614_100000709892 [0,2,0,0,0,0|2,0,0]=4 15755 B11R0.148 CC(C)OCNCCSCCO 2230a_100011219999_100000709892 [0,2,0,0,0,0|2,0,0]=4 15756 B11R0.148 CC(C)OCOCCCCCBr 34a_100000746331_100000709892 [0,2,0,0,0,0|2,0,0]=4 15757 B11R0.148 CC(C)OCOCCCCCCl 34a_100000746330_100000709892 [0,2,0,0,0,0|2,0,0]=4 15758 B11R0.148 CC(C)OCOCCCCCI 34a_200012148887_100000709892 [0,2,0,0,0,0|2,0,0]=4 15759 B11R0.148 CC(C)OCOCCCCCN 34a_100000762737_100000709892 [0,2,0,0,0,0|2,0,0]=4 15760 B11R0.148 CC(C)OCSCCCCCF 62a_100000709892_100000729378 [0,2,0,0,0,0|2,0,0]=4 15761 B11R0.148 CC(C)OCSCCCCCF 62a_100000729378_100000709892 [0,2,0,0,0,0|2,0,0]=4 15762 B11R0.148 CC(C)OCSCCCCCO 62a_100000709892_100000746330 [0,2,0,0,0,0|1,0,0]=3 15763 B11R0.148 CC(C)OCSCCCCCO 62a_100000746330_100000709892 [0,2,0,0,0,0|1,0,0]=3 15764 B11R0.148 CC(C)OCSCCOCCO 62a_100000709892_100011215305 [0,2,0,0,0,0|2,0,0]=4 15765 B11R0.148 CC(C)OCSCCOCCO 62a_100011215305_100000709892 [0,2,0,0,0,0|2,0,0]=4 15766 B11R0.148 CC(C)SCCCCCCC#N 62a_100000210206_100009813337 [0,2,0,0,0,0|1,0,1]=4 15767 B11R0.148 CC(C)SCCCCCCC#N 62a_100009813337_100000210206 [0,2,0,0,0,0|1,0,1]=4 15768 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [0,2,0,0,0,0|0,0,0]=2 15769 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [0,2,0,0,0,0|0,0,0]=2 15770 B11R0.148 CC(C)SCCNCCCCF 2230a_100000731138_100000729493 [0,2,0,0,0,0|2,0,0]=4 15771 B11R0.148 CC(C)SCCNCCCCF 34a_100000731138_100000729493 [0,2,0,0,0,0|2,0,0]=4 15772 B11R0.148 CC(C)SCCNCCCCO 2230a_100000731138_100000210776 [0,2,0,0,0,0|1,0,0]=3 15773 B11R0.148 CC(C)SCCNCCCCO 2230a_100000750430_100000730970 [0,2,0,0,0,0|1,0,0]=3 15774 B11R0.148 CC(C)SCCNCCCCO 34a_100000731138_100011216708 [0,2,0,0,0,0|1,0,0]=3 15775 B11R0.148 CC(C)SCCNCCCCO 34a_100000750430_100000730970 [0,2,0,0,0,0|1,0,0]=3 15776 B11R0.148 CC(C)SCCOCCCCBr 34a_100011216708_100000730970 [0,2,0,0,0,0|2,0,0]=4 15777 B11R0.148 CC(C)SCCOCCCCCl 34a_100000210776_100000730970 [0,2,0,0,0,0|2,0,0]=4 15778 B11R0.148 CC(C)SCCOCCCCCl 7a_100000210776_100000730970 [0,2,0,0,0,0|2,0,0]=4 15779 B11R0.148 CC(C)SCCOCCCCF 34a_100011995726_100000730970 [0,2,0,0,0,0|2,0,0]=4 15780 B11R0.148 CC(C)SCCOCCCCF 34a_200011212901_100000729493 [0,2,0,0,0,0|2,0,0]=4 15781 B11R0.148 CC(C)SCCOCCCCF 7a_100011995726_100000730970 [0,2,0,0,0,0|2,0,0]=4 15782 B11R0.148 CC(C)SCCOCCCCF 7a_200011212901_100000729493 [0,2,0,0,0,0|2,0,0]=4 15783 B11R0.148 CC(C)SCCOCCCCI 34a_200012148704_100000730970 [0,2,0,0,0,0|2,0,0]=4 15784 B11R0.148 CC(C)SCCOCCCCN 34a_100000750430_100000730970 [0,2,0,0,0,0|2,0,0]=4 15785 B11R0.148 CC(C)SCCOCCCCO 34a_200011212901_100011216708 [0,2,0,0,0,0|1,0,0]=3 15786 B11R0.148 CC(C)SCCOCCCCO 7a_200011212901_100000210776 [0,2,0,0,0,0|1,0,0]=3 15787 B11R0.148 CC(C)SCCSCCCCF 62a_100000729493_100000730970 [0,2,0,0,0,0|2,0,0]=4 15788 B11R0.148 CC(C)SCCSCCCCF 62a_100000730970_100000729493 [0,2,0,0,0,0|2,0,0]=4 15789 B11R0.148 CC(C)SCCSCCCCO 62a_100000210776_100000730970 [0,2,0,0,0,0|1,0,0]=3 15790 B11R0.148 CC(C)SCCSCCCCO 62a_100000730970_100000210776 [0,2,0,0,0,0|1,0,0]=3 15791 B11R0.148 CC(F)COCCCCCCF 34a_100015925927_100015922095 [0,2,0,0,0,0|1,0,0]=3 15792 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [0,2,0,0,0,0|0,0,0]=2 15793 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [0,2,0,0,0,0|0,0,0]=2 15794 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [0,2,0,0,0,0|0,0,0]=2 15795 B11R0.148 CC(O)CCCOCCCCBr 34a_100011216708_200000718107 [0,2,0,0,0,0|1,0,0]=3 15796 B11R0.148 CC(O)CCCOCCCCCl 34a_100000210776_200000718107 [0,2,0,0,0,0|1,0,0]=3 15797 B11R0.148 CC(O)CCCOCCCCCl 7a_100000210776_200000718107 [0,2,0,0,0,0|1,0,0]=3 15798 B11R0.148 CC(O)CCCOCCCCF 34a_100011995726_200000718107 [0,2,0,0,0,0|1,0,0]=3 15799 B11R0.148 CC(O)CCCOCCCCF 7a_100011995726_200000718107 [0,2,0,0,0,0|1,0,0]=3 15800 B11R0.148 CC(O)CCCOCCCCI 34a_200012148704_200000718107 [0,2,0,0,0,0|1,0,0]=3 15801 B11R0.148 CC(O)CCCOCCCCN 34a_100000750430_200000718107 [0,2,0,0,0,0|1,0,0]=3 15802 B11R0.148 CC(O)CCCSCC#CCO 62a_200000047223_200000718107 [0,2,0,0,0,0|0,0,2]=4 15803 B11R0.148 CC(O)CCCSCC#CCO 62a_200000718107_200000047223 [0,2,0,0,0,0|0,0,2]=4 15804 B11R0.148 CC(O)CCCSCCCC#N 62a_100000687738_200000718107 [0,2,0,0,0,0|1,0,1]=4 15805 B11R0.148 CC(O)CCCSCCCC#N 62a_200000718107_100000687738 [0,2,0,0,0,0|1,0,1]=4 15806 B11R0.148 CC(O)CCCSCCCC=O 62a_200000718107_200011292268 [0,2,0,0,0,0|0,0,2]=4 15807 B11R0.148 CC(O)CCCSCCCC=O 62a_200011292268_200000718107 [0,2,0,0,0,0|0,0,2]=4 15808 B11R0.148 CC(O)CCCSCCCCF 62a_100000729493_200000718107 [0,2,0,0,0,0|1,0,0]=3 15809 B11R0.148 CC(O)CCCSCCCCF 62a_200000718107_100000729493 [0,2,0,0,0,0|1,0,0]=3 15810 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [0,2,0,0,0,0|0,0,0]=2 15811 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [0,2,0,0,0,0|0,0,0]=2 15812 B11R0.148 CC(O)CCNCCCCC#N 2230a_200000755665_100000211819 [0,2,0,0,0,0|1,0,1]=4 15813 B11R0.148 CC(O)CCNCCCCC=O 2230a_200000755665_100000139335 [0,2,0,0,0,0|0,0,2]=4 15814 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [0,2,0,0,0,0|1,0,0]=3 15815 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [0,2,0,0,0,0|0,0,0]=2 15816 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [0,2,0,0,0,0|0,0,0]=2 15817 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [0,2,0,0,0,0|0,0,0]=2 15818 B11R0.148 CC(O)CCNCCOCCO 2230a_100000211614_100012276601 [0,2,0,0,0,0|1,0,0]=3 15819 B11R0.148 CC(O)CCNCCOCCO 2230a_200000755665_100011215305 [0,2,0,0,0,0|1,0,0]=3 15820 B11R0.148 CC(O)CCNCCOCCO 34a_100000211614_100012276601 [0,2,0,0,0,0|1,0,0]=3 15821 B11R0.148 CC(O)CCNCCSCCO 2230a_100011219999_100012276601 [0,2,0,0,0,0|1,0,0]=3 15822 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [0,2,0,0,0,0|1,0,0]=3 15823 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [0,2,0,0,0,0|1,0,0]=3 15824 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [0,2,0,0,0,0|1,0,0]=3 15825 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [0,2,0,0,0,0|1,0,0]=3 15826 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [0,2,0,0,0,0|1,0,0]=3 15827 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [0,2,0,0,0,0|1,0,0]=3 15828 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [0,2,0,0,0,0|1,0,0]=3 15829 B11R0.148 CC(O)CCOCCOCCBr 34a_100000692535_100012276601 [0,2,0,0,0,0|2,0,0]=4 15830 B11R0.148 CC(O)CCOCCOCCBr 7a_100000692535_100012276601 [0,2,0,0,0,0|2,0,0]=4 15831 B11R0.148 CC(O)CCOCCOCCCl 34a_100011215305_100012276601 [0,2,0,0,0,0|2,0,0]=4 15832 B11R0.148 CC(O)CCOCCOCCCl 7a_100011215305_100012276601 [0,2,0,0,0,0|2,0,0]=4 15833 B11R0.148 CC(O)CCOCCOCCF 34a_200015357709_100012276601 [0,2,0,0,0,0|2,0,0]=4 15834 B11R0.148 CC(O)CCOCCOCCF 7a_200015357709_100012276601 [0,2,0,0,0,0|2,0,0]=4 15835 B11R0.148 CC(O)CCOCCOCCI 34a_100012149058_100012276601 [0,2,0,0,0,0|2,0,0]=4 15836 B11R0.148 CC(O)CCOCCOCCI 7a_100012149058_100012276601 [0,2,0,0,0,0|2,0,0]=4 15837 B11R0.148 CC(O)CCOCCOCCN 34a_100000211614_100012276601 [0,2,0,0,0,0|2,0,0]=4 15838 B11R0.148 CC(O)CCSCCCCC#N 62a_100011219923_100012276601 [0,2,0,0,0,0|1,0,1]=4 15839 B11R0.148 CC(O)CCSCCCCC#N 62a_100012276601_100000211819 [0,2,0,0,0,0|1,0,1]=4 15840 B11R0.148 CC(O)CCSCCCCC=O 62a_100000139335_100012276601 [0,2,0,0,0,0|0,0,2]=4 15841 B11R0.148 CC(O)CCSCCCCC=O 62a_100012276601_100000139335 [0,2,0,0,0,0|0,0,2]=4 15842 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [0,2,0,0,0,0|1,0,0]=3 15843 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [0,2,0,0,0,0|1,0,0]=3 15844 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [0,2,0,0,0,0|0,0,0]=2 15845 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [0,2,0,0,0,0|0,0,0]=2 15846 B11R0.148 CC(O)CCSCCOCCO 62a_100011215305_100012276601 [0,2,0,0,0,0|1,0,0]=3 15847 B11R0.148 CC(O)CCSCCOCCO 62a_100012276601_100011215305 [0,2,0,0,0,0|1,0,0]=3 15848 B11R0.148 CC(O)CNCCCCCC#N 2230a_100000210904_100009813376 [0,2,0,0,0,0|1,0,1]=4 15849 B11R0.148 CC(O)CNCCCCCC=O 2230a_100000210904_100000139337 [0,2,0,0,0,0|0,0,2]=4 15850 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [0,2,0,0,0,0|1,0,0]=3 15851 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [0,2,0,0,0,0|1,0,0]=3 15852 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [0,2,0,0,0,0|0,0,0]=2 15853 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [0,2,0,0,0,0|0,0,0]=2 15854 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [0,2,0,0,0,0|0,0,0]=2 15855 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [0,2,0,0,0,0|0,0,0]=2 15856 B11R0.148 CC(O)CNN=CCCCCO 4a_200000730056_100000031955 [0,2,0,0,0,0|1,0,1]=4 15857 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [0,2,0,0,0,0|1,0,0]=3 15858 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [0,2,0,0,0,0|1,0,0]=3 15859 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [0,2,0,0,0,0|1,0,0]=3 15860 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [0,2,0,0,0,0|1,0,0]=3 15861 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [0,2,0,0,0,0|1,0,0]=3 15862 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [0,2,0,0,0,0|1,0,0]=3 15863 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [0,2,0,0,0,0|1,0,0]=3 15864 B11R0.148 CC(O)CSCCCCCC#N 62a_100009813376_100011218427 [0,2,0,0,0,0|1,0,1]=4 15865 B11R0.148 CC(O)CSCCCCCC#N 62a_100011218427_100009813376 [0,2,0,0,0,0|1,0,1]=4 15866 B11R0.148 CC(O)CSCCCCCC=O 62a_100000139337_100011218427 [0,2,0,0,0,0|0,0,2]=4 15867 B11R0.148 CC(O)CSCCCCCC=O 62a_100011218427_100000139337 [0,2,0,0,0,0|0,0,2]=4 15868 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [0,2,0,0,0,0|1,0,0]=3 15869 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [0,2,0,0,0,0|1,0,0]=3 15870 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [0,2,0,0,0,0|0,0,0]=2 15871 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [0,2,0,0,0,0|0,0,0]=2 15872 B11R0.148 CC/C=C/CCCOCC(C)O 34a_100016287902_100011218427 [0,2,0,0,0,0|0,0,2]=4 15873 B11R0.148 CC/C=C/CCCOCC(C)O 7a_100016287902_100011218427 [0,2,0,0,0,0|0,0,2]=4 15874 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 34a_100016287902_100009817552 [0,2,0,0,0,0|0,0,2]=4 15875 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 7a_100016287902_100009817552 [0,2,0,0,0,0|0,0,2]=4 15876 B11R0.148 CC/C=C\CCNCCC(C)O 2230a_200000755665_100015370543 [0,2,0,0,0,0|0,0,2]=4 15877 B11R0.148 CC/C=C\CCOCCC(C)O 34a_100016288707_100012276601 [0,2,0,0,0,0|0,0,2]=4 15878 B11R0.148 CC/C=C\CCOCCC(C)O 7a_100016288707_100012276601 [0,2,0,0,0,0|0,0,2]=4 15879 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100012276601_100015370543 [0,2,0,0,0,0|0,0,2]=4 15880 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100015370543_100012276601 [0,2,0,0,0,0|0,0,2]=4 15881 B11R0.148 CC/C=C\COCCCC(C)O 34a_100016268518_200000718107 [0,2,0,0,0,0|0,0,2]=4 15882 B11R0.148 CC/C=C\CSCCCC(C)O 62a_100103147603_200000718107 [0,2,0,0,0,0|0,0,2]=4 15883 B11R0.148 CC/C=C\CSCCCC(C)O 62a_200000718107_100103147603 [0,2,0,0,0,0|0,0,2]=4 15884 B11R0.148 CC=CCCCOCCC(C)O 34a_100020645299_100012276601 [0,2,0,0,0,0|0,0,2]=4 15885 B11R0.148 CCC#CCCOCCC(C)O 34a_100000036655_100012276601 [0,2,0,0,0,0|0,0,2]=4 15886 B11R0.148 CCC#CCCOCCC(C)O 7a_100000036655_100012276601 [0,2,0,0,0,0|0,0,2]=4 15887 B11R0.148 CCC#CCOCCCC(C)O 34a_100000032950_200000718107 [0,2,0,0,0,0|0,0,2]=4 15888 B11R0.148 CCC#CCSCCCC(C)O 62a_100009813939_200000718107 [0,2,0,0,0,0|0,0,2]=4 15889 B11R0.148 CCC#CCSCCCC(C)O 62a_200000718107_100009813939 [0,2,0,0,0,0|0,0,2]=4 15890 B11R0.148 CCC/C=C/COCCC(C)O 34a_100016278788_100012276601 [0,2,0,0,0,0|0,0,2]=4 15891 B11R0.148 CCC/C=C/COCCC(C)O 7a_100016278788_100012276601 [0,2,0,0,0,0|0,0,2]=4 15892 B11R0.148 CCCC#CCCOCC(C)O 34a_100000042726_100011218427 [0,2,0,0,0,0|0,0,2]=4 15893 B11R0.148 CCCC#CCCOCC(C)O 7a_100000042726_100011218427 [0,2,0,0,0,0|0,0,2]=4 15894 B11R0.148 CCCC#CCCOC[C@@H](C)O 34a_100000042726_100009817552 [0,2,0,0,0,0|0,0,2]=4 15895 B11R0.148 CCCC#CCCOC[C@@H](C)O 7a_100000042726_100009817552 [0,2,0,0,0,0|0,0,2]=4 15896 B11R0.148 CCCC#CCOCCC(C)O 34a_100000034806_100012276601 [0,2,0,0,0,0|0,0,2]=4 15897 B11R0.148 CCCC#CCOCCC(C)O 7a_100000034806_100012276601 [0,2,0,0,0,0|0,0,2]=4 15898 B11R0.148 CCCC/C=C/COCC(C)O 34a_200016272032_100011218427 [0,2,0,0,0,0|0,0,2]=4 15899 B11R0.148 CCCC/C=C/COCC(C)O 7a_200016272032_100011218427 [0,2,0,0,0,0|0,0,2]=4 15900 B11R0.148 CCCC/C=C/COC[C@@H](C)O 34a_200016272032_100009817552 [0,2,0,0,0,0|0,0,2]=4 15901 B11R0.148 CCCC/C=C/COC[C@@H](C)O 7a_200016272032_100009817552 [0,2,0,0,0,0|0,0,2]=4 15902 B11R0.148 CCCCC#CCOCC(C)O 34a_200000034558_100011218427 [0,2,0,0,0,0|0,0,2]=4 15903 B11R0.148 CCCCC#CCOCC(C)O 7a_200000034558_100011218427 [0,2,0,0,0,0|0,0,2]=4 15904 B11R0.148 CCCCC#CCOC[C@@H](C)O 34a_200000034558_100009817552 [0,2,0,0,0,0|0,0,2]=4 15905 B11R0.148 CCCCC#CCOC[C@@H](C)O 7a_200000034558_100009817552 [0,2,0,0,0,0|0,0,2]=4 15906 B11R0.148 CCCCCC=NNCC(C)O 4a_200000730056_100000737632 [0,2,0,0,0,0|1,0,1]=4 15907 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,2,0,0,0,0|0,0,1]=3 15908 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,2,0,0,0,0|0,0,1]=3 15909 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,2,0,0,0,0|0,0,1]=3 15910 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [0,2,0,0,0,0|1,0,0]=3 15911 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [0,2,0,0,0,0|1,0,0]=3 15912 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [0,2,0,0,0,0|1,0,0]=3 15913 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [0,2,0,0,0,0|1,0,0]=3 15914 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [0,2,0,0,0,0|1,0,0]=3 15915 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [0,2,0,0,0,0|1,0,0]=3 15916 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,2,0,0,0,0|0,0,2]=4 15917 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,2,0,0,0,0|0,0,2]=4 15918 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,2,0,0,0,0|0,0,2]=4 15919 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,2,0,0,0,0|0,0,2]=4 15920 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [0,2,0,0,0,0|1,0,0]=3 15921 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [0,2,0,0,0,0|1,0,0]=3 15922 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [0,2,0,0,0,0|1,0,0]=3 15923 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [0,2,0,0,0,0|1,0,0]=3 15924 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [0,2,0,0,0,0|1,0,0]=3 15925 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [0,2,0,0,0,0|1,0,0]=3 15926 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [0,2,0,0,0,0|1,0,0]=3 15927 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [0,2,0,0,0,0|1,0,0]=3 15928 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [0,2,0,0,0,0|1,0,0]=3 15929 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,2,0,0,0,0|0,0,2]=4 15930 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,2,0,0,0,0|0,0,2]=4 15931 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,2,0,0,0,0|0,0,1]=3 15932 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [0,2,0,0,0,0|1,0,0]=3 15933 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [0,2,0,0,0,0|1,0,0]=3 15934 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [0,2,0,0,0,0|1,0,0]=3 15935 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [0,2,0,0,0,0|1,0,0]=3 15936 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,2,0,0,0,0|0,0,0]=2 15937 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,2,0,0,0,0|0,0,0]=2 15938 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,2,0,0,0,0|0,0,0]=2 15939 B11R0.148 CCCCCCCNCC(F)F 2230a_100000229938_100011934356 [0,2,0,0,0,0|1,0,0]=3 15940 B11R0.148 CCCCCCCNCC(F)F 34a_100000765723_100000210614 [0,2,0,0,0,0|1,0,0]=3 15941 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,2,0,0,0,0|0,0,0]=2 15942 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,2,0,0,0,0|0,0,2]=4 15943 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,2,0,0,0,0|0,0,2]=4 15944 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,2,0,0,0,0|0,0,2]=4 15945 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,2,0,0,0,0|0,0,2]=4 15946 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [0,2,0,0,0,0|1,0,0]=3 15947 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [0,2,0,0,0,0|1,0,0]=3 15948 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [0,2,0,0,0,0|1,0,0]=3 15949 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [0,2,0,0,0,0|1,0,0]=3 15950 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [0,2,0,0,0,0|1,0,0]=3 15951 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,2,0,0,0,0|0,0,0]=2 15952 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,2,0,0,0,0|0,0,0]=2 15953 B11R0.148 CCCCCCCOCC(F)F 34a_100000210272_100011934356 [0,2,0,0,0,0|1,0,0]=3 15954 B11R0.148 CCCCCCCOCC(F)F 34a_100000743014_100000210614 [0,2,0,0,0,0|1,0,0]=3 15955 B11R0.148 CCCCCCCOCC(F)F 7a_100000210272_100011934356 [0,2,0,0,0,0|1,0,0]=3 15956 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [0,2,0,0,0,0|1,0,0]=3 15957 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [0,2,0,0,0,0|1,0,0]=3 15958 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,2,0,0,0,0|0,0,0]=2 15959 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,2,0,0,0,0|0,0,0]=2 15960 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,2,0,0,0,0|1,0,1]=4 15961 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,2,0,0,0,0|0,0,2]=4 15962 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,2,0,0,0,0|0,0,2]=4 15963 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,2,0,0,0,0|0,0,2]=4 15964 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,2,0,0,0,0|0,0,2]=4 15965 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [0,2,0,0,0,0|1,0,0]=3 15966 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [0,2,0,0,0,0|1,0,0]=3 15967 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,2,0,0,0,0|0,0,0]=2 15968 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,2,0,0,0,0|0,0,0]=2 15969 B11R0.148 CCCCCCCSCC(F)F 62a_100000210614_100011934356 [0,2,0,0,0,0|1,0,0]=3 15970 B11R0.148 CCCCCCCSCC(F)F 62a_100011934356_100000210316 [0,2,0,0,0,0|1,0,0]=3 15971 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,2,0,0,0,0|0,0,0]=2 15972 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,2,0,0,0,0|0,0,0]=2 15973 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,2,0,0,0,0|1,0,1]=4 15974 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,2,0,0,0,0|0,0,2]=4 15975 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [0,2,0,0,0,0|1,0,0]=3 15976 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [0,2,0,0,0,0|1,0,0]=3 15977 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,2,0,0,0,0|0,0,0]=2 15978 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,2,0,0,0,0|0,0,0]=2 15979 B11R0.148 CCCCCCNCOC(C)C 2230a_100000210581_100000709892 [0,2,0,0,0,0|2,0,0]=4 15980 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,2,0,0,0,0|1,0,1]=4 15981 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,2,0,0,0,0|0,0,2]=4 15982 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,2,0,0,0,0|0,0,2]=4 15983 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,2,0,0,0,0|0,0,2]=4 15984 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,2,0,0,0,0|0,0,2]=4 15985 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,2,0,0,0,0|0,0,2]=4 15986 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,2,0,0,0,0|0,0,2]=4 15987 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,2,0,0,0,0|0,0,2]=4 15988 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [0,2,0,0,0,0|1,0,0]=3 15989 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [0,2,0,0,0,0|1,0,0]=3 15990 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [0,2,0,0,0,0|1,0,0]=3 15991 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [0,2,0,0,0,0|1,0,0]=3 15992 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [0,2,0,0,0,0|1,0,0]=3 15993 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,2,0,0,0,0|0,0,0]=2 15994 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,2,0,0,0,0|0,0,0]=2 15995 B11R0.148 CCCCCCOCCC(F)F 34a_100103093639_100000210314 [0,2,0,0,0,0|1,0,0]=3 15996 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [0,2,0,0,0,0|2,0,0]=4 15997 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [0,2,0,0,0,0|1,0,0]=3 15998 B11R0.148 CCCCCCOCOC(C)C 34a_100000210259_100000709892 [0,2,0,0,0,0|2,0,0]=4 15999 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,2,0,0,0,0|0,0,2]=4 16000 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,2,0,0,0,0|0,0,2]=4 16001 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,2,0,0,0,0|0,0,2]=4 16002 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,2,0,0,0,0|0,0,2]=4 16003 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [0,2,0,0,0,0|1,0,0]=3 16004 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [0,2,0,0,0,0|1,0,0]=3 16005 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,2,0,0,0,0|0,0,0]=2 16006 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,2,0,0,0,0|0,0,0]=2 16007 B11R0.148 CCCCCCSCCN(C)C 62a_100000210314_100000755713 [0,2,0,0,0,0|2,0,0]=4 16008 B11R0.148 CCCCCCSCOC(C)C 62a_100000210314_100000709892 [0,2,0,0,0,0|2,0,0]=4 16009 B11R0.148 CCCCCCSCOC(C)C 62a_100000709892_100000210757 [0,2,0,0,0,0|2,0,0]=4 16010 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,2,0,0,0,0|0,0,2]=4 16011 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [0,2,0,0,0,0|1,0,0]=3 16012 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [0,2,0,0,0,0|1,0,0]=3 16013 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [0,2,0,0,0,0|1,0,0]=3 16014 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,2,0,0,0,0|0,0,0]=2 16015 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,2,0,0,0,0|1,0,1]=4 16016 B11R0.148 CCCCCNCCOC(C)C 2230a_100000209983_100000211751 [0,2,0,0,0,0|2,0,0]=4 16017 B11R0.148 CCCCCNCCOC(C)C 2230a_100000701111_100000210326 [0,2,0,0,0,0|2,0,0]=4 16018 B11R0.148 CCCCCNCCOC(C)C 34a_100000224656_100000210206 [0,2,0,0,0,0|2,0,0]=4 16019 B11R0.148 CCCCCNCCOC(C)C 34a_100000701111_100000718602 [0,2,0,0,0,0|2,0,0]=4 16020 B11R0.148 CCCCCNCCSC(C)C 2230a_100000209983_100000730970 [0,2,0,0,0,0|2,0,0]=4 16021 B11R0.148 CCCCCNCCSC(C)C 2230a_100000731138_100000210326 [0,2,0,0,0,0|2,0,0]=4 16022 B11R0.148 CCCCCNCCSC(C)C 34a_100000731138_100000718602 [0,2,0,0,0,0|2,0,0]=4 16023 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,2,0,0,0,0|0,0,2]=4 16024 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,2,0,0,0,0|0,0,2]=4 16025 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,2,0,0,0,0|0,0,2]=4 16026 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,2,0,0,0,0|0,0,2]=4 16027 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,2,0,0,0,0|0,0,2]=4 16028 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,2,0,0,0,0|0,0,2]=4 16029 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [0,2,0,0,0,0|1,0,0]=3 16030 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [0,2,0,0,0,0|1,0,0]=3 16031 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [0,2,0,0,0,0|1,0,0]=3 16032 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [0,2,0,0,0,0|1,0,0]=3 16033 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,2,0,0,0,0|0,0,0]=2 16034 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,2,0,0,0,0|0,0,0]=2 16035 B11R0.148 CCCCCOCCCN(C)C 7a_100000210253_100000757444 [0,2,0,0,0,0|2,0,0]=4 16036 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,2,0,0,0,0|1,0,1]=4 16037 B11R0.148 CCCCCOCCNC(C)C 34a_100000224655_100000718602 [0,2,0,0,0,0|2,0,0]=4 16038 B11R0.148 CCCCCOCCOC(C)C 34a_100000210253_100000211751 [0,2,0,0,0,0|2,0,0]=4 16039 B11R0.148 CCCCCOCCOC(C)C 34a_100000211219_100000718602 [0,2,0,0,0,0|2,0,0]=4 16040 B11R0.148 CCCCCOCCOC(C)C 34a_100011215259_100000210206 [0,2,0,0,0,0|2,0,0]=4 16041 B11R0.148 CCCCCOCCOC(C)C 7a_100000210253_100000211751 [0,2,0,0,0,0|2,0,0]=4 16042 B11R0.148 CCCCCOCCOC(C)C 7a_100000211219_100000210326 [0,2,0,0,0,0|2,0,0]=4 16043 B11R0.148 CCCCCOCCOC(C)C 7a_100011215259_100000210206 [0,2,0,0,0,0|2,0,0]=4 16044 B11R0.148 CCCCCOCCSC(C)C 34a_100000210253_100000730970 [0,2,0,0,0,0|2,0,0]=4 16045 B11R0.148 CCCCCOCCSC(C)C 34a_200011212901_100000718602 [0,2,0,0,0,0|2,0,0]=4 16046 B11R0.148 CCCCCOCCSC(C)C 7a_100000210253_100000730970 [0,2,0,0,0,0|2,0,0]=4 16047 B11R0.148 CCCCCOCCSC(C)C 7a_200011212901_100000210326 [0,2,0,0,0,0|2,0,0]=4 16048 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,2,0,0,0,0|0,0,2]=4 16049 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,2,0,0,0,0|0,0,2]=4 16050 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,2,0,0,0,0|0,0,2]=4 16051 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,2,0,0,0,0|0,0,2]=4 16052 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [0,2,0,0,0,0|1,0,0]=3 16053 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [0,2,0,0,0,0|1,0,0]=3 16054 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,2,0,0,0,0|0,0,0]=2 16055 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,2,0,0,0,0|0,0,0]=2 16056 B11R0.148 CCCCCSCCCN(C)C 62a_100000210326_100000757444 [0,2,0,0,0,0|2,0,0]=4 16057 B11R0.148 CCCCCSCCOC(C)C 62a_100000210326_100000211751 [0,2,0,0,0,0|2,0,0]=4 16058 B11R0.148 CCCCCSCCOC(C)C 62a_100000211751_100000210326 [0,2,0,0,0,0|2,0,0]=4 16059 B11R0.148 CCCCCSCCSC(C)C 62a_100000210326_100000730970 [0,2,0,0,0,0|2,0,0]=4 16060 B11R0.148 CCCCCSCCSC(C)C 62a_100000730970_100000210326 [0,2,0,0,0,0|2,0,0]=4 16061 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [0,2,0,0,0,0|1,0,0]=3 16062 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [0,2,0,0,0,0|1,0,0]=3 16063 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,2,0,0,0,0|0,0,2]=4 16064 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,2,0,0,0,0|0,0,2]=4 16065 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [0,2,0,0,0,0|1,0,0]=3 16066 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [0,2,0,0,0,0|1,0,0]=3 16067 B11R0.148 CCCCNCCCOC(C)C 2230a_100000737246_100000210211 [0,2,0,0,0,0|2,0,0]=4 16068 B11R0.148 CCCCNCCCOC(C)C 34a_100000737246_100000210210 [0,2,0,0,0,0|2,0,0]=4 16069 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,2,0,0,0,0|1,0,1]=4 16070 B11R0.148 CCCCNCCOCC(F)F 2230a_100000102301_200012177212 [0,2,0,0,0,0|2,0,0]=4 16071 B11R0.148 CCCCNCCOCC(F)F 7a_106832991798_200012177212 [0,2,0,0,0,0|2,0,0]=4 16072 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [0,2,0,0,0,0|1,0,0]=3 16073 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [0,2,0,0,0,0|1,0,0]=3 16074 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,2,0,0,0,0|0,0,2]=4 16075 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,2,0,0,0,0|0,0,2]=4 16076 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,2,0,0,0,0|0,0,2]=4 16077 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,2,0,0,0,0|0,0,2]=4 16078 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [0,2,0,0,0,0|1,0,0]=3 16079 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [0,2,0,0,0,0|1,0,0]=3 16080 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [0,2,0,0,0,0|1,0,0]=3 16081 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [0,2,0,0,0,0|1,0,0]=3 16082 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,2,0,0,0,0|1,0,1]=4 16083 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,2,0,0,0,0|1,0,1]=4 16084 B11R0.148 CCCCOCCCNC(C)C 2230a_200000211371_100000210206 [0,2,0,0,0,0|2,0,0]=4 16085 B11R0.148 CCCCOCCCNC(C)C 34a_100000182298_100000210210 [0,2,0,0,0,0|2,0,0]=4 16086 B11R0.148 CCCCOCCCNC(C)C 34a_200000211371_100000210206 [0,2,0,0,0,0|2,0,0]=4 16087 B11R0.148 CCCCOCCCOC(C)C 34a_200011215613_100000210206 [0,2,0,0,0,0|2,0,0]=4 16088 B11R0.148 CCCCOCCCOC(C)C 7a_200011215613_100000210206 [0,2,0,0,0,0|2,0,0]=4 16089 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,2,0,0,0,0|1,0,1]=4 16090 B11R0.148 CCCCOCCNCC(C)C 2230a_100000210953_100000743108 [0,2,0,0,0,0|2,0,0]=4 16091 B11R0.148 CCCCOCCNCC(C)C 34a_100000210953_100000743108 [0,2,0,0,0,0|2,0,0]=4 16092 B11R0.148 CCCCOCCNCC(C)C 34a_100015185251_100000210210 [0,2,0,0,0,0|2,0,0]=4 16093 B11R0.148 CCCCOCCNCC(C)O 2230a_100000210904_100000743108 [0,2,0,0,0,0|1,0,0]=3 16094 B11R0.148 CCCCOCCNCC(C)O 34a_100000210904_100000743108 [0,2,0,0,0,0|1,0,0]=3 16095 B11R0.148 CCCCOCCNCC(F)F 34a_100000765723_100000743108 [0,2,0,0,0,0|2,0,0]=4 16096 B11R0.148 CCCCOCCOCC(C)Br 34a_100012180447_100000743108 [0,2,0,0,0,0|2,0,0]=4 16097 B11R0.148 CCCCOCCOCC(C)C 34a_100000210238_100000210624 [0,2,0,0,0,0|2,0,0]=4 16098 B11R0.148 CCCCOCCOCC(C)C 34a_100000210257_100000743108 [0,2,0,0,0,0|2,0,0]=4 16099 B11R0.148 CCCCOCCOCC(C)C 34a_100000703358_100000210210 [0,2,0,0,0,0|2,0,0]=4 16100 B11R0.148 CCCCOCCOCC(C)C 7a_100000210238_100000210760 [0,2,0,0,0,0|2,0,0]=4 16101 B11R0.148 CCCCOCCOCC(C)C 7a_100000703358_100000210211 [0,2,0,0,0,0|2,0,0]=4 16102 B11R0.148 CCCCOCCOCC(C)F 34a_100015925927_100000743108 [0,2,0,0,0,0|2,0,0]=4 16103 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [0,2,0,0,0,0|1,0,0]=3 16104 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [0,2,0,0,0,0|1,0,0]=3 16105 B11R0.148 CCCCOCCOCC(F)F 34a_100000210227_200012177212 [0,2,0,0,0,0|2,0,0]=4 16106 B11R0.148 CCCCOCCOCC(F)F 34a_100000210238_100011934356 [0,2,0,0,0,0|2,0,0]=4 16107 B11R0.148 CCCCOCCOCC(F)F 34a_100000704375_100000210210 [0,2,0,0,0,0|2,0,0]=4 16108 B11R0.148 CCCCOCCOCC(F)F 34a_100000743014_100000743108 [0,2,0,0,0,0|2,0,0]=4 16109 B11R0.148 CCCCOCCOCC(F)F 7a_100000210227_200012177212 [0,2,0,0,0,0|2,0,0]=4 16110 B11R0.148 CCCCOCCOCC(F)F 7a_100000210238_100011934356 [0,2,0,0,0,0|2,0,0]=4 16111 B11R0.148 CCCCOCCOCC(F)F 7a_100000704375_100000210211 [0,2,0,0,0,0|2,0,0]=4 16112 B11R0.148 CCCCOCCOC[C@@H](C)Cl 34a_100016084084_100000743108 [0,2,0,0,0,0|2,0,0]=4 16113 B11R0.148 CCCCOCCOC[C@@H](C)N 34a_100000737577_100000743108 [0,2,0,0,0,0|2,0,0]=4 16114 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [0,2,0,0,0,0|1,0,0]=3 16115 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [0,2,0,0,0,0|1,0,0]=3 16116 B11R0.148 CCCCOCCSCC(C)C 34a_200000230437_100000210210 [0,2,0,0,0,0|2,0,0]=4 16117 B11R0.148 CCCCOCCSCC(C)C 62a_100000210624_100000743108 [0,2,0,0,0,0|2,0,0]=4 16118 B11R0.148 CCCCOCCSCC(C)C 62a_100000743108_100000210760 [0,2,0,0,0,0|2,0,0]=4 16119 B11R0.148 CCCCOCCSCC(C)C 7a_200000230437_100000210211 [0,2,0,0,0,0|2,0,0]=4 16120 B11R0.148 CCCCOCCSCC(C)O 62a_100000743108_100011218427 [0,2,0,0,0,0|1,0,0]=3 16121 B11R0.148 CCCCOCCSCC(C)O 62a_100011218427_100000743108 [0,2,0,0,0,0|1,0,0]=3 16122 B11R0.148 CCCCOCCSCC(F)F 62a_100000743108_100011934356 [0,2,0,0,0,0|2,0,0]=4 16123 B11R0.148 CCCCOCCSCC(F)F 62a_100011934356_100000743108 [0,2,0,0,0,0|2,0,0]=4 16124 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100000743108_100009817552 [0,2,0,0,0,0|1,0,0]=3 16125 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100009817552_100000743108 [0,2,0,0,0,0|1,0,0]=3 16126 B11R0.148 CCCCOCNCCC(C)O 2230a_200000755665_100011995733 [0,2,0,0,0,0|1,0,0]=3 16127 B11R0.148 CCCCOCOCCC(C)Br 34a_100009893172_100011995733 [0,2,0,0,0,0|2,0,0]=4 16128 B11R0.148 CCCCOCOCCC(C)C 34a_100000210254_100011995733 [0,2,0,0,0,0|2,0,0]=4 16129 B11R0.148 CCCCOCOCCC(F)F 34a_100103093639_100011995733 [0,2,0,0,0,0|2,0,0]=4 16130 B11R0.148 CCCCOCOCC[C@@H](C)N 34a_100000706166_100011995733 [0,2,0,0,0,0|2,0,0]=4 16131 B11R0.148 CCCCOCSCCC(C)C 62a_100000210312_100011995733 [0,2,0,0,0,0|2,0,0]=4 16132 B11R0.148 CCCCOCSCCC(C)C 62a_100011995733_100000210312 [0,2,0,0,0,0|2,0,0]=4 16133 B11R0.148 CCCCOCSCCC(C)O 62a_100011995733_100012276601 [0,2,0,0,0,0|1,0,0]=3 16134 B11R0.148 CCCCOCSCCC(C)O 62a_100012276601_100011995733 [0,2,0,0,0,0|1,0,0]=3 16135 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [0,2,0,0,0,0|1,0,0]=3 16136 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [0,2,0,0,0,0|1,0,0]=3 16137 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,2,0,0,0,0|0,0,2]=4 16138 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,2,0,0,0,0|0,0,2]=4 16139 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [0,2,0,0,0,0|1,0,0]=3 16140 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [0,2,0,0,0,0|1,0,0]=3 16141 B11R0.148 CCCCSCCCCN(C)C 62a_100000210211_100000690147 [0,2,0,0,0,0|2,0,0]=4 16142 B11R0.148 CCCCSCCNCC(C)C 2230a_100025743550_100000210760 [0,2,0,0,0,0|2,0,0]=4 16143 B11R0.148 CCCCSCCNCC(C)C 270004a_100025743550_100000210432 [0,2,0,0,0,0|2,0,0]=4 16144 B11R0.148 CCCCSCCNCC(C)O 2230a_100025743550_100011218427 [0,2,0,0,0,0|1,0,0]=3 16145 B11R0.148 CCCCSCCNCC(F)F 2230a_100025743550_100011934356 [0,2,0,0,0,0|2,0,0]=4 16146 B11R0.148 CCCCSCCNC[C@@H](C)O 2230a_100025743550_100009817552 [0,2,0,0,0,0|1,0,0]=3 16147 B11R0.148 CCCCSCCOCC(C)C 34a_200000230436_100000210624 [0,2,0,0,0,0|2,0,0]=4 16148 B11R0.148 CCCCSCCOCC(C)C 7a_200000230436_100000210760 [0,2,0,0,0,0|2,0,0]=4 16149 B11R0.148 CCCCSCCOCC(C)O 34a_200000230436_100011218427 [0,2,0,0,0,0|1,0,0]=3 16150 B11R0.148 CCCCSCCOCC(C)O 7a_200000230436_100011218427 [0,2,0,0,0,0|1,0,0]=3 16151 B11R0.148 CCCCSCCOCC(F)F 34a_200000230436_100011934356 [0,2,0,0,0,0|2,0,0]=4 16152 B11R0.148 CCCCSCCOCC(F)F 62a_100000210211_200012177212 [0,2,0,0,0,0|2,0,0]=4 16153 B11R0.148 CCCCSCCOCC(F)F 62a_200012177212_100000210210 [0,2,0,0,0,0|2,0,0]=4 16154 B11R0.148 CCCCSCCOCC(F)F 7a_200000230436_100011934356 [0,2,0,0,0,0|2,0,0]=4 16155 B11R0.148 CCCCSCCOC[C@@H](C)O 34a_200000230436_100009817552 [0,2,0,0,0,0|1,0,0]=3 16156 B11R0.148 CCCCSCCOC[C@@H](C)O 7a_200000230436_100009817552 [0,2,0,0,0,0|1,0,0]=3 16157 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [0,2,0,0,0,0|1,0,0]=3 16158 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [0,2,0,0,0,0|1,0,0]=3 16159 B11R0.148 CCCNCCCOCC(C)C 2230a_100000205972_100000210303 [0,2,0,0,0,0|2,0,0]=4 16160 B11R0.148 CCCNCCCOCC(C)C 34a_100000205972_100000210303 [0,2,0,0,0,0|2,0,0]=4 16161 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [0,2,0,0,0,0|1,0,0]=3 16162 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,2,0,0,0,0|0,0,2]=4 16163 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,2,0,0,0,0|0,0,2]=4 16164 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,2,0,0,0,0|0,0,2]=4 16165 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,2,0,0,0,0|0,0,2]=4 16166 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [0,2,0,0,0,0|1,0,0]=3 16167 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [0,2,0,0,0,0|1,0,0]=3 16168 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [0,2,0,0,0,0|1,0,0]=3 16169 B11R0.148 CCCOCCCCNC(C)C 34a_100011521146_100000210303 [0,2,0,0,0,0|2,0,0]=4 16170 B11R0.148 CCCOCCCNCC(C)C 2230a_100011217757_100000210760 [0,2,0,0,0,0|2,0,0]=4 16171 B11R0.148 CCCOCCCNCC(C)C 270004a_100011217757_100000210432 [0,2,0,0,0,0|2,0,0]=4 16172 B11R0.148 CCCOCCCNCC(C)C 34a_100011217757_100000210624 [0,2,0,0,0,0|2,0,0]=4 16173 B11R0.148 CCCOCCCNCC(C)O 2230a_100011217757_100011218427 [0,2,0,0,0,0|1,0,0]=3 16174 B11R0.148 CCCOCCCNCC(C)O 34a_100011217757_100011218427 [0,2,0,0,0,0|1,0,0]=3 16175 B11R0.148 CCCOCCCNCC(F)F 2230a_100011217757_100011934356 [0,2,0,0,0,0|2,0,0]=4 16176 B11R0.148 CCCOCCCNCC(F)F 34a_100011217757_100011934356 [0,2,0,0,0,0|2,0,0]=4 16177 B11R0.148 CCCOCCCNC[C@@H](C)O 2230a_100011217757_100009817552 [0,2,0,0,0,0|1,0,0]=3 16178 B11R0.148 CCCOCCCNC[C@@H](C)O 34a_100011217757_100009817552 [0,2,0,0,0,0|1,0,0]=3 16179 B11R0.148 CCCOCCNCCC(C)C 2230a_100161115042_100000210312 [0,2,0,0,0,0|2,0,0]=4 16180 B11R0.148 CCCOCCNCCC(C)C 269862a_100161115042_100000185833 [0,2,0,0,0,0|2,0,0]=4 16181 B11R0.148 CCCOCCNCCC(C)C 34a_100161115042_100000210312 [0,2,0,0,0,0|2,0,0]=4 16182 B11R0.148 CCCOCCNCCC(C)O 2230a_100161115042_100012276601 [0,2,0,0,0,0|1,0,0]=3 16183 B11R0.148 CCCOCCNCCC(C)O 2230a_200000755665_100011215938 [0,2,0,0,0,0|1,0,0]=3 16184 B11R0.148 CCCOCCNCCC(C)O 34a_100161115042_100012276601 [0,2,0,0,0,0|1,0,0]=3 16185 B11R0.148 CCCOCCOCCC(C)Br 34a_100009893172_100011215938 [0,2,0,0,0,0|2,0,0]=4 16186 B11R0.148 CCCOCCOCCC(C)C 34a_100000210254_100011215938 [0,2,0,0,0,0|2,0,0]=4 16187 B11R0.148 CCCOCCOCCC(C)C 34a_100000752267_100000210312 [0,2,0,0,0,0|2,0,0]=4 16188 B11R0.148 CCCOCCOCCC(C)C 7a_100000210254_100011215938 [0,2,0,0,0,0|2,0,0]=4 16189 B11R0.148 CCCOCCOCCC(C)C 7a_100000752267_100000210626 [0,2,0,0,0,0|2,0,0]=4 16190 B11R0.148 CCCOCCOCCC(C)O 34a_100000752267_100012276601 [0,2,0,0,0,0|1,0,0]=3 16191 B11R0.148 CCCOCCOCCC(C)O 7a_100000752267_100012276601 [0,2,0,0,0,0|1,0,0]=3 16192 B11R0.148 CCCOCCOCCC(F)F 34a_100103093639_100011215938 [0,2,0,0,0,0|2,0,0]=4 16193 B11R0.148 CCCOCCOCC[C@@H](C)N 34a_100000706166_100011215938 [0,2,0,0,0,0|2,0,0]=4 16194 B11R0.148 CCCOCCSCCC(C)C 62a_100000210312_100011215938 [0,2,0,0,0,0|2,0,0]=4 16195 B11R0.148 CCCOCCSCCC(C)C 62a_100011215938_100000210312 [0,2,0,0,0,0|2,0,0]=4 16196 B11R0.148 CCCOCCSCCC(C)O 62a_100011215938_100012276601 [0,2,0,0,0,0|1,0,0]=3 16197 B11R0.148 CCCOCCSCCC(C)O 62a_100012276601_100011215938 [0,2,0,0,0,0|1,0,0]=3 16198 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [0,2,0,0,0,0|1,0,0]=3 16199 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [0,2,0,0,0,0|1,0,0]=3 16200 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,2,0,0,0,0|0,0,2]=4 16201 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,2,0,0,0,0|0,0,2]=4 16202 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [0,2,0,0,0,0|1,0,0]=3 16203 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [0,2,0,0,0,0|1,0,0]=3 16204 B11R0.148 CCCSCCNCCC(C)C 2230a_100020603323_100000210312 [0,2,0,0,0,0|2,0,0]=4 16205 B11R0.148 CCCSCCNCCC(C)C 269862a_100020603323_100000185833 [0,2,0,0,0,0|2,0,0]=4 16206 B11R0.148 CCCSCCNCCC(C)O 2230a_100020603323_100012276601 [0,2,0,0,0,0|1,0,0]=3 16207 B11R0.148 CCCSCCOCCC(C)C 34a_200000230433_100000210312 [0,2,0,0,0,0|2,0,0]=4 16208 B11R0.148 CCCSCCOCCC(C)C 7a_200000230433_100000210626 [0,2,0,0,0,0|2,0,0]=4 16209 B11R0.148 CCCSCCOCCC(C)O 34a_200000230433_100012276601 [0,2,0,0,0,0|1,0,0]=3 16210 B11R0.148 CCCSCCOCCC(C)O 7a_200000230433_100012276601 [0,2,0,0,0,0|1,0,0]=3 16211 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [0,2,0,0,0,0|1,0,0]=3 16212 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [0,2,0,0,0,0|1,0,0]=3 16213 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [0,2,0,0,0,0|1,0,0]=3 16214 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [0,2,0,0,0,0|1,0,0]=3 16215 B11R0.148 CCOCCCCCNC(C)C 34a_100011629493_100000210202 [0,2,0,0,0,0|2,0,0]=4 16216 B11R0.148 CCOCCCNCCC(C)C 2230a_100000210961_100000210312 [0,2,0,0,0,0|2,0,0]=4 16217 B11R0.148 CCOCCCNCCC(C)C 269862a_100000210961_100000185833 [0,2,0,0,0,0|2,0,0]=4 16218 B11R0.148 CCOCCCNCCC(C)C 34a_100000210961_100000210312 [0,2,0,0,0,0|2,0,0]=4 16219 B11R0.148 CCOCCCNCCC(C)O 2230a_100000210961_100012276601 [0,2,0,0,0,0|1,0,0]=3 16220 B11R0.148 CCOCCCNCCC(C)O 2230a_200000755665_100012232248 [0,2,0,0,0,0|1,0,0]=3 16221 B11R0.148 CCOCCCNCCC(C)O 34a_100000210961_100012276601 [0,2,0,0,0,0|1,0,0]=3 16222 B11R0.148 CCOCCCOCCC(C)Br 34a_100009893172_100012232248 [0,2,0,0,0,0|2,0,0]=4 16223 B11R0.148 CCOCCCOCCC(C)C 34a_100000210254_100012232248 [0,2,0,0,0,0|2,0,0]=4 16224 B11R0.148 CCOCCCOCCC(C)C 34a_100000757476_100000210312 [0,2,0,0,0,0|2,0,0]=4 16225 B11R0.148 CCOCCCOCCC(C)C 7a_100000210254_100012232248 [0,2,0,0,0,0|2,0,0]=4 16226 B11R0.148 CCOCCCOCCC(C)C 7a_100000757476_100000210626 [0,2,0,0,0,0|2,0,0]=4 16227 B11R0.148 CCOCCCOCCC(C)O 34a_100000757476_100012276601 [0,2,0,0,0,0|1,0,0]=3 16228 B11R0.148 CCOCCCOCCC(C)O 7a_100000757476_100012276601 [0,2,0,0,0,0|1,0,0]=3 16229 B11R0.148 CCOCCCOCCC(F)F 34a_100103093639_100012232248 [0,2,0,0,0,0|2,0,0]=4 16230 B11R0.148 CCOCCCOCC[C@@H](C)N 34a_100000706166_100012232248 [0,2,0,0,0,0|2,0,0]=4 16231 B11R0.148 CCOCCCSCCC(C)C 62a_100000210312_100012232248 [0,2,0,0,0,0|2,0,0]=4 16232 B11R0.148 CCOCCCSCCC(C)C 62a_100012232248_100000210312 [0,2,0,0,0,0|2,0,0]=4 16233 B11R0.148 CCOCCCSCCC(C)O 62a_100012232248_100012276601 [0,2,0,0,0,0|1,0,0]=3 16234 B11R0.148 CCOCCCSCCC(C)O 62a_100012276601_100012232248 [0,2,0,0,0,0|1,0,0]=3 16235 B11R0.148 CCOCCNCCCC(C)C 2230a_102516460346_100011214892 [0,2,0,0,0,0|2,0,0]=4 16236 B11R0.148 CCOCCNCCCC(C)C 2230a_200000737386_100011215890 [0,2,0,0,0,0|2,0,0]=4 16237 B11R0.148 CCOCCNCCCC(C)C 34a_102516460346_100011214892 [0,2,0,0,0,0|2,0,0]=4 16238 B11R0.148 CCOCCNCCCC(C)C 34a_200000737386_100000210147 [0,2,0,0,0,0|2,0,0]=4 16239 B11R0.148 CCOCCNCCCC(C)O 2230a_102516460346_200000718107 [0,2,0,0,0,0|1,0,0]=3 16240 B11R0.148 CCOCCNCCCC(C)O 34a_102516460346_200000718107 [0,2,0,0,0,0|1,0,0]=3 16241 B11R0.148 CCOCCOCCCC(C)C 34a_100000210136_100011214892 [0,2,0,0,0,0|2,0,0]=4 16242 B11R0.148 CCOCCOCCCC(C)C 34a_100000210774_100000210147 [0,2,0,0,0,0|2,0,0]=4 16243 B11R0.148 CCOCCOCCCC(C)C 7a_100000210136_100011214892 [0,2,0,0,0,0|2,0,0]=4 16244 B11R0.148 CCOCCOCCCC(C)C 7a_100000210774_100011215890 [0,2,0,0,0,0|2,0,0]=4 16245 B11R0.148 CCOCCOCCCC(C)O 34a_100000210136_200000718107 [0,2,0,0,0,0|1,0,0]=3 16246 B11R0.148 CCOCCOCCCC(C)O 7a_100000210136_200000718107 [0,2,0,0,0,0|1,0,0]=3 16247 B11R0.148 CCOCCSCCCC(C)C 62a_100000210147_100011214892 [0,2,0,0,0,0|2,0,0]=4 16248 B11R0.148 CCOCCSCCCC(C)C 62a_100011214892_100011215890 [0,2,0,0,0,0|2,0,0]=4 16249 B11R0.148 CCOCCSCCCC(C)O 62a_100000210147_200000718107 [0,2,0,0,0,0|1,0,0]=3 16250 B11R0.148 CCOCCSCCCC(C)O 62a_200000718107_100011215890 [0,2,0,0,0,0|1,0,0]=3 16251 B11R0.148 CCOCSCCCCB(O)O 62a_100000739092_200009817182 [0,2,0,0,0,0|2,0,0]=4 16252 B11R0.148 CCOCSCCCCB(O)O 62a_200009817182_100000739092 [0,2,0,0,0,0|2,0,0]=4 16253 B11R0.148 CCOCSCCCCC(C)C 62a_100000739092_100011216152 [0,2,0,0,0,0|2,0,0]=4 16254 B11R0.148 CCOCSCCCCC(C)C 62a_100011216152_100000739092 [0,2,0,0,0,0|2,0,0]=4 16255 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [0,2,0,0,0,0|1,0,0]=3 16256 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [0,2,0,0,0,0|1,0,0]=3 16257 B11R0.148 CCSCCCOCCC(C)C 34a_100011216438_100000210312 [0,2,0,0,0,0|2,0,0]=4 16258 B11R0.148 CCSCCCOCCC(C)C 7a_100011216438_100000210626 [0,2,0,0,0,0|2,0,0]=4 16259 B11R0.148 CCSCCCOCCC(C)O 34a_100011216438_100012276601 [0,2,0,0,0,0|1,0,0]=3 16260 B11R0.148 CCSCCCOCCC(C)O 7a_100011216438_100012276601 [0,2,0,0,0,0|1,0,0]=3 16261 B11R0.148 CCSCCNCCCC(C)C 2230a_100000106463_100011214892 [0,2,0,0,0,0|2,0,0]=4 16262 B11R0.148 CCSCCNCCCC(C)C 2230a_200000737386_100000757381 [0,2,0,0,0,0|2,0,0]=4 16263 B11R0.148 CCSCCNCCCC(C)C 34a_200000737386_100000757381 [0,2,0,0,0,0|2,0,0]=4 16264 B11R0.148 CCSCCNCCCC(C)O 2230a_100000106463_200000718107 [0,2,0,0,0,0|1,0,0]=3 16265 B11R0.148 CCSCCOCCCC(C)C 34a_100000210774_100000757381 [0,2,0,0,0,0|2,0,0]=4 16266 B11R0.148 CCSCCOCCCC(C)C 34a_100000212035_100011214892 [0,2,0,0,0,0|2,0,0]=4 16267 B11R0.148 CCSCCOCCCC(C)C 7a_100000210774_100000757381 [0,2,0,0,0,0|2,0,0]=4 16268 B11R0.148 CCSCCOCCCC(C)C 7a_100000212035_100011214892 [0,2,0,0,0,0|2,0,0]=4 16269 B11R0.148 CCSCCOCCCC(C)O 34a_100000212035_200000718107 [0,2,0,0,0,0|1,0,0]=3 16270 B11R0.148 CCSCCOCCCC(C)O 7a_100000212035_200000718107 [0,2,0,0,0,0|1,0,0]=3 16271 B11R0.148 CCSCCSCCCC(C)C 62a_100000757381_100011214892 [0,2,0,0,0,0|2,0,0]=4 16272 B11R0.148 CCSCCSCCCC(C)C 62a_100011214892_100000757381 [0,2,0,0,0,0|2,0,0]=4 16273 B11R0.148 CCSCCSCCCC(C)O 62a_100000757381_200000718107 [0,2,0,0,0,0|1,0,0]=3 16274 B11R0.148 CCSCCSCCCC(C)O 62a_200000718107_100000757381 [0,2,0,0,0,0|1,0,0]=3 16275 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [0,2,0,0,0,0|0,0,0]=2 16276 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [0,2,0,0,0,0|0,0,0]=2 16277 B11R0.148 CN(C)CCCCSCCCF 62a_100011934791_100000690147 [0,2,0,0,0,0|2,0,0]=4 16278 B11R0.148 CN(C)CCCCSCCCO 62a_100011215043_100000690147 [0,2,0,0,0,0|1,0,0]=3 16279 B11R0.148 CN(C)CCCOCCCCCl 7a_100000210776_100000757444 [0,2,0,0,0,0|2,0,0]=4 16280 B11R0.148 CN(C)CCCOCCCCF 7a_100011995726_100000757444 [0,2,0,0,0,0|2,0,0]=4 16281 B11R0.148 CN(C)CCCSCCCCF 62a_100000729493_100000757444 [0,2,0,0,0,0|2,0,0]=4 16282 B11R0.148 CN(C)CCCSCCCCO 62a_100000210776_100000757444 [0,2,0,0,0,0|1,0,0]=3 16283 B11R0.148 CN(C)CCOCCCCCBr 7a_100000746331_100000755713 [0,2,0,0,0,0|2,0,0]=4 16284 B11R0.148 CN(C)CCOCCCCCCl 7a_100000746330_100000755713 [0,2,0,0,0,0|2,0,0]=4 16285 B11R0.148 CN(C)CCOCCCCCI 7a_200012148887_100000755713 [0,2,0,0,0,0|2,0,0]=4 16286 B11R0.148 CN(C)CCOCCOCCO 2230a_100102631434_100000032323 [0,2,0,0,0,0|2,0,0]=4 16287 B11R0.148 CN(C)CCOCCOCCO 2230a_200014138305_200000210301 [0,2,0,0,0,0|2,0,0]=4 16288 B11R0.148 CN(C)CCOCCOCCO 269982a_100102631434_100000032323 [0,2,0,0,0,0|2,0,0]=4 16289 B11R0.148 CN(C)CCOCCOCCO 269982a_200014138305_200000210301 [0,2,0,0,0,0|2,0,0]=4 16290 B11R0.148 CN(C)CCOCCOCCO 34a_200014138305_200000210301 [0,2,0,0,0,0|2,0,0]=4 16291 B11R0.148 CN(C)CCSCCCCCF 62a_100000729378_100000755713 [0,2,0,0,0,0|2,0,0]=4 16292 B11R0.148 CN(C)CCSCCCCCO 62a_100000746330_100000755713 [0,2,0,0,0,0|1,0,0]=3 16293 B11R0.148 CN(C)CCSCCOCCO 62a_100011215305_100000755713 [0,2,0,0,0,0|2,0,0]=4 16294 B11R0.148 CN([13CH3])CCOCCOCCO 2230a_200014138305_200025704644 [0,2,0,0,0,0|2,0,0]=4 16295 B11R0.148 CN([13CH3])CCOCCOCCO 269982a_200014138305_200025704644 [0,2,0,0,0,0|2,0,0]=4 16296 B11R0.148 CN([13CH3])CCOCCOCCO 34a_200014138305_200025704644 [0,2,0,0,0,0|2,0,0]=4 16297 B11R0.148 CNCCCCCOCC(C)C 34a_100000722520_100000210624 [0,2,0,0,0,0|2,0,0]=4 16298 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [0,2,0,0,0,0|1,0,0]=3 16299 B11R0.148 CNCCCCCOCC(F)F 34a_100000722520_100011934356 [0,2,0,0,0,0|2,0,0]=4 16300 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [0,2,0,0,0,0|1,0,0]=3 16301 B11R0.148 CNCCCOCCCC(C)C 34a_100000213112_100011214892 [0,2,0,0,0,0|2,0,0]=4 16302 B11R0.148 CNCCCOCCCC(C)O 34a_100000213112_200000718107 [0,2,0,0,0,0|1,0,0]=3 16303 B11R0.148 CNCCOCCOCC(C)O 34a_100000228057_100011218427 [0,2,0,0,0,0|2,0,0]=4 16304 B11R0.148 CNCCOCCOC[C@@H](C)O 34a_100000228057_100009817552 [0,2,0,0,0,0|2,0,0]=4 16305 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [0,2,0,0,0,0|0,0,0]=2 16306 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [0,2,0,0,0,0|0,0,0]=2 16307 B11R0.148 COCCCCCCNC(C)C 2230a_100138425928_100011998445 [0,2,0,0,0,0|1,0,0]=3 16308 B11R0.148 COCCCCCCNC(C)C 34a_100138425928_100011998445 [0,2,0,0,0,0|1,0,0]=3 16309 B11R0.148 COCCCCCCOC(C)C 34a_100000212225_100011998445 [0,2,0,0,0,0|1,0,0]=3 16310 B11R0.148 COCCCCCCOC(C)C 34a_200012092642_100000210206 [0,2,0,0,0,0|1,0,0]=3 16311 B11R0.148 COCCCCCCOC(C)C 7a_200012092642_100000210206 [0,2,0,0,0,0|1,0,0]=3 16312 B11R0.148 COCCCCCCSC(C)C 62a_100000210206_100011998445 [0,2,0,0,0,0|1,0,0]=3 16313 B11R0.148 COCCCCCCSC(C)C 62a_100011998445_100000210206 [0,2,0,0,0,0|1,0,0]=3 16314 B11R0.148 COCCCCCNCC(C)C 2230a_100000747528_100000210760 [0,2,0,0,0,0|1,0,0]=3 16315 B11R0.148 COCCCCCNCC(C)C 270004a_100000747528_100000210432 [0,2,0,0,0,0|1,0,0]=3 16316 B11R0.148 COCCCCCNCC(C)C 34a_100000747528_100000210624 [0,2,0,0,0,0|1,0,0]=3 16317 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [0,2,0,0,0,0|1,0,0]=3 16318 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [0,2,0,0,0,0|1,0,0]=3 16319 B11R0.148 COCCCCCNCC(F)F 2230a_100000747528_100011934356 [0,2,0,0,0,0|2,0,0]=4 16320 B11R0.148 COCCCCCNCC(F)F 34a_100000747528_100011934356 [0,2,0,0,0,0|2,0,0]=4 16321 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [0,2,0,0,0,0|1,0,0]=3 16322 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [0,2,0,0,0,0|1,0,0]=3 16323 B11R0.148 COCCCCNCCC(C)O 2230a_200000755665_100000730899 [0,2,0,0,0,0|1,0,0]=3 16324 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,2,0,0,0,0|1,0,1]=4 16325 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,2,0,0,0,0|1,0,1]=4 16326 B11R0.148 COCCCCOCCC(C)Br 34a_100009893172_100000755781 [0,2,0,0,0,0|1,0,0]=3 16327 B11R0.148 COCCCCOCCC(C)C 34a_100000210254_100000755781 [0,2,0,0,0,0|1,0,0]=3 16328 B11R0.148 COCCCCOCCC(C)C 34a_100000740925_100000210312 [0,2,0,0,0,0|1,0,0]=3 16329 B11R0.148 COCCCCOCCC(C)C 7a_100000210254_100000730899 [0,2,0,0,0,0|1,0,0]=3 16330 B11R0.148 COCCCCOCCC(C)O 34a_100000740925_100012276601 [0,2,0,0,0,0|1,0,0]=3 16331 B11R0.148 COCCCCOCCC(F)F 34a_100103093639_100000755781 [0,2,0,0,0,0|2,0,0]=4 16332 B11R0.148 COCCCCOCC[C@@H](C)N 34a_100000706166_100000755781 [0,2,0,0,0,0|1,0,0]=3 16333 B11R0.148 COCCCCOCOC(C)C 34a_100000740925_100000709892 [0,2,0,0,0,0|2,0,0]=4 16334 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,2,0,0,0,0|1,0,1]=4 16335 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,2,0,0,0,0|1,0,1]=4 16336 B11R0.148 COCCCCSCCC(C)C 62a_100000210312_100000730899 [0,2,0,0,0,0|1,0,0]=3 16337 B11R0.148 COCCCCSCCC(C)C 62a_100000730899_100000210312 [0,2,0,0,0,0|1,0,0]=3 16338 B11R0.148 COCCCCSCCC(C)O 62a_100000730899_100012276601 [0,2,0,0,0,0|1,0,0]=3 16339 B11R0.148 COCCCCSCCC(C)O 62a_100012276601_100000730899 [0,2,0,0,0,0|1,0,0]=3 16340 B11R0.148 COCCCCSCCN(C)C 62a_100000730899_100000755713 [0,2,0,0,0,0|2,0,0]=4 16341 B11R0.148 COCCCCSCOC(C)C 62a_100000709892_100000730899 [0,2,0,0,0,0|2,0,0]=4 16342 B11R0.148 COCCCCSCOC(C)C 62a_100000730899_100000709892 [0,2,0,0,0,0|2,0,0]=4 16343 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,2,0,0,0,0|1,0,1]=4 16344 B11R0.148 COCCCNCCCC(C)C 2230a_200000737386_100000740836 [0,2,0,0,0,0|1,0,0]=3 16345 B11R0.148 COCCCNCCCC(C)C 34a_100150723488_100011214892 [0,2,0,0,0,0|1,0,0]=3 16346 B11R0.148 COCCCNCCCC(C)C 34a_200000737386_100000740836 [0,2,0,0,0,0|1,0,0]=3 16347 B11R0.148 COCCCNCCCC(C)O 34a_100150723488_200000718107 [0,2,0,0,0,0|1,0,0]=3 16348 B11R0.148 COCCCNCCCS(=O)C 2230a_200000753449_100000740836 [0,2,0,0,0,0|2,0,0]=4 16349 B11R0.148 COCCCNCCOC(C)C 2230a_100000701111_100000740836 [0,2,0,0,0,0|2,0,0]=4 16350 B11R0.148 COCCCNCCOC(C)C 34a_100000701111_100000740836 [0,2,0,0,0,0|2,0,0]=4 16351 B11R0.148 COCCCNCCOC(C)C 34a_100150723488_100000211751 [0,2,0,0,0,0|2,0,0]=4 16352 B11R0.148 COCCCNCCSC(C)C 2230a_100000731138_100000740836 [0,2,0,0,0,0|2,0,0]=4 16353 B11R0.148 COCCCNCCSC(C)C 34a_100000731138_100000740836 [0,2,0,0,0,0|2,0,0]=4 16354 B11R0.148 COCCCNCCSC(C)C 34a_100150723488_100000730970 [0,2,0,0,0,0|2,0,0]=4 16355 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,2,0,0,0,0|1,0,1]=4 16356 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,2,0,0,0,0|1,0,1]=4 16357 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,2,0,0,0,0|1,0,1]=4 16358 B11R0.148 COCCCOCCCC(C)C 34a_100000210774_100000740836 [0,2,0,0,0,0|1,0,0]=3 16359 B11R0.148 COCCCOCCCC(C)C 34a_100000740835_100011214892 [0,2,0,0,0,0|1,0,0]=3 16360 B11R0.148 COCCCOCCCC(C)C 7a_100000210774_100000740836 [0,2,0,0,0,0|1,0,0]=3 16361 B11R0.148 COCCCOCCCC(C)O 34a_100000740835_200000718107 [0,2,0,0,0,0|1,0,0]=3 16362 B11R0.148 COCCCOCCNC(C)C 34a_100000224655_100000740836 [0,2,0,0,0,0|2,0,0]=4 16363 B11R0.148 COCCCOCCOC(C)C 34a_100000211219_100000740836 [0,2,0,0,0,0|2,0,0]=4 16364 B11R0.148 COCCCOCCOC(C)C 34a_100000740835_100000211751 [0,2,0,0,0,0|2,0,0]=4 16365 B11R0.148 COCCCOCCOC(C)C 7a_100000211219_100000740836 [0,2,0,0,0,0|2,0,0]=4 16366 B11R0.148 COCCCOCCSC(C)C 34a_100000740835_100000730970 [0,2,0,0,0,0|2,0,0]=4 16367 B11R0.148 COCCCOCCSC(C)C 34a_200011212901_100000740836 [0,2,0,0,0,0|2,0,0]=4 16368 B11R0.148 COCCCOCCSC(C)C 7a_200011212901_100000740836 [0,2,0,0,0,0|2,0,0]=4 16369 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,2,0,0,0,0|1,0,1]=4 16370 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,2,0,0,0,0|1,0,1]=4 16371 B11R0.148 COCCCSCCCC(C)C 62a_100000709357_100011214892 [0,2,0,0,0,0|1,0,0]=3 16372 B11R0.148 COCCCSCCCC(C)C 62a_100011214892_100000709357 [0,2,0,0,0,0|1,0,0]=3 16373 B11R0.148 COCCCSCCCC(C)O 62a_100000709357_200000718107 [0,2,0,0,0,0|1,0,0]=3 16374 B11R0.148 COCCCSCCCC(C)O 62a_200000718107_100000709357 [0,2,0,0,0,0|1,0,0]=3 16375 B11R0.148 COCCCSCCCN(C)C 62a_100000709357_100000757444 [0,2,0,0,0,0|2,0,0]=4 16376 B11R0.148 COCCCSCCOC(C)C 62a_100000211751_100000709357 [0,2,0,0,0,0|2,0,0]=4 16377 B11R0.148 COCCCSCCOC(C)C 62a_100000709357_100000211751 [0,2,0,0,0,0|2,0,0]=4 16378 B11R0.148 COCCCSCCSC(C)C 62a_100000709357_100000730970 [0,2,0,0,0,0|2,0,0]=4 16379 B11R0.148 COCCCSCCSC(C)C 62a_100000730970_100000709357 [0,2,0,0,0,0|2,0,0]=4 16380 B11R0.148 COCCNCCCCB(O)O 2230a_100000209980_200009817182 [0,2,0,0,0,0|2,0,0]=4 16381 B11R0.148 COCCNCCCCC(C)C 2230a_100000209980_100011216152 [0,2,0,0,0,0|1,0,0]=3 16382 B11R0.148 COCCNCCCOC(C)C 2230a_100000737246_100011201679 [0,2,0,0,0,0|2,0,0]=4 16383 B11R0.148 COCCNCCCOC(C)C 34a_100000737246_100011201679 [0,2,0,0,0,0|2,0,0]=4 16384 B11R0.148 COCCOCCCCB(O)O 34a_100000210237_200009817182 [0,2,0,0,0,0|2,0,0]=4 16385 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,2,0,0,0,0|1,0,1]=4 16386 B11R0.148 COCCOCCCCC(C)C 34a_100000210237_100011216152 [0,2,0,0,0,0|1,0,0]=3 16387 B11R0.148 COCCOCCCCC(C)C 34a_100011214890_100011201679 [0,2,0,0,0,0|1,0,0]=3 16388 B11R0.148 COCCOCCCCC(C)C 7a_100011214890_100000233755 [0,2,0,0,0,0|1,0,0]=3 16389 B11R0.148 COCCOCCCNC(C)C 2230a_100000206027_100000210206 [0,2,0,0,0,0|2,0,0]=4 16390 B11R0.148 COCCOCCCNC(C)C 2230a_100138425928_100011216529 [0,2,0,0,0,0|2,0,0]=4 16391 B11R0.148 COCCOCCCNC(C)C 34a_100000182298_100011201679 [0,2,0,0,0,0|2,0,0]=4 16392 B11R0.148 COCCOCCCNC(C)C 34a_100000206027_100000210206 [0,2,0,0,0,0|2,0,0]=4 16393 B11R0.148 COCCOCCCNC(C)C 34a_100138425928_100011216529 [0,2,0,0,0,0|2,0,0]=4 16394 B11R0.148 COCCOCCCOC(C)C 34a_100000212225_100011216529 [0,2,0,0,0,0|2,0,0]=4 16395 B11R0.148 COCCOCCCSC(C)C 62a_100000210206_100011216529 [0,2,0,0,0,0|2,0,0]=4 16396 B11R0.148 COCCOCCCSC(C)C 62a_100011216529_100000210206 [0,2,0,0,0,0|2,0,0]=4 16397 B11R0.148 COCCOCCNCC(C)C 2230a_100000210953_100000695917 [0,2,0,0,0,0|2,0,0]=4 16398 B11R0.148 COCCOCCNCC(C)C 2230a_100000745349_100000210760 [0,2,0,0,0,0|2,0,0]=4 16399 B11R0.148 COCCOCCNCC(C)C 270004a_100000745349_100000210432 [0,2,0,0,0,0|2,0,0]=4 16400 B11R0.148 COCCOCCNCC(C)C 34a_100000210953_100000695917 [0,2,0,0,0,0|2,0,0]=4 16401 B11R0.148 COCCOCCNCC(C)C 34a_100000745349_100000210624 [0,2,0,0,0,0|2,0,0]=4 16402 B11R0.148 COCCOCCNCC(C)C 34a_100015185251_100011201679 [0,2,0,0,0,0|2,0,0]=4 16403 B11R0.148 COCCOCCNCC(C)O 2230a_100000210904_100000695917 [0,2,0,0,0,0|2,0,0]=4 16404 B11R0.148 COCCOCCNCC(C)O 2230a_100000745349_100011218427 [0,2,0,0,0,0|2,0,0]=4 16405 B11R0.148 COCCOCCNCC(C)O 34a_100000210904_100000695917 [0,2,0,0,0,0|2,0,0]=4 16406 B11R0.148 COCCOCCNCC(C)O 34a_100000745349_100011218427 [0,2,0,0,0,0|2,0,0]=4 16407 B11R0.148 COCCOCCNC[C@@H](C)O 2230a_100000745349_100009817552 [0,2,0,0,0,0|2,0,0]=4 16408 B11R0.148 COCCOCCNC[C@@H](C)O 34a_100000745349_100009817552 [0,2,0,0,0,0|2,0,0]=4 16409 B11R0.148 COCCOCCOCC(C)Br 34a_100012180447_100000695917 [0,2,0,0,0,0|2,0,0]=4 16410 B11R0.148 COCCOCCOCC(C)C 34a_100000210257_100000695917 [0,2,0,0,0,0|2,0,0]=4 16411 B11R0.148 COCCOCCOCC(C)C 34a_100000703358_100011201679 [0,2,0,0,0,0|2,0,0]=4 16412 B11R0.148 COCCOCCOCC(C)C 34a_100011215163_100000210624 [0,2,0,0,0,0|2,0,0]=4 16413 B11R0.148 COCCOCCOCC(C)C 7a_100000703358_100000233755 [0,2,0,0,0,0|2,0,0]=4 16414 B11R0.148 COCCOCCOCC(C)C 7a_100011215163_100000210760 [0,2,0,0,0,0|2,0,0]=4 16415 B11R0.148 COCCOCCOCC(C)F 34a_100015925927_100000695917 [0,2,0,0,0,0|2,0,0]=4 16416 B11R0.148 COCCOCCOCC(C)O 34a_100011215163_100011218427 [0,2,0,0,0,0|2,0,0]=4 16417 B11R0.148 COCCOCCOCC(C)O 7a_100011215163_100011218427 [0,2,0,0,0,0|2,0,0]=4 16418 B11R0.148 COCCOCCOC[C@@H](C)Cl 34a_100016084084_100000695917 [0,2,0,0,0,0|2,0,0]=4 16419 B11R0.148 COCCOCCOC[C@@H](C)N 34a_100000737577_100000695917 [0,2,0,0,0,0|2,0,0]=4 16420 B11R0.148 COCCOCCOC[C@@H](C)O 34a_100011215163_100009817552 [0,2,0,0,0,0|2,0,0]=4 16421 B11R0.148 COCCOCCOC[C@@H](C)O 7a_100011215163_100009817552 [0,2,0,0,0,0|2,0,0]=4 16422 B11R0.148 COCCOCCSCC(C)C 34a_200000230437_100011201679 [0,2,0,0,0,0|2,0,0]=4 16423 B11R0.148 COCCOCCSCC(C)C 62a_100000210624_100000695917 [0,2,0,0,0,0|2,0,0]=4 16424 B11R0.148 COCCOCCSCC(C)C 62a_100000695917_100000210760 [0,2,0,0,0,0|2,0,0]=4 16425 B11R0.148 COCCOCCSCC(C)C 7a_200000230437_100000233755 [0,2,0,0,0,0|2,0,0]=4 16426 B11R0.148 COCCOCCSCC(C)O 62a_100000695917_100011218427 [0,2,0,0,0,0|2,0,0]=4 16427 B11R0.148 COCCOCCSCC(C)O 62a_100011218427_100000695917 [0,2,0,0,0,0|2,0,0]=4 16428 B11R0.148 COCCOCCSC[C@@H](C)O 62a_100000695917_100009817552 [0,2,0,0,0,0|2,0,0]=4 16429 B11R0.148 COCCOCCSC[C@@H](C)O 62a_100009817552_100000695917 [0,2,0,0,0,0|2,0,0]=4 16430 B11R0.148 COCCOCNCCC(C)O 2230a_200000755665_100000231047 [0,2,0,0,0,0|2,0,0]=4 16431 B11R0.148 COCCOCSCCC(C)C 62a_100000210312_100000231047 [0,2,0,0,0,0|2,0,0]=4 16432 B11R0.148 COCCOCSCCC(C)C 62a_100000231047_100000210312 [0,2,0,0,0,0|2,0,0]=4 16433 B11R0.148 COCCOCSCCC(C)O 62a_100000231047_100012276601 [0,2,0,0,0,0|2,0,0]=4 16434 B11R0.148 COCCOCSCCC(C)O 62a_100012276601_100000231047 [0,2,0,0,0,0|2,0,0]=4 16435 B11R0.148 COCCSCCCCB(O)O 62a_100000233755_200009817182 [0,2,0,0,0,0|2,0,0]=4 16436 B11R0.148 COCCSCCCCB(O)O 62a_200009817182_100000233755 [0,2,0,0,0,0|2,0,0]=4 16437 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,2,0,0,0,0|1,0,1]=4 16438 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,2,0,0,0,0|1,0,1]=4 16439 B11R0.148 COCCSCCCCC(C)C 62a_100000233755_100011216152 [0,2,0,0,0,0|1,0,0]=3 16440 B11R0.148 COCCSCCCCC(C)C 62a_100011216152_100000233755 [0,2,0,0,0,0|1,0,0]=3 16441 B11R0.148 COCCSCCCCN(C)C 62a_100000233755_100000690147 [0,2,0,0,0,0|2,0,0]=4 16442 B11R0.148 COCNCCCCCC(C)C 2230a_100011290863_100000766300 [0,2,0,0,0,0|1,0,0]=3 16443 B11R0.148 COCNCCCOCC(C)C 2230a_100000205972_100000766300 [0,2,0,0,0,0|2,0,0]=4 16444 B11R0.148 COCSCCCCCB(O)O 62a_100000766300_200009817188 [0,2,0,0,0,0|2,0,0]=4 16445 B11R0.148 COCSCCCCCB(O)O 62a_200009817188_100000766300 [0,2,0,0,0,0|2,0,0]=4 16446 B11R0.148 COCSCCCCCC(C)C 62a_100000210682_100000766300 [0,2,0,0,0,0|1,0,0]=3 16447 B11R0.148 COCSCCCCCC(C)C 62a_100000766300_100000210682 [0,2,0,0,0,0|1,0,0]=3 16448 B11R0.148 CS(=O)CCCNCCCCF 2230a_200000753449_100000729493 [0,2,0,0,0,0|2,0,0]=4 16449 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [0,2,0,0,0,0|1,0,0]=3 16450 B11R0.148 CSCCCCOCCC(C)C 34a_100011217163_100000210312 [0,2,0,0,0,0|1,1,0]=4 16451 B11R0.148 CSCCCCOCCC(C)C 7a_100011217163_100000210626 [0,2,0,0,0,0|1,1,0]=4 16452 B11R0.148 CSCCCCOCCC(C)O 34a_100011217163_100012276601 [0,2,0,0,0,0|1,0,0]=3 16453 B11R0.148 CSCCCCOCCC(C)O 7a_100011217163_100012276601 [0,2,0,0,0,0|1,0,0]=3 16454 B11R0.148 CSCCCNCCCC(C)C 2230a_100000749238_100011214892 [0,2,0,0,0,0|1,1,0]=4 16455 B11R0.148 CSCCCNCCCC(C)O 2230a_100000749238_200000718107 [0,2,0,0,0,0|1,0,0]=3 16456 B11R0.148 CSCCCOCCCC(C)C 34a_100000690336_100011214892 [0,2,0,0,0,0|1,1,0]=4 16457 B11R0.148 CSCCCOCCCC(C)C 7a_100000690336_100011214892 [0,2,0,0,0,0|1,1,0]=4 16458 B11R0.148 CSCCCOCCCC(C)O 34a_100000690336_200000718107 [0,2,0,0,0,0|1,0,0]=3 16459 B11R0.148 CSCCCOCCCC(C)O 7a_100000690336_200000718107 [0,2,0,0,0,0|1,0,0]=3 16460 B11R0.148 CSCCNCCCCB(O)O 2230a_100020590264_200009817182 [0,2,0,0,0,0|2,0,0]=4 16461 B11R0.148 CSCCNCCCCC(C)C 2230a_100020590264_100011216152 [0,2,0,0,0,0|1,1,0]=4 16462 B11R0.148 CSCCOCCCCB(O)O 34a_100000230434_200009817182 [0,2,0,0,0,0|2,0,0]=4 16463 B11R0.148 CSCCOCCCCB(O)O 7a_100000230434_200009817182 [0,2,0,0,0,0|2,0,0]=4 16464 B11R0.148 CSCCOCCCCC(C)C 34a_100000230434_100011216152 [0,2,0,0,0,0|1,1,0]=4 16465 B11R0.148 CSCCOCCCCC(C)C 34a_100011214890_100000212216 [0,2,0,0,0,0|1,1,0]=4 16466 B11R0.148 CSCCOCCCCC(C)C 7a_100000230434_100011216152 [0,2,0,0,0,0|1,1,0]=4 16467 B11R0.148 CSCCOCCCCC(C)C 7a_100011214890_100000212216 [0,2,0,0,0,0|1,1,0]=4 16468 B11R0.148 CSCCSCCCCB(O)O 62a_100000212216_200009817182 [0,2,0,0,0,0|2,0,0]=4 16469 B11R0.148 CSCCSCCCCB(O)O 62a_200009817182_100000751147 [0,2,0,0,0,0|2,0,0]=4 16470 B11R0.148 CSCCSCCCCC(C)C 62a_100000212216_100011216152 [0,2,0,0,0,0|1,1,0]=4 16471 B11R0.148 CSCCSCCCCC(C)C 62a_100011216152_100000751147 [0,2,0,0,0,0|1,1,0]=4 16472 B11R0.148 CSCNCCCCCC(C)C 2230a_100011290863_100011218213 [0,2,0,0,0,0|1,1,0]=4 16473 B11R0.148 CSCNCCCCCC(C)C 34a_100011290863_100011218213 [0,2,0,0,0,0|1,1,0]=4 16474 B11R0.148 CSCOCCCCCC(C)C 34a_100011995859_100011218213 [0,2,0,0,0,0|1,1,0]=4 16475 B11R0.148 CSCSCCCCCB(O)O 62a_100011218213_200009817188 [0,2,0,0,0,0|2,0,0]=4 16476 B11R0.148 CSCSCCCCCB(O)O 62a_200009817188_100011218213 [0,2,0,0,0,0|2,0,0]=4 16477 B11R0.148 CSCSCCCCCC(C)C 62a_100000210682_100011218213 [0,2,0,0,0,0|1,1,0]=4 16478 B11R0.148 CSCSCCCCCC(C)C 62a_100011218213_100000210682 [0,2,0,0,0,0|1,1,0]=4 16479 B11R0.148 C[C@@H](Cl)COCCCCCCF 34a_100016084084_100015922095 [0,2,0,0,0,0|1,0,0]=3 16480 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [0,2,0,0,0,0|0,0,0]=2 16481 B11R0.148 C[C@@H](N)CCOCCCCCF 34a_100000706166_100000729378 [0,2,0,0,0,0|1,0,0]=3 16482 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [0,2,0,0,0,0|0,0,0]=2 16483 B11R0.148 C[C@@H](N)CCOCCOCCO 34a_100000706166_100000692535 [0,2,0,0,0,0|1,0,0]=3 16484 B11R0.148 C[C@@H](N)COCCCCCCF 34a_100000737577_100015922095 [0,2,0,0,0,0|1,0,0]=3 16485 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [0,2,0,0,0,0|0,0,0]=2 16486 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [0,2,0,0,0,0|0,0,0]=2 16487 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [0,2,0,0,0,0|0,0,0]=2 16488 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [0,2,0,0,0,0|1,0,0]=3 16489 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [0,2,0,0,0,0|1,0,0]=3 16490 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [0,2,0,0,0,0|1,0,0]=3 16491 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [0,2,0,0,0,0|1,0,0]=3 16492 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [0,2,0,0,0,0|1,0,0]=3 16493 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [0,2,0,0,0,0|1,0,0]=3 16494 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [0,2,0,0,0,0|1,0,0]=3 16495 B11R0.148 C[C@@H](O)CSCCCCCC#N 62a_100009813376_100009817552 [0,2,0,0,0,0|1,0,1]=4 16496 B11R0.148 C[C@@H](O)CSCCCCCC#N 62a_100009817552_100009813376 [0,2,0,0,0,0|1,0,1]=4 16497 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100000139337_100009817552 [0,2,0,0,0,0|0,0,2]=4 16498 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100009817552_100000139337 [0,2,0,0,0,0|0,0,2]=4 16499 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [0,2,0,0,0,0|1,0,0]=3 16500 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [0,2,0,0,0,0|1,0,0]=3 16501 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [0,2,0,0,0,0|0,0,0]=2 16502 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [0,2,0,0,0,0|0,0,0]=2 16503 B11R0.148 FC(F)COCCCCCCBr 34a_100011215345_100011934356 [0,2,0,0,0,0|2,0,0]=4 16504 B11R0.148 FC(F)COCCCCCCBr 7a_100011215345_100011934356 [0,2,0,0,0,0|2,0,0]=4 16505 B11R0.148 FC(F)COCCCCCCCl 34a_100000766143_100011934356 [0,2,0,0,0,0|2,0,0]=4 16506 B11R0.148 FC(F)COCCCCCCCl 7a_100000766143_100011934356 [0,2,0,0,0,0|2,0,0]=4 16507 B11R0.148 FCCCCCCNCC(F)F 34a_100000765723_100015922095 [0,2,0,0,0,0|2,0,0]=4 16508 B11R0.148 FCCCCCCOCC(F)F 34a_100000732779_100011934356 [0,2,0,0,0,0|2,0,0]=4 16509 B11R0.148 FCCCCCCOCC(F)F 34a_100000743014_100015922095 [0,2,0,0,0,0|2,0,0]=4 16510 B11R0.148 FCCCCCCOCC(F)F 7a_100000732779_100011934356 [0,2,0,0,0,0|2,0,0]=4 16511 B11R0.148 FCCCCCCSCC(F)F 62a_100011934356_100015922095 [0,2,0,0,0,0|2,0,0]=4 16512 B11R0.148 FCCCCCCSCC(F)F 62a_100015922095_100011934356 [0,2,0,0,0,0|2,0,0]=4 16513 B11R0.148 FCCCCCOCCC(F)F 34a_100103093639_100000729378 [0,2,0,0,0,0|2,0,0]=4 16514 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,2,0,0,0,0|1,0,1]=4 16515 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,2,0,0,0,0|1,0,1]=4 16516 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,2,0,0,0,0|1,0,1]=4 16517 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,2,0,0,0,0|1,0,1]=4 16518 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,2,0,0,0,0|1,0,1]=4 16519 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,2,0,0,0,0|1,0,1]=4 16520 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,2,0,0,0,0|1,0,1]=4 16521 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,2,0,0,0,0|1,0,1]=4 16522 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,2,0,0,0,0|1,0,1]=4 16523 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,2,0,0,0,0|1,0,1]=4 16524 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,2,0,0,0,0|1,0,1]=4 16525 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,2,0,0,0,0|1,0,1]=4 16526 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,2,0,0,0,0|1,0,1]=4 16527 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,2,0,0,0,0|1,0,1]=4 16528 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,2,0,0,0,0|1,0,1]=4 16529 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,2,0,0,0,0|1,0,1]=4 16530 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,2,0,0,0,0|1,0,1]=4 16531 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,2,0,0,0,0|1,0,1]=4 16532 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,2,0,0,0,0|1,0,1]=4 16533 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,2,0,0,0,0|1,0,1]=4 16534 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,2,0,0,0,0|1,0,1]=4 16535 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,2,0,0,0,0|1,0,1]=4 16536 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,2,0,0,0,0|1,0,1]=4 16537 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,2,0,0,0,0|1,0,1]=4 16538 B11R0.148 NCCCCCCOCC(F)F 34a_100000686447_100011934356 [0,2,0,0,0,0|2,0,0]=4 16539 B11R0.148 NCCCOCCCCB(O)O 34a_100000182051_200009817182 [0,2,0,0,0,0|2,0,0]=4 16540 B11R0.148 NCCOCCCCCB(O)O 34a_100000210304_200009817188 [0,2,0,0,0,0|2,0,0]=4 16541 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,2,0,0,0,0|1,0,1]=4 16542 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,2,0,0,0,0|1,0,1]=4 16543 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,2,0,0,0,0|1,0,1]=4 16544 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,2,0,0,0,0|1,0,1]=4 16545 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,2,0,0,0,0|1,0,1]=4 16546 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,2,0,0,0,0|1,0,1]=4 16547 B11R0.148 O=[N+]([O-])CCCCOCCCO 34a_200015379883_100000230001 [0,2,0,0,0,0|2,0,0]=4 16548 B11R0.148 O=[N+]([O-])CCCCOCCCO 7a_200015379883_100011215043 [0,2,0,0,0,0|2,0,0]=4 16549 B11R0.148 O=[N+]([O-])CCCOCCCCO 34a_200000037920_100011216708 [0,2,0,0,0,0|2,0,0]=4 16550 B11R0.148 O=[N+]([O-])CNCCCCCCO 34a_100000686447_100000761209 [0,2,0,0,0,0|2,0,0]=4 16551 B11R0.148 O=[N+]([O-])CSCCCCCCO 62a_100000766143_100000761209 [0,2,0,0,0,0|2,0,0]=4 16552 B11R0.148 OB(O)CCCCCCSCF 62a_100009817187_100015361967 [0,2,0,0,0,0|2,0,0]=4 16553 B11R0.148 OB(O)CCCCCCSCF 62a_100015361967_100009817187 [0,2,0,0,0,0|2,0,0]=4 16554 B11R0.148 OB(O)CCCCCNCCF 34a_100000724931_200009817188 [0,2,0,0,0,0|2,0,0]=4 16555 B11R0.148 OB(O)CCCCCOCCBr 34a_100000211926_200009817188 [0,2,0,0,0,0|2,0,0]=4 16556 B11R0.148 OB(O)CCCCCSCCF 62a_100011217306_200009817188 [0,2,0,0,0,0|2,0,0]=4 16557 B11R0.148 OB(O)CCCCCSCCF 62a_200009817188_100011217306 [0,2,0,0,0,0|2,0,0]=4 16558 B11R0.148 OB(O)CCCCNCCCF 2230a_100015189416_200009817182 [0,2,0,0,0,0|2,0,0]=4 16559 B11R0.148 OB(O)CCCCNCCCF 34a_100015189416_200009817182 [0,2,0,0,0,0|2,0,0]=4 16560 B11R0.148 OB(O)CCCCOCCCBr 34a_100011217188_200009817182 [0,2,0,0,0,0|2,0,0]=4 16561 B11R0.148 OB(O)CCCCOCCCCl 34a_100000230001_200009817182 [0,2,0,0,0,0|2,0,0]=4 16562 B11R0.148 OB(O)CCCCOCCCF 34a_100000759539_200009817182 [0,2,0,0,0,0|2,0,0]=4 16563 B11R0.148 OB(O)CCCCSCCCF 62a_100011934791_200009817182 [0,2,0,0,0,0|2,0,0]=4 16564 B11R0.148 OB(O)CCCCSCCCF 62a_200009817182_100011934791 [0,2,0,0,0,0|2,0,0]=4 16565 B11R0.148 OCCCCCCNCC(F)F 2230a_100000686447_100011934356 [0,2,0,0,0,0|1,0,0]=3 16566 B11R0.148 OCCCCCCNCC(F)F 34a_100000686447_100011934356 [0,2,0,0,0,0|1,0,0]=3 16567 B11R0.148 OCCCCCCNCC(F)F 34a_100000765723_100000766143 [0,2,0,0,0,0|1,0,0]=3 16568 B11R0.148 OCCCCCCOCC(F)F 34a_100000743014_100000766143 [0,2,0,0,0,0|1,0,0]=3 16569 B11R0.148 OCCCCCCSCC(F)F 62a_100000766143_100011934356 [0,2,0,0,0,0|1,0,0]=3 16570 B11R0.148 OCCCCCCSCC(F)F 62a_100011934356_100000766143 [0,2,0,0,0,0|1,0,0]=3 16571 B11R0.148 OCCCCCOCCC(F)F 34a_100103093639_100000746330 [0,2,0,0,0,0|1,0,0]=3 16572 B11R0.148 OCCCOCCOCC(F)F 34a_100000704375_100000230001 [0,2,0,0,0,0|2,0,0]=4 16573 B11R0.148 OCCCOCCOCC(F)F 7a_100000704375_100011215043 [0,2,0,0,0,0|2,0,0]=4 16574 B11R0.148 OCCCSCCCCB(O)O 62a_100011215043_200009817182 [0,2,0,0,0,0|2,0,0]=4 16575 B11R0.148 OCCCSCCCCB(O)O 62a_200009817182_100011215043 [0,2,0,0,0,0|2,0,0]=4 16576 B11R0.148 OCCCSCCOCC(F)F 62a_100011215043_200012177212 [0,2,0,0,0,0|2,0,0]=4 16577 B11R0.148 OCCCSCCOCC(F)F 62a_200012177212_100011215043 [0,2,0,0,0,0|2,0,0]=4 16578 B11R0.148 OCCNCCCCCB(O)O 2230a_100016997473_200009817188 [0,2,0,0,0,0|2,0,0]=4 16579 B11R0.148 OCCNCCCCCB(O)O 34a_100016990907_200009817188 [0,2,0,0,0,0|2,0,0]=4 16580 B11R0.148 OCCOCCOCCC(F)F 34a_100103093639_100000692535 [0,2,0,0,0,0|2,0,0]=4 16581 B11R0.148 OCCSCCCCCB(O)O 62a_100000211926_200009817188 [0,2,0,0,0,0|2,0,0]=4 16582 B11R0.148 OCCSCCCCCB(O)O 62a_200009817188_100000211926 [0,2,0,0,0,0|2,0,0]=4 16583 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [0,2,0,0,0,0|1,0,1]=4 16584 B11R0.159 CC(C)(C)CCNCCCCF 2230a_100000738805_100000729493 [0,2,0,0,0,0|2,0,0]=4 16585 B11R0.159 CC(C)(C)CCNCCCCO 2230a_100000738805_100000210776 [0,2,0,0,0,0|1,0,0]=3 16586 B11R0.159 CC(C)(C)CCNCCCCO 2230a_100000750430_100000755188 [0,2,0,0,0,0|1,0,0]=3 16587 B11R0.159 CC(C)(C)CCNCCCCO 34a_100000750430_100000755188 [0,2,0,0,0,0|1,0,0]=3 16588 B11R0.159 CC(C)(C)CCOCCCCBr 34a_100011216708_100000755188 [0,2,0,0,0,0|2,0,0]=4 16589 B11R0.159 CC(C)(C)CCOCCCCCl 34a_100000210776_100000755188 [0,2,0,0,0,0|2,0,0]=4 16590 B11R0.159 CC(C)(C)CCOCCCCCl 7a_100000210776_100000755188 [0,2,0,0,0,0|2,0,0]=4 16591 B11R0.159 CC(C)(C)CCOCCCCF 34a_100011995726_100000755188 [0,2,0,0,0,0|2,0,0]=4 16592 B11R0.159 CC(C)(C)CCOCCCCF 7a_100000765024_100000729493 [0,2,0,0,0,0|2,0,0]=4 16593 B11R0.159 CC(C)(C)CCOCCCCF 7a_100011995726_100000755188 [0,2,0,0,0,0|2,0,0]=4 16594 B11R0.159 CC(C)(C)CCOCCCCI 34a_200012148704_100000755188 [0,2,0,0,0,0|2,0,0]=4 16595 B11R0.159 CC(C)(C)CCOCCCCN 34a_100000750430_100000755188 [0,2,0,0,0,0|2,0,0]=4 16596 B11R0.159 CC(C)(C)CCOCCCCO 7a_100000765024_100000210776 [0,2,0,0,0,0|1,0,0]=3 16597 B11R0.159 CC(C)(C)CCSCCCCF 62a_100000729493_100000755188 [0,2,0,0,0,0|2,0,0]=4 16598 B11R0.159 CC(C)(C)CCSCCCCF 62a_100000755188_100000729493 [0,2,0,0,0,0|2,0,0]=4 16599 B11R0.159 CC(C)(C)CCSCCCCO 62a_100000210776_100000755188 [0,2,0,0,0,0|1,0,0]=3 16600 B11R0.159 CC(C)(C)CCSCCCCO 62a_100000755188_100000210776 [0,2,0,0,0,0|1,0,0]=3 16601 B11R0.159 CC(C)(C)CNCCCCCF 2230a_100000743828_100000729378 [0,2,0,0,0,0|2,0,0]=4 16602 B11R0.159 CC(C)(C)CNCCCCCO 2230a_100000743828_100000746330 [0,2,0,0,0,0|1,0,0]=3 16603 B11R0.159 CC(C)(C)CNCCCCCO 270004a_100000762737_100011204126 [0,2,0,0,0,0|1,0,0]=3 16604 B11R0.159 CC(C)(C)CNCCCCCO 34a_100000762737_100011219605 [0,2,0,0,0,0|1,0,0]=3 16605 B11R0.159 CC(C)(C)CNCCOCCO 2230a_100000743828_100011215305 [0,2,0,0,0,0|2,0,0]=4 16606 B11R0.159 CC(C)(C)CNCCOCCO 270004a_100000211614_100011204126 [0,2,0,0,0,0|2,0,0]=4 16607 B11R0.159 CC(C)(C)CNCCOCCO 34a_100000211614_100011219605 [0,2,0,0,0,0|2,0,0]=4 16608 B11R0.159 CC(C)(C)CNCCSCCO 270004a_100011219999_100011204126 [0,2,0,0,0,0|2,0,0]=4 16609 B11R0.159 CC(C)(C)COCCCCCBr 34a_100000746331_100011219605 [0,2,0,0,0,0|2,0,0]=4 16610 B11R0.159 CC(C)(C)COCCCCCCl 34a_100000746330_100011219605 [0,2,0,0,0,0|2,0,0]=4 16611 B11R0.159 CC(C)(C)COCCCCCI 34a_200012148887_100011219605 [0,2,0,0,0,0|2,0,0]=4 16612 B11R0.159 CC(C)(C)COCCCCCN 34a_100000762737_100011219605 [0,2,0,0,0,0|2,0,0]=4 16613 B11R0.159 CC(C)(C)CSCCCCCF 62a_100000729378_100011219605 [0,2,0,0,0,0|2,0,0]=4 16614 B11R0.159 CC(C)(C)CSCCCCCF 62a_100011219605_100000729378 [0,2,0,0,0,0|2,0,0]=4 16615 B11R0.159 CC(C)(C)CSCCCCCO 62a_100000746330_100011219605 [0,2,0,0,0,0|1,0,0]=3 16616 B11R0.159 CC(C)(C)CSCCCCCO 62a_100011219605_100000746330 [0,2,0,0,0,0|1,0,0]=3 16617 B11R0.159 CC(C)(C)CSCCOCCO 62a_100011215305_100011219605 [0,2,0,0,0,0|2,0,0]=4 16618 B11R0.159 CC(C)(C)CSCCOCCO 62a_100011219605_100011215305 [0,2,0,0,0,0|2,0,0]=4 16619 B11R0.159 CC(C)(C)NCCCCCCF 2230a_100000715429_100015922095 [0,2,0,0,0,0|2,0,0]=4 16620 B11R0.159 CC(C)(C)NCCCCCCO 2230a_100000715429_100000766143 [0,2,0,0,0,0|1,0,0]=3 16621 B11R0.159 CC(C)(C)NCCCCCCO 34a_100000686447_100000210625 [0,2,0,0,0,0|1,0,0]=3 16622 B11R0.159 CC(C)(C)OCCCCCCBr 34a_100011215345_100000210625 [0,2,0,0,0,0|2,0,0]=4 16623 B11R0.159 CC(C)(C)OCCCCCCCl 34a_100000766143_100000210625 [0,2,0,0,0,0|2,0,0]=4 16624 B11R0.159 CC(C)(C)OCCCCCCF 34a_100000732779_100000210625 [0,2,0,0,0,0|2,0,0]=4 16625 B11R0.159 CC(C)(C)OCCCCCCF 34a_100015890283_100015922095 [0,2,0,0,0,0|2,0,0]=4 16626 B11R0.159 CC(C)(C)OCCCCCCF 7a_100015890283_100015922095 [0,2,0,0,0,0|2,0,0]=4 16627 B11R0.159 CC(C)(C)OCCCCCCN 34a_100000686447_100000210625 [0,2,0,0,0,0|2,0,0]=4 16628 B11R0.159 CC(C)(C)OCCCCCCO 34a_100015890283_100000766143 [0,2,0,0,0,0|1,0,0]=3 16629 B11R0.159 CC(C)(C)OCCCCCCO 7a_100015890283_100000766143 [0,2,0,0,0,0|1,0,0]=3 16630 B11R0.159 CC(C)(C)OCCCNCCO 2230a_100011250582_100000211926 [0,2,0,0,0,0|2,0,0]=4 16631 B11R0.159 CC(C)(C)OCCNCCCO 2230a_100000747557_100000230001 [0,2,0,0,0,0|2,0,0]=4 16632 B11R0.159 CC(C)(C)OCCOCCCO 34a_100000693234_100000230001 [0,2,0,0,0,0|2,0,0]=4 16633 B11R0.159 CC(C)(C)OCCOCCCO 7a_100000693234_100011215043 [0,2,0,0,0,0|2,0,0]=4 16634 B11R0.159 CC(C)(C)SCCCCCCF 62a_100000211941_100015922095 [0,2,0,0,0,0|2,0,0]=4 16635 B11R0.159 CC(C)(C)SCCCCCCF 62a_100015922095_100000211941 [0,2,0,0,0,0|2,0,0]=4 16636 B11R0.159 CC(C)(C)SCCCCCCO 62a_100000211941_100000766143 [0,2,0,0,0,0|1,0,0]=3 16637 B11R0.159 CC(C)(C)SCCCCCCO 62a_100000766143_100000211941 [0,2,0,0,0,0|1,0,0]=3 16638 B11R0.159 CC(C)(C)SCCNCCCO 2230a_100000689375_100000230001 [0,2,0,0,0,0|2,0,0]=4 16639 B11R0.159 CC(C)(F)CCNCCCCF 2230a_100016253952_100000729493 [0,2,0,0,0,0|2,0,0]=4 16640 B11R0.159 CC(C)(F)CCNCCCCO 2230a_100016253952_100000210776 [0,2,0,0,0,0|1,0,0]=3 16641 B11R0.159 CC(C)(F)CNCCCCCF 2230a_100020643315_100000729378 [0,2,0,0,0,0|2,0,0]=4 16642 B11R0.159 CC(C)(F)CNCCCCCO 2230a_100020643315_100000746330 [0,2,0,0,0,0|1,0,0]=3 16643 B11R0.159 CC(C)(F)CNCCCCCO 34a_100000762737_100011997219 [0,2,0,0,0,0|1,0,0]=3 16644 B11R0.159 CC(C)(F)CNCCOCCO 2230a_100020643315_100011215305 [0,2,0,0,0,0|2,0,0]=4 16645 B11R0.159 CC(C)(F)CNCCOCCO 34a_100000211614_100011997219 [0,2,0,0,0,0|2,0,0]=4 16646 B11R0.159 CC(C)(F)COCCCCCBr 34a_100000746331_100011997219 [0,2,0,0,0,0|2,0,0]=4 16647 B11R0.159 CC(C)(F)COCCCCCCl 34a_100000746330_100011997219 [0,2,0,0,0,0|2,0,0]=4 16648 B11R0.159 CC(C)(F)COCCCCCF 34a_100000716592_100000729378 [0,2,0,0,0,0|2,0,0]=4 16649 B11R0.159 CC(C)(F)COCCCCCI 34a_200012148887_100011997219 [0,2,0,0,0,0|2,0,0]=4 16650 B11R0.159 CC(C)(F)COCCCCCN 34a_100000762737_100011997219 [0,2,0,0,0,0|2,0,0]=4 16651 B11R0.159 CC(C)(F)COCCCCCO 34a_100000716592_100000746330 [0,2,0,0,0,0|1,0,0]=3 16652 B11R0.159 CC(C)(F)COCCOCCO 34a_100000716592_100000692535 [0,2,0,0,0,0|2,0,0]=4 16653 B11R0.159 CC(C)(F)CSCCCCCF 62a_100000729378_100011997219 [0,2,0,0,0,0|2,0,0]=4 16654 B11R0.159 CC(C)(F)CSCCCCCF 62a_100011997219_100000729378 [0,2,0,0,0,0|2,0,0]=4 16655 B11R0.159 CC(C)(F)CSCCCCCO 62a_100000746330_100011997219 [0,2,0,0,0,0|1,0,0]=3 16656 B11R0.159 CC(C)(F)CSCCCCCO 62a_100011997219_100000746330 [0,2,0,0,0,0|1,0,0]=3 16657 B11R0.159 CC(C)(F)CSCCOCCO 62a_100011215305_100011997219 [0,2,0,0,0,0|2,0,0]=4 16658 B11R0.159 CC(C)(F)CSCCOCCO 62a_100011997219_100011215305 [0,2,0,0,0,0|2,0,0]=4 16659 B11R0.159 CC(C)(O)CCCCCSCF 62a_100010402123_100015361967 [0,2,0,0,0,0|2,0,0]=4 16660 B11R0.159 CC(C)(O)CCCCCSCF 62a_100015361967_100010402123 [0,2,0,0,0,0|2,0,0]=4 16661 B11R0.159 CC(C)(O)CCCNCCCF 2230a_100015189416_100009888830 [0,2,0,0,0,0|2,0,0]=4 16662 B11R0.159 CC(C)(O)CCCNCCCF 34a_100015189416_100009888830 [0,2,0,0,0,0|2,0,0]=4 16663 B11R0.159 CC(C)(O)CCCOCCCBr 34a_100011217188_100009888830 [0,2,0,0,0,0|2,0,0]=4 16664 B11R0.159 CC(C)(O)CCCOCCCCl 34a_100000230001_100009888830 [0,2,0,0,0,0|2,0,0]=4 16665 B11R0.159 CC(C)(O)CCCOCCCF 34a_100000759539_100009888830 [0,2,0,0,0,0|2,0,0]=4 16666 B11R0.159 CC(C)(O)CCCOCCCN 34a_100000182051_100009888830 [0,2,0,0,0,0|2,0,0]=4 16667 B11R0.159 CC(C)(O)CCCSCCCF 62a_100009888830_100011934791 [0,2,0,0,0,0|2,0,0]=4 16668 B11R0.159 CC(C)(O)CCCSCCCF 62a_100011934791_100009888830 [0,2,0,0,0,0|2,0,0]=4 16669 B11R0.159 CC(C)(O)CCCSCCCO 62a_100009888830_100011215043 [0,2,0,0,0,0|1,0,0]=3 16670 B11R0.159 CC(C)(O)CCCSCCCO 62a_100011215043_100009888830 [0,2,0,0,0,0|1,0,0]=3 16671 B11R0.159 CC(C)(O)CCNCCCCO 2230a_100000750430_100000702414 [0,2,0,0,0,0|1,0,0]=3 16672 B11R0.159 CC(C)(O)CCNCCCCO 34a_100000750430_100000702414 [0,2,0,0,0,0|1,0,0]=3 16673 B11R0.159 CC(C)(O)CCOCCCCBr 34a_100011216708_100000702414 [0,2,0,0,0,0|2,0,0]=4 16674 B11R0.159 CC(C)(O)CCOCCCCCl 34a_100000210776_100000702414 [0,2,0,0,0,0|2,0,0]=4 16675 B11R0.159 CC(C)(O)CCOCCCCCl 7a_100000210776_100000702414 [0,2,0,0,0,0|2,0,0]=4 16676 B11R0.159 CC(C)(O)CCOCCCCF 34a_100011995726_100000702414 [0,2,0,0,0,0|2,0,0]=4 16677 B11R0.159 CC(C)(O)CCOCCCCF 7a_100011995726_100000702414 [0,2,0,0,0,0|2,0,0]=4 16678 B11R0.159 CC(C)(O)CCOCCCCI 34a_200012148704_100000702414 [0,2,0,0,0,0|2,0,0]=4 16679 B11R0.159 CC(C)(O)CCOCCCCN 34a_100000750430_100000702414 [0,2,0,0,0,0|2,0,0]=4 16680 B11R0.159 CC(C)(O)CCSCCCCF 62a_100000702414_100000729493 [0,2,0,0,0,0|2,0,0]=4 16681 B11R0.159 CC(C)(O)CCSCCCCF 62a_100000729493_100000702414 [0,2,0,0,0,0|2,0,0]=4 16682 B11R0.159 CC(C)(O)CCSCCCCO 62a_100000210776_100000702414 [0,2,0,0,0,0|1,0,0]=3 16683 B11R0.159 CC(C)(O)CCSCCCCO 62a_100000702414_100000210776 [0,2,0,0,0,0|1,0,0]=3 16684 B11R0.159 CC(C)(O)CNCCCCCF 2230a_100000751335_100000729378 [0,2,0,0,0,0|2,0,0]=4 16685 B11R0.159 CC(C)(O)CNCCCCCO 2230a_100000751335_100000746330 [0,2,0,0,0,0|1,0,0]=3 16686 B11R0.159 CC(C)(O)CNCCCCCO 34a_100000762737_100000764493 [0,2,0,0,0,0|1,0,0]=3 16687 B11R0.159 CC(C)(O)CNCCOCCO 2230a_100000751335_100011215305 [0,2,0,0,0,0|2,0,0]=4 16688 B11R0.159 CC(C)(O)CNCCOCCO 34a_100000211614_100000764493 [0,2,0,0,0,0|2,0,0]=4 16689 B11R0.159 CC(C)(O)COCCCCCBr 34a_100000746331_100000764493 [0,2,0,0,0,0|2,0,0]=4 16690 B11R0.159 CC(C)(O)COCCCCCBr 7a_100000746331_100000764493 [0,2,0,0,0,0|2,0,0]=4 16691 B11R0.159 CC(C)(O)COCCCCCCl 34a_100000746330_100000764493 [0,2,0,0,0,0|2,0,0]=4 16692 B11R0.159 CC(C)(O)COCCCCCCl 7a_100000746330_100000764493 [0,2,0,0,0,0|2,0,0]=4 16693 B11R0.159 CC(C)(O)COCCCCCI 34a_200012148887_100000764493 [0,2,0,0,0,0|2,0,0]=4 16694 B11R0.159 CC(C)(O)COCCCCCI 7a_200012148887_100000764493 [0,2,0,0,0,0|2,0,0]=4 16695 B11R0.159 CC(C)(O)COCCCCCN 34a_100000762737_100000764493 [0,2,0,0,0,0|2,0,0]=4 16696 B11R0.159 CC(C)(O)CSCCCCCF 62a_100000729378_100000764493 [0,2,0,0,0,0|2,0,0]=4 16697 B11R0.159 CC(C)(O)CSCCCCCF 62a_100000764493_100000729378 [0,2,0,0,0,0|2,0,0]=4 16698 B11R0.159 CC(C)(O)CSCCCCCO 62a_100000746330_100000764493 [0,2,0,0,0,0|1,0,0]=3 16699 B11R0.159 CC(C)(O)CSCCCCCO 62a_100000764493_100000746330 [0,2,0,0,0,0|1,0,0]=3 16700 B11R0.159 CC(C)(O)CSCCOCCO 62a_100000764493_100011215305 [0,2,0,0,0,0|2,0,0]=4 16701 B11R0.159 CC(C)(O)CSCCOCCO 62a_100011215305_100000764493 [0,2,0,0,0,0|2,0,0]=4 16702 B11R0.159 CC(F)(F)COCCCCCF 34a_100000068830_100000729378 [0,2,0,0,0,0|2,0,0]=4 16703 B11R0.159 CC(F)(F)COCCCCCO 34a_100000068830_100000746330 [0,2,0,0,0,0|1,0,0]=3 16704 B11R0.159 CC(F)(F)COCCOCCO 34a_100000068830_100000692535 [0,2,0,0,0,0|2,0,0]=4 16705 B11R0.159 CCCCCCCNC(C)(C)C 2230a_100000715429_100000210681 [0,2,0,0,0,0|2,0,0]=4 16706 B11R0.159 CCCCCCCOC(C)(C)C 34a_100000210272_100000210625 [0,2,0,0,0,0|2,0,0]=4 16707 B11R0.159 CCCCCCCOC(C)(C)C 34a_100015890283_100000210614 [0,2,0,0,0,0|2,0,0]=4 16708 B11R0.159 CCCCCCCOC(C)(C)C 7a_100015890283_100000210614 [0,2,0,0,0,0|2,0,0]=4 16709 B11R0.159 CCCCCCCOC(F)(F)F 34a_100000210272_200103152311 [0,2,0,0,0,0|2,0,0]=4 16710 B11R0.159 CCCCCCCOC(F)(F)F 7a_100000210272_200000243211 [0,2,0,0,0,0|2,0,0]=4 16711 B11R0.159 CCCCCCCSC(C)(C)C 62a_100000210614_100000211941 [0,2,0,0,0,0|2,0,0]=4 16712 B11R0.159 CCCCCCCSC(C)(C)C 62a_100000211941_100000210316 [0,2,0,0,0,0|2,0,0]=4 16713 B11R0.159 CCCCCCCSC(F)(F)F 62a_100000210614_200103152311 [0,2,0,0,0,0|2,0,0]=4 16714 B11R0.159 CCCCCCCSC(F)(F)F 62a_200000243211_100000210316 [0,2,0,0,0,0|2,0,0]=4 16715 B11R0.159 CCCCCCNCC(C)(C)C 2230a_100000743828_100000210314 [0,2,0,0,0,0|2,0,0]=4 16716 B11R0.159 CCCCCCNCC(C)(C)C 270004a_100000210581_100011204126 [0,2,0,0,0,0|2,0,0]=4 16717 B11R0.159 CCCCCCNCC(C)(C)F 2230a_100020643315_100000210314 [0,2,0,0,0,0|2,0,0]=4 16718 B11R0.159 CCCCCCNCC(C)(C)O 2230a_100000751335_100000210314 [0,2,0,0,0,0|1,0,0]=3 16719 B11R0.159 CCCCCCNCC(F)(F)F 2230a_100000210581_100000763148 [0,2,0,0,0,0|2,0,0]=4 16720 B11R0.159 CCCCCCNCC(F)(F)F 34a_100000717047_100000210314 [0,2,0,0,0,0|2,0,0]=4 16721 B11R0.159 CCCCCCOCC(C)(C)C 34a_100000210259_100011219605 [0,2,0,0,0,0|2,0,0]=4 16722 B11R0.159 CCCCCCOCC(C)(C)F 34a_100000210259_100011997219 [0,2,0,0,0,0|2,0,0]=4 16723 B11R0.159 CCCCCCOCC(C)(C)F 34a_100000716592_100000210314 [0,2,0,0,0,0|2,0,0]=4 16724 B11R0.159 CCCCCCOCC(C)(C)O 34a_100000210259_100000764493 [0,2,0,0,0,0|1,0,0]=3 16725 B11R0.159 CCCCCCOCC(C)(C)O 7a_100000210259_100000764493 [0,2,0,0,0,0|1,0,0]=3 16726 B11R0.159 CCCCCCOCC(C)(F)F 34a_100000068830_100000210314 [0,2,0,0,0,0|2,0,0]=4 16727 B11R0.159 CCCCCCOCC(F)(F)Br 34a_100011217949_100000210314 [0,2,0,0,0,0|2,0,0]=4 16728 B11R0.159 CCCCCCOCC(F)(F)Cl 34a_100000734434_100000210314 [0,2,0,0,0,0|2,0,0]=4 16729 B11R0.159 CCCCCCOCC(F)(F)F 34a_100000210435_100000210314 [0,2,0,0,0,0|2,0,0]=4 16730 B11R0.159 CCCCCCSCC(C)(C)C 62a_100000210314_100011219605 [0,2,0,0,0,0|2,0,0]=4 16731 B11R0.159 CCCCCCSCC(C)(C)C 62a_100011219605_100000210757 [0,2,0,0,0,0|2,0,0]=4 16732 B11R0.159 CCCCCCSCC(C)(C)F 62a_100000210314_100011997219 [0,2,0,0,0,0|2,0,0]=4 16733 B11R0.159 CCCCCCSCC(C)(C)F 62a_100011997219_100000210757 [0,2,0,0,0,0|2,0,0]=4 16734 B11R0.159 CCCCCCSCC(C)(C)O 62a_100000210314_100000764493 [0,2,0,0,0,0|1,0,0]=3 16735 B11R0.159 CCCCCCSCC(C)(C)O 62a_100000764493_100000210757 [0,2,0,0,0,0|1,0,0]=3 16736 B11R0.159 CCCCCCSCC(F)(F)F 62a_100000210314_100000763148 [0,2,0,0,0,0|2,0,0]=4 16737 B11R0.159 CCCCCCSCC(F)(F)F 62a_100000763148_100000210757 [0,2,0,0,0,0|2,0,0]=4 16738 B11R0.159 CCCCCNCCC(C)(C)C 2230a_100000209983_100000755188 [0,2,0,0,0,0|2,0,0]=4 16739 B11R0.159 CCCCCNCCC(C)(C)C 2230a_100000738805_100000210326 [0,2,0,0,0,0|2,0,0]=4 16740 B11R0.159 CCCCCNCCC(C)(C)F 2230a_100016253952_100000210326 [0,2,0,0,0,0|2,0,0]=4 16741 B11R0.159 CCCCCNCCC(C)(C)O 2230a_100000209983_100000702414 [0,2,0,0,0,0|1,0,0]=3 16742 B11R0.159 CCCCCNCCC(F)(F)F 2230a_100000740434_100000210326 [0,2,0,0,0,0|2,0,0]=4 16743 B11R0.159 CCCCCNCCC(F)(F)F 34a_100000740434_100000718602 [0,2,0,0,0,0|2,0,0]=4 16744 B11R0.159 CCCCCOCCC(C)(C)C 34a_100000210253_100000755188 [0,2,0,0,0,0|2,0,0]=4 16745 B11R0.159 CCCCCOCCC(C)(C)C 7a_100000210253_100000755188 [0,2,0,0,0,0|2,0,0]=4 16746 B11R0.159 CCCCCOCCC(C)(C)C 7a_100000765024_100000210326 [0,2,0,0,0,0|2,0,0]=4 16747 B11R0.159 CCCCCOCCC(C)(C)O 34a_100000210253_100000702414 [0,2,0,0,0,0|1,0,0]=3 16748 B11R0.159 CCCCCOCCC(C)(C)O 7a_100000210253_100000702414 [0,2,0,0,0,0|1,0,0]=3 16749 B11R0.159 CCCCCOCCC(F)(F)F 34a_100000210253_100011219754 [0,2,0,0,0,0|2,0,0]=4 16750 B11R0.159 CCCCCOCCC(F)(F)F 34a_100000752437_100000718602 [0,2,0,0,0,0|2,0,0]=4 16751 B11R0.159 CCCCCOCCC(F)(F)F 7a_100000210253_100011219754 [0,2,0,0,0,0|2,0,0]=4 16752 B11R0.159 CCCCCSCCC(C)(C)C 62a_100000210326_100000755188 [0,2,0,0,0,0|2,0,0]=4 16753 B11R0.159 CCCCCSCCC(C)(C)C 62a_100000755188_100000210326 [0,2,0,0,0,0|2,0,0]=4 16754 B11R0.159 CCCCCSCCC(C)(C)O 62a_100000210326_100000702414 [0,2,0,0,0,0|1,0,0]=3 16755 B11R0.159 CCCCCSCCC(C)(C)O 62a_100000702414_100000210326 [0,2,0,0,0,0|1,0,0]=3 16756 B11R0.159 CCCCCSCCC(F)(F)F 62a_100000210326_100011219754 [0,2,0,0,0,0|2,0,0]=4 16757 B11R0.159 CCCCCSCCC(F)(F)F 62a_100011219754_100000210326 [0,2,0,0,0,0|2,0,0]=4 16758 B11R0.159 CCCCNCCCC(C)(C)O 2230a_100000102301_100009888830 [0,2,0,0,0,0|1,0,0]=3 16759 B11R0.159 CCCCNCCCC(C)(C)O 7a_106832991798_100009888830 [0,2,0,0,0,0|1,0,0]=3 16760 B11R0.159 CCCCNCCCC(F)(F)F 2230a_100000102301_100011215983 [0,2,0,0,0,0|2,0,0]=4 16761 B11R0.159 CCCCNCCCC(F)(F)F 2230a_100000727188_100000210211 [0,2,0,0,0,0|2,0,0]=4 16762 B11R0.159 CCCCNCCCC(F)(F)F 34a_100000727188_100000210210 [0,2,0,0,0,0|2,0,0]=4 16763 B11R0.159 CCCCNCCCC(F)(F)F 7a_106832991798_100011216173 [0,2,0,0,0,0|2,0,0]=4 16764 B11R0.159 CCCCOCCCC(C)(C)O 34a_100000210227_100009888830 [0,2,0,0,0,0|1,0,0]=3 16765 B11R0.159 CCCCOCCCC(C)(C)O 7a_100000210227_100009888830 [0,2,0,0,0,0|1,0,0]=3 16766 B11R0.159 CCCCOCCCC(F)(F)F 34a_100000210227_100011215983 [0,2,0,0,0,0|2,0,0]=4 16767 B11R0.159 CCCCOCCCC(F)(F)F 34a_100000749235_100000210210 [0,2,0,0,0,0|2,0,0]=4 16768 B11R0.159 CCCCOCCCC(F)(F)F 7a_100000210227_100011216173 [0,2,0,0,0,0|2,0,0]=4 16769 B11R0.159 CCCCOCNCC(C)(C)O 2230a_100000751335_100011995733 [0,2,0,0,0,0|2,0,0]=4 16770 B11R0.159 CCCCOCSCC(C)(C)O 62a_100000764493_100011995733 [0,2,0,0,0,0|2,0,0]=4 16771 B11R0.159 CCCCOCSCC(C)(C)O 62a_100011995733_100000764493 [0,2,0,0,0,0|2,0,0]=4 16772 B11R0.159 CCCCSCCCC(C)(C)O 62a_100000210211_100009888830 [0,2,0,0,0,0|1,0,0]=3 16773 B11R0.159 CCCCSCCCC(C)(C)O 62a_100009888830_100000210210 [0,2,0,0,0,0|1,0,0]=3 16774 B11R0.159 CCCCSCCCC(F)(F)F 62a_100000210211_100011216173 [0,2,0,0,0,0|2,0,0]=4 16775 B11R0.159 CCCCSCCCC(F)(F)F 62a_100011216173_100000210210 [0,2,0,0,0,0|2,0,0]=4 16776 B11R0.159 CCCOCCCCC(F)(F)F 34a_100000210258_100000692467 [0,2,0,0,0,0|2,0,0]=4 16777 B11R0.159 CCCOCCCCC(F)(F)F 34a_100000749236_100000210303 [0,2,0,0,0,0|2,0,0]=4 16778 B11R0.159 CCCOCCCCC(F)(F)F 7a_100000749236_100000210303 [0,2,0,0,0,0|2,0,0]=4 16779 B11R0.159 CCCOCCNCC(C)(C)O 2230a_100000751335_100011215938 [0,2,0,0,0,0|2,0,0]=4 16780 B11R0.159 CCCOCCNCC(C)(C)O 34a_100161115042_100000764493 [0,2,0,0,0,0|2,0,0]=4 16781 B11R0.159 CCCOCCOCC(C)(C)O 34a_100000752267_100000764493 [0,2,0,0,0,0|2,0,0]=4 16782 B11R0.159 CCCOCCOCC(C)(C)O 7a_100000752267_100000764493 [0,2,0,0,0,0|2,0,0]=4 16783 B11R0.159 CCCOCCSCC(C)(C)O 62a_100000764493_100011215938 [0,2,0,0,0,0|2,0,0]=4 16784 B11R0.159 CCCOCCSCC(C)(C)O 62a_100011215938_100000764493 [0,2,0,0,0,0|2,0,0]=4 16785 B11R0.159 CCCSCCCCC(F)(F)F 62a_100000210303_100000692467 [0,2,0,0,0,0|2,0,0]=4 16786 B11R0.159 CCCSCCCCC(F)(F)F 62a_100000692467_100000210303 [0,2,0,0,0,0|2,0,0]=4 16787 B11R0.159 CCCSCCOCC(C)(C)O 34a_200000230433_100000764493 [0,2,0,0,0,0|2,0,0]=4 16788 B11R0.159 CCCSCCOCC(C)(C)O 7a_200000230433_100000764493 [0,2,0,0,0,0|2,0,0]=4 16789 B11R0.159 CCNCCCCCC(C)(C)O 2230a_100015525214_100010402123 [0,2,0,0,0,0|1,0,0]=3 16790 B11R0.159 CCNCCCCCC(F)(F)F 2230a_100015525214_100010187589 [0,2,0,0,0,0|2,0,0]=4 16791 B11R0.159 CCOCCCCCC(C)(C)O 34a_100121572206_100010402123 [0,2,0,0,0,0|1,0,0]=3 16792 B11R0.159 CCOCCCCCC(F)(F)F 34a_100121572206_100010187589 [0,2,0,0,0,0|2,0,0]=4 16793 B11R0.159 CCOCCCNCC(C)(C)O 2230a_100000751335_100012232248 [0,2,0,0,0,0|2,0,0]=4 16794 B11R0.159 CCOCCCNCC(C)(C)O 34a_100000210961_100000764493 [0,2,0,0,0,0|2,0,0]=4 16795 B11R0.159 CCOCCCOCC(C)(C)O 34a_100000757476_100000764493 [0,2,0,0,0,0|2,0,0]=4 16796 B11R0.159 CCOCCCOCC(C)(C)O 7a_100000757476_100000764493 [0,2,0,0,0,0|2,0,0]=4 16797 B11R0.159 CCOCCCSCC(C)(C)O 62a_100000764493_100012232248 [0,2,0,0,0,0|2,0,0]=4 16798 B11R0.159 CCOCCCSCC(C)(C)O 62a_100012232248_100000764493 [0,2,0,0,0,0|2,0,0]=4 16799 B11R0.159 CCOCCNCCC(C)(C)O 2230a_102516460346_100000702414 [0,2,0,0,0,0|2,0,0]=4 16800 B11R0.159 CCOCCNCCC(C)(C)O 34a_102516460346_100000702414 [0,2,0,0,0,0|2,0,0]=4 16801 B11R0.159 CCOCCOCCC(C)(C)O 34a_100000210136_100000702414 [0,2,0,0,0,0|2,0,0]=4 16802 B11R0.159 CCOCCOCCC(C)(C)O 7a_100000210136_100000702414 [0,2,0,0,0,0|2,0,0]=4 16803 B11R0.159 CCOCCSCCC(C)(C)O 62a_100000210147_100000702414 [0,2,0,0,0,0|2,0,0]=4 16804 B11R0.159 CCOCCSCCC(C)(C)O 62a_100000702414_100011215890 [0,2,0,0,0,0|2,0,0]=4 16805 B11R0.159 CCOCSCCCC(C)(C)O 62a_100000739092_100009888830 [0,2,0,0,0,0|2,0,0]=4 16806 B11R0.159 CCOCSCCCC(C)(C)O 62a_100009888830_100000739092 [0,2,0,0,0,0|2,0,0]=4 16807 B11R0.159 CCSCCCCCC(C)(C)O 62a_100000210202_100010402123 [0,2,0,0,0,0|1,0,0]=3 16808 B11R0.159 CCSCCCCCC(C)(C)O 62a_100010402123_100000210202 [0,2,0,0,0,0|1,0,0]=3 16809 B11R0.159 CCSCCCCCC(F)(F)F 62a_100000210202_100010187589 [0,2,0,0,0,0|2,0,0]=4 16810 B11R0.159 CCSCCCCCC(F)(F)F 62a_100010187589_100000210202 [0,2,0,0,0,0|2,0,0]=4 16811 B11R0.159 CCSCCCOCC(C)(C)O 34a_100011216438_100000764493 [0,2,0,0,0,0|2,0,0]=4 16812 B11R0.159 CCSCCCOCC(C)(C)O 7a_100011216438_100000764493 [0,2,0,0,0,0|2,0,0]=4 16813 B11R0.159 CCSCCNCCC(C)(C)O 2230a_100000106463_100000702414 [0,2,0,0,0,0|2,0,0]=4 16814 B11R0.159 CCSCCOCCC(C)(C)O 34a_100000212035_100000702414 [0,2,0,0,0,0|2,0,0]=4 16815 B11R0.159 CCSCCOCCC(C)(C)O 7a_100000212035_100000702414 [0,2,0,0,0,0|2,0,0]=4 16816 B11R0.159 CCSCCSCCC(C)(C)O 62a_100000702414_100000757381 [0,2,0,0,0,0|2,0,0]=4 16817 B11R0.159 CCSCCSCCC(C)(C)O 62a_100000757381_100000702414 [0,2,0,0,0,0|2,0,0]=4 16818 B11R0.159 CNCCCOCCC(C)(C)O 34a_100000213112_100000702414 [0,2,0,0,0,0|2,0,0]=4 16819 B11R0.159 COCCCCNCC(C)(C)O 2230a_100000751335_100000730899 [0,2,0,0,0,0|2,0,0]=4 16820 B11R0.159 COCCCCOCC(C)(C)O 34a_100000740925_100000764493 [0,2,0,0,0,0|2,0,0]=4 16821 B11R0.159 COCCCCSCC(C)(C)O 62a_100000730899_100000764493 [0,2,0,0,0,0|2,0,0]=4 16822 B11R0.159 COCCCCSCC(C)(C)O 62a_100000764493_100000730899 [0,2,0,0,0,0|2,0,0]=4 16823 B11R0.159 COCCCNCCC(C)(C)O 34a_100150723488_100000702414 [0,2,0,0,0,0|2,0,0]=4 16824 B11R0.159 COCCCOCCC(C)(C)O 34a_100000740835_100000702414 [0,2,0,0,0,0|2,0,0]=4 16825 B11R0.159 COCCCSCCC(C)(C)O 62a_100000702414_100000709357 [0,2,0,0,0,0|2,0,0]=4 16826 B11R0.159 COCCCSCCC(C)(C)O 62a_100000709357_100000702414 [0,2,0,0,0,0|2,0,0]=4 16827 B11R0.159 COCCNCCCC(C)(C)O 2230a_100000209980_100009888830 [0,2,0,0,0,0|2,0,0]=4 16828 B11R0.159 COCCOCCCC(C)(C)O 34a_100000210237_100009888830 [0,2,0,0,0,0|2,0,0]=4 16829 B11R0.159 COCCSCCCC(C)(C)O 62a_100000233755_100009888830 [0,2,0,0,0,0|2,0,0]=4 16830 B11R0.159 COCCSCCCC(C)(C)O 62a_100009888830_100000233755 [0,2,0,0,0,0|2,0,0]=4 16831 B11R0.159 CS(=O)(=O)CCCNCCCO 2230a_100000742409_100000230001 [0,2,0,0,0,0|2,0,0]=4 16832 B11R0.159 CS(=O)(=O)CCCNCCCO 34a_100000742409_100000230001 [0,2,0,0,0,0|2,0,0]=4 16833 B11R0.159 CS(=O)(=O)CCCOCCCO 34a_100000689940_100000230001 [0,2,0,0,0,0|2,0,0]=4 16834 B11R0.159 CS(=O)(=O)CCCOCCCO 7a_100000689940_100011215043 [0,2,0,0,0,0|2,0,0]=4 16835 B11R0.159 CS(=O)(=O)CCCSCCCO 62a_100000754308_100011215043 [0,2,0,0,0,0|2,0,0]=4 16836 B11R0.159 CS(=O)(=O)CCCSCCCO 62a_100011215043_100000754308 [0,2,0,0,0,0|2,0,0]=4 16837 B11R0.159 CS(=O)(=O)CCNCCCCO 2230a_100000740961_100000210776 [0,2,0,0,0,0|2,0,0]=4 16838 B11R0.159 CS(=O)(=O)CCNCCCCO 2230a_100000750430_100000731031 [0,2,0,0,0,0|2,0,0]=4 16839 B11R0.159 CS(=O)(=O)CCNCCCCO 34a_100000740961_100011216708 [0,2,0,0,0,0|2,0,0]=4 16840 B11R0.159 CS(=O)(=O)CCNCCCCO 34a_100000750430_100000731031 [0,2,0,0,0,0|2,0,0]=4 16841 B11R0.159 CS(=O)(=O)CCOCCCCO 34a_100000211924_100011216708 [0,2,0,0,0,0|2,0,0]=4 16842 B11R0.159 CS(=O)(=O)CCOCCCCO 7a_100000211924_100000210776 [0,2,0,0,0,0|2,0,0]=4 16843 B11R0.159 CS(=O)(=O)CCSCCCCO 62a_100000210776_100000230027 [0,2,0,0,0,0|2,0,0]=4 16844 B11R0.159 CS(=O)(=O)CCSCCCCO 62a_100000731031_100000210776 [0,2,0,0,0,0|2,0,0]=4 16845 B11R0.159 CS(=O)(=O)NCCCCCCO 40a_100000686447_100000738038 [0,2,0,0,0,0|2,0,0]=4 16846 B11R0.159 CSCCCCOCC(C)(C)O 34a_100011217163_100000764493 [0,2,0,0,0,0|2,0,0]=4 16847 B11R0.159 CSCCCCOCC(C)(C)O 7a_100011217163_100000764493 [0,2,0,0,0,0|2,0,0]=4 16848 B11R0.159 CSCCCNCCC(C)(C)O 2230a_100000749238_100000702414 [0,2,0,0,0,0|2,0,0]=4 16849 B11R0.159 CSCCCOCCC(C)(C)O 34a_100000690336_100000702414 [0,2,0,0,0,0|2,0,0]=4 16850 B11R0.159 CSCCCOCCC(C)(C)O 7a_100000690336_100000702414 [0,2,0,0,0,0|2,0,0]=4 16851 B11R0.159 CSCCNCCCC(C)(C)O 2230a_100020590264_100009888830 [0,2,0,0,0,0|2,0,0]=4 16852 B11R0.159 CSCCOCCCC(C)(C)O 34a_100000230434_100009888830 [0,2,0,0,0,0|2,0,0]=4 16853 B11R0.159 CSCCOCCCC(C)(C)O 7a_100000230434_100009888830 [0,2,0,0,0,0|2,0,0]=4 16854 B11R0.159 CSCCSCCCC(C)(C)O 62a_100000212216_100009888830 [0,2,0,0,0,0|2,0,0]=4 16855 B11R0.159 CSCCSCCCC(C)(C)O 62a_100009888830_100000751147 [0,2,0,0,0,0|2,0,0]=4 16856 B11R0.159 C[N+](C)(C)CCCSCCCO 62a_100011215043_100016990835 [0,2,0,0,0,0|2,0,0]=4 16857 B11R0.159 C[N+](C)(C)CCCSCCCO 62a_100016990835_100011215043 [0,2,0,0,0,0|2,0,0]=4 16858 B11R0.159 C[N+](C)(C)CCNCCCCO 34a_100000750430_100000085578 [0,2,0,0,0,0|2,0,0]=4 16859 B11R0.159 C[N+](C)(C)CCOCCCCO 7a_200020618287_100000210776 [0,2,0,0,0,0|2,0,0]=4 16860 B11R0.159 C[N+](C)(C)CCSCCCCO 62a_100000085578_100000210776 [0,2,0,0,0,0|2,0,0]=4 16861 B11R0.159 C[N+](C)(C)CCSCCCCO 62a_100000210776_100000085578 [0,2,0,0,0,0|2,0,0]=4 16862 B11R0.159 C[N+](C)(C)CSCCCCCO 62a_100000746330_200000036245 [0,2,0,0,0,0|2,0,0]=4 16863 B11R0.159 C[N+](C)(C)CSCCCCCO 62a_200000036245_100000746330 [0,2,0,0,0,0|2,0,0]=4 16864 B11R0.159 C[Si](C)(C)CCCCOCCO 7a_200009881916_100000211926 [0,2,0,0,0,0|1,1,0]=4 16865 B11R0.159 C[Si](C)(C)CCCOCCCO 7a_200011215415_100011215043 [0,2,0,0,0,0|1,1,0]=4 16866 B11R0.159 C[Si](C)(C)CCCSCCCO 62a_100011215043_100011219597 [0,2,0,0,0,0|1,1,0]=4 16867 B11R0.159 C[Si](C)(C)CCCSCCCO 62a_100011219597_100011215043 [0,2,0,0,0,0|1,1,0]=4 16868 B11R0.159 C[Si](C)(C)CCNCCCCO 2230a_100000750430_200000733723 [0,2,0,0,0,0|1,1,0]=4 16869 B11R0.159 C[Si](C)(C)CCNCCCCO 34a_100000750430_200000733723 [0,2,0,0,0,0|1,1,0]=4 16870 B11R0.159 C[Si](C)(C)CCOCCCCO 7a_100000039746_100000210776 [0,2,0,0,0,0|1,1,0]=4 16871 B11R0.159 C[Si](C)(C)CCSCCCCO 62a_100000210776_200000733723 [0,2,0,0,0,0|1,1,0]=4 16872 B11R0.159 C[Si](C)(C)CCSCCCCO 62a_200000733723_100000210776 [0,2,0,0,0,0|1,1,0]=4 16873 B11R0.159 C[Si](C)(C)CNCCCCCO 2230a_100000762737_100000037933 [0,2,0,0,0,0|1,1,0]=4 16874 B11R0.159 C[Si](C)(C)CSCCCCCO 62a_100000037933_100000746330 [0,2,0,0,0,0|1,1,0]=4 16875 B11R0.159 C[Si](C)(C)CSCCCCCO 62a_100000746330_100000037933 [0,2,0,0,0,0|1,1,0]=4 16876 B11R0.159 OCCCCCCNC(F)(F)F 34a_100000686447_200103152311 [0,2,0,0,0,0|2,0,0]=4 16877 B11R0.159 OCCCCCCSC(F)(F)F 62a_100000766143_200103152311 [0,2,0,0,0,0|2,0,0]=4 16878 B11R0.159 OCCCCCCSC(F)(F)F 62a_200000243211_100000766143 [0,2,0,0,0,0|2,0,0]=4 16879 B11R0.159 OCCCCCNCC(F)(F)F 2230a_100000762737_100000763148 [0,2,0,0,0,0|2,0,0]=4 16880 B11R0.159 OCCCCCNCC(F)(F)F 34a_100000717047_100000746330 [0,2,0,0,0,0|2,0,0]=4 16881 B11R0.159 OCCCCCOCC(F)(F)Br 34a_100011217949_100000746330 [0,2,0,0,0,0|2,0,0]=4 16882 B11R0.159 OCCCCCOCC(F)(F)Cl 34a_100000734434_100000746330 [0,2,0,0,0,0|2,0,0]=4 16883 B11R0.159 OCCCCCOCC(F)(F)F 34a_100000210435_100000746330 [0,2,0,0,0,0|2,0,0]=4 16884 B11R0.159 OCCCCCSCC(F)(F)F 62a_100000746330_100000763148 [0,2,0,0,0,0|2,0,0]=4 16885 B11R0.159 OCCCCCSCC(F)(F)F 62a_100000763148_100000746330 [0,2,0,0,0,0|2,0,0]=4 16886 B11R0.159 OCCCCNCCC(F)(F)F 2230a_100000740434_100000210776 [0,2,0,0,0,0|2,0,0]=4 16887 B11R0.159 OCCCCNCCC(F)(F)F 34a_100000740434_100011216708 [0,2,0,0,0,0|2,0,0]=4 16888 B11R0.159 OCCCCNCCC(F)(F)F 34a_100000750430_100011219754 [0,2,0,0,0,0|2,0,0]=4 16889 B11R0.159 OCCCCOCCC(F)(F)F 34a_100000752437_100011216708 [0,2,0,0,0,0|2,0,0]=4 16890 B11R0.159 OCCCCSCCC(F)(F)F 62a_100000210776_100011219754 [0,2,0,0,0,0|2,0,0]=4 16891 B11R0.159 OCCCCSCCC(F)(F)F 62a_100011219754_100000210776 [0,2,0,0,0,0|2,0,0]=4 16892 B11R0.159 OCCCNCCCC(F)(F)F 2230a_100000727188_100000230001 [0,2,0,0,0,0|2,0,0]=4 16893 B11R0.159 OCCCNCCCC(F)(F)F 34a_100000727188_100000230001 [0,2,0,0,0,0|2,0,0]=4 16894 B11R0.159 OCCCOCCCC(F)(F)F 34a_100000749235_100000230001 [0,2,0,0,0,0|2,0,0]=4 16895 B11R0.159 OCCCSCCCC(F)(F)F 62a_100011215043_100011216173 [0,2,0,0,0,0|2,0,0]=4 16896 B11R0.159 OCCCSCCCC(F)(F)F 62a_100011216173_100011215043 [0,2,0,0,0,0|2,0,0]=4 16897 B11R0.159 OCCNCCCCC(F)(F)F 2230a_100016997473_100000692467 [0,2,0,0,0,0|2,0,0]=4 16898 B11R0.159 OCCNCCCCC(F)(F)F 34a_100016990907_100000692467 [0,2,0,0,0,0|2,0,0]=4 16899 B11R0.159 OCCOCCCCC(F)(F)F 34a_100000749236_100000211926 [0,2,0,0,0,0|2,0,0]=4 16900 B11R0.159 OCCOCCCCC(F)(F)F 7a_100000749236_100000211926 [0,2,0,0,0,0|2,0,0]=4 16901 B11R0.159 OCCSCCCCC(F)(F)F 62a_100000211926_100000692467 [0,2,0,0,0,0|2,0,0]=4 16902 B11R0.159 OCCSCCCCC(F)(F)F 62a_100000692467_100000211926 [0,2,0,0,0,0|2,0,0]=4 16903 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [0,2,0,0,0,0|0,0,1]=3 16904 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [0,2,0,0,0,0|0,0,1]=3 16905 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [0,2,0,0,0,0|0,0,1]=3 16906 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [0,2,0,0,0,0|0,0,1]=3 16907 B11R0.3 C#CCCCCCCCNCC 2230a_100015525214_100153394163 [0,2,0,0,0,0|1,0,0]=3 16908 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [0,2,0,0,0,0|1,0,0]=3 16909 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [0,2,0,0,0,0|1,0,0]=3 16910 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [0,2,0,0,0,0|1,0,0]=3 16911 B11R0.3 C#CCCCCCCCOCF 34a_100000054614_100015361967 [0,2,0,0,0,0|0,0,2]=4 16912 B11R0.3 C#CCCCCCCCOCF 7a_100000054614_100015361967 [0,2,0,0,0,0|0,0,2]=4 16913 B11R0.3 C#CCCCCCCCSCC 62a_100000210202_100153394163 [0,2,0,0,0,0|1,0,0]=3 16914 B11R0.3 C#CCCCCCCCSCC 62a_100153394163_100000210202 [0,2,0,0,0,0|1,0,0]=3 16915 B11R0.3 C#CCCCCCCCSCF 62a_100015361967_100153394163 [0,2,0,0,0,0|1,0,1]=4 16916 B11R0.3 C#CCCCCCCCSCF 62a_100153394163_100015361967 [0,2,0,0,0,0|1,0,1]=4 16917 B11R0.3 C#CCCCCCCNCCF 34a_100000724931_100012276617 [0,2,0,0,0,0|1,0,1]=4 16918 B11R0.3 C#CCCCCCCNCCO 2230a_100016997473_100012276617 [0,2,0,0,0,0|0,0,1]=3 16919 B11R0.3 C#CCCCCCCNCCO 34a_100016990907_100012276617 [0,2,0,0,0,0|0,0,1]=3 16920 B11R0.3 C#CCCCCCCOCCBr 34a_100000211926_100012276617 [0,2,0,0,0,0|1,0,1]=4 16921 B11R0.3 C#CCCCCCCOCCC 34a_100000210258_100012276617 [0,2,0,0,0,0|1,0,0]=3 16922 B11R0.3 C#CCCCCCCOCCC 34a_100011217361_100000210303 [0,2,0,0,0,0|1,0,0]=3 16923 B11R0.3 C#CCCCCCCOCCC 7a_100011217361_100000210303 [0,2,0,0,0,0|1,0,0]=3 16924 B11R0.3 C#CCCCCCCOCCF 34a_100011217361_100011217306 [0,2,0,0,0,0|1,0,1]=4 16925 B11R0.3 C#CCCCCCCOCCF 7a_100011217361_100011217306 [0,2,0,0,0,0|1,0,1]=4 16926 B11R0.3 C#CCCCCCCOCCN 34a_100000210304_100012276617 [0,2,0,0,0,0|1,0,1]=4 16927 B11R0.3 C#CCCCCCCOCCO 34a_100011217361_100000211926 [0,2,0,0,0,0|0,0,1]=3 16928 B11R0.3 C#CCCCCCCOCCO 7a_100011217361_100000211926 [0,2,0,0,0,0|0,0,1]=3 16929 B11R0.3 C#CCCCCCCOCSC 34a_100011217361_100011218213 [0,2,0,0,0,0|1,0,1]=4 16930 B11R0.3 C#CCCCCCCSCCC 62a_100000210303_100012276617 [0,2,0,0,0,0|1,0,0]=3 16931 B11R0.3 C#CCCCCCCSCCC 62a_100012276617_100000210303 [0,2,0,0,0,0|1,0,0]=3 16932 B11R0.3 C#CCCCCCCSCCF 62a_100011217306_100012276617 [0,2,0,0,0,0|1,0,1]=4 16933 B11R0.3 C#CCCCCCCSCCF 62a_100012276617_100011217306 [0,2,0,0,0,0|1,0,1]=4 16934 B11R0.3 C#CCCCCCCSCCO 62a_100000211926_100012276617 [0,2,0,0,0,0|0,0,1]=3 16935 B11R0.3 C#CCCCCCCSCCO 62a_100012276617_100000211926 [0,2,0,0,0,0|0,0,1]=3 16936 B11R0.3 C#CCCCCCCSCOC 62a_100000766300_100012276617 [0,2,0,0,0,0|0,0,2]=4 16937 B11R0.3 C#CCCCCCCSCOC 62a_100012276617_100000766300 [0,2,0,0,0,0|0,0,2]=4 16938 B11R0.3 C#CCCCCCCSCSC 62a_100011218213_100012276617 [0,2,0,0,0,0|1,0,1]=4 16939 B11R0.3 C#CCCCCCCSCSC 62a_100012276617_100011218213 [0,2,0,0,0,0|1,0,1]=4 16940 B11R0.3 C#CCCCCCNCCCC 2230a_100000102301_100012094781 [0,2,0,0,0,0|1,0,0]=3 16941 B11R0.3 C#CCCCCCNCCCC 7a_106832991798_100012094781 [0,2,0,0,0,0|1,0,0]=3 16942 B11R0.3 C#CCCCCCNCCCF 2230a_100015189416_100012094781 [0,2,0,0,0,0|1,0,1]=4 16943 B11R0.3 C#CCCCCCNCCCF 34a_100015189416_100012094781 [0,2,0,0,0,0|1,0,1]=4 16944 B11R0.3 C#CCCCCCNCCOC 2230a_100000209980_100012094781 [0,2,0,0,0,0|0,0,2]=4 16945 B11R0.3 C#CCCCCCNCCSC 2230a_100020590264_100012094781 [0,2,0,0,0,0|1,0,1]=4 16946 B11R0.3 C#CCCCCCOCCCBr 34a_100011217188_100012094781 [0,2,0,0,0,0|1,0,1]=4 16947 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [0,2,0,0,0,0|1,0,0]=3 16948 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [0,2,0,0,0,0|1,0,0]=3 16949 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [0,2,0,0,0,0|1,0,0]=3 16950 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [0,2,0,0,0,0|1,0,0]=3 16951 B11R0.3 C#CCCCCCOCCCCl 34a_100000230001_100012094781 [0,2,0,0,0,0|1,0,1]=4 16952 B11R0.3 C#CCCCCCOCCCF 34a_100000759539_100012094781 [0,2,0,0,0,0|1,0,1]=4 16953 B11R0.3 C#CCCCCCOCCCF 34a_100000766912_100011934791 [0,2,0,0,0,0|1,0,1]=4 16954 B11R0.3 C#CCCCCCOCCCF 7a_100000766912_100011934791 [0,2,0,0,0,0|1,0,1]=4 16955 B11R0.3 C#CCCCCCOCCCN 34a_100000182051_100012094781 [0,2,0,0,0,0|1,0,1]=4 16956 B11R0.3 C#CCCCCCOCCCO 34a_100000766912_100000230001 [0,2,0,0,0,0|0,0,1]=3 16957 B11R0.3 C#CCCCCCOCCCO 7a_100000766912_100011215043 [0,2,0,0,0,0|0,0,1]=3 16958 B11R0.3 C#CCCCCCOCCOC 34a_100000210237_100012094781 [0,2,0,0,0,0|0,0,2]=4 16959 B11R0.3 C#CCCCCCOCCOC 34a_100000766912_100011201679 [0,2,0,0,0,0|0,0,2]=4 16960 B11R0.3 C#CCCCCCOCCOC 7a_100000766912_100000233755 [0,2,0,0,0,0|0,0,2]=4 16961 B11R0.3 C#CCCCCCOCCON 34a_100000700252_100012094781 [0,2,0,0,0,0|0,0,2]=4 16962 B11R0.3 C#CCCCCCOCCSC 34a_100000230434_100012094781 [0,2,0,0,0,0|1,0,1]=4 16963 B11R0.3 C#CCCCCCOCCSC 34a_100000766912_100000212216 [0,2,0,0,0,0|1,0,1]=4 16964 B11R0.3 C#CCCCCCOCCSC 7a_100000230434_100012094781 [0,2,0,0,0,0|1,0,1]=4 16965 B11R0.3 C#CCCCCCOCCSC 7a_100000766912_100000212216 [0,2,0,0,0,0|1,0,1]=4 16966 B11R0.3 C#CCCCCCSCCCC 62a_100000210211_100012094781 [0,2,0,0,0,0|1,0,0]=3 16967 B11R0.3 C#CCCCCCSCCCC 62a_100012094781_100000210210 [0,2,0,0,0,0|1,0,0]=3 16968 B11R0.3 C#CCCCCCSCCCF 62a_100011934791_100012094781 [0,2,0,0,0,0|1,0,1]=4 16969 B11R0.3 C#CCCCCCSCCCF 62a_100012094781_100011934791 [0,2,0,0,0,0|1,0,1]=4 16970 B11R0.3 C#CCCCCCSCCCO 62a_100011215043_100012094781 [0,2,0,0,0,0|0,0,1]=3 16971 B11R0.3 C#CCCCCCSCCCO 62a_100012094781_100011215043 [0,2,0,0,0,0|0,0,1]=3 16972 B11R0.3 C#CCCCCCSCCOC 62a_100000233755_100012094781 [0,2,0,0,0,0|0,0,2]=4 16973 B11R0.3 C#CCCCCCSCCOC 62a_100012094781_100000233755 [0,2,0,0,0,0|0,0,2]=4 16974 B11R0.3 C#CCCCCCSCCSC 62a_100000212216_100012094781 [0,2,0,0,0,0|1,0,1]=4 16975 B11R0.3 C#CCCCCCSCCSC 62a_100012094781_100000751147 [0,2,0,0,0,0|1,0,1]=4 16976 B11R0.3 C#CCCCCCSCOCC 62a_100000739092_100012094781 [0,2,0,0,0,0|1,0,1]=4 16977 B11R0.3 C#CCCCCCSCOCC 62a_100012094781_100000739092 [0,2,0,0,0,0|1,0,1]=4 16978 B11R0.3 C#CCCCCNCCCCC 2230a_100000209983_100010269958 [0,2,0,0,0,0|1,0,0]=3 16979 B11R0.3 C#CCCCCNCCCCC 2230a_100000706060_100000210326 [0,2,0,0,0,0|1,0,0]=3 16980 B11R0.3 C#CCCCCNCCCCC 34a_100000706060_100000718602 [0,2,0,0,0,0|1,0,0]=3 16981 B11R0.3 C#CCCCCNCCCCF 2230a_100000706060_100000729493 [0,2,0,0,0,0|1,0,1]=4 16982 B11R0.3 C#CCCCCNCCCCF 34a_100000706060_100000729493 [0,2,0,0,0,0|1,0,1]=4 16983 B11R0.3 C#CCCCCNCCCCO 2230a_100000706060_100000210776 [0,2,0,0,0,0|0,0,1]=3 16984 B11R0.3 C#CCCCCNCCCCO 2230a_100000750430_100010269958 [0,2,0,0,0,0|0,0,1]=3 16985 B11R0.3 C#CCCCCNCCCCO 34a_100000706060_100011216708 [0,2,0,0,0,0|0,0,1]=3 16986 B11R0.3 C#CCCCCNCCCCO 34a_100000750430_100010269958 [0,2,0,0,0,0|0,0,1]=3 16987 B11R0.3 C#CCCCCNCCCOC 2230a_100000706060_100000740836 [0,2,0,0,0,0|0,0,2]=4 16988 B11R0.3 C#CCCCCNCCCOC 34a_100000706060_100000740836 [0,2,0,0,0,0|0,0,2]=4 16989 B11R0.3 C#CCCCCNCCCOC 34a_100150723488_100010269958 [0,2,0,0,0,0|0,0,2]=4 16990 B11R0.3 C#CCCCCNCCCSC 2230a_100000749238_100010269958 [0,2,0,0,0,0|1,0,1]=4 16991 B11R0.3 C#CCCCCNCCOCC 2230a_100000706060_100011215890 [0,2,0,0,0,0|1,0,1]=4 16992 B11R0.3 C#CCCCCNCCOCC 2230a_102516460346_100010269958 [0,2,0,0,0,0|1,0,1]=4 16993 B11R0.3 C#CCCCCNCCOCC 34a_100000706060_100000210147 [0,2,0,0,0,0|1,0,1]=4 16994 B11R0.3 C#CCCCCNCCOCC 34a_102516460346_100010269958 [0,2,0,0,0,0|1,0,1]=4 16995 B11R0.3 C#CCCCCNCCSCC 2230a_100000106463_100010269958 [0,2,0,0,0,0|1,0,1]=4 16996 B11R0.3 C#CCCCCNCCSCC 2230a_100000706060_100000757381 [0,2,0,0,0,0|1,0,1]=4 16997 B11R0.3 C#CCCCCNCCSCC 34a_100000706060_100000757381 [0,2,0,0,0,0|1,0,1]=4 16998 B11R0.3 C#CCCCCOCCCCBr 34a_100011216708_100010269958 [0,2,0,0,0,0|1,0,1]=4 16999 B11R0.3 C#CCCCCOCCCCC 34a_100000210253_100010269958 [0,2,0,0,0,0|1,0,0]=3 17000 B11R0.3 C#CCCCCOCCCCC 34a_100000766709_100000718602 [0,2,0,0,0,0|1,0,0]=3 17001 B11R0.3 C#CCCCCOCCCCC 7a_100000210253_100010269958 [0,2,0,0,0,0|1,0,0]=3 17002 B11R0.3 C#CCCCCOCCCCC 7a_100000766709_100000210326 [0,2,0,0,0,0|1,0,0]=3 17003 B11R0.3 C#CCCCCOCCCCCl 34a_100000210776_100010269958 [0,2,0,0,0,0|1,0,1]=4 17004 B11R0.3 C#CCCCCOCCCCCl 7a_100000210776_100010269958 [0,2,0,0,0,0|1,0,1]=4 17005 B11R0.3 C#CCCCCOCCCCF 34a_100000766709_100000729493 [0,2,0,0,0,0|1,0,1]=4 17006 B11R0.3 C#CCCCCOCCCCF 34a_100011995726_100010269958 [0,2,0,0,0,0|1,0,1]=4 17007 B11R0.3 C#CCCCCOCCCCF 7a_100000766709_100000729493 [0,2,0,0,0,0|1,0,1]=4 17008 B11R0.3 C#CCCCCOCCCCF 7a_100011995726_100010269958 [0,2,0,0,0,0|1,0,1]=4 17009 B11R0.3 C#CCCCCOCCCCI 34a_200012148704_100010269958 [0,2,0,0,0,0|1,0,1]=4 17010 B11R0.3 C#CCCCCOCCCCN 34a_100000750430_100010269958 [0,2,0,0,0,0|1,0,1]=4 17011 B11R0.3 C#CCCCCOCCCCO 34a_100000766709_100011216708 [0,2,0,0,0,0|0,0,1]=3 17012 B11R0.3 C#CCCCCOCCCCO 7a_100000766709_100000210776 [0,2,0,0,0,0|0,0,1]=3 17013 B11R0.3 C#CCCCCOCCCNC 34a_100000213112_100010269958 [0,2,0,0,0,0|1,0,1]=4 17014 B11R0.3 C#CCCCCOCCCOC 34a_100000740835_100010269958 [0,2,0,0,0,0|0,0,2]=4 17015 B11R0.3 C#CCCCCOCCCOC 34a_100000766709_100000740836 [0,2,0,0,0,0|0,0,2]=4 17016 B11R0.3 C#CCCCCOCCCOC 7a_100000766709_100000740836 [0,2,0,0,0,0|0,0,2]=4 17017 B11R0.3 C#CCCCCOCCCSC 34a_100000690336_100010269958 [0,2,0,0,0,0|1,0,1]=4 17018 B11R0.3 C#CCCCCOCCCSC 7a_100000690336_100010269958 [0,2,0,0,0,0|1,0,1]=4 17019 B11R0.3 C#CCCCCOCCOCC 34a_100000210136_100010269958 [0,2,0,0,0,0|1,0,1]=4 17020 B11R0.3 C#CCCCCOCCOCC 34a_100000766709_100000210147 [0,2,0,0,0,0|1,0,1]=4 17021 B11R0.3 C#CCCCCOCCOCC 7a_100000210136_100010269958 [0,2,0,0,0,0|1,0,1]=4 17022 B11R0.3 C#CCCCCOCCOCC 7a_100000766709_100011215890 [0,2,0,0,0,0|1,0,1]=4 17023 B11R0.3 C#CCCCCOCCSCC 34a_100000212035_100010269958 [0,2,0,0,0,0|1,0,1]=4 17024 B11R0.3 C#CCCCCOCCSCC 34a_100000766709_100000757381 [0,2,0,0,0,0|1,0,1]=4 17025 B11R0.3 C#CCCCCOCCSCC 7a_100000212035_100010269958 [0,2,0,0,0,0|1,0,1]=4 17026 B11R0.3 C#CCCCCOCCSCC 7a_100000766709_100000757381 [0,2,0,0,0,0|1,0,1]=4 17027 B11R0.3 C#CCCCCSCCCCC 62a_100000210326_100010269958 [0,2,0,0,0,0|1,0,0]=3 17028 B11R0.3 C#CCCCCSCCCCC 62a_100010269958_100000210326 [0,2,0,0,0,0|1,0,0]=3 17029 B11R0.3 C#CCCCCSCCCCF 62a_100000729493_100010269958 [0,2,0,0,0,0|1,0,1]=4 17030 B11R0.3 C#CCCCCSCCCCF 62a_100010269958_100000729493 [0,2,0,0,0,0|1,0,1]=4 17031 B11R0.3 C#CCCCCSCCCCO 62a_100000210776_100010269958 [0,2,0,0,0,0|0,0,1]=3 17032 B11R0.3 C#CCCCCSCCCCO 62a_100010269958_100000210776 [0,2,0,0,0,0|0,0,1]=3 17033 B11R0.3 C#CCCCCSCCCOC 62a_100000709357_100010269958 [0,2,0,0,0,0|0,0,2]=4 17034 B11R0.3 C#CCCCCSCCCOC 62a_100010269958_100000709357 [0,2,0,0,0,0|0,0,2]=4 17035 B11R0.3 C#CCCCCSCCOCC 62a_100000210147_100010269958 [0,2,0,0,0,0|1,0,1]=4 17036 B11R0.3 C#CCCCCSCCOCC 62a_100010269958_100011215890 [0,2,0,0,0,0|1,0,1]=4 17037 B11R0.3 C#CCCCCSCCSCC 62a_100000757381_100010269958 [0,2,0,0,0,0|1,0,1]=4 17038 B11R0.3 C#CCCCCSCCSCC 62a_100010269958_100000757381 [0,2,0,0,0,0|1,0,1]=4 17039 B11R0.3 C#CCCCNCCCCCC 2230a_100000210581_100000731252 [0,2,0,0,0,0|1,0,0]=3 17040 B11R0.3 C#CCCCNCCCCCC 34a_100000718082_100000210314 [0,2,0,0,0,0|1,0,0]=3 17041 B11R0.3 C#CCCCNCCCCCF 34a_100000718082_100000729378 [0,2,0,0,0,0|1,0,1]=4 17042 B11R0.3 C#CCCCNCCCCCO 2230a_100000762737_100000731252 [0,2,0,0,0,0|0,0,1]=3 17043 B11R0.3 C#CCCCNCCCCCO 34a_100000718082_100000746330 [0,2,0,0,0,0|0,0,1]=3 17044 B11R0.3 C#CCCCNCCCCCO 34a_100000762737_100000695029 [0,2,0,0,0,0|0,0,1]=3 17045 B11R0.3 C#CCCCNCCCCOC 34a_100000718082_100000755781 [0,2,0,0,0,0|0,0,2]=4 17046 B11R0.3 C#CCCCNCCCOCC 2230a_100000210961_100000731252 [0,2,0,0,0,0|1,0,1]=4 17047 B11R0.3 C#CCCCNCCCOCC 34a_100000210961_100000695029 [0,2,0,0,0,0|1,0,1]=4 17048 B11R0.3 C#CCCCNCCCOCC 34a_100000718082_100012232248 [0,2,0,0,0,0|1,0,1]=4 17049 B11R0.3 C#CCCCNCCOCCC 2230a_100161115042_100000731252 [0,2,0,0,0,0|1,0,1]=4 17050 B11R0.3 C#CCCCNCCOCCC 34a_100000718082_100011215938 [0,2,0,0,0,0|1,0,1]=4 17051 B11R0.3 C#CCCCNCCOCCC 34a_100161115042_100000695029 [0,2,0,0,0,0|1,0,1]=4 17052 B11R0.3 C#CCCCNCCOCCO 2230a_100000211614_100000731252 [0,2,0,0,0,0|0,0,2]=4 17053 B11R0.3 C#CCCCNCCOCCO 34a_100000211614_100000695029 [0,2,0,0,0,0|0,0,2]=4 17054 B11R0.3 C#CCCCNCCOCCO 34a_100000718082_100000692535 [0,2,0,0,0,0|0,0,2]=4 17055 B11R0.3 C#CCCCNCCSCCC 2230a_100020603323_100000731252 [0,2,0,0,0,0|1,0,1]=4 17056 B11R0.3 C#CCCCNCCSCCO 2230a_100011219999_100000731252 [0,2,0,0,0,0|0,0,2]=4 17057 B11R0.3 C#CCCCNCOCCCC 34a_100000718082_100011995733 [0,2,0,0,0,0|1,0,1]=4 17058 B11R0.3 C#CCCCOCCCCCBr 34a_100000746331_100000695029 [0,2,0,0,0,0|1,0,1]=4 17059 B11R0.3 C#CCCCOCCCCCBr 7a_100000746331_100011215417 [0,2,0,0,0,0|1,0,1]=4 17060 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [0,2,0,0,0,0|1,0,0]=3 17061 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [0,2,0,0,0,0|1,0,0]=3 17062 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [0,2,0,0,0,0|1,0,0]=3 17063 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [0,2,0,0,0,0|1,0,0]=3 17064 B11R0.3 C#CCCCOCCCCCCl 34a_100000746330_100000695029 [0,2,0,0,0,0|1,0,1]=4 17065 B11R0.3 C#CCCCOCCCCCCl 7a_100000746330_100011215417 [0,2,0,0,0,0|1,0,1]=4 17066 B11R0.3 C#CCCCOCCCCCF 34a_100000215630_100000729378 [0,2,0,0,0,0|1,0,1]=4 17067 B11R0.3 C#CCCCOCCCCCF 7a_100000215630_100000729378 [0,2,0,0,0,0|1,0,1]=4 17068 B11R0.3 C#CCCCOCCCCCI 34a_200012148887_100000695029 [0,2,0,0,0,0|1,0,1]=4 17069 B11R0.3 C#CCCCOCCCCCI 7a_200012148887_100011215417 [0,2,0,0,0,0|1,0,1]=4 17070 B11R0.3 C#CCCCOCCCCCN 34a_100000762737_100000695029 [0,2,0,0,0,0|1,0,1]=4 17071 B11R0.3 C#CCCCOCCCCCO 34a_100000215630_100000746330 [0,2,0,0,0,0|0,0,1]=3 17072 B11R0.3 C#CCCCOCCCCCO 7a_100000215630_100000746330 [0,2,0,0,0,0|0,0,1]=3 17073 B11R0.3 C#CCCCOCCCCOC 34a_100000215630_100000755781 [0,2,0,0,0,0|0,0,2]=4 17074 B11R0.3 C#CCCCOCCCCOC 34a_100000740925_100000695029 [0,2,0,0,0,0|0,0,2]=4 17075 B11R0.3 C#CCCCOCCCCOC 7a_100000215630_100000730899 [0,2,0,0,0,0|0,0,2]=4 17076 B11R0.3 C#CCCCOCCCCSC 34a_100011217163_100000695029 [0,2,0,0,0,0|1,0,1]=4 17077 B11R0.3 C#CCCCOCCCCSC 7a_100011217163_100011215417 [0,2,0,0,0,0|1,0,1]=4 17078 B11R0.3 C#CCCCOCCCOCC 34a_100000215630_100012232248 [0,2,0,0,0,0|1,0,1]=4 17079 B11R0.3 C#CCCCOCCCOCC 34a_100000757476_100000695029 [0,2,0,0,0,0|1,0,1]=4 17080 B11R0.3 C#CCCCOCCCOCC 7a_100000215630_100012232248 [0,2,0,0,0,0|1,0,1]=4 17081 B11R0.3 C#CCCCOCCCOCC 7a_100000757476_100011215417 [0,2,0,0,0,0|1,0,1]=4 17082 B11R0.3 C#CCCCOCCCSCC 34a_100011216438_100000695029 [0,2,0,0,0,0|1,0,1]=4 17083 B11R0.3 C#CCCCOCCCSCC 7a_100011216438_100011215417 [0,2,0,0,0,0|1,0,1]=4 17084 B11R0.3 C#CCCCOCCOCCC 34a_100000215630_100011215938 [0,2,0,0,0,0|1,0,1]=4 17085 B11R0.3 C#CCCCOCCOCCC 34a_100000752267_100000695029 [0,2,0,0,0,0|1,0,1]=4 17086 B11R0.3 C#CCCCOCCOCCC 7a_100000215630_100011215938 [0,2,0,0,0,0|1,0,1]=4 17087 B11R0.3 C#CCCCOCCOCCC 7a_100000752267_100011215417 [0,2,0,0,0,0|1,0,1]=4 17088 B11R0.3 C#CCCCOCCOCCO 34a_100000215630_100000692535 [0,2,0,0,0,0|0,0,2]=4 17089 B11R0.3 C#CCCCOCCOCCO 7a_100000215630_100011215305 [0,2,0,0,0,0|0,0,2]=4 17090 B11R0.3 C#CCCCOCCSCCC 34a_200000230433_100000695029 [0,2,0,0,0,0|1,0,1]=4 17091 B11R0.3 C#CCCCOCCSCCC 7a_200000230433_100011215417 [0,2,0,0,0,0|1,0,1]=4 17092 B11R0.3 C#CCCCOCOCCCC 34a_100000215630_100011995733 [0,2,0,0,0,0|1,0,1]=4 17093 B11R0.3 C#CCCCSCCCCCC 62a_100000210314_100011215417 [0,2,0,0,0,0|1,0,0]=3 17094 B11R0.3 C#CCCCSCCCCCC 62a_100011215417_100000210757 [0,2,0,0,0,0|1,0,0]=3 17095 B11R0.3 C#CCCCSCCCCCF 62a_100000729378_100011215417 [0,2,0,0,0,0|1,0,1]=4 17096 B11R0.3 C#CCCCSCCCCCF 62a_100011215417_100000729378 [0,2,0,0,0,0|1,0,1]=4 17097 B11R0.3 C#CCCCSCCCCCO 62a_100000746330_100011215417 [0,2,0,0,0,0|0,0,1]=3 17098 B11R0.3 C#CCCCSCCCCCO 62a_100011215417_100000746330 [0,2,0,0,0,0|0,0,1]=3 17099 B11R0.3 C#CCCCSCCCCOC 62a_100000730899_100011215417 [0,2,0,0,0,0|0,0,2]=4 17100 B11R0.3 C#CCCCSCCCCOC 62a_100011215417_100000730899 [0,2,0,0,0,0|0,0,2]=4 17101 B11R0.3 C#CCCCSCCCOCC 62a_100011215417_100012232248 [0,2,0,0,0,0|1,0,1]=4 17102 B11R0.3 C#CCCCSCCCOCC 62a_100012232248_100011215417 [0,2,0,0,0,0|1,0,1]=4 17103 B11R0.3 C#CCCCSCCOCCC 62a_100011215417_100011215938 [0,2,0,0,0,0|1,0,1]=4 17104 B11R0.3 C#CCCCSCCOCCC 62a_100011215938_100011215417 [0,2,0,0,0,0|1,0,1]=4 17105 B11R0.3 C#CCCCSCCOCCO 62a_100011215305_100011215417 [0,2,0,0,0,0|0,0,2]=4 17106 B11R0.3 C#CCCCSCCOCCO 62a_100011215417_100011215305 [0,2,0,0,0,0|0,0,2]=4 17107 B11R0.3 C#CCCCSCOCCCC 62a_100011215417_100011995733 [0,2,0,0,0,0|1,0,1]=4 17108 B11R0.3 C#CCCCSCOCCCC 62a_100011995733_100011215417 [0,2,0,0,0,0|1,0,1]=4 17109 B11R0.3 C#CCCNCCCCCCC 2230a_100000229938_100000688953 [0,2,0,0,0,0|1,0,0]=3 17110 B11R0.3 C#CCCNCCCCCCC 34a_100000755551_100000210614 [0,2,0,0,0,0|1,0,0]=3 17111 B11R0.3 C#CCCNCCCCCCF 34a_100000755551_100015922095 [0,2,0,0,0,0|1,0,1]=4 17112 B11R0.3 C#CCCNCCCCCCO 2230a_100000686447_100000688953 [0,2,0,0,0,0|0,0,1]=3 17113 B11R0.3 C#CCCNCCCCCCO 34a_100000686447_100000688953 [0,2,0,0,0,0|0,0,1]=3 17114 B11R0.3 C#CCCNCCCCCCO 34a_100000755551_100000766143 [0,2,0,0,0,0|0,0,1]=3 17115 B11R0.3 C#CCCNCCCCCOC 2230a_100000747528_100000688953 [0,2,0,0,0,0|0,0,2]=4 17116 B11R0.3 C#CCCNCCCCCOC 34a_100000747528_100000688953 [0,2,0,0,0,0|0,0,2]=4 17117 B11R0.3 C#CCCNCCCOCCC 2230a_100011217757_100000688953 [0,2,0,0,0,0|1,0,1]=4 17118 B11R0.3 C#CCCNCCCOCCC 34a_100011217757_100000688953 [0,2,0,0,0,0|1,0,1]=4 17119 B11R0.3 C#CCCNCCOCCCC 34a_100000755551_100000743108 [0,2,0,0,0,0|1,0,1]=4 17120 B11R0.3 C#CCCNCCSCCCC 2230a_100025743550_100000688953 [0,2,0,0,0,0|1,0,1]=4 17121 B11R0.3 C#CCCOCCCCCCBr 34a_100011215345_100000688953 [0,2,0,0,0,0|1,0,1]=4 17122 B11R0.3 C#CCCOCCCCCCBr 7a_100011215345_100000688953 [0,2,0,0,0,0|1,0,1]=4 17123 B11R0.3 C#CCCOCCCCCCC 34a_100000210272_100000688953 [0,2,0,0,0,0|1,0,0]=3 17124 B11R0.3 C#CCCOCCCCCCC 34a_100011215631_100000210614 [0,2,0,0,0,0|1,0,0]=3 17125 B11R0.3 C#CCCOCCCCCCC 7a_100000210272_100000688953 [0,2,0,0,0,0|1,0,0]=3 17126 B11R0.3 C#CCCOCCCCCCCl 34a_100000766143_100000688953 [0,2,0,0,0,0|1,0,1]=4 17127 B11R0.3 C#CCCOCCCCCCCl 7a_100000766143_100000688953 [0,2,0,0,0,0|1,0,1]=4 17128 B11R0.3 C#CCCOCCCCCCF 34a_100000732779_100000688953 [0,2,0,0,0,0|1,0,1]=4 17129 B11R0.3 C#CCCOCCCCCCF 34a_100011215631_100015922095 [0,2,0,0,0,0|1,0,1]=4 17130 B11R0.3 C#CCCOCCCCCCF 7a_100000732779_100000688953 [0,2,0,0,0,0|1,0,1]=4 17131 B11R0.3 C#CCCOCCCCCCN 34a_100000686447_100000688953 [0,2,0,0,0,0|1,0,1]=4 17132 B11R0.3 C#CCCOCCCCCCO 34a_100011215631_100000766143 [0,2,0,0,0,0|0,0,1]=3 17133 B11R0.3 C#CCCOCCCCCNC 34a_100000722520_100000688953 [0,2,0,0,0,0|1,0,1]=4 17134 B11R0.3 C#CCCOCCOCCCC 34a_100000210238_100000688953 [0,2,0,0,0,0|1,0,1]=4 17135 B11R0.3 C#CCCOCCOCCCC 34a_100011215631_100000743108 [0,2,0,0,0,0|1,0,1]=4 17136 B11R0.3 C#CCCOCCOCCCC 7a_100000210238_100000688953 [0,2,0,0,0,0|1,0,1]=4 17137 B11R0.3 C#CCCOCCSCCCC 34a_200000230436_100000688953 [0,2,0,0,0,0|1,0,1]=4 17138 B11R0.3 C#CCCOCCSCCCC 7a_200000230436_100000688953 [0,2,0,0,0,0|1,0,1]=4 17139 B11R0.3 C#CCCSCCCCCCC 62a_100000210614_100000688953 [0,2,0,0,0,0|1,0,0]=3 17140 B11R0.3 C#CCCSCCCCCCC 62a_100000688953_100000210316 [0,2,0,0,0,0|1,0,0]=3 17141 B11R0.3 C#CCCSCCCCCCF 62a_100000688953_100015922095 [0,2,0,0,0,0|1,0,1]=4 17142 B11R0.3 C#CCCSCCCCCCF 62a_100015922095_100000688953 [0,2,0,0,0,0|1,0,1]=4 17143 B11R0.3 C#CCCSCCCCCCO 62a_100000688953_100000766143 [0,2,0,0,0,0|0,0,1]=3 17144 B11R0.3 C#CCCSCCCCCCO 62a_100000766143_100000688953 [0,2,0,0,0,0|0,0,1]=3 17145 B11R0.3 C#CCCSCCOCCCC 62a_100000688953_100000743108 [0,2,0,0,0,0|1,0,1]=4 17146 B11R0.3 C#CCCSCCOCCCC 62a_100000743108_100000688953 [0,2,0,0,0,0|1,0,1]=4 17147 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [0,2,0,0,0,0|1,0,0]=3 17148 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [0,2,0,0,0,0|1,0,0]=3 17149 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [0,2,0,0,0,0|1,0,0]=3 17150 B11R0.3 C#CCNCCCCCCCO 2230a_100011996573_100000038162 [0,2,0,0,0,0|0,0,1]=3 17151 B11R0.3 C#CCNCCCCCCCO 34a_100000212058_100000760002 [0,2,0,0,0,0|0,0,1]=3 17152 B11R0.3 C#CCNCCCCCCCO 34a_100011996573_100000184674 [0,2,0,0,0,0|0,0,1]=3 17153 B11R0.3 C#CCNCCCCCCOC 34a_100000212058_100011998445 [0,2,0,0,0,0|0,0,2]=4 17154 B11R0.3 C#CCNCCCOCCCC 2230a_200000211371_100000038162 [0,2,0,0,0,0|1,0,1]=4 17155 B11R0.3 C#CCNCCCOCCCC 34a_200000211371_100000184674 [0,2,0,0,0,0|1,0,1]=4 17156 B11R0.3 C#CCNCCCOCCCO 2230a_100011310245_100000038162 [0,2,0,0,0,0|0,0,2]=4 17157 B11R0.3 C#CCNCCCOCCCO 34a_100011310245_100000184674 [0,2,0,0,0,0|0,0,2]=4 17158 B11R0.3 C#CCOCCCCCCCBr 34a_100000760002_100000184674 [0,2,0,0,0,0|1,0,1]=4 17159 B11R0.3 C#CCOCCCCCCCBr 7a_100000760002_100000038162 [0,2,0,0,0,0|1,0,1]=4 17160 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [0,2,0,0,0,0|1,0,0]=3 17161 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [0,2,0,0,0,0|1,0,0]=3 17162 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [0,2,0,0,0,0|1,0,0]=3 17163 B11R0.3 C#CCOCCCCCCCN 34a_100011996573_100000184674 [0,2,0,0,0,0|1,0,1]=4 17164 B11R0.3 C#CCOCCCCCCCO 34a_100000210247_100000760002 [0,2,0,0,0,0|0,0,1]=3 17165 B11R0.3 C#CCOCCCCCCOC 34a_100000210247_100011998445 [0,2,0,0,0,0|0,0,2]=4 17166 B11R0.3 C#CCOCCCCCCOC 34a_200011021349_200000210301 [0,2,0,0,0,0|0,0,2]=4 17167 B11R0.3 C#CCOCCCCCCOC 34a_200012092642_100000184674 [0,2,0,0,0,0|0,0,2]=4 17168 B11R0.3 C#CCOCCCCCCOC 7a_200011021349_200000210301 [0,2,0,0,0,0|0,0,2]=4 17169 B11R0.3 C#CCOCCCCCCOC 7a_200012092642_100000038162 [0,2,0,0,0,0|0,0,2]=4 17170 B11R0.3 C#CCOCCCCCCO[13CH3] 34a_200011021349_200025704644 [0,2,0,0,0,0|0,0,2]=4 17171 B11R0.3 C#CCOCCCCCCO[13CH3] 7a_200011021349_200025704644 [0,2,0,0,0,0|0,0,2]=4 17172 B11R0.3 C#CCOCCCOCCCC 34a_200011215613_100000184674 [0,2,0,0,0,0|1,0,1]=4 17173 B11R0.3 C#CCOCCCOCCCC 7a_200011215613_100000038162 [0,2,0,0,0,0|1,0,1]=4 17174 B11R0.3 C#CCOCCNCCCCC 2230a_100000209983_100010402529 [0,2,0,0,0,0|1,0,1]=4 17175 B11R0.3 C#CCOCCNCCCCC 2230a_100000700922_100000210326 [0,2,0,0,0,0|1,0,1]=4 17176 B11R0.3 C#CCOCCNCCCCC 34a_100000224656_100000184674 [0,2,0,0,0,0|1,0,1]=4 17177 B11R0.3 C#CCOCCNCCCCC 34a_100000700922_100000718602 [0,2,0,0,0,0|1,0,1]=4 17178 B11R0.3 C#CCOCCNCCCCO 2230a_100000700922_100000210776 [0,2,0,0,0,0|0,0,2]=4 17179 B11R0.3 C#CCOCCNCCCCO 2230a_100000750430_100010402529 [0,2,0,0,0,0|0,0,2]=4 17180 B11R0.3 C#CCOCCNCCCCO 34a_100000700922_100011216708 [0,2,0,0,0,0|0,0,2]=4 17181 B11R0.3 C#CCOCCNCCCCO 34a_100000750430_100010402529 [0,2,0,0,0,0|0,0,2]=4 17182 B11R0.3 C#CCOCCOCCCCC 34a_100000054580_100000718602 [0,2,0,0,0,0|1,0,1]=4 17183 B11R0.3 C#CCOCCOCCCCC 34a_100000210253_100010402529 [0,2,0,0,0,0|1,0,1]=4 17184 B11R0.3 C#CCOCCOCCCCC 34a_100011215259_100000184674 [0,2,0,0,0,0|1,0,1]=4 17185 B11R0.3 C#CCOCCOCCCCC 7a_100000054580_100000210326 [0,2,0,0,0,0|1,0,1]=4 17186 B11R0.3 C#CCOCCOCCCCC 7a_100000210253_100010402529 [0,2,0,0,0,0|1,0,1]=4 17187 B11R0.3 C#CCOCCOCCCCC 7a_100011215259_100000038162 [0,2,0,0,0,0|1,0,1]=4 17188 B11R0.3 C#CCOCCOCCCCO 34a_100000054580_100011216708 [0,2,0,0,0,0|0,0,2]=4 17189 B11R0.3 C#CCOCCOCCCCO 7a_100000054580_100000210776 [0,2,0,0,0,0|0,0,2]=4 17190 B11R0.3 C#CCOCCSCCCCC 62a_100000210326_100010402529 [0,2,0,0,0,0|1,0,1]=4 17191 B11R0.3 C#CCOCCSCCCCC 62a_100010402529_100000210326 [0,2,0,0,0,0|1,0,1]=4 17192 B11R0.3 C#CCOCCSCCCCO 62a_100000210776_100010402529 [0,2,0,0,0,0|0,0,2]=4 17193 B11R0.3 C#CCOCCSCCCCO 62a_100010402529_100000210776 [0,2,0,0,0,0|0,0,2]=4 17194 B11R0.3 C#CCSCCCCCCCC 62a_100000038162_100000210317 [0,2,0,0,0,0|1,0,0]=3 17195 B11R0.3 C#CCSCCCCCCCO 62a_100000038162_100000760002 [0,2,0,0,0,0|0,0,1]=3 17196 B11R0.3 C#CCSCCCCCCOC 62a_100000038162_100011998445 [0,2,0,0,0,0|0,0,2]=4 17197 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [0,2,0,0,0,0|1,0,1]=4 17198 B11R0.3 C/C=C/CCOCCCCCF 34a_100016278192_100000729378 [0,2,0,0,0,0|1,0,1]=4 17199 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [0,2,0,0,0,0|0,0,1]=3 17200 B11R0.3 C/C=C/CCOCCCCOC 34a_100016278192_100000755781 [0,2,0,0,0,0|0,0,2]=4 17201 B11R0.3 C/C=C/CCOCCOCCO 34a_100016278192_100000692535 [0,2,0,0,0,0|0,0,2]=4 17202 B11R0.3 C/C=C/CNCCCCCCO 34a_100000686447_100102629194 [0,2,0,0,0,0|0,0,1]=3 17203 B11R0.3 C/C=C/CNCCCCCOC 34a_100000747528_100102629194 [0,2,0,0,0,0|0,0,2]=4 17204 B11R0.3 C/C=C/COCCCCCCBr 34a_100011215345_100102629194 [0,2,0,0,0,0|1,0,1]=4 17205 B11R0.3 C/C=C/COCCCCCCBr 7a_100011215345_100102629194 [0,2,0,0,0,0|1,0,1]=4 17206 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [0,2,0,0,0,0|1,0,1]=4 17207 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [0,2,0,0,0,0|1,0,1]=4 17208 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [0,2,0,0,0,0|1,0,1]=4 17209 B11R0.3 C/C=C/COCCCCCCCl 34a_100000766143_100102629194 [0,2,0,0,0,0|1,0,1]=4 17210 B11R0.3 C/C=C/COCCCCCCCl 7a_100000766143_100102629194 [0,2,0,0,0,0|1,0,1]=4 17211 B11R0.3 C/C=C/COCCCCCCF 34a_100000732779_100102629194 [0,2,0,0,0,0|1,0,1]=4 17212 B11R0.3 C/C=C/COCCCCCCF 34a_100016270725_100015922095 [0,2,0,0,0,0|1,0,1]=4 17213 B11R0.3 C/C=C/COCCCCCCF 7a_100000732779_100102629194 [0,2,0,0,0,0|1,0,1]=4 17214 B11R0.3 C/C=C/COCCCCCCN 34a_100000686447_100102629194 [0,2,0,0,0,0|1,0,1]=4 17215 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [0,2,0,0,0,0|0,0,1]=3 17216 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [0,2,0,0,0,0|1,0,1]=4 17217 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [0,2,0,0,0,0|1,0,1]=4 17218 B11R0.3 C/C=C/CSCCCCCCF 62a_100015922095_100102629194 [0,2,0,0,0,0|1,0,1]=4 17219 B11R0.3 C/C=C/CSCCCCCCF 62a_100102629194_100015922095 [0,2,0,0,0,0|1,0,1]=4 17220 B11R0.3 C/C=C/CSCCCCCCO 62a_100000766143_100102629194 [0,2,0,0,0,0|0,0,1]=3 17221 B11R0.3 C/C=C/CSCCCCCCO 62a_100102629194_100000766143 [0,2,0,0,0,0|0,0,1]=3 17222 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [0,2,0,0,0,0|1,0,0]=3 17223 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [0,2,0,0,0,0|1,0,0]=3 17224 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [0,2,0,0,0,0|1,0,0]=3 17225 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [0,2,0,0,0,0|0,0,1]=3 17226 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [0,2,0,0,0,0|0,0,1]=3 17227 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [0,2,0,0,0,0|0,0,1]=3 17228 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [0,2,0,0,0,0|0,0,1]=3 17229 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [0,2,0,0,0,0|0,0,1]=3 17230 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [0,2,0,0,0,0|1,0,0]=3 17231 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [0,2,0,0,0,0|1,0,0]=3 17232 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [0,2,0,0,0,0|1,0,0]=3 17233 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [0,2,0,0,0,0|1,0,0]=3 17234 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [0,2,0,0,0,0|1,0,0]=3 17235 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [0,2,0,0,0,0|1,0,0]=3 17236 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [0,2,0,0,0,0|1,0,0]=3 17237 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [0,2,0,0,0,0|1,0,0]=3 17238 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [0,2,0,0,0,0|0,0,2]=4 17239 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [0,2,0,0,0,0|0,0,2]=4 17240 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [0,2,0,0,0,0|1,0,0]=3 17241 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [0,2,0,0,0,0|1,0,0]=3 17242 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [0,2,0,0,0,0|1,0,1]=4 17243 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [0,2,0,0,0,0|1,0,1]=4 17244 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [0,2,0,0,0,0|1,0,1]=4 17245 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [0,2,0,0,0,0|0,0,1]=3 17246 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [0,2,0,0,0,0|0,0,1]=3 17247 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [0,2,0,0,0,0|1,0,1]=4 17248 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [0,2,0,0,0,0|1,0,0]=3 17249 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [0,2,0,0,0,0|1,0,0]=3 17250 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [0,2,0,0,0,0|1,0,0]=3 17251 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [0,2,0,0,0,0|1,0,1]=4 17252 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [0,2,0,0,0,0|1,0,1]=4 17253 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [0,2,0,0,0,0|1,0,1]=4 17254 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [0,2,0,0,0,0|0,0,1]=3 17255 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [0,2,0,0,0,0|0,0,1]=3 17256 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [0,2,0,0,0,0|1,0,1]=4 17257 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [0,2,0,0,0,0|1,0,0]=3 17258 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [0,2,0,0,0,0|1,0,0]=3 17259 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [0,2,0,0,0,0|1,0,1]=4 17260 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [0,2,0,0,0,0|1,0,1]=4 17261 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [0,2,0,0,0,0|0,0,1]=3 17262 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [0,2,0,0,0,0|0,0,1]=3 17263 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [0,2,0,0,0,0|0,0,2]=4 17264 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [0,2,0,0,0,0|0,0,2]=4 17265 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [0,2,0,0,0,0|1,0,1]=4 17266 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [0,2,0,0,0,0|1,0,1]=4 17267 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [0,2,0,0,0,0|1,0,0]=3 17268 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [0,2,0,0,0,0|1,0,0]=3 17269 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [0,2,0,0,0,0|1,0,1]=4 17270 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [0,2,0,0,0,0|1,0,1]=4 17271 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [0,2,0,0,0,0|0,0,2]=4 17272 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [0,2,0,0,0,0|1,0,1]=4 17273 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [0,2,0,0,0,0|1,0,1]=4 17274 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [0,2,0,0,0,0|1,0,0]=3 17275 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [0,2,0,0,0,0|1,0,0]=3 17276 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [0,2,0,0,0,0|1,0,0]=3 17277 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [0,2,0,0,0,0|1,0,0]=3 17278 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [0,2,0,0,0,0|1,0,1]=4 17279 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [0,2,0,0,0,0|1,0,1]=4 17280 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [0,2,0,0,0,0|1,0,1]=4 17281 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [0,2,0,0,0,0|1,0,1]=4 17282 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [0,2,0,0,0,0|1,0,1]=4 17283 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [0,2,0,0,0,0|0,0,1]=3 17284 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [0,2,0,0,0,0|0,0,1]=3 17285 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [0,2,0,0,0,0|0,0,2]=4 17286 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [0,2,0,0,0,0|0,0,2]=4 17287 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [0,2,0,0,0,0|0,0,2]=4 17288 B11R0.3 C=CCCCCCOCCON 34a_100000700252_100000700193 [0,2,0,0,0,0|0,0,2]=4 17289 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [0,2,0,0,0,0|1,0,1]=4 17290 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [0,2,0,0,0,0|1,0,1]=4 17291 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [0,2,0,0,0,0|1,0,1]=4 17292 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [0,2,0,0,0,0|1,0,1]=4 17293 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [0,2,0,0,0,0|1,0,0]=3 17294 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [0,2,0,0,0,0|1,0,0]=3 17295 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [0,2,0,0,0,0|1,0,1]=4 17296 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [0,2,0,0,0,0|1,0,1]=4 17297 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [0,2,0,0,0,0|0,0,1]=3 17298 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [0,2,0,0,0,0|0,0,1]=3 17299 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [0,2,0,0,0,0|0,0,2]=4 17300 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [0,2,0,0,0,0|0,0,2]=4 17301 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [0,2,0,0,0,0|1,0,1]=4 17302 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [0,2,0,0,0,0|1,0,1]=4 17303 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [0,2,0,0,0,0|1,0,1]=4 17304 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [0,2,0,0,0,0|1,0,1]=4 17305 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [0,2,0,0,0,0|1,0,0]=3 17306 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [0,2,0,0,0,0|1,0,0]=3 17307 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [0,2,0,0,0,0|1,0,0]=3 17308 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [0,2,0,0,0,0|1,0,1]=4 17309 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [0,2,0,0,0,0|1,0,1]=4 17310 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [0,2,0,0,0,0|0,0,1]=3 17311 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [0,2,0,0,0,0|0,0,1]=3 17312 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [0,2,0,0,0,0|0,0,1]=3 17313 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [0,2,0,0,0,0|0,0,1]=3 17314 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [0,2,0,0,0,0|0,0,2]=4 17315 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [0,2,0,0,0,0|0,0,2]=4 17316 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [0,2,0,0,0,0|0,0,2]=4 17317 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [0,2,0,0,0,0|1,0,1]=4 17318 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [0,2,0,0,0,0|1,0,1]=4 17319 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [0,2,0,0,0,0|1,0,1]=4 17320 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [0,2,0,0,0,0|1,0,1]=4 17321 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [0,2,0,0,0,0|1,0,1]=4 17322 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [0,2,0,0,0,0|1,0,1]=4 17323 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [0,2,0,0,0,0|1,0,1]=4 17324 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [0,2,0,0,0,0|1,0,1]=4 17325 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [0,2,0,0,0,0|1,0,1]=4 17326 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [0,2,0,0,0,0|1,0,0]=3 17327 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [0,2,0,0,0,0|1,0,0]=3 17328 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [0,2,0,0,0,0|1,0,0]=3 17329 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [0,2,0,0,0,0|1,0,0]=3 17330 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [0,2,0,0,0,0|1,0,1]=4 17331 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [0,2,0,0,0,0|1,0,1]=4 17332 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [0,2,0,0,0,0|1,0,1]=4 17333 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [0,2,0,0,0,0|1,0,1]=4 17334 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [0,2,0,0,0,0|1,0,1]=4 17335 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [0,2,0,0,0,0|1,0,1]=4 17336 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [0,2,0,0,0,0|1,0,1]=4 17337 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [0,2,0,0,0,0|1,0,1]=4 17338 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [0,2,0,0,0,0|0,0,1]=3 17339 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [0,2,0,0,0,0|0,0,1]=3 17340 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [0,2,0,0,0,0|1,0,1]=4 17341 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [0,2,0,0,0,0|0,0,2]=4 17342 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [0,2,0,0,0,0|0,0,2]=4 17343 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [0,2,0,0,0,0|0,0,2]=4 17344 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [0,2,0,0,0,0|1,0,1]=4 17345 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [0,2,0,0,0,0|1,0,1]=4 17346 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [0,2,0,0,0,0|1,0,1]=4 17347 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [0,2,0,0,0,0|1,0,1]=4 17348 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [0,2,0,0,0,0|1,0,1]=4 17349 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [0,2,0,0,0,0|1,0,1]=4 17350 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [0,2,0,0,0,0|1,0,1]=4 17351 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [0,2,0,0,0,0|1,0,1]=4 17352 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [0,2,0,0,0,0|1,0,1]=4 17353 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [0,2,0,0,0,0|1,0,1]=4 17354 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [0,2,0,0,0,0|1,0,0]=3 17355 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [0,2,0,0,0,0|1,0,0]=3 17356 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [0,2,0,0,0,0|1,0,1]=4 17357 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [0,2,0,0,0,0|1,0,1]=4 17358 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [0,2,0,0,0,0|0,0,1]=3 17359 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [0,2,0,0,0,0|0,0,1]=3 17360 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [0,2,0,0,0,0|0,0,2]=4 17361 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [0,2,0,0,0,0|0,0,2]=4 17362 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [0,2,0,0,0,0|1,0,1]=4 17363 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [0,2,0,0,0,0|1,0,1]=4 17364 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [0,2,0,0,0,0|1,0,1]=4 17365 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [0,2,0,0,0,0|1,0,1]=4 17366 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [0,2,0,0,0,0|1,0,0]=3 17367 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [0,2,0,0,0,0|1,0,0]=3 17368 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [0,2,0,0,0,0|1,0,0]=3 17369 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [0,2,0,0,0,0|1,0,1]=4 17370 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [0,2,0,0,0,0|1,0,1]=4 17371 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [0,2,0,0,0,0|0,0,1]=3 17372 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [0,2,0,0,0,0|0,0,1]=3 17373 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [0,2,0,0,0,0|0,0,1]=3 17374 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [0,2,0,0,0,0|0,0,1]=3 17375 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [0,2,0,0,0,0|0,0,2]=4 17376 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [0,2,0,0,0,0|0,0,2]=4 17377 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [0,2,0,0,0,0|1,0,1]=4 17378 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [0,2,0,0,0,0|1,0,1]=4 17379 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [0,2,0,0,0,0|1,0,1]=4 17380 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [0,2,0,0,0,0|1,0,1]=4 17381 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [0,2,0,0,0,0|1,0,1]=4 17382 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [0,2,0,0,0,0|1,0,1]=4 17383 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [0,2,0,0,0,0|1,0,1]=4 17384 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [0,2,0,0,0,0|1,0,1]=4 17385 B11R0.3 C=CCCCNCCOCCO 2230a_100000211614_100011713584 [0,2,0,0,0,0|0,0,2]=4 17386 B11R0.3 C=CCCCNCCOCCO 2230a_100000700776_100011215305 [0,2,0,0,0,0|0,0,2]=4 17387 B11R0.3 C=CCCCNCCOCCO 34a_100000211614_100000757094 [0,2,0,0,0,0|0,0,2]=4 17388 B11R0.3 C=CCCCNCCOCCO 34a_100000700776_100000692535 [0,2,0,0,0,0|0,0,2]=4 17389 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [0,2,0,0,0,0|1,0,1]=4 17390 B11R0.3 C=CCCCNCCSCCO 2230a_100011219999_100011713584 [0,2,0,0,0,0|0,0,2]=4 17391 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [0,2,0,0,0,0|1,0,1]=4 17392 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [0,2,0,0,0,0|1,0,1]=4 17393 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [0,2,0,0,0,0|1,0,1]=4 17394 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [0,2,0,0,0,0|1,0,1]=4 17395 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [0,2,0,0,0,0|1,0,0]=3 17396 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [0,2,0,0,0,0|1,0,0]=3 17397 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [0,2,0,0,0,0|1,0,0]=3 17398 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [0,2,0,0,0,0|1,0,0]=3 17399 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [0,2,0,0,0,0|1,0,1]=4 17400 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [0,2,0,0,0,0|1,0,1]=4 17401 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [0,2,0,0,0,0|1,0,1]=4 17402 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [0,2,0,0,0,0|1,0,1]=4 17403 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [0,2,0,0,0,0|1,0,1]=4 17404 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [0,2,0,0,0,0|1,0,1]=4 17405 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [0,2,0,0,0,0|1,0,1]=4 17406 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [0,2,0,0,0,0|0,0,1]=3 17407 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [0,2,0,0,0,0|0,0,1]=3 17408 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [0,2,0,0,0,0|0,0,2]=4 17409 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [0,2,0,0,0,0|0,0,2]=4 17410 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [0,2,0,0,0,0|0,0,2]=4 17411 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [0,2,0,0,0,0|1,0,1]=4 17412 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [0,2,0,0,0,0|1,0,1]=4 17413 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [0,2,0,0,0,0|1,0,1]=4 17414 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [0,2,0,0,0,0|1,0,1]=4 17415 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [0,2,0,0,0,0|1,0,1]=4 17416 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [0,2,0,0,0,0|1,0,1]=4 17417 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [0,2,0,0,0,0|1,0,1]=4 17418 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [0,2,0,0,0,0|1,0,1]=4 17419 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [0,2,0,0,0,0|1,0,1]=4 17420 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [0,2,0,0,0,0|1,0,1]=4 17421 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [0,2,0,0,0,0|1,0,1]=4 17422 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [0,2,0,0,0,0|1,0,1]=4 17423 B11R0.3 C=CCCCOCCOCCO 34a_100000758997_100000692535 [0,2,0,0,0,0|0,0,2]=4 17424 B11R0.3 C=CCCCOCCOCCO 7a_100000758997_100011215305 [0,2,0,0,0,0|0,0,2]=4 17425 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [0,2,0,0,0,0|1,0,1]=4 17426 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [0,2,0,0,0,0|1,0,1]=4 17427 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [0,2,0,0,0,0|1,0,1]=4 17428 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [0,2,0,0,0,0|1,0,0]=3 17429 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [0,2,0,0,0,0|1,0,0]=3 17430 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [0,2,0,0,0,0|1,0,1]=4 17431 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [0,2,0,0,0,0|1,0,1]=4 17432 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [0,2,0,0,0,0|0,0,1]=3 17433 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [0,2,0,0,0,0|0,0,1]=3 17434 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [0,2,0,0,0,0|0,0,2]=4 17435 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [0,2,0,0,0,0|0,0,2]=4 17436 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [0,2,0,0,0,0|1,0,1]=4 17437 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [0,2,0,0,0,0|1,0,1]=4 17438 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [0,2,0,0,0,0|1,0,1]=4 17439 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [0,2,0,0,0,0|1,0,1]=4 17440 B11R0.3 C=CCCCSCCOCCO 62a_100011215305_100000757094 [0,2,0,0,0,0|0,0,2]=4 17441 B11R0.3 C=CCCCSCCOCCO 62a_100011713584_100011215305 [0,2,0,0,0,0|0,0,2]=4 17442 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [0,2,0,0,0,0|1,0,1]=4 17443 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [0,2,0,0,0,0|1,0,1]=4 17444 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [0,2,0,0,0,0|1,0,0]=3 17445 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [0,2,0,0,0,0|1,0,0]=3 17446 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [0,2,0,0,0,0|1,0,1]=4 17447 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [0,2,0,0,0,0|0,0,1]=3 17448 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [0,2,0,0,0,0|0,0,1]=3 17449 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [0,2,0,0,0,0|0,0,1]=3 17450 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [0,2,0,0,0,0|0,0,2]=4 17451 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [0,2,0,0,0,0|0,0,2]=4 17452 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [0,2,0,0,0,0|1,0,1]=4 17453 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [0,2,0,0,0,0|1,0,1]=4 17454 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [0,2,0,0,0,0|1,0,1]=4 17455 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [0,2,0,0,0,0|1,0,1]=4 17456 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [0,2,0,0,0,0|1,0,1]=4 17457 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [0,2,0,0,0,0|1,0,1]=4 17458 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [0,2,0,0,0,0|1,0,0]=3 17459 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [0,2,0,0,0,0|1,0,0]=3 17460 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [0,2,0,0,0,0|1,0,0]=3 17461 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [0,2,0,0,0,0|1,0,1]=4 17462 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [0,2,0,0,0,0|1,0,1]=4 17463 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [0,2,0,0,0,0|1,0,1]=4 17464 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [0,2,0,0,0,0|1,0,1]=4 17465 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [0,2,0,0,0,0|1,0,1]=4 17466 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [0,2,0,0,0,0|1,0,1]=4 17467 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [0,2,0,0,0,0|0,0,1]=3 17468 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [0,2,0,0,0,0|1,0,1]=4 17469 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [0,2,0,0,0,0|1,0,1]=4 17470 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [0,2,0,0,0,0|1,0,1]=4 17471 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [0,2,0,0,0,0|1,0,1]=4 17472 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [0,2,0,0,0,0|1,0,1]=4 17473 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [0,2,0,0,0,0|1,0,1]=4 17474 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [0,2,0,0,0,0|1,0,0]=3 17475 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [0,2,0,0,0,0|1,0,0]=3 17476 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [0,2,0,0,0,0|1,0,1]=4 17477 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [0,2,0,0,0,0|1,0,1]=4 17478 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [0,2,0,0,0,0|0,0,1]=3 17479 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [0,2,0,0,0,0|0,0,1]=3 17480 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [0,2,0,0,0,0|1,0,1]=4 17481 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [0,2,0,0,0,0|1,0,1]=4 17482 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [0,2,0,0,0,0|1,0,0]=3 17483 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [0,2,0,0,0,0|1,0,0]=3 17484 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [0,2,0,0,0,0|1,0,0]=3 17485 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [0,2,0,0,0,0|0,0,1]=3 17486 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [0,2,0,0,0,0|0,0,1]=3 17487 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [0,2,0,0,0,0|0,0,1]=3 17488 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [0,2,0,0,0,0|0,0,2]=4 17489 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [0,2,0,0,0,0|1,0,1]=4 17490 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [0,2,0,0,0,0|1,0,1]=4 17491 B11R0.3 C=CCNCCCOCCCO 2230a_100011310245_100000210623 [0,2,0,0,0,0|0,0,2]=4 17492 B11R0.3 C=CCNCCCOCCCO 34a_100011310245_100015514636 [0,2,0,0,0,0|0,0,2]=4 17493 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [0,2,0,0,0,0|1,0,1]=4 17494 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [0,2,0,0,0,0|1,0,1]=4 17495 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [0,2,0,0,0,0|1,0,0]=3 17496 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [0,2,0,0,0,0|1,0,0]=3 17497 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [0,2,0,0,0,0|1,0,0]=3 17498 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [0,2,0,0,0,0|1,0,1]=4 17499 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [0,2,0,0,0,0|0,0,1]=3 17500 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [0,2,0,0,0,0|0,0,2]=4 17501 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [0,2,0,0,0,0|0,0,2]=4 17502 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [0,2,0,0,0,0|0,0,2]=4 17503 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [0,2,0,0,0,0|1,0,1]=4 17504 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [0,2,0,0,0,0|1,0,1]=4 17505 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [0,2,0,0,0,0|1,0,1]=4 17506 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [0,2,0,0,0,0|1,0,1]=4 17507 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [0,2,0,0,0,0|1,0,1]=4 17508 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [0,2,0,0,0,0|1,0,1]=4 17509 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [0,2,0,0,0,0|1,0,1]=4 17510 B11R0.3 C=CCOCCOCCCCO 34a_100000037705_100011216708 [0,2,0,0,0,0|0,0,2]=4 17511 B11R0.3 C=CCOCCOCCCCO 7a_100000037705_100000210776 [0,2,0,0,0,0|0,0,2]=4 17512 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [0,2,0,0,0,0|1,0,0]=3 17513 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [0,2,0,0,0,0|1,0,0]=3 17514 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [0,2,0,0,0,0|0,0,1]=3 17515 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [0,2,0,0,0,0|0,0,1]=3 17516 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [0,2,0,0,0,0|0,0,2]=4 17517 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [0,2,0,0,0,0|0,0,2]=4 17518 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [0,2,0,0,0,0|1,0,0]=3 17519 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [0,2,0,0,0,0|1,0,0]=3 17520 B11R0.3 C=COCCCCOCCCF 34a_100000031558_100011934791 [0,2,0,0,0,0|2,0,0]=4 17521 B11R0.3 C=COCCCCOCCCF 7a_100000031558_100011934791 [0,2,0,0,0,0|2,0,0]=4 17522 B11R0.3 C=COCCCCOCCCO 34a_100000031558_100000230001 [0,2,0,0,0,0|0,0,2]=4 17523 B11R0.3 C=COCCCCOCCCO 7a_100000031558_100011215043 [0,2,0,0,0,0|0,0,2]=4 17524 B11R0.3 C=COCCCCOCCOC 34a_100000031558_100011201679 [0,2,0,0,0,0|2,0,0]=4 17525 B11R0.3 C=COCCCCOCCOC 7a_100000031558_100000233755 [0,2,0,0,0,0|2,0,0]=4 17526 B11R0.3 C=COCCCCOCCSC 34a_100000031558_100000212216 [0,2,0,0,0,0|2,0,0]=4 17527 B11R0.3 C=COCCCCOCCSC 7a_100000031558_100000212216 [0,2,0,0,0,0|2,0,0]=4 17528 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [0,2,0,0,0,0|1,0,0]=3 17529 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [0,2,0,0,0,0|1,0,0]=3 17530 B11R0.3 C=COCCCNCCCCF 2230a_100000210767_100000729493 [0,2,0,0,0,0|2,0,0]=4 17531 B11R0.3 C=COCCCNCCCCF 34a_100000210767_100000729493 [0,2,0,0,0,0|2,0,0]=4 17532 B11R0.3 C=COCCCNCCCCO 2230a_100000210767_100000210776 [0,2,0,0,0,0|0,0,2]=4 17533 B11R0.3 C=COCCCNCCCCO 34a_100000210767_100011216708 [0,2,0,0,0,0|0,0,2]=4 17534 B11R0.3 C=COCCCNCCCOC 2230a_100000210767_100000740836 [0,2,0,0,0,0|2,0,0]=4 17535 B11R0.3 C=COCCCNCCCOC 34a_100000210767_100000740836 [0,2,0,0,0,0|2,0,0]=4 17536 B11R0.3 C=COCCCNCCOCC 2230a_100000210767_100011215890 [0,2,0,0,0,0|2,0,0]=4 17537 B11R0.3 C=COCCCNCCOCC 34a_100000210767_100000210147 [0,2,0,0,0,0|2,0,0]=4 17538 B11R0.3 C=COCCCNCCSCC 2230a_100000210767_100000757381 [0,2,0,0,0,0|2,0,0]=4 17539 B11R0.3 C=COCCCNCCSCC 34a_100000210767_100000757381 [0,2,0,0,0,0|2,0,0]=4 17540 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [0,2,0,0,0,0|1,0,0]=3 17541 B11R0.3 C=COCCNCCCCCO 2230a_100000762737_100000039644 [0,2,0,0,0,0|0,0,2]=4 17542 B11R0.3 C=COCCNCCCCCO 34a_100000762737_100000039644 [0,2,0,0,0,0|0,0,2]=4 17543 B11R0.3 C=COCCNCCCOCC 2230a_100000210961_100000039644 [0,2,0,0,0,0|2,0,0]=4 17544 B11R0.3 C=COCCNCCCOCC 34a_100000210961_100000039644 [0,2,0,0,0,0|2,0,0]=4 17545 B11R0.3 C=COCCNCCOCCC 2230a_100161115042_100000039644 [0,2,0,0,0,0|2,0,0]=4 17546 B11R0.3 C=COCCNCCOCCC 34a_100161115042_100000039644 [0,2,0,0,0,0|2,0,0]=4 17547 B11R0.3 C=COCCNCCSCCC 2230a_100020603323_100000039644 [0,2,0,0,0,0|2,0,0]=4 17548 B11R0.3 C=COCCOCCCCCBr 34a_100000746331_100000039644 [0,2,0,0,0,0|2,0,0]=4 17549 B11R0.3 C=COCCOCCCCCBr 7a_100000746331_100000039644 [0,2,0,0,0,0|2,0,0]=4 17550 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [0,2,0,0,0,0|1,0,0]=3 17551 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [0,2,0,0,0,0|1,0,0]=3 17552 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [0,2,0,0,0,0|1,0,0]=3 17553 B11R0.3 C=COCCOCCCCCCl 34a_100000746330_100000039644 [0,2,0,0,0,0|2,0,0]=4 17554 B11R0.3 C=COCCOCCCCCCl 7a_100000746330_100000039644 [0,2,0,0,0,0|2,0,0]=4 17555 B11R0.3 C=COCCOCCCCCF 34a_100000033082_100000729378 [0,2,0,0,0,0|2,0,0]=4 17556 B11R0.3 C=COCCOCCCCCI 34a_200012148887_100000039644 [0,2,0,0,0,0|2,0,0]=4 17557 B11R0.3 C=COCCOCCCCCI 7a_200012148887_100000039644 [0,2,0,0,0,0|2,0,0]=4 17558 B11R0.3 C=COCCOCCCCCN 34a_100000762737_100000039644 [0,2,0,0,0,0|2,0,0]=4 17559 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [0,2,0,0,0,0|0,0,2]=4 17560 B11R0.3 C=COCCOCCCCOC 34a_100000033082_100000755781 [0,2,0,0,0,0|2,0,0]=4 17561 B11R0.3 C=COCCOCCCCOC 34a_100000740925_100000039644 [0,2,0,0,0,0|2,0,0]=4 17562 B11R0.3 C=COCCOCCCCSC 34a_100011217163_100000039644 [0,2,0,0,0,0|2,0,0]=4 17563 B11R0.3 C=COCCOCCCCSC 7a_100011217163_100000039644 [0,2,0,0,0,0|2,0,0]=4 17564 B11R0.3 C=COCCOCCCOCC 34a_100000033082_100012232248 [0,2,0,0,0,0|2,0,0]=4 17565 B11R0.3 C=COCCOCCCOCC 34a_100000757476_100000039644 [0,2,0,0,0,0|2,0,0]=4 17566 B11R0.3 C=COCCOCCCOCC 7a_100000757476_100000039644 [0,2,0,0,0,0|2,0,0]=4 17567 B11R0.3 C=COCCOCCCSCC 34a_100011216438_100000039644 [0,2,0,0,0,0|2,0,0]=4 17568 B11R0.3 C=COCCOCCCSCC 7a_100011216438_100000039644 [0,2,0,0,0,0|2,0,0]=4 17569 B11R0.3 C=COCCOCCOCCC 34a_100000033082_100011215938 [0,2,0,0,0,0|2,0,0]=4 17570 B11R0.3 C=COCCOCCOCCC 34a_100000039918_100000210303 [0,2,0,0,0,0|2,0,0]=4 17571 B11R0.3 C=COCCOCCOCCC 34a_100000752267_100000039644 [0,2,0,0,0,0|2,0,0]=4 17572 B11R0.3 C=COCCOCCOCCC 7a_100000039918_100000210303 [0,2,0,0,0,0|2,0,0]=4 17573 B11R0.3 C=COCCOCCOCCC 7a_100000752267_100000039644 [0,2,0,0,0,0|2,0,0]=4 17574 B11R0.3 C=COCCOCCSCCC 34a_200000230433_100000039644 [0,2,0,0,0,0|2,0,0]=4 17575 B11R0.3 C=COCCOCCSCCC 7a_200000230433_100000039644 [0,2,0,0,0,0|2,0,0]=4 17576 B11R0.3 C=COCCOCOCCCC 34a_100000033082_100011995733 [0,2,0,0,0,0|2,0,0]=4 17577 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [0,2,0,0,0,0|1,0,0]=3 17578 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [0,2,0,0,0,0|1,0,0]=3 17579 B11R0.3 C=COCCSCCCCCF 62a_100000039644_100000729378 [0,2,0,0,0,0|2,0,0]=4 17580 B11R0.3 C=COCCSCCCCCF 62a_100000729378_100000039644 [0,2,0,0,0,0|2,0,0]=4 17581 B11R0.3 C=COCCSCCCCCO 62a_100000039644_100000746330 [0,2,0,0,0,0|0,0,2]=4 17582 B11R0.3 C=COCCSCCCCCO 62a_100000746330_100000039644 [0,2,0,0,0,0|0,0,2]=4 17583 B11R0.3 C=COCCSCCCCOC 62a_100000039644_100000730899 [0,2,0,0,0,0|2,0,0]=4 17584 B11R0.3 C=COCCSCCCCOC 62a_100000730899_100000039644 [0,2,0,0,0,0|2,0,0]=4 17585 B11R0.3 C=COCCSCCCOCC 62a_100000039644_100012232248 [0,2,0,0,0,0|2,0,0]=4 17586 B11R0.3 C=COCCSCCCOCC 62a_100012232248_100000039644 [0,2,0,0,0,0|2,0,0]=4 17587 B11R0.3 C=COCCSCCOCCC 62a_100000039644_100011215938 [0,2,0,0,0,0|2,0,0]=4 17588 B11R0.3 C=COCCSCCOCCC 62a_100011215938_100000039644 [0,2,0,0,0,0|2,0,0]=4 17589 B11R0.3 C=COCCSCOCCCC 62a_100000039644_100011995733 [0,2,0,0,0,0|2,0,0]=4 17590 B11R0.3 C=COCCSCOCCCC 62a_100011995733_100000039644 [0,2,0,0,0,0|2,0,0]=4 17591 B11R0.3 CC#CCCOCCCCCC 34a_100000750427_100000210314 [0,2,0,0,0,0|1,0,1]=4 17592 B11R0.3 CC#CCCOCCCCCF 34a_100000750427_100000729378 [0,2,0,0,0,0|1,0,1]=4 17593 B11R0.3 CC#CCCOCCCCCO 34a_100000750427_100000746330 [0,2,0,0,0,0|0,0,1]=3 17594 B11R0.3 CC#CCCOCCCCOC 34a_100000750427_100000755781 [0,2,0,0,0,0|0,0,2]=4 17595 B11R0.3 CC#CCCOCCOCCO 34a_100000750427_100000692535 [0,2,0,0,0,0|0,0,2]=4 17596 B11R0.3 CC#CCNCCCCCCC 2230a_100000229938_100000748600 [0,2,0,0,0,0|1,0,1]=4 17597 B11R0.3 CC#CCNCCCCCCC 2230a_100000685387_100000210681 [0,2,0,0,0,0|1,0,1]=4 17598 B11R0.3 CC#CCNCCCCCCC 34a_100000685387_100000210614 [0,2,0,0,0,0|1,0,1]=4 17599 B11R0.3 CC#CCNCCCCCCF 2230a_100000685387_100015922095 [0,2,0,0,0,0|1,0,1]=4 17600 B11R0.3 CC#CCNCCCCCCF 34a_100000685387_100015922095 [0,2,0,0,0,0|1,0,1]=4 17601 B11R0.3 CC#CCNCCCCCCO 2230a_100000685387_100000766143 [0,2,0,0,0,0|0,0,1]=3 17602 B11R0.3 CC#CCNCCCCCCO 2230a_100000686447_100000748600 [0,2,0,0,0,0|0,0,1]=3 17603 B11R0.3 CC#CCNCCCCCCO 34a_100000685387_100000766143 [0,2,0,0,0,0|0,0,1]=3 17604 B11R0.3 CC#CCNCCCCCCO 34a_100000686447_100000748600 [0,2,0,0,0,0|0,0,1]=3 17605 B11R0.3 CC#CCNCCCCCOC 2230a_100000747528_100000748600 [0,2,0,0,0,0|0,0,2]=4 17606 B11R0.3 CC#CCNCCCCCOC 34a_100000747528_100000748600 [0,2,0,0,0,0|0,0,2]=4 17607 B11R0.3 CC#CCOCCCCCCBr 34a_100011215345_100000748600 [0,2,0,0,0,0|1,0,1]=4 17608 B11R0.3 CC#CCOCCCCCCBr 7a_100011215345_100000748600 [0,2,0,0,0,0|1,0,1]=4 17609 B11R0.3 CC#CCOCCCCCCC 34a_100000210272_100000748600 [0,2,0,0,0,0|1,0,1]=4 17610 B11R0.3 CC#CCOCCCCCCC 34a_100000761923_100000210614 [0,2,0,0,0,0|1,0,1]=4 17611 B11R0.3 CC#CCOCCCCCCC 7a_100000210272_100000748600 [0,2,0,0,0,0|1,0,1]=4 17612 B11R0.3 CC#CCOCCCCCCCl 34a_100000766143_100000748600 [0,2,0,0,0,0|1,0,1]=4 17613 B11R0.3 CC#CCOCCCCCCCl 7a_100000766143_100000748600 [0,2,0,0,0,0|1,0,1]=4 17614 B11R0.3 CC#CCOCCCCCCF 34a_100000732779_100000748600 [0,2,0,0,0,0|1,0,1]=4 17615 B11R0.3 CC#CCOCCCCCCF 34a_100000761923_100015922095 [0,2,0,0,0,0|1,0,1]=4 17616 B11R0.3 CC#CCOCCCCCCF 7a_100000732779_100000748600 [0,2,0,0,0,0|1,0,1]=4 17617 B11R0.3 CC#CCOCCCCCCN 34a_100000686447_100000748600 [0,2,0,0,0,0|1,0,1]=4 17618 B11R0.3 CC#CCOCCCCCCO 34a_100000761923_100000766143 [0,2,0,0,0,0|0,0,1]=3 17619 B11R0.3 CC#CCSCCCCCCC 62a_100000210614_100000748600 [0,2,0,0,0,0|1,0,1]=4 17620 B11R0.3 CC#CCSCCCCCCC 62a_100000748600_100000210316 [0,2,0,0,0,0|1,0,1]=4 17621 B11R0.3 CC#CCSCCCCCCF 62a_100000748600_100015922095 [0,2,0,0,0,0|1,0,1]=4 17622 B11R0.3 CC#CCSCCCCCCF 62a_100015922095_100000748600 [0,2,0,0,0,0|1,0,1]=4 17623 B11R0.3 CC#CCSCCCCCCO 62a_100000748600_100000766143 [0,2,0,0,0,0|0,0,1]=3 17624 B11R0.3 CC#CCSCCCCCCO 62a_100000766143_100000748600 [0,2,0,0,0,0|0,0,1]=3 17625 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [0,2,0,0,0,0|1,0,1]=4 17626 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [0,2,0,0,0,0|1,0,1]=4 17627 B11R0.3 CC/C=C/CCCOCCCF 34a_100016287902_100011934791 [0,2,0,0,0,0|1,0,1]=4 17628 B11R0.3 CC/C=C/CCCOCCCF 7a_100016287902_100011934791 [0,2,0,0,0,0|1,0,1]=4 17629 B11R0.3 CC/C=C/CCCOCCCO 34a_100016287902_100000230001 [0,2,0,0,0,0|0,0,1]=3 17630 B11R0.3 CC/C=C/CCCOCCCO 7a_100016287902_100011215043 [0,2,0,0,0,0|0,0,1]=3 17631 B11R0.3 CC/C=C/CCCOCCOC 34a_100016287902_100011201679 [0,2,0,0,0,0|0,0,2]=4 17632 B11R0.3 CC/C=C/CCCOCCOC 7a_100016287902_100000233755 [0,2,0,0,0,0|0,0,2]=4 17633 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [0,2,0,0,0,0|1,0,1]=4 17634 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [0,2,0,0,0,0|0,0,2]=4 17635 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [0,2,0,0,0,0|0,0,2]=4 17636 B11R0.3 CC/C=C\CCCCCOCF 34a_100016268722_100015361967 [0,2,0,0,0,0|0,0,2]=4 17637 B11R0.3 CC/C=C\CCCCCOCF 7a_100016268722_100015361967 [0,2,0,0,0,0|0,0,2]=4 17638 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [0,2,0,0,0,0|1,0,1]=4 17639 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [0,2,0,0,0,0|1,0,1]=4 17640 B11R0.3 CC/C=C\CCCCOCCF 34a_100016287862_100011217306 [0,2,0,0,0,0|1,0,1]=4 17641 B11R0.3 CC/C=C\CCCCOCCF 7a_100016287862_100011217306 [0,2,0,0,0,0|1,0,1]=4 17642 B11R0.3 CC/C=C\CCCCOCCO 34a_100016287862_100000211926 [0,2,0,0,0,0|0,0,1]=3 17643 B11R0.3 CC/C=C\CCCCOCCO 7a_100016287862_100000211926 [0,2,0,0,0,0|0,0,1]=3 17644 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [0,2,0,0,0,0|1,0,1]=4 17645 B11R0.3 CC/C=C\CCNCCCCO 2230a_100000750430_100015370543 [0,2,0,0,0,0|0,0,1]=3 17646 B11R0.3 CC/C=C\CCNCCCCO 34a_100000750430_100015370543 [0,2,0,0,0,0|0,0,1]=3 17647 B11R0.3 CC/C=C\CCNCCCOC 34a_100150723488_100015370543 [0,2,0,0,0,0|0,0,2]=4 17648 B11R0.3 CC/C=C\CCOCCCCBr 34a_100011216708_100015370543 [0,2,0,0,0,0|1,0,1]=4 17649 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [0,2,0,0,0,0|1,0,1]=4 17650 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [0,2,0,0,0,0|1,0,1]=4 17651 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [0,2,0,0,0,0|1,0,1]=4 17652 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [0,2,0,0,0,0|1,0,1]=4 17653 B11R0.3 CC/C=C\CCOCCCCCl 34a_100000210776_100015370543 [0,2,0,0,0,0|1,0,1]=4 17654 B11R0.3 CC/C=C\CCOCCCCCl 7a_100000210776_100015370543 [0,2,0,0,0,0|1,0,1]=4 17655 B11R0.3 CC/C=C\CCOCCCCF 34a_100011995726_100015370543 [0,2,0,0,0,0|1,0,1]=4 17656 B11R0.3 CC/C=C\CCOCCCCF 34a_100016288707_100000729493 [0,2,0,0,0,0|1,0,1]=4 17657 B11R0.3 CC/C=C\CCOCCCCF 7a_100011995726_100015370543 [0,2,0,0,0,0|1,0,1]=4 17658 B11R0.3 CC/C=C\CCOCCCCF 7a_100016288707_100000729493 [0,2,0,0,0,0|1,0,1]=4 17659 B11R0.3 CC/C=C\CCOCCCCI 34a_200012148704_100015370543 [0,2,0,0,0,0|1,0,1]=4 17660 B11R0.3 CC/C=C\CCOCCCCN 34a_100000750430_100015370543 [0,2,0,0,0,0|1,0,1]=4 17661 B11R0.3 CC/C=C\CCOCCCCO 34a_100016288707_100011216708 [0,2,0,0,0,0|0,0,1]=3 17662 B11R0.3 CC/C=C\CCOCCCCO 7a_100016288707_100000210776 [0,2,0,0,0,0|0,0,1]=3 17663 B11R0.3 CC/C=C\CCOCCCOC 34a_100000740835_100015370543 [0,2,0,0,0,0|0,0,2]=4 17664 B11R0.3 CC/C=C\CCOCCCOC 34a_100016288707_100000740836 [0,2,0,0,0,0|0,0,2]=4 17665 B11R0.3 CC/C=C\CCOCCCOC 7a_100016288707_100000740836 [0,2,0,0,0,0|0,0,2]=4 17666 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [0,2,0,0,0,0|1,0,1]=4 17667 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [0,2,0,0,0,0|1,0,1]=4 17668 B11R0.3 CC/C=C\CCSCCCCF 62a_100000729493_100015370543 [0,2,0,0,0,0|1,0,1]=4 17669 B11R0.3 CC/C=C\CCSCCCCF 62a_100015370543_100000729493 [0,2,0,0,0,0|1,0,1]=4 17670 B11R0.3 CC/C=C\CCSCCCCO 62a_100000210776_100015370543 [0,2,0,0,0,0|0,0,1]=3 17671 B11R0.3 CC/C=C\CCSCCCCO 62a_100015370543_100000210776 [0,2,0,0,0,0|0,0,1]=3 17672 B11R0.3 CC/C=C\CCSCCCOC 62a_100000709357_100015370543 [0,2,0,0,0,0|0,0,2]=4 17673 B11R0.3 CC/C=C\CCSCCCOC 62a_100015370543_100000709357 [0,2,0,0,0,0|0,0,2]=4 17674 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [0,2,0,0,0,0|1,0,1]=4 17675 B11R0.3 CC/C=C\CNCCCCCO 2230a_100000762737_100103147603 [0,2,0,0,0,0|0,0,1]=3 17676 B11R0.3 CC/C=C\CNCCCCCO 34a_100000762737_100103147603 [0,2,0,0,0,0|0,0,1]=3 17677 B11R0.3 CC/C=C\CNCCOCCO 2230a_100000211614_100103147603 [0,2,0,0,0,0|0,0,2]=4 17678 B11R0.3 CC/C=C\CNCCOCCO 34a_100000211614_100103147603 [0,2,0,0,0,0|0,0,2]=4 17679 B11R0.3 CC/C=C\CNCCSCCO 2230a_100011219999_100103147603 [0,2,0,0,0,0|0,0,2]=4 17680 B11R0.3 CC/C=C\COCCCCCBr 34a_100000746331_100103147603 [0,2,0,0,0,0|1,0,1]=4 17681 B11R0.3 CC/C=C\COCCCCCBr 7a_100000746331_100103147603 [0,2,0,0,0,0|1,0,1]=4 17682 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [0,2,0,0,0,0|1,0,1]=4 17683 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [0,2,0,0,0,0|1,0,1]=4 17684 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [0,2,0,0,0,0|1,0,1]=4 17685 B11R0.3 CC/C=C\COCCCCCCl 34a_100000746330_100103147603 [0,2,0,0,0,0|1,0,1]=4 17686 B11R0.3 CC/C=C\COCCCCCCl 7a_100000746330_100103147603 [0,2,0,0,0,0|1,0,1]=4 17687 B11R0.3 CC/C=C\COCCCCCF 34a_100016268518_100000729378 [0,2,0,0,0,0|1,0,1]=4 17688 B11R0.3 CC/C=C\COCCCCCI 34a_200012148887_100103147603 [0,2,0,0,0,0|1,0,1]=4 17689 B11R0.3 CC/C=C\COCCCCCI 7a_200012148887_100103147603 [0,2,0,0,0,0|1,0,1]=4 17690 B11R0.3 CC/C=C\COCCCCCN 34a_100000762737_100103147603 [0,2,0,0,0,0|1,0,1]=4 17691 B11R0.3 CC/C=C\COCCCCCO 34a_100016268518_100000746330 [0,2,0,0,0,0|0,0,1]=3 17692 B11R0.3 CC/C=C\COCCCCOC 34a_100000740925_100103147603 [0,2,0,0,0,0|0,0,2]=4 17693 B11R0.3 CC/C=C\COCCCCOC 34a_100016268518_100000755781 [0,2,0,0,0,0|0,0,2]=4 17694 B11R0.3 CC/C=C\COCCOCCO 34a_100016268518_100000692535 [0,2,0,0,0,0|0,0,2]=4 17695 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [0,2,0,0,0,0|1,0,1]=4 17696 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [0,2,0,0,0,0|1,0,1]=4 17697 B11R0.3 CC/C=C\CSCCCCCF 62a_100000729378_100103147603 [0,2,0,0,0,0|1,0,1]=4 17698 B11R0.3 CC/C=C\CSCCCCCF 62a_100103147603_100000729378 [0,2,0,0,0,0|1,0,1]=4 17699 B11R0.3 CC/C=C\CSCCCCCO 62a_100000746330_100103147603 [0,2,0,0,0,0|0,0,1]=3 17700 B11R0.3 CC/C=C\CSCCCCCO 62a_100103147603_100000746330 [0,2,0,0,0,0|0,0,1]=3 17701 B11R0.3 CC/C=C\CSCCCCOC 62a_100000730899_100103147603 [0,2,0,0,0,0|0,0,2]=4 17702 B11R0.3 CC/C=C\CSCCCCOC 62a_100103147603_100000730899 [0,2,0,0,0,0|0,0,2]=4 17703 B11R0.3 CC/C=C\CSCCOCCO 62a_100011215305_100103147603 [0,2,0,0,0,0|0,0,2]=4 17704 B11R0.3 CC/C=C\CSCCOCCO 62a_100103147603_100011215305 [0,2,0,0,0,0|0,0,2]=4 17705 B11R0.3 CC=C=CCCOCCCCO 34a_100011020354_100011216708 [0,2,0,0,0,0|0,0,2]=4 17706 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [0,2,0,0,0,0|1,0,1]=4 17707 B11R0.3 CC=CCCCOCCCCF 34a_100020645299_100000729493 [0,2,0,0,0,0|1,0,1]=4 17708 B11R0.3 CC=CCCCOCCCCO 34a_100020645299_100011216708 [0,2,0,0,0,0|0,0,1]=3 17709 B11R0.3 CC=CCCCOCCCOC 34a_100020645299_100000740836 [0,2,0,0,0,0|0,0,2]=4 17710 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [0,2,0,0,0,0|1,0,1]=4 17711 B11R0.3 CC=CCNCCCCCCO 2230a_100000686447_100000070051 [0,2,0,0,0,0|0,0,1]=3 17712 B11R0.3 CC=CCNCCCCCCO 34a_100000686447_100000070051 [0,2,0,0,0,0|0,0,1]=3 17713 B11R0.3 CC=CCNCCCCCOC 2230a_100000747528_100000070051 [0,2,0,0,0,0|0,0,2]=4 17714 B11R0.3 CC=CCNCCCCCOC 34a_100000747528_100000070051 [0,2,0,0,0,0|0,0,2]=4 17715 B11R0.3 CC=CCOCCCCCCBr 34a_100011215345_100000070051 [0,2,0,0,0,0|1,0,1]=4 17716 B11R0.3 CC=CCOCCCCCCBr 7a_100011215345_100000070051 [0,2,0,0,0,0|1,0,1]=4 17717 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [0,2,0,0,0,0|1,0,1]=4 17718 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [0,2,0,0,0,0|1,0,1]=4 17719 B11R0.3 CC=CCOCCCCCCCl 34a_100000766143_100000070051 [0,2,0,0,0,0|1,0,1]=4 17720 B11R0.3 CC=CCOCCCCCCCl 7a_100000766143_100000070051 [0,2,0,0,0,0|1,0,1]=4 17721 B11R0.3 CC=CCOCCCCCCF 34a_100000732779_100000070051 [0,2,0,0,0,0|1,0,1]=4 17722 B11R0.3 CC=CCOCCCCCCF 7a_100000732779_100000070051 [0,2,0,0,0,0|1,0,1]=4 17723 B11R0.3 CC=CCOCCCCCCN 34a_100000686447_100000070051 [0,2,0,0,0,0|1,0,1]=4 17724 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [0,2,0,0,0,0|1,0,1]=4 17725 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [0,2,0,0,0,0|1,0,1]=4 17726 B11R0.3 CC=CCSCCCCCCF 62a_100000070051_100015922095 [0,2,0,0,0,0|1,0,1]=4 17727 B11R0.3 CC=CCSCCCCCCF 62a_100015922095_100000070051 [0,2,0,0,0,0|1,0,1]=4 17728 B11R0.3 CC=CCSCCCCCCO 62a_100000070051_100000766143 [0,2,0,0,0,0|0,0,1]=3 17729 B11R0.3 CC=CCSCCCCCCO 62a_100000766143_100000070051 [0,2,0,0,0,0|0,0,1]=3 17730 B11R0.3 CCC#CCCCCCCNC 2230a_106832991635_200000036426 [0,2,0,0,0,0|1,0,1]=4 17731 B11R0.3 CCC#CCCCCCCNC 34a_100102657272_200000036426 [0,2,0,0,0,0|1,0,1]=4 17732 B11R0.3 CCC#CCCCCCCNC 7a_106832991635_200000036426 [0,2,0,0,0,0|1,0,1]=4 17733 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [0,2,0,0,0,0|0,0,1]=3 17734 B11R0.3 CCC#CCCCCCCSC 62a_200000036426_200000210301 [0,2,0,0,0,0|0,1,1]=4 17735 B11R0.3 CCC#CCCCCCCSC 62a_200000210301_200000036426 [0,2,0,0,0,0|0,1,1]=4 17736 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200000036426_200025704644 [0,2,0,0,0,0|0,1,1]=4 17737 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200025704644_200000036426 [0,2,0,0,0,0|0,1,1]=4 17738 B11R0.3 CCC#CCCOCCCCC 34a_100000036655_100000718602 [0,2,0,0,0,0|1,0,1]=4 17739 B11R0.3 CCC#CCCOCCCCC 7a_100000036655_100000210326 [0,2,0,0,0,0|1,0,1]=4 17740 B11R0.3 CCC#CCCOCCCCF 34a_100000036655_100000729493 [0,2,0,0,0,0|1,0,1]=4 17741 B11R0.3 CCC#CCCOCCCCF 7a_100000036655_100000729493 [0,2,0,0,0,0|1,0,1]=4 17742 B11R0.3 CCC#CCCOCCCCO 34a_100000036655_100011216708 [0,2,0,0,0,0|0,0,1]=3 17743 B11R0.3 CCC#CCCOCCCCO 7a_100000036655_100000210776 [0,2,0,0,0,0|0,0,1]=3 17744 B11R0.3 CCC#CCCOCCCOC 34a_100000036655_100000740836 [0,2,0,0,0,0|0,0,2]=4 17745 B11R0.3 CCC#CCCOCCCOC 7a_100000036655_100000740836 [0,2,0,0,0,0|0,0,2]=4 17746 B11R0.3 CCC#CCNCCCCCC 2230a_100000210581_100009813939 [0,2,0,0,0,0|1,0,1]=4 17747 B11R0.3 CCC#CCNCCCCCO 2230a_100000762737_100009813939 [0,2,0,0,0,0|0,0,1]=3 17748 B11R0.3 CCC#CCNCCCCCO 34a_100000762737_100009813939 [0,2,0,0,0,0|0,0,1]=3 17749 B11R0.3 CCC#CCNCCOCCO 2230a_100000211614_100009813939 [0,2,0,0,0,0|0,0,2]=4 17750 B11R0.3 CCC#CCNCCOCCO 34a_100000211614_100009813939 [0,2,0,0,0,0|0,0,2]=4 17751 B11R0.3 CCC#CCNCCSCCO 2230a_100011219999_100009813939 [0,2,0,0,0,0|0,0,2]=4 17752 B11R0.3 CCC#CCOCCCCCBr 34a_100000746331_100009813939 [0,2,0,0,0,0|1,0,1]=4 17753 B11R0.3 CCC#CCOCCCCCBr 7a_100000746331_100009813939 [0,2,0,0,0,0|1,0,1]=4 17754 B11R0.3 CCC#CCOCCCCCC 34a_100000032950_100000210314 [0,2,0,0,0,0|1,0,1]=4 17755 B11R0.3 CCC#CCOCCCCCC 34a_100000210259_100009813939 [0,2,0,0,0,0|1,0,1]=4 17756 B11R0.3 CCC#CCOCCCCCC 7a_100000210259_100009813939 [0,2,0,0,0,0|1,0,1]=4 17757 B11R0.3 CCC#CCOCCCCCCl 34a_100000746330_100009813939 [0,2,0,0,0,0|1,0,1]=4 17758 B11R0.3 CCC#CCOCCCCCCl 7a_100000746330_100009813939 [0,2,0,0,0,0|1,0,1]=4 17759 B11R0.3 CCC#CCOCCCCCF 34a_100000032950_100000729378 [0,2,0,0,0,0|1,0,1]=4 17760 B11R0.3 CCC#CCOCCCCCI 34a_200012148887_100009813939 [0,2,0,0,0,0|1,0,1]=4 17761 B11R0.3 CCC#CCOCCCCCI 7a_200012148887_100009813939 [0,2,0,0,0,0|1,0,1]=4 17762 B11R0.3 CCC#CCOCCCCCN 34a_100000762737_100009813939 [0,2,0,0,0,0|1,0,1]=4 17763 B11R0.3 CCC#CCOCCCCCO 34a_100000032950_100000746330 [0,2,0,0,0,0|0,0,1]=3 17764 B11R0.3 CCC#CCOCCCCOC 34a_100000032950_100000755781 [0,2,0,0,0,0|0,0,2]=4 17765 B11R0.3 CCC#CCOCCCCOC 34a_100000740925_100009813939 [0,2,0,0,0,0|0,0,2]=4 17766 B11R0.3 CCC#CCOCCOCCO 34a_100000032950_100000692535 [0,2,0,0,0,0|0,0,2]=4 17767 B11R0.3 CCC#CCSCCCCCC 62a_100000210314_100009813939 [0,2,0,0,0,0|1,0,1]=4 17768 B11R0.3 CCC#CCSCCCCCC 62a_100009813939_100000210757 [0,2,0,0,0,0|1,0,1]=4 17769 B11R0.3 CCC#CCSCCCCCF 62a_100000729378_100009813939 [0,2,0,0,0,0|1,0,1]=4 17770 B11R0.3 CCC#CCSCCCCCF 62a_100009813939_100000729378 [0,2,0,0,0,0|1,0,1]=4 17771 B11R0.3 CCC#CCSCCCCCO 62a_100000746330_100009813939 [0,2,0,0,0,0|0,0,1]=3 17772 B11R0.3 CCC#CCSCCCCCO 62a_100009813939_100000746330 [0,2,0,0,0,0|0,0,1]=3 17773 B11R0.3 CCC#CCSCCCCOC 62a_100000730899_100009813939 [0,2,0,0,0,0|0,0,2]=4 17774 B11R0.3 CCC#CCSCCCCOC 62a_100009813939_100000730899 [0,2,0,0,0,0|0,0,2]=4 17775 B11R0.3 CCC#CCSCCOCCO 62a_100009813939_100011215305 [0,2,0,0,0,0|0,0,2]=4 17776 B11R0.3 CCC#CCSCCOCCO 62a_100011215305_100009813939 [0,2,0,0,0,0|0,0,2]=4 17777 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [0,2,0,0,0,0|1,0,1]=4 17778 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [0,2,0,0,0,0|1,0,1]=4 17779 B11R0.3 CCC/C=C/COCCCCF 34a_100016278788_100000729493 [0,2,0,0,0,0|1,0,1]=4 17780 B11R0.3 CCC/C=C/COCCCCF 7a_100016278788_100000729493 [0,2,0,0,0,0|1,0,1]=4 17781 B11R0.3 CCC/C=C/COCCCCO 34a_100016278788_100011216708 [0,2,0,0,0,0|0,0,1]=3 17782 B11R0.3 CCC/C=C/COCCCCO 7a_100016278788_100000210776 [0,2,0,0,0,0|0,0,1]=3 17783 B11R0.3 CCC/C=C/COCCCOC 34a_100016278788_100000740836 [0,2,0,0,0,0|0,0,2]=4 17784 B11R0.3 CCC/C=C/COCCCOC 7a_100016278788_100000740836 [0,2,0,0,0,0|0,0,2]=4 17785 B11R0.3 CCCC#CCCOCCCC 34a_100000042726_100000210210 [0,2,0,0,0,0|1,0,1]=4 17786 B11R0.3 CCCC#CCCOCCCC 7a_100000042726_100000210211 [0,2,0,0,0,0|1,0,1]=4 17787 B11R0.3 CCCC#CCCOCCCF 34a_100000042726_100011934791 [0,2,0,0,0,0|1,0,1]=4 17788 B11R0.3 CCCC#CCCOCCCF 7a_100000042726_100011934791 [0,2,0,0,0,0|1,0,1]=4 17789 B11R0.3 CCCC#CCCOCCCO 34a_100000042726_100000230001 [0,2,0,0,0,0|0,0,1]=3 17790 B11R0.3 CCCC#CCCOCCCO 7a_100000042726_100011215043 [0,2,0,0,0,0|0,0,1]=3 17791 B11R0.3 CCCC#CCCOCCOC 34a_100000042726_100011201679 [0,2,0,0,0,0|0,0,2]=4 17792 B11R0.3 CCCC#CCCOCCOC 7a_100000042726_100000233755 [0,2,0,0,0,0|0,0,2]=4 17793 B11R0.3 CCCC#CCOCCCCC 34a_100000034806_100000718602 [0,2,0,0,0,0|1,0,1]=4 17794 B11R0.3 CCCC#CCOCCCCC 7a_100000034806_100000210326 [0,2,0,0,0,0|1,0,1]=4 17795 B11R0.3 CCCC#CCOCCCCF 34a_100000034806_100000729493 [0,2,0,0,0,0|1,0,1]=4 17796 B11R0.3 CCCC#CCOCCCCF 7a_100000034806_100000729493 [0,2,0,0,0,0|1,0,1]=4 17797 B11R0.3 CCCC#CCOCCCCO 34a_100000034806_100011216708 [0,2,0,0,0,0|0,0,1]=3 17798 B11R0.3 CCCC#CCOCCCCO 7a_100000034806_100000210776 [0,2,0,0,0,0|0,0,1]=3 17799 B11R0.3 CCCC#CCOCCCOC 34a_100000034806_100000740836 [0,2,0,0,0,0|0,0,2]=4 17800 B11R0.3 CCCC#CCOCCCOC 7a_100000034806_100000740836 [0,2,0,0,0,0|0,0,2]=4 17801 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [0,2,0,0,0,0|0,0,1]=3 17802 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [0,2,0,0,0,0|0,0,1]=3 17803 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [0,2,0,0,0,0|0,0,1]=3 17804 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [0,2,0,0,0,0|0,0,1]=3 17805 B11R0.3 CCCC/C=C/COCCCC 34a_200016272032_100000210210 [0,2,0,0,0,0|1,0,1]=4 17806 B11R0.3 CCCC/C=C/COCCCC 7a_200016272032_100000210211 [0,2,0,0,0,0|1,0,1]=4 17807 B11R0.3 CCCC/C=C/COCCCF 34a_200016272032_100011934791 [0,2,0,0,0,0|1,0,1]=4 17808 B11R0.3 CCCC/C=C/COCCCF 7a_200016272032_100011934791 [0,2,0,0,0,0|1,0,1]=4 17809 B11R0.3 CCCC/C=C/COCCCO 34a_200016272032_100000230001 [0,2,0,0,0,0|0,0,1]=3 17810 B11R0.3 CCCC/C=C/COCCCO 7a_200016272032_100011215043 [0,2,0,0,0,0|0,0,1]=3 17811 B11R0.3 CCCC/C=C/COCCOC 34a_200016272032_100011201679 [0,2,0,0,0,0|0,0,2]=4 17812 B11R0.3 CCCC/C=C/COCCOC 7a_200016272032_100000233755 [0,2,0,0,0,0|0,0,2]=4 17813 B11R0.3 CCCC/C=C\CCOCCC 34a_200016286491_100000210303 [0,2,0,0,0,0|1,0,1]=4 17814 B11R0.3 CCCC/C=C\CCOCCC 7a_200016286491_100000210303 [0,2,0,0,0,0|1,0,1]=4 17815 B11R0.3 CCCC/C=C\CCOCCF 34a_200016286491_100011217306 [0,2,0,0,0,0|1,0,1]=4 17816 B11R0.3 CCCC/C=C\CCOCCF 7a_200016286491_100011217306 [0,2,0,0,0,0|1,0,1]=4 17817 B11R0.3 CCCC/C=C\CCOCCO 34a_200016286491_100000211926 [0,2,0,0,0,0|0,0,1]=3 17818 B11R0.3 CCCC/C=C\CCOCCO 7a_200016286491_100000211926 [0,2,0,0,0,0|0,0,1]=3 17819 B11R0.3 CCCCC#CCCCCOC 34a_200000066234_200000210301 [0,2,0,0,0,0|0,0,1]=3 17820 B11R0.3 CCCCC#CCCCCOC 7a_200000066234_200000210301 [0,2,0,0,0,0|0,0,1]=3 17821 B11R0.3 CCCCC#CCCCCO[13CH3] 34a_200000066234_200025704644 [0,2,0,0,0,0|0,0,1]=3 17822 B11R0.3 CCCCC#CCCCCO[13CH3] 7a_200000066234_200025704644 [0,2,0,0,0,0|0,0,1]=3 17823 B11R0.3 CCCCC#CCCCNCC 2230a_100015525214_200000047210 [0,2,0,0,0,0|1,0,1]=4 17824 B11R0.3 CCCCC#CCCCOCC 34a_100121572206_200000047210 [0,2,0,0,0,0|0,0,2]=4 17825 B11R0.3 CCCCC#CCCCSCC 62a_100000210202_200000047210 [0,2,0,0,0,0|1,0,1]=4 17826 B11R0.3 CCCCC#CCCCSCC 62a_200000047210_100000210202 [0,2,0,0,0,0|1,0,1]=4 17827 B11R0.3 CCCCC#CCCCSCF 62a_100015361967_200000047210 [0,2,0,0,0,0|1,0,1]=4 17828 B11R0.3 CCCCC#CCCCSCF 62a_200000047210_100015361967 [0,2,0,0,0,0|1,0,1]=4 17829 B11R0.3 CCCCC#CCCOCCC 34a_100000037610_100000210303 [0,2,0,0,0,0|1,0,1]=4 17830 B11R0.3 CCCCC#CCCOCCC 7a_100000037610_100000210303 [0,2,0,0,0,0|1,0,1]=4 17831 B11R0.3 CCCCC#CCCOCCF 34a_100000037610_100011217306 [0,2,0,0,0,0|1,0,1]=4 17832 B11R0.3 CCCCC#CCCOCCF 7a_100000037610_100011217306 [0,2,0,0,0,0|1,0,1]=4 17833 B11R0.3 CCCCC#CCCOCCO 34a_100000037610_100000211926 [0,2,0,0,0,0|0,0,1]=3 17834 B11R0.3 CCCCC#CCCOCCO 7a_100000037610_100000211926 [0,2,0,0,0,0|0,0,1]=3 17835 B11R0.3 CCCCC#CCOCCCC 34a_200000034558_100000210210 [0,2,0,0,0,0|1,0,1]=4 17836 B11R0.3 CCCCC#CCOCCCC 7a_200000034558_100000210211 [0,2,0,0,0,0|1,0,1]=4 17837 B11R0.3 CCCCC#CCOCCCF 34a_200000034558_100011934791 [0,2,0,0,0,0|1,0,1]=4 17838 B11R0.3 CCCCC#CCOCCCF 7a_200000034558_100011934791 [0,2,0,0,0,0|1,0,1]=4 17839 B11R0.3 CCCCC#CCOCCCO 34a_200000034558_100000230001 [0,2,0,0,0,0|0,0,1]=3 17840 B11R0.3 CCCCC#CCOCCCO 7a_200000034558_100011215043 [0,2,0,0,0,0|0,0,1]=3 17841 B11R0.3 CCCCC#CCOCCOC 34a_200000034558_100011201679 [0,2,0,0,0,0|0,0,2]=4 17842 B11R0.3 CCCCC#CCOCCOC 7a_200000034558_100000233755 [0,2,0,0,0,0|0,0,2]=4 17843 B11R0.3 CCCCC/C=C/COCCC 34a_100016258190_100000210303 [0,2,0,0,0,0|1,0,1]=4 17844 B11R0.3 CCCCC/C=C/COCCC 7a_100016258190_100000210303 [0,2,0,0,0,0|1,0,1]=4 17845 B11R0.3 CCCCC/C=C/COCCF 34a_100016258190_100011217306 [0,2,0,0,0,0|1,0,1]=4 17846 B11R0.3 CCCCC/C=C/COCCF 7a_100016258190_100011217306 [0,2,0,0,0,0|1,0,1]=4 17847 B11R0.3 CCCCC/C=C/COCCO 34a_100016258190_100000211926 [0,2,0,0,0,0|0,0,1]=3 17848 B11R0.3 CCCCC/C=C/COCCO 7a_100016258190_100000211926 [0,2,0,0,0,0|0,0,1]=3 17849 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [0,2,0,0,0,0|0,0,1]=3 17850 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [0,2,0,0,0,0|0,0,1]=3 17851 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [0,2,0,0,0,0|0,0,1]=3 17852 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [0,2,0,0,0,0|0,0,1]=3 17853 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [0,2,0,0,0,0|0,0,2]=4 17854 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [0,2,0,0,0,0|0,0,2]=4 17855 B11R0.3 CCCCC/C=C\CCOCF 34a_100016277358_100015361967 [0,2,0,0,0,0|0,0,2]=4 17856 B11R0.3 CCCCC/C=C\CCOCF 7a_100016277358_100015361967 [0,2,0,0,0,0|0,0,2]=4 17857 B11R0.3 CCCCC=NNCCCCC 4a_100000694160_100000210104 [0,2,0,0,0,0|1,0,1]=4 17858 B11R0.3 CCCCCC#CCCOCC 34a_200000042877_100000210202 [0,2,0,0,0,0|0,0,2]=4 17859 B11R0.3 CCCCCC#CCCOCC 7a_200000042877_100000210202 [0,2,0,0,0,0|0,0,2]=4 17860 B11R0.3 CCCCCC#CCCOCF 34a_200000042877_100015361967 [0,2,0,0,0,0|0,0,2]=4 17861 B11R0.3 CCCCCC#CCCOCF 7a_200000042877_100015361967 [0,2,0,0,0,0|0,0,2]=4 17862 B11R0.3 CCCCCC#CCNCCF 34a_100000724931_100009816472 [0,2,0,0,0,0|1,0,1]=4 17863 B11R0.3 CCCCCC#CCNCCO 2230a_100016997473_100009816472 [0,2,0,0,0,0|0,0,1]=3 17864 B11R0.3 CCCCCC#CCNCCO 34a_100016990907_100009816472 [0,2,0,0,0,0|0,0,1]=3 17865 B11R0.3 CCCCCC#CCOCCBr 34a_100000211926_100009816472 [0,2,0,0,0,0|1,0,1]=4 17866 B11R0.3 CCCCCC#CCOCCC 34a_100000210258_100009816472 [0,2,0,0,0,0|1,0,1]=4 17867 B11R0.3 CCCCCC#CCOCCC 34a_200000033628_100000210303 [0,2,0,0,0,0|1,0,1]=4 17868 B11R0.3 CCCCCC#CCOCCC 7a_200000033628_100000210303 [0,2,0,0,0,0|1,0,1]=4 17869 B11R0.3 CCCCCC#CCOCCF 34a_200000033628_100011217306 [0,2,0,0,0,0|1,0,1]=4 17870 B11R0.3 CCCCCC#CCOCCF 7a_200000033628_100011217306 [0,2,0,0,0,0|1,0,1]=4 17871 B11R0.3 CCCCCC#CCOCCN 34a_100000210304_100009816472 [0,2,0,0,0,0|1,0,1]=4 17872 B11R0.3 CCCCCC#CCOCCO 34a_200000033628_100000211926 [0,2,0,0,0,0|0,0,1]=3 17873 B11R0.3 CCCCCC#CCOCCO 7a_200000033628_100000211926 [0,2,0,0,0,0|0,0,1]=3 17874 B11R0.3 CCCCCC#CCSCCC 62a_100000210303_100009816472 [0,2,0,0,0,0|1,0,1]=4 17875 B11R0.3 CCCCCC#CCSCCC 62a_100009816472_100000210303 [0,2,0,0,0,0|1,0,1]=4 17876 B11R0.3 CCCCCC#CCSCCF 62a_100009816472_100011217306 [0,2,0,0,0,0|1,0,1]=4 17877 B11R0.3 CCCCCC#CCSCCF 62a_100011217306_100009816472 [0,2,0,0,0,0|1,0,1]=4 17878 B11R0.3 CCCCCC#CCSCCO 62a_100000211926_100009816472 [0,2,0,0,0,0|0,0,1]=3 17879 B11R0.3 CCCCCC#CCSCCO 62a_100009816472_100000211926 [0,2,0,0,0,0|0,0,1]=3 17880 B11R0.3 CCCCCC#CCSCOC 62a_100000766300_100009816472 [0,2,0,0,0,0|0,0,2]=4 17881 B11R0.3 CCCCCC#CCSCOC 62a_100009816472_100000766300 [0,2,0,0,0,0|0,0,2]=4 17882 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [0,2,0,0,0,0|0,0,2]=4 17883 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [0,2,0,0,0,0|0,0,2]=4 17884 B11R0.3 CCCCCC/C=C/COCF 34a_200016276170_100015361967 [0,2,0,0,0,0|0,0,2]=4 17885 B11R0.3 CCCCCC/C=C/COCF 7a_200016276170_100015361967 [0,2,0,0,0,0|0,0,2]=4 17886 B11R0.3 CCCCCC=NNCCCC 4a_100025702795_100000737632 [0,2,0,0,0,0|1,0,1]=4 17887 B11R0.3 CCCCCCC#CCCOC 34a_200000033163_200000210301 [0,2,0,0,0,0|0,0,1]=3 17888 B11R0.3 CCCCCCC#CCCOC 7a_200000033163_200000210301 [0,2,0,0,0,0|0,0,1]=3 17889 B11R0.3 CCCCCCC#CCCO[13CH3] 34a_200000033163_200025704644 [0,2,0,0,0,0|0,0,1]=3 17890 B11R0.3 CCCCCCC#CCCO[13CH3] 7a_200000033163_200025704644 [0,2,0,0,0,0|0,0,1]=3 17891 B11R0.3 CCCCCCC#CCOCC 34a_200000037284_100000210202 [0,2,0,0,0,0|0,0,2]=4 17892 B11R0.3 CCCCCCC#CCOCC 7a_200000037284_100000210202 [0,2,0,0,0,0|0,0,2]=4 17893 B11R0.3 CCCCCCC#CCOCF 34a_200000037284_100015361967 [0,2,0,0,0,0|0,0,2]=4 17894 B11R0.3 CCCCCCC#CCOCF 7a_200000037284_100015361967 [0,2,0,0,0,0|0,0,2]=4 17895 B11R0.3 CCCCCCC=NNCCC 4a_100000740057_100000234349 [0,2,0,0,0,0|1,0,1]=4 17896 B11R0.3 CCCCCCC=NNCCO 4a_100000210001_100000234349 [0,2,0,0,0,0|0,0,1]=3 17897 B11R0.3 CCCCCCCC#CCOC 34a_200000061759_200000210301 [0,2,0,0,0,0|0,0,1]=3 17898 B11R0.3 CCCCCCCC#CCOC 7a_200000061759_200000210301 [0,2,0,0,0,0|0,0,1]=3 17899 B11R0.3 CCCCCCCC#CCO[13CH3] 34a_200000061759_200025704644 [0,2,0,0,0,0|0,0,1]=3 17900 B11R0.3 CCCCCCCC#CCO[13CH3] 7a_200000061759_200025704644 [0,2,0,0,0,0|0,0,1]=3 17901 B11R0.3 CCCCCCCC=NNCC 4a_100000756455_100000210592 [0,2,0,0,0,0|1,0,1]=4 17902 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [0,2,0,0,0,0|1,0,0]=3 17903 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [0,2,0,0,0,0|1,0,0]=3 17904 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [0,2,0,0,0,0|1,0,0]=3 17905 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [0,2,0,0,0,0|1,0,0]=3 17906 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [0,2,0,0,0,0|1,0,0]=3 17907 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [0,2,0,0,0,0|1,0,0]=3 17908 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [0,2,0,0,0,0|1,0,0]=3 17909 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [0,2,0,0,0,0|0,0,0]=2 17910 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [0,2,0,0,0,0|0,0,0]=2 17911 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [0,2,0,0,0,0|0,0,0]=2 17912 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [0,2,0,0,0,0|0,0,0]=2 17913 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [0,2,0,0,0,0|0,0,0]=2 17914 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [0,2,0,0,0,0|0,1,0]=3 17915 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [0,2,0,0,0,0|0,1,0]=3 17916 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [0,2,0,0,0,0|1,0,0]=3 17917 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [0,2,0,0,0,0|1,0,0]=3 17918 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [0,2,0,0,0,0|1,0,0]=3 17919 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [0,2,0,0,0,0|1,0,0]=3 17920 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [0,2,0,0,0,0|0,0,0]=2 17921 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [0,2,0,0,0,0|0,0,0]=2 17922 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [0,2,0,0,0,0|0,0,0]=2 17923 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [0,2,0,0,0,0|0,0,0]=2 17924 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [0,2,0,0,0,0|0,0,0]=2 17925 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [0,2,0,0,0,0|0,1,0]=3 17926 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [0,2,0,0,0,0|0,1,0]=3 17927 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [0,2,0,0,0,0|1,0,0]=3 17928 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [0,2,0,0,0,0|0,0,1]=3 17929 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [0,2,0,0,0,0|0,0,1]=3 17930 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [0,2,0,0,0,0|1,0,0]=3 17931 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [0,2,0,0,0,0|1,0,0]=3 17932 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [0,2,0,0,0,0|1,0,0]=3 17933 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [0,2,0,0,0,0|1,0,0]=3 17934 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [0,2,0,0,0,0|1,0,0]=3 17935 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [0,2,0,0,0,0|0,0,0]=2 17936 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [0,2,0,0,0,0|0,0,0]=2 17937 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [0,2,0,0,0,0|0,0,0]=2 17938 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [0,2,0,0,0,0|0,0,0]=2 17939 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [0,2,0,0,0,0|0,0,0]=2 17940 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [0,2,0,0,0,0|0,1,0]=3 17941 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [0,2,0,0,0,0|0,1,0]=3 17942 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [0,2,0,0,0,0|1,0,0]=3 17943 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,2,0,0,0,0|0,0,1]=3 17944 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,2,0,0,0,0|0,0,1]=3 17945 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [0,2,0,0,0,0|1,0,0]=3 17946 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [0,2,0,0,0,0|1,0,0]=3 17947 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [0,2,0,0,0,0|1,0,0]=3 17948 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [0,2,0,0,0,0|1,0,0]=3 17949 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [0,2,0,0,0,0|1,0,0]=3 17950 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [0,2,0,0,0,0|1,0,0]=3 17951 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [0,2,0,0,0,0|1,0,0]=3 17952 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [0,2,0,0,0,0|0,0,0]=2 17953 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [0,2,0,0,0,0|0,0,0]=2 17954 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [0,2,0,0,0,0|0,1,0]=3 17955 B11R0.3 CCCCCCCCSCC#N 62a_100000210759_100011215382 [0,2,0,0,0,0|1,0,0]=3 17956 B11R0.3 CCCCCCCCSCC#N 62a_100011215382_100000210317 [0,2,0,0,0,0|1,0,0]=3 17957 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [0,2,0,0,0,0|0,0,1]=3 17958 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [0,2,0,0,0,0|0,0,1]=3 17959 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [0,2,0,0,0,0|1,0,0]=3 17960 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [0,2,0,0,0,0|1,0,0]=3 17961 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [0,2,0,0,0,0|1,0,0]=3 17962 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [0,2,0,0,0,0|1,0,0]=3 17963 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [0,2,0,0,0,0|0,0,0]=2 17964 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [0,2,0,0,0,0|0,0,0]=2 17965 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [0,2,0,0,0,0|0,0,0]=2 17966 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [0,2,0,0,0,0|0,0,0]=2 17967 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [0,2,0,0,0,0|0,1,0]=3 17968 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [0,2,0,0,0,0|0,1,0]=3 17969 B11R0.3 CCCCCCCNCCC#N 2230a_100000229938_100011215226 [0,2,0,0,0,0|1,0,0]=3 17970 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [0,2,0,0,0,0|1,0,0]=3 17971 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [0,2,0,0,0,0|1,0,0]=3 17972 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [0,2,0,0,0,0|1,0,0]=3 17973 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [0,2,0,0,0,0|1,0,0]=3 17974 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [0,2,0,0,0,0|1,0,0]=3 17975 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [0,2,0,0,0,0|1,0,0]=3 17976 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [0,2,0,0,0,0|0,0,0]=2 17977 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [0,2,0,0,0,0|0,0,0]=2 17978 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [0,2,0,0,0,0|0,0,0]=2 17979 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [0,2,0,0,0,0|0,1,0]=3 17980 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [0,2,0,0,0,0|0,1,0]=3 17981 B11R0.3 CCCCCCCOCCC#N 7a_100000210272_100000184422 [0,2,0,0,0,0|1,0,0]=3 17982 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [0,2,0,0,0,0|1,0,0]=3 17983 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [0,2,0,0,0,0|1,0,0]=3 17984 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [0,2,0,0,0,0|1,0,0]=3 17985 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [0,2,0,0,0,0|1,0,0]=3 17986 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [0,2,0,0,0,0|1,0,0]=3 17987 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [0,2,0,0,0,0|1,0,0]=3 17988 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [0,2,0,0,0,0|1,0,0]=3 17989 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [0,2,0,0,0,0|1,0,0]=3 17990 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [0,2,0,0,0,0|1,0,0]=3 17991 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [0,2,0,0,0,0|1,0,0]=3 17992 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [0,2,0,0,0,0|0,0,0]=2 17993 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [0,2,0,0,0,0|0,0,0]=2 17994 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [0,2,0,0,0,0|0,0,0]=2 17995 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [0,2,0,0,0,0|0,0,0]=2 17996 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [0,2,0,0,0,0|0,0,0]=2 17997 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [0,2,0,0,0,0|0,0,0]=2 17998 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [0,2,0,0,0,0|0,1,0]=3 17999 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [0,2,0,0,0,0|0,1,0]=3 18000 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [0,2,0,0,0,0|0,1,0]=3 18001 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [0,2,0,0,0,0|0,1,0]=3 18002 B11R0.3 CCCCCCCSCCC#N 62a_100000210614_100011215226 [0,2,0,0,0,0|1,0,0]=3 18003 B11R0.3 CCCCCCCSCCC#N 62a_100011215226_100000210316 [0,2,0,0,0,0|1,0,0]=3 18004 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [0,2,0,0,0,0|1,0,0]=3 18005 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [0,2,0,0,0,0|1,0,0]=3 18006 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [0,2,0,0,0,0|1,0,0]=3 18007 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [0,2,0,0,0,0|1,0,0]=3 18008 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [0,2,0,0,0,0|0,0,0]=2 18009 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [0,2,0,0,0,0|0,0,0]=2 18010 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [0,2,0,0,0,0|0,0,0]=2 18011 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [0,2,0,0,0,0|0,0,0]=2 18012 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [0,2,0,0,0,0|0,1,0]=3 18013 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [0,2,0,0,0,0|0,1,0]=3 18014 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [0,2,0,0,0,0|1,0,0]=3 18015 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [0,2,0,0,0,0|1,0,0]=3 18016 B11R0.3 CCCCCCCSCSC#N 62a_100000210614_100000211825 [0,2,0,0,0,0|1,0,1]=4 18017 B11R0.3 CCCCCCCSCSC#N 62a_100000211825_100000210316 [0,2,0,0,0,0|1,0,1]=4 18018 B11R0.3 CCCCCCNCC#CCO 2230a_100000210581_200000047223 [0,2,0,0,0,0|0,0,1]=3 18019 B11R0.3 CCCCCCNCCCC#N 2230a_100000210581_100000687738 [0,2,0,0,0,0|1,0,0]=3 18020 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [0,2,0,0,0,0|0,0,1]=3 18021 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [0,2,0,0,0,0|1,0,0]=3 18022 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [0,2,0,0,0,0|1,0,0]=3 18023 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [0,2,0,0,0,0|1,0,0]=3 18024 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [0,2,0,0,0,0|0,0,0]=2 18025 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [0,2,0,0,0,0|0,0,0]=2 18026 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [0,2,0,0,0,0|0,0,0]=2 18027 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [0,2,0,0,0,0|0,0,0]=2 18028 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [0,2,0,0,0,0|0,0,0]=2 18029 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [0,2,0,0,0,0|0,1,0]=3 18030 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [0,2,0,0,0,0|1,0,0]=3 18031 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [0,2,0,0,0,0|1,0,0]=3 18032 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [0,2,0,0,0,0|1,0,0]=3 18033 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [0,2,0,0,0,0|1,0,0]=3 18034 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [0,2,0,0,0,0|1,0,0]=3 18035 B11R0.3 CCCCCCOCC#CCCl 34a_200000047223_100000210314 [0,2,0,0,0,0|1,0,1]=4 18036 B11R0.3 CCCCCCOCC#CCO 34a_100000210259_200000047223 [0,2,0,0,0,0|0,0,1]=3 18037 B11R0.3 CCCCCCOCC#CCO 7a_100000210259_200000047223 [0,2,0,0,0,0|0,0,1]=3 18038 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [0,2,0,0,0,0|1,0,0]=3 18039 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [0,2,0,0,0,0|0,0,1]=3 18040 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [0,2,0,0,0,0|1,0,0]=3 18041 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [0,2,0,0,0,0|1,0,0]=3 18042 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [0,2,0,0,0,0|1,0,0]=3 18043 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [0,2,0,0,0,0|1,0,0]=3 18044 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [0,2,0,0,0,0|1,0,0]=3 18045 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [0,2,0,0,0,0|1,0,0]=3 18046 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [0,2,0,0,0,0|1,0,0]=3 18047 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [0,2,0,0,0,0|1,0,0]=3 18048 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [0,2,0,0,0,0|1,0,0]=3 18049 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [0,2,0,0,0,0|1,0,0]=3 18050 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [0,2,0,0,0,0|1,0,0]=3 18051 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [0,2,0,0,0,0|1,0,0]=3 18052 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [0,2,0,0,0,0|1,0,0]=3 18053 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [0,2,0,0,0,0|0,0,0]=2 18054 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [0,2,0,0,0,0|0,0,0]=2 18055 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [0,2,0,0,0,0|1,0,0]=3 18056 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [0,2,0,0,0,0|0,0,0]=2 18057 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [0,2,0,0,0,0|0,0,0]=2 18058 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [0,2,0,0,0,0|0,0,0]=2 18059 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [0,2,0,0,0,0|0,1,0]=3 18060 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [0,2,0,0,0,0|0,1,0]=3 18061 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [0,2,0,0,0,0|1,0,0]=3 18062 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [0,2,0,0,0,0|1,0,0]=3 18063 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [0,2,0,0,0,0|1,0,0]=3 18064 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [0,2,0,0,0,0|1,0,0]=3 18065 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [0,2,0,0,0,0|1,0,0]=3 18066 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [0,2,0,0,0,0|1,0,0]=3 18067 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [0,2,0,0,0,0|1,0,0]=3 18068 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [0,2,0,0,0,0|1,0,0]=3 18069 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [0,2,0,0,0,0|1,0,0]=3 18070 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [0,2,0,0,0,0|1,0,0]=3 18071 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [0,2,0,0,0,0|1,0,0]=3 18072 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [0,2,0,0,0,0|1,0,0]=3 18073 B11R0.3 CCCCCCSCC#CCO 62a_100000210314_200000047223 [0,2,0,0,0,0|0,0,1]=3 18074 B11R0.3 CCCCCCSCC#CCO 62a_200000047223_100000210757 [0,2,0,0,0,0|0,0,1]=3 18075 B11R0.3 CCCCCCSCCCC#N 62a_100000210314_100000687738 [0,2,0,0,0,0|1,0,0]=3 18076 B11R0.3 CCCCCCSCCCC#N 62a_100000687738_100000210757 [0,2,0,0,0,0|1,0,0]=3 18077 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [0,2,0,0,0,0|0,0,1]=3 18078 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [0,2,0,0,0,0|0,0,1]=3 18079 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [0,2,0,0,0,0|1,0,0]=3 18080 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [0,2,0,0,0,0|1,0,0]=3 18081 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [0,2,0,0,0,0|1,0,0]=3 18082 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [0,2,0,0,0,0|1,0,0]=3 18083 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [0,2,0,0,0,0|0,0,0]=2 18084 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [0,2,0,0,0,0|0,0,0]=2 18085 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [0,2,0,0,0,0|0,0,0]=2 18086 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [0,2,0,0,0,0|0,0,0]=2 18087 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [0,2,0,0,0,0|1,0,0]=3 18088 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [0,2,0,0,0,0|1,0,0]=3 18089 B11R0.3 CCCCCCSCCSC#N 62a_100000034367_100000210757 [0,2,0,0,0,0|1,0,1]=4 18090 B11R0.3 CCCCCCSCCSC#N 62a_100000210314_100000034367 [0,2,0,0,0,0|1,0,1]=4 18091 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [0,2,0,0,0,0|1,0,0]=3 18092 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [0,2,0,0,0,0|1,0,0]=3 18093 B11R0.3 CCCCCNCCCCC#N 2230a_100000209983_100000211819 [0,2,0,0,0,0|1,0,0]=3 18094 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [0,2,0,0,0,0|0,0,1]=3 18095 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [0,2,0,0,0,0|1,0,0]=3 18096 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [0,2,0,0,0,0|0,0,0]=2 18097 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [0,2,0,0,0,0|0,0,0]=2 18098 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [0,2,0,0,0,0|0,0,0]=2 18099 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [0,2,0,0,0,0|0,0,0]=2 18100 B11R0.3 CCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210326 [0,2,0,0,0,0|2,0,0]=4 18101 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [0,2,0,0,0,0|1,0,0]=3 18102 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [0,2,0,0,0,0|1,0,0]=3 18103 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [0,2,0,0,0,0|1,0,0]=3 18104 B11R0.3 CCCCCNCCOCC#N 2230a_100000209983_200000047693 [0,2,0,0,0,0|1,0,1]=4 18105 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [0,2,0,0,0,0|0,0,2]=4 18106 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [0,2,0,0,0,0|1,0,0]=3 18107 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [0,2,0,0,0,0|1,0,0]=3 18108 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [0,2,0,0,0,0|1,0,0]=3 18109 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [0,2,0,0,0,0|1,0,0]=3 18110 B11R0.3 CCCCCNCCOCCF 34a_100000224656_100011217306 [0,2,0,0,0,0|1,0,0]=3 18111 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [0,2,0,0,0,0|0,0,0]=2 18112 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [0,2,0,0,0,0|0,0,0]=2 18113 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [0,2,0,0,0,0|0,0,0]=2 18114 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [0,2,0,0,0,0|0,0,0]=2 18115 B11R0.3 CCCCCNCCOCSC 34a_100000224656_100011218213 [0,2,0,0,0,0|1,1,0]=4 18116 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [0,2,0,0,0,0|1,0,0]=3 18117 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [0,2,0,0,0,0|0,0,0]=2 18118 B11R0.3 CCCCCNCOCCCC 2230a_100000209983_100011995733 [0,2,0,0,0,0|1,0,0]=3 18119 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [0,2,0,0,0,0|1,0,0]=3 18120 B11R0.3 CCCCCOCCCCC#N 7a_100000210253_100000211819 [0,2,0,0,0,0|1,0,0]=3 18121 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [0,2,0,0,0,0|0,0,1]=3 18122 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [0,2,0,0,0,0|1,0,0]=3 18123 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [0,2,0,0,0,0|1,0,0]=3 18124 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [0,2,0,0,0,0|1,0,0]=3 18125 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [0,2,0,0,0,0|1,0,0]=3 18126 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [0,2,0,0,0,0|1,0,0]=3 18127 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [0,2,0,0,0,0|1,0,0]=3 18128 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [0,2,0,0,0,0|1,0,0]=3 18129 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [0,2,0,0,0,0|1,0,0]=3 18130 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [0,2,0,0,0,0|1,0,0]=3 18131 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [0,2,0,0,0,0|0,0,0]=2 18132 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [0,2,0,0,0,0|0,0,0]=2 18133 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [0,2,0,0,0,0|0,0,0]=2 18134 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [0,2,0,0,0,0|0,0,0]=2 18135 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [0,2,0,0,0,0|0,0,0]=2 18136 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [0,2,0,0,0,0|0,1,0]=3 18137 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [0,2,0,0,0,0|0,1,0]=3 18138 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [0,2,0,0,0,0|1,0,0]=3 18139 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [0,2,0,0,0,0|1,0,0]=3 18140 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [0,2,0,0,0,0|1,0,0]=3 18141 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [0,2,0,0,0,0|1,0,0]=3 18142 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [0,2,0,0,0,0|1,0,0]=3 18143 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [0,2,0,0,0,0|1,0,0]=3 18144 B11R0.3 CCCCCOCCOCC#N 7a_100000210253_200000047693 [0,2,0,0,0,0|1,0,1]=4 18145 B11R0.3 CCCCCOCCOCC#N 7a_100011215259_100011215382 [0,2,0,0,0,0|1,0,1]=4 18146 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [0,2,0,0,0,0|0,0,2]=4 18147 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [0,2,0,0,0,0|0,0,2]=4 18148 B11R0.3 CCCCCOCCOCCBr 34a_100000692535_100000718602 [0,2,0,0,0,0|1,0,0]=3 18149 B11R0.3 CCCCCOCCOCCBr 7a_100000692535_100000210326 [0,2,0,0,0,0|1,0,0]=3 18150 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [0,2,0,0,0,0|1,0,0]=3 18151 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [0,2,0,0,0,0|1,0,0]=3 18152 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [0,2,0,0,0,0|1,0,0]=3 18153 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [0,2,0,0,0,0|1,0,0]=3 18154 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [0,2,0,0,0,0|1,0,0]=3 18155 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [0,2,0,0,0,0|1,0,0]=3 18156 B11R0.3 CCCCCOCCOCCCl 34a_100011215305_100000718602 [0,2,0,0,0,0|1,0,0]=3 18157 B11R0.3 CCCCCOCCOCCCl 7a_100011215305_100000210326 [0,2,0,0,0,0|1,0,0]=3 18158 B11R0.3 CCCCCOCCOCCF 34a_100011215259_100011217306 [0,2,0,0,0,0|1,0,0]=3 18159 B11R0.3 CCCCCOCCOCCF 34a_200015357709_100000718602 [0,2,0,0,0,0|1,0,0]=3 18160 B11R0.3 CCCCCOCCOCCF 7a_100011215259_100011217306 [0,2,0,0,0,0|1,0,0]=3 18161 B11R0.3 CCCCCOCCOCCF 7a_200015357709_100000210326 [0,2,0,0,0,0|1,0,0]=3 18162 B11R0.3 CCCCCOCCOCCI 34a_100012149058_100000718602 [0,2,0,0,0,0|1,0,0]=3 18163 B11R0.3 CCCCCOCCOCCI 7a_100012149058_100000210326 [0,2,0,0,0,0|1,0,0]=3 18164 B11R0.3 CCCCCOCCOCCN 34a_100000211614_100000718602 [0,2,0,0,0,0|1,0,0]=3 18165 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [0,2,0,0,0,0|0,0,0]=2 18166 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [0,2,0,0,0,0|0,0,0]=2 18167 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [0,2,0,0,0,0|0,0,0]=2 18168 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [0,2,0,0,0,0|0,0,0]=2 18169 B11R0.3 CCCCCOCCOCSC 34a_100011215259_100011218213 [0,2,0,0,0,0|1,1,0]=4 18170 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [0,2,0,0,0,0|1,0,0]=3 18171 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [0,2,0,0,0,0|1,0,0]=3 18172 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [0,2,0,0,0,0|1,0,0]=3 18173 B11R0.3 CCCCCSCCCCC#N 62a_100000210326_100000211819 [0,2,0,0,0,0|1,0,0]=3 18174 B11R0.3 CCCCCSCCCCC#N 62a_100011219923_100000210326 [0,2,0,0,0,0|1,0,0]=3 18175 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [0,2,0,0,0,0|0,0,1]=3 18176 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [0,2,0,0,0,0|0,0,1]=3 18177 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [0,2,0,0,0,0|1,0,0]=3 18178 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [0,2,0,0,0,0|1,0,0]=3 18179 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [0,2,0,0,0,0|0,0,0]=2 18180 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [0,2,0,0,0,0|0,0,0]=2 18181 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [0,2,0,0,0,0|0,0,0]=2 18182 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [0,2,0,0,0,0|0,0,0]=2 18183 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [0,2,0,0,0,0|1,0,0]=3 18184 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [0,2,0,0,0,0|1,0,0]=3 18185 B11R0.3 CCCCCSCCOCC#N 62a_100000210326_200000047693 [0,2,0,0,0,0|1,0,1]=4 18186 B11R0.3 CCCCCSCCOCC#N 62a_200000047693_100000210326 [0,2,0,0,0,0|1,0,1]=4 18187 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [0,2,0,0,0,0|1,0,0]=3 18188 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [0,2,0,0,0,0|1,0,0]=3 18189 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [0,2,0,0,0,0|0,0,0]=2 18190 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [0,2,0,0,0,0|0,0,0]=2 18191 B11R0.3 CCCCCSCOCCCC 62a_100000210326_100011995733 [0,2,0,0,0,0|1,0,0]=3 18192 B11R0.3 CCCCCSCOCCCC 62a_100011995733_100000210326 [0,2,0,0,0,0|1,0,0]=3 18193 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [0,2,0,0,0,0|1,0,0]=3 18194 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [0,2,0,0,0,0|1,0,0]=3 18195 B11R0.3 CCCCNCCCCCC#N 2230a_100000102301_100009813376 [0,2,0,0,0,0|1,0,0]=3 18196 B11R0.3 CCCCNCCCCCC#N 7a_106832991798_100009813376 [0,2,0,0,0,0|1,0,0]=3 18197 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [0,2,0,0,0,0|0,0,1]=3 18198 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [0,2,0,0,0,0|0,0,1]=3 18199 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [0,2,0,0,0,0|1,0,0]=3 18200 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [0,2,0,0,0,0|1,0,0]=3 18201 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [0,2,0,0,0,0|0,0,0]=2 18202 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [0,2,0,0,0,0|0,0,0]=2 18203 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [0,2,0,0,0,0|0,0,0]=2 18204 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [0,2,0,0,0,0|0,0,0]=2 18205 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [0,2,0,0,0,0|0,0,0]=2 18206 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [0,2,0,0,0,0|0,0,0]=2 18207 B11R0.3 CCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210211 [0,2,0,0,0,0|2,0,0]=4 18208 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [0,2,0,0,0,0|1,0,0]=3 18209 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [0,2,0,0,0,0|1,0,0]=3 18210 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [0,2,0,0,0,0|1,0,0]=3 18211 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [0,2,0,0,0,0|1,0,0]=3 18212 B11R0.3 CCCCNCCOCCCC 2230a_100000102301_100000743108 [0,2,0,0,0,0|1,0,0]=3 18213 B11R0.3 CCCCNCCOCCCC 7a_106832991798_100000743108 [0,2,0,0,0,0|1,0,0]=3 18214 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [0,2,0,0,0,0|1,0,0]=3 18215 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [0,2,0,0,0,0|1,0,0]=3 18216 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [0,2,0,0,0,0|1,0,0]=3 18217 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [0,2,0,0,0,0|1,0,0]=3 18218 B11R0.3 CCCCNCCSCCCC 2230a_100025743550_100000210211 [0,2,0,0,0,0|1,0,0]=3 18219 B11R0.3 CCCCNN=CCCCCO 4a_100025702795_100000031955 [0,2,0,0,0,0|0,0,1]=3 18220 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [0,2,0,0,0,0|1,0,0]=3 18221 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [0,2,0,0,0,0|0,0,1]=3 18222 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [0,2,0,0,0,0|1,0,0]=3 18223 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [0,2,0,0,0,0|1,0,0]=3 18224 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [0,2,0,0,0,0|1,0,0]=3 18225 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [0,2,0,0,0,0|1,0,0]=3 18226 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [0,2,0,0,0,0|1,0,0]=3 18227 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [0,2,0,0,0,0|1,0,0]=3 18228 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [0,2,0,0,0,0|1,0,0]=3 18229 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [0,2,0,0,0,0|1,0,0]=3 18230 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [0,2,0,0,0,0|1,0,0]=3 18231 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [0,2,0,0,0,0|0,0,0]=2 18232 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [0,2,0,0,0,0|0,0,0]=2 18233 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [0,2,0,0,0,0|1,0,0]=3 18234 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [0,2,0,0,0,0|1,0,0]=3 18235 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [0,2,0,0,0,0|1,0,0]=3 18236 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [0,2,0,0,0,0|1,0,0]=3 18237 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [0,2,0,0,0,0|1,0,0]=3 18238 B11R0.3 CCCCOCCCNCC#N 2230a_200000211371_100011215382 [0,2,0,0,0,0|1,0,1]=4 18239 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [0,2,0,0,0,0|0,0,2]=4 18240 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [0,2,0,0,0,0|0,0,2]=4 18241 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [0,2,0,0,0,0|1,0,0]=3 18242 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [0,2,0,0,0,0|1,0,0]=3 18243 B11R0.3 CCCCOCCCNCCF 2230a_200000211371_100011217306 [0,2,0,0,0,0|1,0,0]=3 18244 B11R0.3 CCCCOCCCNCCF 34a_200000211371_100011217306 [0,2,0,0,0,0|1,0,0]=3 18245 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [0,2,0,0,0,0|0,0,0]=2 18246 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [0,2,0,0,0,0|0,0,0]=2 18247 B11R0.3 CCCCOCCCNCOC 2230a_200000211371_100000766300 [0,2,0,0,0,0|1,0,0]=3 18248 B11R0.3 CCCCOCCCNCSC 2230a_200000211371_100011218213 [0,2,0,0,0,0|1,1,0]=4 18249 B11R0.3 CCCCOCCCNCSC 34a_200000211371_100011218213 [0,2,0,0,0,0|1,1,0]=4 18250 B11R0.3 CCCCOCCCOCC#N 7a_200011215613_100011215382 [0,2,0,0,0,0|1,0,1]=4 18251 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [0,2,0,0,0,0|0,0,2]=4 18252 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [0,2,0,0,0,0|0,0,2]=4 18253 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [0,2,0,0,0,0|1,0,0]=3 18254 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [0,2,0,0,0,0|1,0,0]=3 18255 B11R0.3 CCCCOCCCOCCF 34a_200011215613_100011217306 [0,2,0,0,0,0|1,0,0]=3 18256 B11R0.3 CCCCOCCCOCCF 7a_200011215613_100011217306 [0,2,0,0,0,0|1,0,0]=3 18257 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [0,2,0,0,0,0|0,0,0]=2 18258 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [0,2,0,0,0,0|0,0,0]=2 18259 B11R0.3 CCCCOCCCOCSC 34a_200011215613_100011218213 [0,2,0,0,0,0|1,1,0]=4 18260 B11R0.3 CCCCOCCNCCCF 2230a_100015189416_100000743108 [0,2,0,0,0,0|1,0,0]=3 18261 B11R0.3 CCCCOCCNCCCF 34a_100015189416_100000743108 [0,2,0,0,0,0|1,0,0]=3 18262 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [0,2,0,0,0,0|1,0,0]=3 18263 B11R0.3 CCCCOCCNCCSC 2230a_100020590264_100000743108 [0,2,0,0,0,0|1,1,0]=4 18264 B11R0.3 CCCCOCCOCCC#N 7a_100000210238_100000184422 [0,2,0,0,0,0|1,0,1]=4 18265 B11R0.3 CCCCOCCOCCCBr 34a_100011217188_100000743108 [0,2,0,0,0,0|1,0,0]=3 18266 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [0,2,0,0,0,0|1,0,0]=3 18267 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [0,2,0,0,0,0|1,0,0]=3 18268 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [0,2,0,0,0,0|1,0,0]=3 18269 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [0,2,0,0,0,0|1,0,0]=3 18270 B11R0.3 CCCCOCCOCCCCl 34a_100000230001_100000743108 [0,2,0,0,0,0|1,0,0]=3 18271 B11R0.3 CCCCOCCOCCCF 34a_100000210238_100011934791 [0,2,0,0,0,0|1,0,0]=3 18272 B11R0.3 CCCCOCCOCCCF 34a_100000759539_100000743108 [0,2,0,0,0,0|1,0,0]=3 18273 B11R0.3 CCCCOCCOCCCF 7a_100000210238_100011934791 [0,2,0,0,0,0|1,0,0]=3 18274 B11R0.3 CCCCOCCOCCCN 34a_100000182051_100000743108 [0,2,0,0,0,0|1,0,0]=3 18275 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [0,2,0,0,0,0|0,0,0]=2 18276 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [0,2,0,0,0,0|0,0,0]=2 18277 B11R0.3 CCCCOCCOCCNC 34a_100000228057_100000210210 [0,2,0,0,0,0|2,0,0]=4 18278 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [0,2,0,0,0,0|1,0,0]=3 18279 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [0,2,0,0,0,0|1,0,0]=3 18280 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [0,2,0,0,0,0|1,0,0]=3 18281 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [0,2,0,0,0,0|1,0,0]=3 18282 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [0,2,0,0,0,0|1,0,0]=3 18283 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [0,2,0,0,0,0|1,0,0]=3 18284 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [0,2,0,0,0,0|1,0,0]=3 18285 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [0,2,0,0,0,0|1,0,0]=3 18286 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [0,2,0,0,0,0|1,0,0]=3 18287 B11R0.3 CCCCOCCOCCON 34a_100000700252_100000743108 [0,2,0,0,0,0|1,0,0]=3 18288 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [0,2,0,0,0,0|1,0,0]=3 18289 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [0,2,0,0,0,0|1,0,0]=3 18290 B11R0.3 CCCCOCCOCCSC 34a_100000210238_100000212216 [0,2,0,0,0,0|1,1,0]=4 18291 B11R0.3 CCCCOCCOCCSC 34a_100000230434_100000743108 [0,2,0,0,0,0|1,1,0]=4 18292 B11R0.3 CCCCOCCOCCSC 7a_100000210238_100000212216 [0,2,0,0,0,0|1,1,0]=4 18293 B11R0.3 CCCCOCCOCCSC 7a_100000230434_100000743108 [0,2,0,0,0,0|1,1,0]=4 18294 B11R0.3 CCCCOCCSCCC#N 62a_100000743108_100011215226 [0,2,0,0,0,0|1,0,1]=4 18295 B11R0.3 CCCCOCCSCCC#N 62a_100011215226_100000743108 [0,2,0,0,0,0|1,0,1]=4 18296 B11R0.3 CCCCOCCSCCCC 34a_200000230436_100000210210 [0,2,0,0,0,0|1,0,0]=3 18297 B11R0.3 CCCCOCCSCCCC 62a_100000210211_100000743108 [0,2,0,0,0,0|1,0,0]=3 18298 B11R0.3 CCCCOCCSCCCC 62a_100000743108_100000210210 [0,2,0,0,0,0|1,0,0]=3 18299 B11R0.3 CCCCOCCSCCCC 7a_200000230436_100000210211 [0,2,0,0,0,0|1,0,0]=3 18300 B11R0.3 CCCCOCCSCCCF 62a_100000743108_100011934791 [0,2,0,0,0,0|1,0,0]=3 18301 B11R0.3 CCCCOCCSCCCF 62a_100011934791_100000743108 [0,2,0,0,0,0|1,0,0]=3 18302 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [0,2,0,0,0,0|0,0,0]=2 18303 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [0,2,0,0,0,0|0,0,0]=2 18304 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [0,2,0,0,0,0|1,0,0]=3 18305 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [0,2,0,0,0,0|1,0,0]=3 18306 B11R0.3 CCCCOCCSCCSC 62a_100000212216_100000743108 [0,2,0,0,0,0|1,1,0]=4 18307 B11R0.3 CCCCOCCSCCSC 62a_100000743108_100000751147 [0,2,0,0,0,0|1,1,0]=4 18308 B11R0.3 CCCCOCCSCOCC 62a_100000739092_100000743108 [0,2,0,0,0,0|2,0,0]=4 18309 B11R0.3 CCCCOCCSCOCC 62a_100000743108_100000739092 [0,2,0,0,0,0|2,0,0]=4 18310 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [0,2,0,0,0,0|0,0,0]=2 18311 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [0,2,0,0,0,0|0,0,0]=2 18312 B11R0.3 CCCCOCNCCCOC 34a_100150723488_100011995733 [0,2,0,0,0,0|1,0,0]=3 18313 B11R0.3 CCCCOCNCCCSC 2230a_100000749238_100011995733 [0,2,0,0,0,0|1,1,0]=4 18314 B11R0.3 CCCCOCNCCOCC 2230a_102516460346_100011995733 [0,2,0,0,0,0|2,0,0]=4 18315 B11R0.3 CCCCOCNCCOCC 34a_102516460346_100011995733 [0,2,0,0,0,0|2,0,0]=4 18316 B11R0.3 CCCCOCNCCSCC 2230a_100000106463_100011995733 [0,2,0,0,0,0|2,0,0]=4 18317 B11R0.3 CCCCOCOCCCCBr 34a_100011216708_100011995733 [0,2,0,0,0,0|1,0,0]=3 18318 B11R0.3 CCCCOCOCCCCCl 34a_100000210776_100011995733 [0,2,0,0,0,0|1,0,0]=3 18319 B11R0.3 CCCCOCOCCCCF 34a_100011995726_100011995733 [0,2,0,0,0,0|1,0,0]=3 18320 B11R0.3 CCCCOCOCCCCI 34a_200012148704_100011995733 [0,2,0,0,0,0|1,0,0]=3 18321 B11R0.3 CCCCOCOCCCCN 34a_100000750430_100011995733 [0,2,0,0,0,0|1,0,0]=3 18322 B11R0.3 CCCCOCOCCCNC 34a_100000213112_100011995733 [0,2,0,0,0,0|2,0,0]=4 18323 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [0,2,0,0,0,0|1,0,0]=3 18324 B11R0.3 CCCCOCOCCCSC 34a_100000690336_100011995733 [0,2,0,0,0,0|1,1,0]=4 18325 B11R0.3 CCCCOCOCCOCC 34a_100000210136_100011995733 [0,2,0,0,0,0|2,0,0]=4 18326 B11R0.3 CCCCOCOCCSCC 34a_100000212035_100011995733 [0,2,0,0,0,0|2,0,0]=4 18327 B11R0.3 CCCCOCSCC#CCO 62a_100011995733_200000047223 [0,2,0,0,0,0|0,0,2]=4 18328 B11R0.3 CCCCOCSCC#CCO 62a_200000047223_100011995733 [0,2,0,0,0,0|0,0,2]=4 18329 B11R0.3 CCCCOCSCCCC#N 62a_100000687738_100011995733 [0,2,0,0,0,0|1,0,1]=4 18330 B11R0.3 CCCCOCSCCCC#N 62a_100011995733_100000687738 [0,2,0,0,0,0|1,0,1]=4 18331 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [0,2,0,0,0,0|0,0,2]=4 18332 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [0,2,0,0,0,0|0,0,2]=4 18333 B11R0.3 CCCCOCSCCCCF 62a_100000729493_100011995733 [0,2,0,0,0,0|1,0,0]=3 18334 B11R0.3 CCCCOCSCCCCF 62a_100011995733_100000729493 [0,2,0,0,0,0|1,0,0]=3 18335 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [0,2,0,0,0,0|0,0,0]=2 18336 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [0,2,0,0,0,0|0,0,0]=2 18337 B11R0.3 CCCCOCSCCCOC 62a_100000709357_100011995733 [0,2,0,0,0,0|1,0,0]=3 18338 B11R0.3 CCCCOCSCCCOC 62a_100011995733_100000709357 [0,2,0,0,0,0|1,0,0]=3 18339 B11R0.3 CCCCOCSCCOCC 62a_100000210147_100011995733 [0,2,0,0,0,0|2,0,0]=4 18340 B11R0.3 CCCCOCSCCOCC 62a_100011995733_100011215890 [0,2,0,0,0,0|2,0,0]=4 18341 B11R0.3 CCCCOCSCCSCC 62a_100000757381_100011995733 [0,2,0,0,0,0|2,0,0]=4 18342 B11R0.3 CCCCOCSCCSCC 62a_100011995733_100000757381 [0,2,0,0,0,0|2,0,0]=4 18343 B11R0.3 CCCCSCCCCCC#N 62a_100000210211_100009813376 [0,2,0,0,0,0|1,0,0]=3 18344 B11R0.3 CCCCSCCCCCC#N 62a_100009813376_100000210210 [0,2,0,0,0,0|1,0,0]=3 18345 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [0,2,0,0,0,0|0,0,1]=3 18346 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [0,2,0,0,0,0|0,0,1]=3 18347 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [0,2,0,0,0,0|1,0,0]=3 18348 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [0,2,0,0,0,0|1,0,0]=3 18349 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [0,2,0,0,0,0|0,0,0]=2 18350 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [0,2,0,0,0,0|0,0,0]=2 18351 B11R0.3 CCCCSCCNCCC#N 2230a_100025743550_100011215226 [0,2,0,0,0,0|1,0,1]=4 18352 B11R0.3 CCCCSCCNCCCF 2230a_100025743550_100011934791 [0,2,0,0,0,0|1,0,0]=3 18353 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [0,2,0,0,0,0|0,0,0]=2 18354 B11R0.3 CCCCSCCNCCOC 2230a_100025743550_100011201679 [0,2,0,0,0,0|1,0,0]=3 18355 B11R0.3 CCCCSCCNCCSC 2230a_100025743550_100000751147 [0,2,0,0,0,0|1,1,0]=4 18356 B11R0.3 CCCCSCCOCCC#N 7a_200000230436_100000184422 [0,2,0,0,0,0|1,0,1]=4 18357 B11R0.3 CCCCSCCOCCCF 34a_200000230436_100011934791 [0,2,0,0,0,0|1,0,0]=3 18358 B11R0.3 CCCCSCCOCCCF 7a_200000230436_100011934791 [0,2,0,0,0,0|1,0,0]=3 18359 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [0,2,0,0,0,0|0,0,0]=2 18360 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [0,2,0,0,0,0|0,0,0]=2 18361 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [0,2,0,0,0,0|1,0,0]=3 18362 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [0,2,0,0,0,0|1,0,0]=3 18363 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [0,2,0,0,0,0|1,0,0]=3 18364 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [0,2,0,0,0,0|1,0,0]=3 18365 B11R0.3 CCCCSCCOCCSC 34a_200000230436_100000212216 [0,2,0,0,0,0|1,1,0]=4 18366 B11R0.3 CCCCSCCOCCSC 7a_200000230436_100000212216 [0,2,0,0,0,0|1,1,0]=4 18367 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [0,2,0,0,0,0|0,0,0]=2 18368 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [0,2,0,0,0,0|0,0,0]=2 18369 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [0,2,0,0,0,0|0,0,0]=2 18370 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [0,2,0,0,0,0|0,0,0]=2 18371 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [0,2,0,0,0,0|1,0,0]=3 18372 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [0,2,0,0,0,0|1,0,0]=3 18373 B11R0.3 CCCNCCOCCOCC 2230a_100102712874_100000210303 [0,2,0,0,0,0|2,0,0]=4 18374 B11R0.3 CCCNCCOCCOCC 34a_100102712874_100000210303 [0,2,0,0,0,0|2,0,0]=4 18375 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [0,2,0,0,0,0|1,0,0]=3 18376 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [0,2,0,0,0,0|1,0,0]=3 18377 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [0,2,0,0,0,0|1,0,0]=3 18378 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [0,2,0,0,0,0|0,0,0]=2 18379 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [0,2,0,0,0,0|0,0,0]=2 18380 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [0,2,0,0,0,0|0,0,0]=2 18381 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [0,2,0,0,0,0|0,0,0]=2 18382 B11R0.3 CCCOCCCNCCC#N 2230a_100011217757_100011215226 [0,2,0,0,0,0|1,0,1]=4 18383 B11R0.3 CCCOCCCNCCCF 2230a_100011217757_100011934791 [0,2,0,0,0,0|1,0,0]=3 18384 B11R0.3 CCCOCCCNCCCF 34a_100011217757_100011934791 [0,2,0,0,0,0|1,0,0]=3 18385 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [0,2,0,0,0,0|0,0,0]=2 18386 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [0,2,0,0,0,0|0,0,0]=2 18387 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [0,2,0,0,0,0|1,0,0]=3 18388 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [0,2,0,0,0,0|1,0,0]=3 18389 B11R0.3 CCCOCCCNCCSC 2230a_100011217757_100000751147 [0,2,0,0,0,0|1,1,0]=4 18390 B11R0.3 CCCOCCCNCCSC 34a_100011217757_100000212216 [0,2,0,0,0,0|1,1,0]=4 18391 B11R0.3 CCCOCCCOCCCN 34a_100011310245_100000210303 [0,2,0,0,0,0|1,0,0]=3 18392 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [0,2,0,0,0,0|1,0,0]=3 18393 B11R0.3 CCCOCCNCC#CCO 2230a_100161115042_200000047223 [0,2,0,0,0,0|0,0,2]=4 18394 B11R0.3 CCCOCCNCC#CCO 34a_100161115042_200000047223 [0,2,0,0,0,0|0,0,2]=4 18395 B11R0.3 CCCOCCNCCCC#N 2230a_100161115042_100000687738 [0,2,0,0,0,0|1,0,1]=4 18396 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [0,2,0,0,0,0|0,0,2]=4 18397 B11R0.3 CCCOCCNCCCCF 2230a_100161115042_100000729493 [0,2,0,0,0,0|1,0,0]=3 18398 B11R0.3 CCCOCCNCCCCF 34a_100161115042_100000729493 [0,2,0,0,0,0|1,0,0]=3 18399 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [0,2,0,0,0,0|0,0,0]=2 18400 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [0,2,0,0,0,0|0,0,0]=2 18401 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [0,2,0,0,0,0|0,0,0]=2 18402 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [0,2,0,0,0,0|0,0,0]=2 18403 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [0,2,0,0,0,0|1,0,0]=3 18404 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [0,2,0,0,0,0|1,0,0]=3 18405 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [0,2,0,0,0,0|1,0,0]=3 18406 B11R0.3 CCCOCCNCCCSC 2230a_100000749238_100011215938 [0,2,0,0,0,0|1,1,0]=4 18407 B11R0.3 CCCOCCNCCOCC 2230a_100161115042_100011215890 [0,2,0,0,0,0|2,0,0]=4 18408 B11R0.3 CCCOCCNCCOCC 2230a_102516460346_100011215938 [0,2,0,0,0,0|2,0,0]=4 18409 B11R0.3 CCCOCCNCCOCC 34a_100161115042_100000210147 [0,2,0,0,0,0|2,0,0]=4 18410 B11R0.3 CCCOCCNCCOCC 34a_102516460346_100011215938 [0,2,0,0,0,0|2,0,0]=4 18411 B11R0.3 CCCOCCNCCSCC 2230a_100000106463_100011215938 [0,2,0,0,0,0|2,0,0]=4 18412 B11R0.3 CCCOCCNCCSCC 2230a_100161115042_100000757381 [0,2,0,0,0,0|2,0,0]=4 18413 B11R0.3 CCCOCCNCCSCC 34a_100161115042_100000757381 [0,2,0,0,0,0|2,0,0]=4 18414 B11R0.3 CCCOCCOCC#CCO 34a_100000752267_200000047223 [0,2,0,0,0,0|0,0,2]=4 18415 B11R0.3 CCCOCCOCC#CCO 7a_100000752267_200000047223 [0,2,0,0,0,0|0,0,2]=4 18416 B11R0.3 CCCOCCOCCCC#N 7a_100000752267_100000687738 [0,2,0,0,0,0|1,0,1]=4 18417 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [0,2,0,0,0,0|0,0,2]=4 18418 B11R0.3 CCCOCCOCCCCBr 34a_100011216708_100011215938 [0,2,0,0,0,0|1,0,0]=3 18419 B11R0.3 CCCOCCOCCCCCl 34a_100000210776_100011215938 [0,2,0,0,0,0|1,0,0]=3 18420 B11R0.3 CCCOCCOCCCCCl 7a_100000210776_100011215938 [0,2,0,0,0,0|1,0,0]=3 18421 B11R0.3 CCCOCCOCCCCF 34a_100000752267_100000729493 [0,2,0,0,0,0|1,0,0]=3 18422 B11R0.3 CCCOCCOCCCCF 34a_100011995726_100011215938 [0,2,0,0,0,0|1,0,0]=3 18423 B11R0.3 CCCOCCOCCCCF 7a_100000752267_100000729493 [0,2,0,0,0,0|1,0,0]=3 18424 B11R0.3 CCCOCCOCCCCF 7a_100011995726_100011215938 [0,2,0,0,0,0|1,0,0]=3 18425 B11R0.3 CCCOCCOCCCCI 34a_200012148704_100011215938 [0,2,0,0,0,0|1,0,0]=3 18426 B11R0.3 CCCOCCOCCCCN 34a_100000750430_100011215938 [0,2,0,0,0,0|1,0,0]=3 18427 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [0,2,0,0,0,0|0,0,0]=2 18428 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [0,2,0,0,0,0|0,0,0]=2 18429 B11R0.3 CCCOCCOCCCNC 34a_100000213112_100011215938 [0,2,0,0,0,0|2,0,0]=4 18430 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [0,2,0,0,0,0|1,0,0]=3 18431 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [0,2,0,0,0,0|1,0,0]=3 18432 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [0,2,0,0,0,0|1,0,0]=3 18433 B11R0.3 CCCOCCOCCCSC 34a_100000690336_100011215938 [0,2,0,0,0,0|1,1,0]=4 18434 B11R0.3 CCCOCCOCCCSC 7a_100000690336_100011215938 [0,2,0,0,0,0|1,1,0]=4 18435 B11R0.3 CCCOCCOCCNCC 2230a_200011904461_100000210202 [0,2,0,0,0,0|2,0,0]=4 18436 B11R0.3 CCCOCCOCCNCC 34a_200011904461_100000210202 [0,2,0,0,0,0|2,0,0]=4 18437 B11R0.3 CCCOCCOCCNCF 34a_200011904461_100015361967 [0,2,0,0,0,0|2,0,0]=4 18438 B11R0.3 CCCOCCOCCOCC 34a_100000210136_100011215938 [0,2,0,0,0,0|2,0,0]=4 18439 B11R0.3 CCCOCCOCCOCC 34a_100000210240_100000210303 [0,2,0,0,0,0|2,0,0]=4 18440 B11R0.3 CCCOCCOCCOCC 34a_100000210258_100011211534 [0,2,0,0,0,0|2,0,0]=4 18441 B11R0.3 CCCOCCOCCOCC 34a_100000752267_100000210147 [0,2,0,0,0,0|2,0,0]=4 18442 B11R0.3 CCCOCCOCCOCC 7a_100000210136_100011215938 [0,2,0,0,0,0|2,0,0]=4 18443 B11R0.3 CCCOCCOCCOCC 7a_100000210240_100000210303 [0,2,0,0,0,0|2,0,0]=4 18444 B11R0.3 CCCOCCOCCOCC 7a_100000752267_100011215890 [0,2,0,0,0,0|2,0,0]=4 18445 B11R0.3 CCCOCCOCCSCC 34a_100000212035_100011215938 [0,2,0,0,0,0|2,0,0]=4 18446 B11R0.3 CCCOCCOCCSCC 34a_100000752267_100000757381 [0,2,0,0,0,0|2,0,0]=4 18447 B11R0.3 CCCOCCOCCSCC 7a_100000212035_100011215938 [0,2,0,0,0,0|2,0,0]=4 18448 B11R0.3 CCCOCCOCCSCC 7a_100000752267_100000757381 [0,2,0,0,0,0|2,0,0]=4 18449 B11R0.3 CCCOCCSCC#CCO 62a_100011215938_200000047223 [0,2,0,0,0,0|0,0,2]=4 18450 B11R0.3 CCCOCCSCC#CCO 62a_200000047223_100011215938 [0,2,0,0,0,0|0,0,2]=4 18451 B11R0.3 CCCOCCSCCCC#N 62a_100000687738_100011215938 [0,2,0,0,0,0|1,0,1]=4 18452 B11R0.3 CCCOCCSCCCC#N 62a_100011215938_100000687738 [0,2,0,0,0,0|1,0,1]=4 18453 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [0,2,0,0,0,0|0,0,2]=4 18454 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [0,2,0,0,0,0|0,0,2]=4 18455 B11R0.3 CCCOCCSCCCCF 62a_100000729493_100011215938 [0,2,0,0,0,0|1,0,0]=3 18456 B11R0.3 CCCOCCSCCCCF 62a_100011215938_100000729493 [0,2,0,0,0,0|1,0,0]=3 18457 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [0,2,0,0,0,0|0,0,0]=2 18458 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [0,2,0,0,0,0|0,0,0]=2 18459 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [0,2,0,0,0,0|1,0,0]=3 18460 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [0,2,0,0,0,0|1,0,0]=3 18461 B11R0.3 CCCOCCSCCOCC 62a_100000210147_100011215938 [0,2,0,0,0,0|2,0,0]=4 18462 B11R0.3 CCCOCCSCCOCC 62a_100011215938_100011215890 [0,2,0,0,0,0|2,0,0]=4 18463 B11R0.3 CCCOCCSCCSCC 62a_100000757381_100011215938 [0,2,0,0,0,0|2,0,0]=4 18464 B11R0.3 CCCOCCSCCSCC 62a_100011215938_100000757381 [0,2,0,0,0,0|2,0,0]=4 18465 B11R0.3 CCCSCCCCCCC#N 62a_100000210303_100009813337 [0,2,0,0,0,0|1,0,0]=3 18466 B11R0.3 CCCSCCCCCCC#N 62a_100009813337_100000210303 [0,2,0,0,0,0|1,0,0]=3 18467 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [0,2,0,0,0,0|0,0,0]=2 18468 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [0,2,0,0,0,0|0,0,0]=2 18469 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [0,2,0,0,0,0|0,0,0]=2 18470 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [0,2,0,0,0,0|0,0,0]=2 18471 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [0,2,0,0,0,0|1,0,0]=3 18472 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [0,2,0,0,0,0|1,0,0]=3 18473 B11R0.3 CCCSCCNCC#CCO 2230a_100020603323_200000047223 [0,2,0,0,0,0|0,0,2]=4 18474 B11R0.3 CCCSCCNCCCC#N 2230a_100020603323_100000687738 [0,2,0,0,0,0|1,0,1]=4 18475 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [0,2,0,0,0,0|0,0,2]=4 18476 B11R0.3 CCCSCCNCCCCF 2230a_100020603323_100000729493 [0,2,0,0,0,0|1,0,0]=3 18477 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [0,2,0,0,0,0|0,0,0]=2 18478 B11R0.3 CCCSCCNCCCOC 2230a_100020603323_100000740836 [0,2,0,0,0,0|1,0,0]=3 18479 B11R0.3 CCCSCCNCCOCC 2230a_100020603323_100011215890 [0,2,0,0,0,0|2,0,0]=4 18480 B11R0.3 CCCSCCNCCSCC 2230a_100020603323_100000757381 [0,2,0,0,0,0|2,0,0]=4 18481 B11R0.3 CCCSCCOCC#CCO 34a_200000230433_200000047223 [0,2,0,0,0,0|0,0,2]=4 18482 B11R0.3 CCCSCCOCC#CCO 7a_200000230433_200000047223 [0,2,0,0,0,0|0,0,2]=4 18483 B11R0.3 CCCSCCOCCCC#N 7a_200000230433_100000687738 [0,2,0,0,0,0|1,0,1]=4 18484 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [0,2,0,0,0,0|0,0,2]=4 18485 B11R0.3 CCCSCCOCCCCF 34a_200000230433_100000729493 [0,2,0,0,0,0|1,0,0]=3 18486 B11R0.3 CCCSCCOCCCCF 7a_200000230433_100000729493 [0,2,0,0,0,0|1,0,0]=3 18487 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [0,2,0,0,0,0|0,0,0]=2 18488 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [0,2,0,0,0,0|0,0,0]=2 18489 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [0,2,0,0,0,0|1,0,0]=3 18490 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [0,2,0,0,0,0|1,0,0]=3 18491 B11R0.3 CCCSCCOCCOCC 34a_200000230433_100000210147 [0,2,0,0,0,0|2,0,0]=4 18492 B11R0.3 CCCSCCOCCOCC 62a_100000210303_100011211534 [0,2,0,0,0,0|2,0,0]=4 18493 B11R0.3 CCCSCCOCCOCC 62a_100011211534_100000210303 [0,2,0,0,0,0|2,0,0]=4 18494 B11R0.3 CCCSCCOCCOCC 7a_200000230433_100011215890 [0,2,0,0,0,0|2,0,0]=4 18495 B11R0.3 CCCSCCOCCSCC 34a_200000230433_100000757381 [0,2,0,0,0,0|2,0,0]=4 18496 B11R0.3 CCCSCCOCCSCC 7a_200000230433_100000757381 [0,2,0,0,0,0|2,0,0]=4 18497 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [0,2,0,0,0,0|0,0,0]=2 18498 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [0,2,0,0,0,0|0,0,0]=2 18499 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [0,2,0,0,0,0|0,0,0]=2 18500 B11R0.3 CCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210202 [0,2,0,0,0,0|2,0,0]=4 18501 B11R0.3 CCNCCOCCOCCO 2230a_100011998139_100000210202 [0,2,0,0,0,0|1,0,0]=3 18502 B11R0.3 CCNCCOCCOCCO 2230a_100015525214_100000032323 [0,2,0,0,0,0|1,0,0]=3 18503 B11R0.3 CCNCCOCCOCCO 34a_100011998139_100000210202 [0,2,0,0,0,0|1,0,0]=3 18504 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [0,2,0,0,0,0|1,0,0]=3 18505 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [0,2,0,0,0,0|1,0,0]=3 18506 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [0,2,0,0,0,0|1,0,0]=3 18507 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [0,2,0,0,0,0|1,0,0]=3 18508 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [0,2,0,0,0,0|1,0,0]=3 18509 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [0,2,0,0,0,0|0,0,0]=2 18510 B11R0.3 CCOCCCCCNCCN 34a_103619048469_100000210202 [0,2,0,0,0,0|1,0,0]=3 18511 B11R0.3 CCOCCCNCC#CCO 2230a_100000210961_200000047223 [0,2,0,0,0,0|0,0,2]=4 18512 B11R0.3 CCOCCCNCC#CCO 34a_100000210961_200000047223 [0,2,0,0,0,0|0,0,2]=4 18513 B11R0.3 CCOCCCNCCCC#N 2230a_100000210961_100000687738 [0,2,0,0,0,0|1,0,1]=4 18514 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [0,2,0,0,0,0|0,0,2]=4 18515 B11R0.3 CCOCCCNCCCCF 2230a_100000210961_100000729493 [0,2,0,0,0,0|1,0,0]=3 18516 B11R0.3 CCOCCCNCCCCF 34a_100000210961_100000729493 [0,2,0,0,0,0|1,0,0]=3 18517 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [0,2,0,0,0,0|0,0,0]=2 18518 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [0,2,0,0,0,0|0,0,0]=2 18519 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [0,2,0,0,0,0|0,0,0]=2 18520 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [0,2,0,0,0,0|0,0,0]=2 18521 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [0,2,0,0,0,0|1,0,0]=3 18522 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [0,2,0,0,0,0|1,0,0]=3 18523 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [0,2,0,0,0,0|1,0,0]=3 18524 B11R0.3 CCOCCCNCCCSC 2230a_100000749238_100012232248 [0,2,0,0,0,0|1,1,0]=4 18525 B11R0.3 CCOCCCNCCOCC 2230a_100000210961_100011215890 [0,2,0,0,0,0|2,0,0]=4 18526 B11R0.3 CCOCCCNCCOCC 2230a_102516460346_100012232248 [0,2,0,0,0,0|2,0,0]=4 18527 B11R0.3 CCOCCCNCCOCC 34a_100000210961_100000210147 [0,2,0,0,0,0|2,0,0]=4 18528 B11R0.3 CCOCCCNCCOCC 34a_102516460346_100012232248 [0,2,0,0,0,0|2,0,0]=4 18529 B11R0.3 CCOCCCNCCSCC 2230a_100000106463_100012232248 [0,2,0,0,0,0|2,0,0]=4 18530 B11R0.3 CCOCCCNCCSCC 2230a_100000210961_100000757381 [0,2,0,0,0,0|2,0,0]=4 18531 B11R0.3 CCOCCCNCCSCC 34a_100000210961_100000757381 [0,2,0,0,0,0|2,0,0]=4 18532 B11R0.3 CCOCCCOCC#CCO 34a_100000757476_200000047223 [0,2,0,0,0,0|0,0,2]=4 18533 B11R0.3 CCOCCCOCC#CCO 7a_100000757476_200000047223 [0,2,0,0,0,0|0,0,2]=4 18534 B11R0.3 CCOCCCOCCCC#N 7a_100000757476_100000687738 [0,2,0,0,0,0|1,0,1]=4 18535 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [0,2,0,0,0,0|0,0,2]=4 18536 B11R0.3 CCOCCCOCCCCBr 34a_100011216708_100012232248 [0,2,0,0,0,0|1,0,0]=3 18537 B11R0.3 CCOCCCOCCCCCl 34a_100000210776_100012232248 [0,2,0,0,0,0|1,0,0]=3 18538 B11R0.3 CCOCCCOCCCCCl 7a_100000210776_100012232248 [0,2,0,0,0,0|1,0,0]=3 18539 B11R0.3 CCOCCCOCCCCF 34a_100000757476_100000729493 [0,2,0,0,0,0|1,0,0]=3 18540 B11R0.3 CCOCCCOCCCCF 34a_100011995726_100012232248 [0,2,0,0,0,0|1,0,0]=3 18541 B11R0.3 CCOCCCOCCCCF 7a_100000757476_100000729493 [0,2,0,0,0,0|1,0,0]=3 18542 B11R0.3 CCOCCCOCCCCF 7a_100011995726_100012232248 [0,2,0,0,0,0|1,0,0]=3 18543 B11R0.3 CCOCCCOCCCCI 34a_200012148704_100012232248 [0,2,0,0,0,0|1,0,0]=3 18544 B11R0.3 CCOCCCOCCCCN 34a_100000750430_100012232248 [0,2,0,0,0,0|1,0,0]=3 18545 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [0,2,0,0,0,0|0,0,0]=2 18546 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [0,2,0,0,0,0|0,0,0]=2 18547 B11R0.3 CCOCCCOCCCNC 34a_100000213112_100012232248 [0,2,0,0,0,0|2,0,0]=4 18548 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [0,2,0,0,0,0|1,0,0]=3 18549 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [0,2,0,0,0,0|1,0,0]=3 18550 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [0,2,0,0,0,0|1,0,0]=3 18551 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [0,2,0,0,0,0|1,0,0]=3 18552 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [0,2,0,0,0,0|1,0,0]=3 18553 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [0,2,0,0,0,0|1,1,0]=4 18554 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [0,2,0,0,0,0|1,1,0]=4 18555 B11R0.3 CCOCCCOCCOCC 34a_100000210136_100012232248 [0,2,0,0,0,0|2,0,0]=4 18556 B11R0.3 CCOCCCOCCOCC 34a_100000757476_100000210147 [0,2,0,0,0,0|2,0,0]=4 18557 B11R0.3 CCOCCCOCCOCC 7a_100000210136_100012232248 [0,2,0,0,0,0|2,0,0]=4 18558 B11R0.3 CCOCCCOCCOCC 7a_100000757476_100011215890 [0,2,0,0,0,0|2,0,0]=4 18559 B11R0.3 CCOCCCOCCSCC 34a_100000212035_100012232248 [0,2,0,0,0,0|2,0,0]=4 18560 B11R0.3 CCOCCCOCCSCC 34a_100000757476_100000757381 [0,2,0,0,0,0|2,0,0]=4 18561 B11R0.3 CCOCCCOCCSCC 7a_100000212035_100012232248 [0,2,0,0,0,0|2,0,0]=4 18562 B11R0.3 CCOCCCOCCSCC 7a_100000757476_100000757381 [0,2,0,0,0,0|2,0,0]=4 18563 B11R0.3 CCOCCCSCC#CCO 62a_100012232248_200000047223 [0,2,0,0,0,0|0,0,2]=4 18564 B11R0.3 CCOCCCSCC#CCO 62a_200000047223_100012232248 [0,2,0,0,0,0|0,0,2]=4 18565 B11R0.3 CCOCCCSCCCC#N 62a_100000687738_100012232248 [0,2,0,0,0,0|1,0,1]=4 18566 B11R0.3 CCOCCCSCCCC#N 62a_100012232248_100000687738 [0,2,0,0,0,0|1,0,1]=4 18567 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [0,2,0,0,0,0|0,0,2]=4 18568 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [0,2,0,0,0,0|0,0,2]=4 18569 B11R0.3 CCOCCCSCCCCF 62a_100000729493_100012232248 [0,2,0,0,0,0|1,0,0]=3 18570 B11R0.3 CCOCCCSCCCCF 62a_100012232248_100000729493 [0,2,0,0,0,0|1,0,0]=3 18571 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [0,2,0,0,0,0|0,0,0]=2 18572 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [0,2,0,0,0,0|0,0,0]=2 18573 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [0,2,0,0,0,0|1,0,0]=3 18574 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [0,2,0,0,0,0|1,0,0]=3 18575 B11R0.3 CCOCCCSCCOCC 62a_100000210147_100012232248 [0,2,0,0,0,0|2,0,0]=4 18576 B11R0.3 CCOCCCSCCOCC 62a_100012232248_100011215890 [0,2,0,0,0,0|2,0,0]=4 18577 B11R0.3 CCOCCCSCCSCC 62a_100000757381_100012232248 [0,2,0,0,0,0|2,0,0]=4 18578 B11R0.3 CCOCCCSCCSCC 62a_100012232248_100000757381 [0,2,0,0,0,0|2,0,0]=4 18579 B11R0.3 CCOCCNCCCCC#N 2230a_102516460346_100000211819 [0,2,0,0,0,0|1,0,1]=4 18580 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [0,2,0,0,0,0|0,0,2]=4 18581 B11R0.3 CCOCCNCCCCCF 2230a_102516460346_100000729378 [0,2,0,0,0,0|1,0,0]=3 18582 B11R0.3 CCOCCNCCCCCF 34a_102516460346_100000729378 [0,2,0,0,0,0|1,0,0]=3 18583 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [0,2,0,0,0,0|0,0,0]=2 18584 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [0,2,0,0,0,0|0,0,0]=2 18585 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [0,2,0,0,0,0|0,0,0]=2 18586 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [0,2,0,0,0,0|0,0,0]=2 18587 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [0,2,0,0,0,0|1,0,0]=3 18588 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [0,2,0,0,0,0|1,0,0]=3 18589 B11R0.3 CCOCCNCCOCCO 2230a_100000211614_100011215890 [0,2,0,0,0,0|1,0,0]=3 18590 B11R0.3 CCOCCNCCOCCO 2230a_102516460346_100011215305 [0,2,0,0,0,0|1,0,0]=3 18591 B11R0.3 CCOCCNCCOCCO 34a_100000211614_100000210147 [0,2,0,0,0,0|1,0,0]=3 18592 B11R0.3 CCOCCNCCOCCO 34a_102516460346_100000692535 [0,2,0,0,0,0|1,0,0]=3 18593 B11R0.3 CCOCCNCCSCCO 2230a_100011219999_100011215890 [0,2,0,0,0,0|1,0,0]=3 18594 B11R0.3 CCOCCNCOCCOC 2230a_102516460346_100000231047 [0,2,0,0,0,0|2,0,0]=4 18595 B11R0.3 CCOCCOCCCCC#N 7a_100000210136_100000211819 [0,2,0,0,0,0|1,0,1]=4 18596 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [0,2,0,0,0,0|0,0,2]=4 18597 B11R0.3 CCOCCOCCCCCBr 34a_100000746331_100000210147 [0,2,0,0,0,0|1,0,0]=3 18598 B11R0.3 CCOCCOCCCCCBr 7a_100000746331_100011215890 [0,2,0,0,0,0|1,0,0]=3 18599 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [0,2,0,0,0,0|1,0,0]=3 18600 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [0,2,0,0,0,0|1,0,0]=3 18601 B11R0.3 CCOCCOCCCCCF 34a_100000210136_100000729378 [0,2,0,0,0,0|1,0,0]=3 18602 B11R0.3 CCOCCOCCCCCF 7a_100000210136_100000729378 [0,2,0,0,0,0|1,0,0]=3 18603 B11R0.3 CCOCCOCCCCCI 34a_200012148887_100000210147 [0,2,0,0,0,0|1,0,0]=3 18604 B11R0.3 CCOCCOCCCCCI 7a_200012148887_100011215890 [0,2,0,0,0,0|1,0,0]=3 18605 B11R0.3 CCOCCOCCCCCN 34a_100000762737_100000210147 [0,2,0,0,0,0|1,0,0]=3 18606 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [0,2,0,0,0,0|0,0,0]=2 18607 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [0,2,0,0,0,0|0,0,0]=2 18608 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [0,2,0,0,0,0|1,0,0]=3 18609 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [0,2,0,0,0,0|1,0,0]=3 18610 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [0,2,0,0,0,0|1,0,0]=3 18611 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [0,2,0,0,0,0|1,1,0]=4 18612 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [0,2,0,0,0,0|1,1,0]=4 18613 B11R0.3 CCOCCOCCCSCC 34a_100011216438_100000210147 [0,2,0,0,0,0|2,0,0]=4 18614 B11R0.3 CCOCCOCCCSCC 7a_100011216438_100011215890 [0,2,0,0,0,0|2,0,0]=4 18615 B11R0.3 CCOCCOCCNCCF 2230a_100102712874_100011217306 [0,2,0,0,0,0|2,0,0]=4 18616 B11R0.3 CCOCCOCCNCCF 34a_100000724931_100011211534 [0,2,0,0,0,0|2,0,0]=4 18617 B11R0.3 CCOCCOCCNCCF 34a_100102712874_100011217306 [0,2,0,0,0,0|2,0,0]=4 18618 B11R0.3 CCOCCOCCNCCO 2230a_100016997473_100011211534 [0,2,0,0,0,0|1,0,0]=3 18619 B11R0.3 CCOCCOCCNCCO 2230a_100102712874_100000211926 [0,2,0,0,0,0|1,0,0]=3 18620 B11R0.3 CCOCCOCCNCCO 34a_100016990907_100011211534 [0,2,0,0,0,0|1,0,0]=3 18621 B11R0.3 CCOCCOCCNCCO 34a_100102712874_100000211926 [0,2,0,0,0,0|1,0,0]=3 18622 B11R0.3 CCOCCOCCNCOC 2230a_100102712874_100000766300 [0,2,0,0,0,0|2,0,0]=4 18623 B11R0.3 CCOCCOCCOCCBr 34a_100000211926_100011211534 [0,2,0,0,0,0|2,0,0]=4 18624 B11R0.3 CCOCCOCCOCCBr 34a_100000692535_100000210147 [0,2,0,0,0,0|2,0,0]=4 18625 B11R0.3 CCOCCOCCOCCBr 34a_100010132937_100000210202 [0,2,0,0,0,0|2,0,0]=4 18626 B11R0.3 CCOCCOCCOCCBr 7a_100000692535_100011215890 [0,2,0,0,0,0|2,0,0]=4 18627 B11R0.3 CCOCCOCCOCCBr 7a_100010132937_100000210202 [0,2,0,0,0,0|2,0,0]=4 18628 B11R0.3 CCOCCOCCOCCCl 34a_100000032323_100000210202 [0,2,0,0,0,0|2,0,0]=4 18629 B11R0.3 CCOCCOCCOCCCl 34a_100011215305_100000210147 [0,2,0,0,0,0|2,0,0]=4 18630 B11R0.3 CCOCCOCCOCCCl 7a_100000032323_100000210202 [0,2,0,0,0,0|2,0,0]=4 18631 B11R0.3 CCOCCOCCOCCCl 7a_100011215305_100011215890 [0,2,0,0,0,0|2,0,0]=4 18632 B11R0.3 CCOCCOCCOCCF 34a_100000210240_100011217306 [0,2,0,0,0,0|2,0,0]=4 18633 B11R0.3 CCOCCOCCOCCF 34a_200015357709_100000210147 [0,2,0,0,0,0|2,0,0]=4 18634 B11R0.3 CCOCCOCCOCCF 7a_100000210240_100011217306 [0,2,0,0,0,0|2,0,0]=4 18635 B11R0.3 CCOCCOCCOCCF 7a_200015357709_100011215890 [0,2,0,0,0,0|2,0,0]=4 18636 B11R0.3 CCOCCOCCOCCI 34a_100012149058_100000210147 [0,2,0,0,0,0|2,0,0]=4 18637 B11R0.3 CCOCCOCCOCCI 7a_100012149058_100011215890 [0,2,0,0,0,0|2,0,0]=4 18638 B11R0.3 CCOCCOCCOCCN 34a_100000210304_100011211534 [0,2,0,0,0,0|2,0,0]=4 18639 B11R0.3 CCOCCOCCOCCN 34a_100000211614_100000210147 [0,2,0,0,0,0|2,0,0]=4 18640 B11R0.3 CCOCCOCCOCCN 34a_100011998139_100000210202 [0,2,0,0,0,0|2,0,0]=4 18641 B11R0.3 CCOCCOCCOCCO 34a_100000210136_100000692535 [0,2,0,0,0,0|1,0,0]=3 18642 B11R0.3 CCOCCOCCOCCO 34a_100000210240_100000211926 [0,2,0,0,0,0|1,0,0]=3 18643 B11R0.3 CCOCCOCCOCCO 34a_100121572206_100000032323 [0,2,0,0,0,0|1,0,0]=3 18644 B11R0.3 CCOCCOCCOCCO 7a_100000210136_100011215305 [0,2,0,0,0,0|1,0,0]=3 18645 B11R0.3 CCOCCOCCOCCO 7a_100000210240_100000211926 [0,2,0,0,0,0|1,0,0]=3 18646 B11R0.3 CCOCCOCCSCCF 62a_100011211534_100011217306 [0,2,0,0,0,0|2,0,0]=4 18647 B11R0.3 CCOCCOCCSCCF 62a_100011217306_100011211534 [0,2,0,0,0,0|2,0,0]=4 18648 B11R0.3 CCOCCOCCSCCO 62a_100000211926_100011211534 [0,2,0,0,0,0|1,0,0]=3 18649 B11R0.3 CCOCCOCCSCCO 62a_100011211534_100000211926 [0,2,0,0,0,0|1,0,0]=3 18650 B11R0.3 CCOCCOCCSCOC 62a_100000766300_100011211534 [0,2,0,0,0,0|2,0,0]=4 18651 B11R0.3 CCOCCOCCSCOC 62a_100011211534_100000766300 [0,2,0,0,0,0|2,0,0]=4 18652 B11R0.3 CCOCCSCCCCC#N 62a_100000210147_100000211819 [0,2,0,0,0,0|1,0,1]=4 18653 B11R0.3 CCOCCSCCCCC#N 62a_100011219923_100011215890 [0,2,0,0,0,0|1,0,1]=4 18654 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [0,2,0,0,0,0|0,0,2]=4 18655 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [0,2,0,0,0,0|0,0,2]=4 18656 B11R0.3 CCOCCSCCCCCF 62a_100000210147_100000729378 [0,2,0,0,0,0|1,0,0]=3 18657 B11R0.3 CCOCCSCCCCCF 62a_100000729378_100011215890 [0,2,0,0,0,0|1,0,0]=3 18658 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [0,2,0,0,0,0|0,0,0]=2 18659 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [0,2,0,0,0,0|0,0,0]=2 18660 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [0,2,0,0,0,0|1,0,0]=3 18661 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [0,2,0,0,0,0|1,0,0]=3 18662 B11R0.3 CCOCCSCCOCCO 62a_100000210147_100011215305 [0,2,0,0,0,0|1,0,0]=3 18663 B11R0.3 CCOCCSCCOCCO 62a_100011215305_100011215890 [0,2,0,0,0,0|1,0,0]=3 18664 B11R0.3 CCOCCSCOCCOC 62a_100000210147_100000231047 [0,2,0,0,0,0|2,0,0]=4 18665 B11R0.3 CCOCCSCOCCOC 62a_100000231047_100011215890 [0,2,0,0,0,0|2,0,0]=4 18666 B11R0.3 CCOCSCCCCCC#N 62a_100000739092_100009813376 [0,2,0,0,0,0|1,0,1]=4 18667 B11R0.3 CCOCSCCCCCC#N 62a_100009813376_100000739092 [0,2,0,0,0,0|1,0,1]=4 18668 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [0,2,0,0,0,0|0,0,2]=4 18669 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [0,2,0,0,0,0|0,0,2]=4 18670 B11R0.3 CCOCSCCCCCCF 62a_100000739092_100015922095 [0,2,0,0,0,0|1,0,0]=3 18671 B11R0.3 CCOCSCCCCCCF 62a_100015922095_100000739092 [0,2,0,0,0,0|1,0,0]=3 18672 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [0,2,0,0,0,0|0,0,0]=2 18673 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [0,2,0,0,0,0|0,0,0]=2 18674 B11R0.3 CCOCSCCOCCOC 62a_100000695917_100000739092 [0,2,0,0,0,0|2,0,0]=4 18675 B11R0.3 CCOCSCCOCCOC 62a_100000739092_100000695917 [0,2,0,0,0,0|2,0,0]=4 18676 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [0,2,0,0,0,0|0,0,0]=2 18677 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [0,2,0,0,0,0|0,0,0]=2 18678 B11R0.3 CCSCCCOCC#CCO 34a_100011216438_200000047223 [0,2,0,0,0,0|0,0,2]=4 18679 B11R0.3 CCSCCCOCC#CCO 7a_100011216438_200000047223 [0,2,0,0,0,0|0,0,2]=4 18680 B11R0.3 CCSCCCOCCCC#N 7a_100011216438_100000687738 [0,2,0,0,0,0|1,0,1]=4 18681 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [0,2,0,0,0,0|0,0,2]=4 18682 B11R0.3 CCSCCCOCCCCF 34a_100011216438_100000729493 [0,2,0,0,0,0|1,0,0]=3 18683 B11R0.3 CCSCCCOCCCCF 7a_100011216438_100000729493 [0,2,0,0,0,0|1,0,0]=3 18684 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [0,2,0,0,0,0|0,0,0]=2 18685 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [0,2,0,0,0,0|0,0,0]=2 18686 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [0,2,0,0,0,0|1,0,0]=3 18687 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [0,2,0,0,0,0|1,0,0]=3 18688 B11R0.3 CCSCCCOCCSCC 34a_100011216438_100000757381 [0,2,0,0,0,0|2,0,0]=4 18689 B11R0.3 CCSCCCOCCSCC 7a_100011216438_100000757381 [0,2,0,0,0,0|2,0,0]=4 18690 B11R0.3 CCSCCNCCCCC#N 2230a_100000106463_100000211819 [0,2,0,0,0,0|1,0,1]=4 18691 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [0,2,0,0,0,0|0,0,2]=4 18692 B11R0.3 CCSCCNCCCCCF 2230a_100000106463_100000729378 [0,2,0,0,0,0|1,0,0]=3 18693 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [0,2,0,0,0,0|0,0,0]=2 18694 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [0,2,0,0,0,0|0,0,0]=2 18695 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [0,2,0,0,0,0|0,0,0]=2 18696 B11R0.3 CCSCCNCCCCOC 2230a_100000106463_100000730899 [0,2,0,0,0,0|1,0,0]=3 18697 B11R0.3 CCSCCNCCOCCO 2230a_100000106463_100011215305 [0,2,0,0,0,0|1,0,0]=3 18698 B11R0.3 CCSCCNCCOCCO 2230a_100000211614_100000757381 [0,2,0,0,0,0|1,0,0]=3 18699 B11R0.3 CCSCCNCCOCCO 34a_100000211614_100000757381 [0,2,0,0,0,0|1,0,0]=3 18700 B11R0.3 CCSCCNCCSCCO 2230a_100011219999_100000757381 [0,2,0,0,0,0|1,0,0]=3 18701 B11R0.3 CCSCCNCOCCOC 2230a_100000106463_100000231047 [0,2,0,0,0,0|2,0,0]=4 18702 B11R0.3 CCSCCOCCCCC#N 7a_100000212035_100000211819 [0,2,0,0,0,0|1,0,1]=4 18703 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [0,2,0,0,0,0|0,0,2]=4 18704 B11R0.3 CCSCCOCCCCCBr 34a_100000746331_100000757381 [0,2,0,0,0,0|1,0,0]=3 18705 B11R0.3 CCSCCOCCCCCBr 7a_100000746331_100000757381 [0,2,0,0,0,0|1,0,0]=3 18706 B11R0.3 CCSCCOCCCCCCl 34a_100000746330_100000757381 [0,2,0,0,0,0|1,0,0]=3 18707 B11R0.3 CCSCCOCCCCCCl 7a_100000746330_100000757381 [0,2,0,0,0,0|1,0,0]=3 18708 B11R0.3 CCSCCOCCCCCF 34a_100000212035_100000729378 [0,2,0,0,0,0|1,0,0]=3 18709 B11R0.3 CCSCCOCCCCCF 7a_100000212035_100000729378 [0,2,0,0,0,0|1,0,0]=3 18710 B11R0.3 CCSCCOCCCCCI 34a_200012148887_100000757381 [0,2,0,0,0,0|1,0,0]=3 18711 B11R0.3 CCSCCOCCCCCI 7a_200012148887_100000757381 [0,2,0,0,0,0|1,0,0]=3 18712 B11R0.3 CCSCCOCCCCCN 34a_100000762737_100000757381 [0,2,0,0,0,0|1,0,0]=3 18713 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [0,2,0,0,0,0|0,0,0]=2 18714 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [0,2,0,0,0,0|0,0,0]=2 18715 B11R0.3 CCSCCOCCCCOC 34a_100000212035_100000755781 [0,2,0,0,0,0|1,0,0]=3 18716 B11R0.3 CCSCCOCCCCOC 34a_100000740925_100000757381 [0,2,0,0,0,0|1,0,0]=3 18717 B11R0.3 CCSCCOCCCCOC 7a_100000212035_100000730899 [0,2,0,0,0,0|1,0,0]=3 18718 B11R0.3 CCSCCOCCCCSC 34a_100011217163_100000757381 [0,2,0,0,0,0|1,1,0]=4 18719 B11R0.3 CCSCCOCCCCSC 7a_100011217163_100000757381 [0,2,0,0,0,0|1,1,0]=4 18720 B11R0.3 CCSCCOCCOCCBr 34a_100000692535_100000757381 [0,2,0,0,0,0|2,0,0]=4 18721 B11R0.3 CCSCCOCCOCCBr 7a_100000692535_100000757381 [0,2,0,0,0,0|2,0,0]=4 18722 B11R0.3 CCSCCOCCOCCCl 34a_100011215305_100000757381 [0,2,0,0,0,0|2,0,0]=4 18723 B11R0.3 CCSCCOCCOCCCl 7a_100011215305_100000757381 [0,2,0,0,0,0|2,0,0]=4 18724 B11R0.3 CCSCCOCCOCCF 34a_200015357709_100000757381 [0,2,0,0,0,0|2,0,0]=4 18725 B11R0.3 CCSCCOCCOCCF 7a_200015357709_100000757381 [0,2,0,0,0,0|2,0,0]=4 18726 B11R0.3 CCSCCOCCOCCI 34a_100012149058_100000757381 [0,2,0,0,0,0|2,0,0]=4 18727 B11R0.3 CCSCCOCCOCCI 7a_100012149058_100000757381 [0,2,0,0,0,0|2,0,0]=4 18728 B11R0.3 CCSCCOCCOCCN 34a_100000211614_100000757381 [0,2,0,0,0,0|2,0,0]=4 18729 B11R0.3 CCSCCOCCOCCO 34a_100000212035_100000692535 [0,2,0,0,0,0|1,0,0]=3 18730 B11R0.3 CCSCCOCCOCCO 62a_100000032323_100000210202 [0,2,0,0,0,0|1,0,0]=3 18731 B11R0.3 CCSCCOCCOCCO 62a_100000210202_100000032323 [0,2,0,0,0,0|1,0,0]=3 18732 B11R0.3 CCSCCOCCOCCO 7a_100000212035_100011215305 [0,2,0,0,0,0|1,0,0]=3 18733 B11R0.3 CCSCCSCCCCC#N 62a_100000757381_100000211819 [0,2,0,0,0,0|1,0,1]=4 18734 B11R0.3 CCSCCSCCCCC#N 62a_100011219923_100000757381 [0,2,0,0,0,0|1,0,1]=4 18735 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [0,2,0,0,0,0|0,0,2]=4 18736 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [0,2,0,0,0,0|0,0,2]=4 18737 B11R0.3 CCSCCSCCCCCF 62a_100000729378_100000757381 [0,2,0,0,0,0|1,0,0]=3 18738 B11R0.3 CCSCCSCCCCCF 62a_100000757381_100000729378 [0,2,0,0,0,0|1,0,0]=3 18739 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [0,2,0,0,0,0|0,0,0]=2 18740 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [0,2,0,0,0,0|0,0,0]=2 18741 B11R0.3 CCSCCSCCCCOC 62a_100000730899_100000757381 [0,2,0,0,0,0|1,0,0]=3 18742 B11R0.3 CCSCCSCCCCOC 62a_100000757381_100000730899 [0,2,0,0,0,0|1,0,0]=3 18743 B11R0.3 CCSCCSCCOCCO 62a_100000757381_100011215305 [0,2,0,0,0,0|1,0,0]=3 18744 B11R0.3 CCSCCSCCOCCO 62a_100011215305_100000757381 [0,2,0,0,0,0|1,0,0]=3 18745 B11R0.3 CCSCCSCOCCOC 62a_100000231047_100000757381 [0,2,0,0,0,0|2,0,0]=4 18746 B11R0.3 CCSCCSCOCCOC 62a_100000757381_100000231047 [0,2,0,0,0,0|2,0,0]=4 18747 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [0,2,0,0,0,0|0,0,0]=2 18748 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [0,2,0,0,0,0|0,0,0]=2 18749 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [0,2,0,0,0,0|0,0,0]=2 18750 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [0,2,0,0,0,0|0,0,0]=2 18751 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [0,2,0,0,0,0|0,0,0]=2 18752 B11R0.3 CNCCCCCOCCCF 34a_100000722520_100011934791 [0,2,0,0,0,0|1,0,0]=3 18753 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [0,2,0,0,0,0|0,0,0]=2 18754 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [0,2,0,0,0,0|1,0,0]=3 18755 B11R0.3 CNCCCCCOCCSC 34a_100000722520_100000212216 [0,2,0,0,0,0|1,1,0]=4 18756 B11R0.3 CNCCCOCCCCCF 34a_100000213112_100000729378 [0,2,0,0,0,0|1,0,0]=3 18757 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [0,2,0,0,0,0|0,0,0]=2 18758 B11R0.3 CNCCCOCCCCOC 34a_100000213112_100000755781 [0,2,0,0,0,0|1,0,0]=3 18759 B11R0.3 CNCCCOCCOCCO 2230a_100011996194_200000210301 [0,2,0,0,0,0|1,0,0]=3 18760 B11R0.3 CNCCCOCCOCCO 34a_100000213112_100000692535 [0,2,0,0,0,0|1,0,0]=3 18761 B11R0.3 CNCCCOCCOCCO 34a_100011996194_200000210301 [0,2,0,0,0,0|1,0,0]=3 18762 B11R0.3 CNCCOCCOCCCF 34a_100000228057_100011934791 [0,2,0,0,0,0|2,0,0]=4 18763 B11R0.3 CNCCOCCOCCCO 34a_100000228057_100000230001 [0,2,0,0,0,0|1,0,0]=3 18764 B11R0.3 CNCCOCCOCCOC 2230a_100012028300_200000210301 [0,2,0,0,0,0|2,0,0]=4 18765 B11R0.3 CNCCOCCOCCOC 2230a_106832991635_100013367474 [0,2,0,0,0,0|2,0,0]=4 18766 B11R0.3 CNCCOCCOCCOC 34a_100000228057_100011201679 [0,2,0,0,0,0|2,0,0]=4 18767 B11R0.3 CNCCOCCOCCOC 34a_100012028300_200000210301 [0,2,0,0,0,0|2,0,0]=4 18768 B11R0.3 CNCCOCCOCCOC 34a_100102657272_100013367474 [0,2,0,0,0,0|2,0,0]=4 18769 B11R0.3 CNCCOCCOCCOC 34a_200014138305_200000210301 [0,2,0,0,0,0|2,0,0]=4 18770 B11R0.3 CNCCOCCOCCOC 7a_106832991635_100013367474 [0,2,0,0,0,0|2,0,0]=4 18771 B11R0.3 CNCCOCCOCCO[13CH3] 34a_200014138305_200025704644 [0,2,0,0,0,0|2,0,0]=4 18772 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [0,2,0,0,0,0|0,0,0]=2 18773 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [0,2,0,0,0,0|0,0,0]=2 18774 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [0,2,0,0,0,0|0,0,0]=2 18775 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [0,2,0,0,0,0|0,0,0]=2 18776 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [0,2,0,0,0,0|0,0,0]=2 18777 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [0,2,0,0,0,0|0,0,0]=2 18778 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [0,2,0,0,0,0|1,0,0]=3 18779 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [0,2,0,0,0,0|0,0,0]=2 18780 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [0,2,0,0,0,0|0,0,0]=2 18781 B11R0.3 COCCCCCCOCC#N 7a_200012092642_100011215382 [0,2,0,0,0,0|1,0,1]=4 18782 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [0,2,0,0,0,0|0,0,2]=4 18783 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [0,2,0,0,0,0|0,0,2]=4 18784 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [0,2,0,0,0,0|1,0,0]=3 18785 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [0,2,0,0,0,0|1,0,0]=3 18786 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [0,2,0,0,0,0|1,0,0]=3 18787 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [0,2,0,0,0,0|1,0,0]=3 18788 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [0,2,0,0,0,0|0,0,0]=2 18789 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [0,2,0,0,0,0|0,0,0]=2 18790 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [0,2,0,0,0,0|1,0,0]=3 18791 B11R0.3 COCCCCCCSCC#N 62a_100011215382_100011998445 [0,2,0,0,0,0|1,0,1]=4 18792 B11R0.3 COCCCCCCSCC#N 62a_100011998445_100011215382 [0,2,0,0,0,0|1,0,1]=4 18793 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [0,2,0,0,0,0|0,0,2]=4 18794 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [0,2,0,0,0,0|0,0,2]=4 18795 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [0,2,0,0,0,0|1,0,0]=3 18796 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [0,2,0,0,0,0|1,0,0]=3 18797 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [0,2,0,0,0,0|0,0,0]=2 18798 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [0,2,0,0,0,0|0,0,0]=2 18799 B11R0.3 COCCCCCCSCOC 62a_100000766300_100011998445 [0,2,0,0,0,0|1,0,0]=3 18800 B11R0.3 COCCCCCCSCOC 62a_100011998445_100000766300 [0,2,0,0,0,0|1,0,0]=3 18801 B11R0.3 COCCCCCCSCSC 62a_100011218213_100011998445 [0,2,0,0,0,0|1,0,0]=3 18802 B11R0.3 COCCCCCCSCSC 62a_100011998445_100011218213 [0,2,0,0,0,0|1,0,0]=3 18803 B11R0.3 COCCCCCNCCC#N 2230a_100000747528_100011215226 [0,2,0,0,0,0|1,0,1]=4 18804 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [0,2,0,0,0,0|1,0,0]=3 18805 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [0,2,0,0,0,0|1,0,0]=3 18806 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [0,2,0,0,0,0|0,0,0]=2 18807 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [0,2,0,0,0,0|0,0,0]=2 18808 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [0,2,0,0,0,0|1,0,0]=3 18809 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [0,2,0,0,0,0|1,0,0]=3 18810 B11R0.3 COCCCCCNCCSC 2230a_100000747528_100000751147 [0,2,0,0,0,0|1,0,0]=3 18811 B11R0.3 COCCCCCNCCSC 34a_100000747528_100000212216 [0,2,0,0,0,0|1,0,0]=3 18812 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [0,2,0,0,0,0|0,0,0]=2 18813 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [0,2,0,0,0,0|0,0,0]=2 18814 B11R0.3 COCCCCNCCCOC 34a_100150723488_100000755781 [0,2,0,0,0,0|1,0,0]=3 18815 B11R0.3 COCCCCNCCCSC 2230a_100000749238_100000730899 [0,2,0,0,0,0|1,0,0]=3 18816 B11R0.3 COCCCCOCC#CCO 34a_100000740925_200000047223 [0,2,0,0,0,0|0,0,2]=4 18817 B11R0.3 COCCCCOCCCCBr 34a_100011216708_100000755781 [0,2,0,0,0,0|1,0,0]=3 18818 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [0,2,0,0,0,0|1,0,0]=3 18819 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [0,2,0,0,0,0|1,0,0]=3 18820 B11R0.3 COCCCCOCCCCF 34a_100000740925_100000729493 [0,2,0,0,0,0|1,0,0]=3 18821 B11R0.3 COCCCCOCCCCF 34a_100011995726_100000755781 [0,2,0,0,0,0|1,0,0]=3 18822 B11R0.3 COCCCCOCCCCF 7a_100011995726_100000730899 [0,2,0,0,0,0|1,0,0]=3 18823 B11R0.3 COCCCCOCCCCI 34a_200012148704_100000755781 [0,2,0,0,0,0|1,0,0]=3 18824 B11R0.3 COCCCCOCCCCN 34a_100000750430_100000755781 [0,2,0,0,0,0|1,0,0]=3 18825 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [0,2,0,0,0,0|0,0,0]=2 18826 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [0,2,0,0,0,0|1,0,0]=3 18827 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [0,2,0,0,0,0|1,0,0]=3 18828 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [0,2,0,0,0,0|1,0,0]=3 18829 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [0,2,0,0,0,0|1,0,0]=3 18830 B11R0.3 COCCCCSCC#CCO 62a_100000730899_200000047223 [0,2,0,0,0,0|0,0,2]=4 18831 B11R0.3 COCCCCSCC#CCO 62a_200000047223_100000730899 [0,2,0,0,0,0|0,0,2]=4 18832 B11R0.3 COCCCCSCCCC#N 62a_100000687738_100000730899 [0,2,0,0,0,0|1,0,1]=4 18833 B11R0.3 COCCCCSCCCC#N 62a_100000730899_100000687738 [0,2,0,0,0,0|1,0,1]=4 18834 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [0,2,0,0,0,0|0,0,2]=4 18835 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [0,2,0,0,0,0|0,0,2]=4 18836 B11R0.3 COCCCCSCCCCF 62a_100000729493_100000730899 [0,2,0,0,0,0|1,0,0]=3 18837 B11R0.3 COCCCCSCCCCF 62a_100000730899_100000729493 [0,2,0,0,0,0|1,0,0]=3 18838 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [0,2,0,0,0,0|0,0,0]=2 18839 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [0,2,0,0,0,0|0,0,0]=2 18840 B11R0.3 COCCCCSCCCOC 62a_100000709357_100000730899 [0,2,0,0,0,0|1,0,0]=3 18841 B11R0.3 COCCCCSCCCOC 62a_100000730899_100000709357 [0,2,0,0,0,0|1,0,0]=3 18842 B11R0.3 COCCCNCCCCCF 34a_100150723488_100000729378 [0,2,0,0,0,0|1,0,0]=3 18843 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [0,2,0,0,0,0|0,0,0]=2 18844 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [0,2,0,0,0,0|0,0,0]=2 18845 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [0,2,0,0,0,0|0,0,0]=2 18846 B11R0.3 COCCCNCCOCCO 2230a_100000211614_100000740836 [0,2,0,0,0,0|1,0,0]=3 18847 B11R0.3 COCCCNCCOCCO 34a_100000211614_100000740836 [0,2,0,0,0,0|1,0,0]=3 18848 B11R0.3 COCCCNCCOCCO 34a_100150723488_100000692535 [0,2,0,0,0,0|1,0,0]=3 18849 B11R0.3 COCCCNCCSCCO 2230a_100011219999_100000740836 [0,2,0,0,0,0|1,0,0]=3 18850 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [0,2,0,0,0,0|1,0,0]=3 18851 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [0,2,0,0,0,0|1,0,0]=3 18852 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [0,2,0,0,0,0|1,0,0]=3 18853 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [0,2,0,0,0,0|1,0,0]=3 18854 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [0,2,0,0,0,0|1,0,0]=3 18855 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [0,2,0,0,0,0|1,0,0]=3 18856 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [0,2,0,0,0,0|1,0,0]=3 18857 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [0,2,0,0,0,0|1,0,0]=3 18858 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [0,2,0,0,0,0|0,0,0]=2 18859 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [0,2,0,0,0,0|1,0,0]=3 18860 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [0,2,0,0,0,0|1,0,0]=3 18861 B11R0.3 COCCCOCCCOCF 34a_200011215475_100015361967 [0,2,0,0,0,0|2,0,0]=4 18862 B11R0.3 COCCCOCCCOCF 7a_200011215475_100015361967 [0,2,0,0,0,0|2,0,0]=4 18863 B11R0.3 COCCCOCCOCCBr 34a_100000692535_100000740836 [0,2,0,0,0,0|2,0,0]=4 18864 B11R0.3 COCCCOCCOCCBr 7a_100000692535_100000740836 [0,2,0,0,0,0|2,0,0]=4 18865 B11R0.3 COCCCOCCOCCCl 34a_100011215305_100000740836 [0,2,0,0,0,0|2,0,0]=4 18866 B11R0.3 COCCCOCCOCCCl 7a_100011215305_100000740836 [0,2,0,0,0,0|2,0,0]=4 18867 B11R0.3 COCCCOCCOCCF 34a_200015357709_100000740836 [0,2,0,0,0,0|2,0,0]=4 18868 B11R0.3 COCCCOCCOCCF 7a_200015357709_100000740836 [0,2,0,0,0,0|2,0,0]=4 18869 B11R0.3 COCCCOCCOCCI 34a_100012149058_100000740836 [0,2,0,0,0,0|2,0,0]=4 18870 B11R0.3 COCCCOCCOCCI 7a_100012149058_100000740836 [0,2,0,0,0,0|2,0,0]=4 18871 B11R0.3 COCCCOCCOCCN 34a_100000211614_100000740836 [0,2,0,0,0,0|2,0,0]=4 18872 B11R0.3 COCCCOCCOCCO 34a_100000740835_100000692535 [0,2,0,0,0,0|1,0,0]=3 18873 B11R0.3 COCCCSCCCCC#N 62a_100000709357_100000211819 [0,2,0,0,0,0|1,0,1]=4 18874 B11R0.3 COCCCSCCCCC#N 62a_100011219923_100000709357 [0,2,0,0,0,0|1,0,1]=4 18875 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [0,2,0,0,0,0|0,0,2]=4 18876 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [0,2,0,0,0,0|0,0,2]=4 18877 B11R0.3 COCCCSCCCCCF 62a_100000709357_100000729378 [0,2,0,0,0,0|1,0,0]=3 18878 B11R0.3 COCCCSCCCCCF 62a_100000729378_100000709357 [0,2,0,0,0,0|1,0,0]=3 18879 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [0,2,0,0,0,0|0,0,0]=2 18880 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [0,2,0,0,0,0|0,0,0]=2 18881 B11R0.3 COCCCSCCOCCO 62a_100000709357_100011215305 [0,2,0,0,0,0|1,0,0]=3 18882 B11R0.3 COCCCSCCOCCO 62a_100011215305_100000709357 [0,2,0,0,0,0|1,0,0]=3 18883 B11R0.3 COCCCSCOCCOC 62a_100000231047_100000709357 [0,2,0,0,0,0|2,0,0]=4 18884 B11R0.3 COCCCSCOCCOC 62a_100000709357_100000231047 [0,2,0,0,0,0|2,0,0]=4 18885 B11R0.3 COCCNCCCCCC#N 2230a_100000209980_100009813376 [0,2,0,0,0,0|1,0,1]=4 18886 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [0,2,0,0,0,0|0,0,2]=4 18887 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [0,2,0,0,0,0|1,0,0]=3 18888 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [0,2,0,0,0,0|0,0,0]=2 18889 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [0,2,0,0,0,0|0,0,0]=2 18890 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [0,2,0,0,0,0|0,0,0]=2 18891 B11R0.3 COCCNCCOCCOC 2230a_100000209980_100000695917 [0,2,0,0,0,0|2,0,0]=4 18892 B11R0.3 COCCNCCOCCOC 2230a_100000745349_100011201679 [0,2,0,0,0,0|2,0,0]=4 18893 B11R0.3 COCCNCCOCCOC 34a_100000745349_100011201679 [0,2,0,0,0,0|2,0,0]=4 18894 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [0,2,0,0,0,0|1,0,0]=3 18895 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [0,2,0,0,0,0|1,0,0]=3 18896 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [0,2,0,0,0,0|1,0,0]=3 18897 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [0,2,0,0,0,0|1,0,0]=3 18898 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [0,2,0,0,0,0|1,0,0]=3 18899 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [0,2,0,0,0,0|1,0,0]=3 18900 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [0,2,0,0,0,0|1,0,0]=3 18901 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [0,2,0,0,0,0|1,0,0]=3 18902 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [0,2,0,0,0,0|0,0,0]=2 18903 B11R0.3 COCCOCCCNCCF 2230a_100000206027_100011217306 [0,2,0,0,0,0|2,0,0]=4 18904 B11R0.3 COCCOCCCNCCF 34a_100000206027_100011217306 [0,2,0,0,0,0|2,0,0]=4 18905 B11R0.3 COCCOCCCNCCF 34a_100000724931_100011216529 [0,2,0,0,0,0|2,0,0]=4 18906 B11R0.3 COCCOCCCNCCO 2230a_100000206027_100000211926 [0,2,0,0,0,0|1,0,0]=3 18907 B11R0.3 COCCOCCCNCCO 2230a_100016997473_100011216529 [0,2,0,0,0,0|1,0,0]=3 18908 B11R0.3 COCCOCCCNCCO 34a_100000206027_100000211926 [0,2,0,0,0,0|1,0,0]=3 18909 B11R0.3 COCCOCCCNCCO 34a_100016990907_100011216529 [0,2,0,0,0,0|1,0,0]=3 18910 B11R0.3 COCCOCCCNCOC 2230a_100000206027_100000766300 [0,2,0,0,0,0|2,0,0]=4 18911 B11R0.3 COCCOCCCNCSC 2230a_100000206027_100011218213 [0,2,0,0,0,0|2,0,0]=4 18912 B11R0.3 COCCOCCCNCSC 34a_100000206027_100011218213 [0,2,0,0,0,0|2,0,0]=4 18913 B11R0.3 COCCOCCCOCCBr 34a_100000211926_100011216529 [0,2,0,0,0,0|2,0,0]=4 18914 B11R0.3 COCCOCCCOCCN 34a_100000210304_100011216529 [0,2,0,0,0,0|2,0,0]=4 18915 B11R0.3 COCCOCCCSCCF 62a_100011216529_100011217306 [0,2,0,0,0,0|2,0,0]=4 18916 B11R0.3 COCCOCCCSCCF 62a_100011217306_100011216529 [0,2,0,0,0,0|2,0,0]=4 18917 B11R0.3 COCCOCCCSCCO 62a_100000211926_100011216529 [0,2,0,0,0,0|1,0,0]=3 18918 B11R0.3 COCCOCCCSCCO 62a_100011216529_100000211926 [0,2,0,0,0,0|1,0,0]=3 18919 B11R0.3 COCCOCCCSCOC 62a_100000766300_100011216529 [0,2,0,0,0,0|2,0,0]=4 18920 B11R0.3 COCCOCCCSCOC 62a_100011216529_100000766300 [0,2,0,0,0,0|2,0,0]=4 18921 B11R0.3 COCCOCCCSCSC 62a_100011216529_100011218213 [0,2,0,0,0,0|2,0,0]=4 18922 B11R0.3 COCCOCCCSCSC 62a_100011218213_100011216529 [0,2,0,0,0,0|2,0,0]=4 18923 B11R0.3 COCCOCCNCCCF 2230a_100000745349_100011934791 [0,2,0,0,0,0|2,0,0]=4 18924 B11R0.3 COCCOCCNCCCF 2230a_100015189416_100000695917 [0,2,0,0,0,0|2,0,0]=4 18925 B11R0.3 COCCOCCNCCCF 34a_100000745349_100011934791 [0,2,0,0,0,0|2,0,0]=4 18926 B11R0.3 COCCOCCNCCCF 34a_100015189416_100000695917 [0,2,0,0,0,0|2,0,0]=4 18927 B11R0.3 COCCOCCNCCCO 2230a_100000745349_100000230001 [0,2,0,0,0,0|1,0,0]=3 18928 B11R0.3 COCCOCCNCCCO 34a_100000745349_100000230001 [0,2,0,0,0,0|1,0,0]=3 18929 B11R0.3 COCCOCCNCCSC 2230a_100000745349_100000751147 [0,2,0,0,0,0|2,0,0]=4 18930 B11R0.3 COCCOCCNCCSC 2230a_100020590264_100000695917 [0,2,0,0,0,0|2,0,0]=4 18931 B11R0.3 COCCOCCNCCSC 34a_100000745349_100000212216 [0,2,0,0,0,0|2,0,0]=4 18932 B11R0.3 COCCOCCOCCCBr 34a_100011217188_100000695917 [0,2,0,0,0,0|2,0,0]=4 18933 B11R0.3 COCCOCCOCCCCl 34a_100000230001_100000695917 [0,2,0,0,0,0|2,0,0]=4 18934 B11R0.3 COCCOCCOCCCF 34a_100000759539_100000695917 [0,2,0,0,0,0|2,0,0]=4 18935 B11R0.3 COCCOCCOCCCF 34a_100011215163_100011934791 [0,2,0,0,0,0|2,0,0]=4 18936 B11R0.3 COCCOCCOCCCF 7a_100011215163_100011934791 [0,2,0,0,0,0|2,0,0]=4 18937 B11R0.3 COCCOCCOCCCN 34a_100000182051_100000695917 [0,2,0,0,0,0|2,0,0]=4 18938 B11R0.3 COCCOCCOCCCN 34a_100011996194_200000210301 [0,2,0,0,0,0|2,0,0]=4 18939 B11R0.3 COCCOCCOCCCO 34a_100011215163_100000230001 [0,2,0,0,0,0|1,0,0]=3 18940 B11R0.3 COCCOCCOCCCO 7a_100011215163_100011215043 [0,2,0,0,0,0|1,0,0]=3 18941 B11R0.3 COCCOCCOCCN[13CH3] 2230a_100012028300_200025704644 [0,2,0,0,0,0|2,0,0]=4 18942 B11R0.3 COCCOCCOCCN[13CH3] 34a_100012028300_200025704644 [0,2,0,0,0,0|2,0,0]=4 18943 B11R0.3 COCCOCCOCCOC 34a_100000210237_100000695917 [0,2,0,0,0,0|2,0,0]=4 18944 B11R0.3 COCCOCCOCCOC 34a_100000688194_200000210301 [0,2,0,0,0,0|2,0,0]=4 18945 B11R0.3 COCCOCCOCCOC 34a_100011215163_100011201679 [0,2,0,0,0,0|2,0,0]=4 18946 B11R0.3 COCCOCCOCCOC 34a_100138415774_100013367474 [0,2,0,0,0,0|2,0,0]=4 18947 B11R0.3 COCCOCCOCCOC 7a_100000688194_200000210301 [0,2,0,0,0,0|2,0,0]=4 18948 B11R0.3 COCCOCCOCCOC 7a_100011215163_100000233755 [0,2,0,0,0,0|2,0,0]=4 18949 B11R0.3 COCCOCCOCCON 34a_100000700252_100000695917 [0,2,0,0,0,0|2,0,0]=4 18950 B11R0.3 COCCOCCOCCO[13CH3] 34a_100000688194_200025704644 [0,2,0,0,0,0|2,0,0]=4 18951 B11R0.3 COCCOCCOCCO[13CH3] 7a_100000688194_200025704644 [0,2,0,0,0,0|2,0,0]=4 18952 B11R0.3 COCCOCCOCCSC 34a_100000230434_100000695917 [0,2,0,0,0,0|2,0,0]=4 18953 B11R0.3 COCCOCCOCCSC 34a_100011215163_100000212216 [0,2,0,0,0,0|2,0,0]=4 18954 B11R0.3 COCCOCCOCCSC 62a_100013367474_200000210301 [0,2,0,0,0,0|2,0,0]=4 18955 B11R0.3 COCCOCCOCCSC 62a_200000210301_100013367474 [0,2,0,0,0,0|2,0,0]=4 18956 B11R0.3 COCCOCCOCCSC 7a_100000230434_100000695917 [0,2,0,0,0,0|2,0,0]=4 18957 B11R0.3 COCCOCCOCCSC 7a_100011215163_100000212216 [0,2,0,0,0,0|2,0,0]=4 18958 B11R0.3 COCCOCCOCCS[13CH3] 62a_100013367474_200025704644 [0,2,0,0,0,0|2,0,0]=4 18959 B11R0.3 COCCOCCOCCS[13CH3] 62a_200025704644_100013367474 [0,2,0,0,0,0|2,0,0]=4 18960 B11R0.3 COCCOCCSCCCF 62a_100000695917_100011934791 [0,2,0,0,0,0|2,0,0]=4 18961 B11R0.3 COCCOCCSCCCF 62a_100011934791_100000695917 [0,2,0,0,0,0|2,0,0]=4 18962 B11R0.3 COCCOCCSCCCO 62a_100000695917_100011215043 [0,2,0,0,0,0|1,0,0]=3 18963 B11R0.3 COCCOCCSCCCO 62a_100011215043_100000695917 [0,2,0,0,0,0|1,0,0]=3 18964 B11R0.3 COCCOCCSCCOC 62a_100000233755_100000695917 [0,2,0,0,0,0|2,0,0]=4 18965 B11R0.3 COCCOCCSCCOC 62a_100000695917_100000233755 [0,2,0,0,0,0|2,0,0]=4 18966 B11R0.3 COCCOCCSCCSC 62a_100000212216_100000695917 [0,2,0,0,0,0|2,0,0]=4 18967 B11R0.3 COCCOCCSCCSC 62a_100000695917_100000751147 [0,2,0,0,0,0|2,0,0]=4 18968 B11R0.3 COCCOCNCCCCO 2230a_100000750430_100000231047 [0,2,0,0,0,0|1,0,0]=3 18969 B11R0.3 COCCOCNCCCSC 2230a_100000749238_100000231047 [0,2,0,0,0,0|2,0,0]=4 18970 B11R0.3 COCCOCSCCCCF 62a_100000231047_100000729493 [0,2,0,0,0,0|2,0,0]=4 18971 B11R0.3 COCCOCSCCCCF 62a_100000729493_100000231047 [0,2,0,0,0,0|2,0,0]=4 18972 B11R0.3 COCCOCSCCCCO 62a_100000210776_100000231047 [0,2,0,0,0,0|1,0,0]=3 18973 B11R0.3 COCCOCSCCCCO 62a_100000231047_100000210776 [0,2,0,0,0,0|1,0,0]=3 18974 B11R0.3 COCCSCCCCCC#N 62a_100000233755_100009813376 [0,2,0,0,0,0|1,0,1]=4 18975 B11R0.3 COCCSCCCCCC#N 62a_100009813376_100000233755 [0,2,0,0,0,0|1,0,1]=4 18976 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [0,2,0,0,0,0|0,0,2]=4 18977 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [0,2,0,0,0,0|0,0,2]=4 18978 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [0,2,0,0,0,0|1,0,0]=3 18979 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [0,2,0,0,0,0|1,0,0]=3 18980 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [0,2,0,0,0,0|0,0,0]=2 18981 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [0,2,0,0,0,0|0,0,0]=2 18982 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [0,2,0,0,0,0|0,0,0]=2 18983 B11R0.3 COCNCCCOCCCO 2230a_100011310245_100000766300 [0,2,0,0,0,0|1,0,0]=3 18984 B11R0.3 COCSCCCCCCC#N 62a_100000766300_100009813337 [0,2,0,0,0,0|1,0,1]=4 18985 B11R0.3 COCSCCCCCCC#N 62a_100009813337_100000766300 [0,2,0,0,0,0|1,0,1]=4 18986 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [0,2,0,0,0,0|0,0,0]=2 18987 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [0,2,0,0,0,0|0,0,0]=2 18988 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [0,2,0,0,0,0|0,0,0]=2 18989 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [0,2,0,0,0,0|0,0,0]=2 18990 B11R0.3 CSCCCCOCC#CCO 34a_100011217163_200000047223 [0,2,0,0,0,0|0,0,2]=4 18991 B11R0.3 CSCCCCOCC#CCO 7a_100011217163_200000047223 [0,2,0,0,0,0|0,0,2]=4 18992 B11R0.3 CSCCCCOCCCC#N 7a_100011217163_100000687738 [0,2,0,0,0,0|1,0,1]=4 18993 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [0,2,0,0,0,0|0,0,2]=4 18994 B11R0.3 CSCCCCOCCCCF 34a_100011217163_100000729493 [0,2,0,0,0,0|1,0,0]=3 18995 B11R0.3 CSCCCCOCCCCF 7a_100011217163_100000729493 [0,2,0,0,0,0|1,0,0]=3 18996 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [0,2,0,0,0,0|0,0,0]=2 18997 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [0,2,0,0,0,0|0,0,0]=2 18998 B11R0.3 CSCCCNCCCCC#N 2230a_100000749238_100000211819 [0,2,0,0,0,0|1,0,1]=4 18999 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [0,2,0,0,0,0|0,0,2]=4 19000 B11R0.3 CSCCCNCCCCCF 2230a_100000749238_100000729378 [0,2,0,0,0,0|1,0,0]=3 19001 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [0,2,0,0,0,0|0,0,0]=2 19002 B11R0.3 CSCCCNCCOCCO 2230a_100000749238_100011215305 [0,2,0,0,0,0|1,0,0]=3 19003 B11R0.3 CSCCCOCCCCC#N 7a_100000690336_100000211819 [0,2,0,0,0,0|1,0,1]=4 19004 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [0,2,0,0,0,0|0,0,2]=4 19005 B11R0.3 CSCCCOCCCCCF 34a_100000690336_100000729378 [0,2,0,0,0,0|1,0,0]=3 19006 B11R0.3 CSCCCOCCCCCF 7a_100000690336_100000729378 [0,2,0,0,0,0|1,0,0]=3 19007 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [0,2,0,0,0,0|0,0,0]=2 19008 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [0,2,0,0,0,0|0,0,0]=2 19009 B11R0.3 CSCCCOCCOCCO 34a_100000690336_100000692535 [0,2,0,0,0,0|1,0,0]=3 19010 B11R0.3 CSCCCOCCOCCO 7a_100000690336_100011215305 [0,2,0,0,0,0|1,0,0]=3 19011 B11R0.3 CSCCNCCCCCC#N 2230a_100020590264_100009813376 [0,2,0,0,0,0|1,0,1]=4 19012 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [0,2,0,0,0,0|0,0,2]=4 19013 B11R0.3 CSCCNCCCCCCF 2230a_100020590264_100015922095 [0,2,0,0,0,0|1,0,0]=3 19014 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [0,2,0,0,0,0|0,0,0]=2 19015 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [0,2,0,0,0,0|0,0,0]=2 19016 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [0,2,0,0,0,0|0,0,0]=2 19017 B11R0.3 CSCCOCCCCCC#N 7a_100000230434_100009813376 [0,2,0,0,0,0|1,0,1]=4 19018 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [0,2,0,0,0,0|0,0,2]=4 19019 B11R0.3 CSCCOCCCCCCBr 34a_100011215345_100000212216 [0,2,0,0,0,0|1,0,0]=3 19020 B11R0.3 CSCCOCCCCCCBr 7a_100011215345_100000212216 [0,2,0,0,0,0|1,0,0]=3 19021 B11R0.3 CSCCOCCCCCCCl 34a_100000766143_100000212216 [0,2,0,0,0,0|1,0,0]=3 19022 B11R0.3 CSCCOCCCCCCCl 7a_100000766143_100000212216 [0,2,0,0,0,0|1,0,0]=3 19023 B11R0.3 CSCCOCCCCCCF 34a_100000230434_100015922095 [0,2,0,0,0,0|1,0,0]=3 19024 B11R0.3 CSCCOCCCCCCF 34a_100000732779_100000212216 [0,2,0,0,0,0|1,0,0]=3 19025 B11R0.3 CSCCOCCCCCCF 7a_100000230434_100015922095 [0,2,0,0,0,0|1,0,0]=3 19026 B11R0.3 CSCCOCCCCCCF 7a_100000732779_100000212216 [0,2,0,0,0,0|1,0,0]=3 19027 B11R0.3 CSCCOCCCCCCN 34a_100000686447_100000212216 [0,2,0,0,0,0|1,0,0]=3 19028 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [0,2,0,0,0,0|0,0,0]=2 19029 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [0,2,0,0,0,0|0,0,0]=2 19030 B11R0.3 CSCCSCCCCCC#N 62a_100000212216_100009813376 [0,2,0,0,0,0|1,0,1]=4 19031 B11R0.3 CSCCSCCCCCC#N 62a_100009813376_100000751147 [0,2,0,0,0,0|1,0,1]=4 19032 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [0,2,0,0,0,0|0,0,2]=4 19033 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [0,2,0,0,0,0|0,0,2]=4 19034 B11R0.3 CSCCSCCCCCCF 62a_100000212216_100015922095 [0,2,0,0,0,0|1,0,0]=3 19035 B11R0.3 CSCCSCCCCCCF 62a_100015922095_100000751147 [0,2,0,0,0,0|1,0,0]=3 19036 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [0,2,0,0,0,0|0,0,0]=2 19037 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [0,2,0,0,0,0|0,0,0]=2 19038 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [0,2,0,0,0,0|0,0,0]=2 19039 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [0,2,0,0,0,0|0,0,0]=2 19040 B11R0.3 CSCNCCCOCCCO 2230a_100011310245_100011218213 [0,2,0,0,0,0|1,0,0]=3 19041 B11R0.3 CSCNCCCOCCCO 34a_100011310245_100011218213 [0,2,0,0,0,0|1,0,0]=3 19042 B11R0.3 CSCOCCCCCCCBr 34a_100000760002_100011218213 [0,2,0,0,0,0|1,0,0]=3 19043 B11R0.3 CSCOCCCCCCCN 34a_100011996573_100011218213 [0,2,0,0,0,0|1,0,0]=3 19044 B11R0.3 CSCOCCCOCCCN 34a_100011310245_100011218213 [0,2,0,0,0,0|2,0,0]=4 19045 B11R0.3 CSCSCCCCCCC#N 62a_100009813337_100011218213 [0,2,0,0,0,0|1,0,1]=4 19046 B11R0.3 CSCSCCCCCCC#N 62a_100011218213_100009813337 [0,2,0,0,0,0|1,0,1]=4 19047 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [0,2,0,0,0,0|0,0,0]=2 19048 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [0,2,0,0,0,0|0,0,0]=2 19049 B11R0.3 FCCCCCCNCCCF 2230a_100015189416_100015922095 [0,2,0,0,0,0|1,0,0]=3 19050 B11R0.3 FCCCCCCNCCCF 34a_100015189416_100015922095 [0,2,0,0,0,0|1,0,0]=3 19051 B11R0.3 FCCCCCCOCCCBr 34a_100011217188_100015922095 [0,2,0,0,0,0|1,0,0]=3 19052 B11R0.3 FCCCCCCOCCCCl 34a_100000230001_100015922095 [0,2,0,0,0,0|1,0,0]=3 19053 B11R0.3 FCCCCCCOCCCF 34a_100000732779_100011934791 [0,2,0,0,0,0|1,0,0]=3 19054 B11R0.3 FCCCCCCOCCCF 34a_100000759539_100015922095 [0,2,0,0,0,0|1,0,0]=3 19055 B11R0.3 FCCCCCCOCCCF 7a_100000732779_100011934791 [0,2,0,0,0,0|1,0,0]=3 19056 B11R0.3 FCCCCCCSCCCF 62a_100011934791_100015922095 [0,2,0,0,0,0|1,0,0]=3 19057 B11R0.3 FCCCCCCSCCCF 62a_100015922095_100011934791 [0,2,0,0,0,0|1,0,0]=3 19058 B11R0.3 FCCCCCOCCCCBr 34a_100011216708_100000729378 [0,2,0,0,0,0|1,0,0]=3 19059 B11R0.3 FCCCCCOCCCCCl 34a_100000210776_100000729378 [0,2,0,0,0,0|1,0,0]=3 19060 B11R0.3 FCCCCCOCCCCCl 7a_100000210776_100000729378 [0,2,0,0,0,0|1,0,0]=3 19061 B11R0.3 FCCCCCOCCCCF 34a_100011995726_100000729378 [0,2,0,0,0,0|1,0,0]=3 19062 B11R0.3 FCCCCCOCCCCF 7a_100011995726_100000729378 [0,2,0,0,0,0|1,0,0]=3 19063 B11R0.3 FCCCCCOCCCCI 34a_200012148704_100000729378 [0,2,0,0,0,0|1,0,0]=3 19064 B11R0.3 FCCCCCSCCCCF 62a_100000729378_100000729493 [0,2,0,0,0,0|1,0,0]=3 19065 B11R0.3 FCCCCCSCCCCF 62a_100000729493_100000729378 [0,2,0,0,0,0|1,0,0]=3 19066 B11R0.3 FCCCCOCCCCCBr 34a_100000746331_100000729493 [0,2,0,0,0,0|1,0,0]=3 19067 B11R0.3 FCCCCOCCCCCBr 7a_100000746331_100000729493 [0,2,0,0,0,0|1,0,0]=3 19068 B11R0.3 FCCCCOCCCCCCl 34a_100000746330_100000729493 [0,2,0,0,0,0|1,0,0]=3 19069 B11R0.3 FCCCCOCCCCCCl 7a_100000746330_100000729493 [0,2,0,0,0,0|1,0,0]=3 19070 B11R0.3 FCCCCOCCCCCI 34a_200012148887_100000729493 [0,2,0,0,0,0|1,0,0]=3 19071 B11R0.3 FCCCCOCCCCCI 7a_200012148887_100000729493 [0,2,0,0,0,0|1,0,0]=3 19072 B11R0.3 FCCCCOCCOCCBr 34a_100000692535_100000729493 [0,2,0,0,0,0|2,0,0]=4 19073 B11R0.3 FCCCCOCCOCCBr 7a_100000692535_100000729493 [0,2,0,0,0,0|2,0,0]=4 19074 B11R0.3 FCCCCOCCOCCCl 34a_100011215305_100000729493 [0,2,0,0,0,0|2,0,0]=4 19075 B11R0.3 FCCCCOCCOCCCl 7a_100011215305_100000729493 [0,2,0,0,0,0|2,0,0]=4 19076 B11R0.3 FCCCCOCCOCCF 34a_200015357709_100000729493 [0,2,0,0,0,0|2,0,0]=4 19077 B11R0.3 FCCCCOCCOCCF 7a_200015357709_100000729493 [0,2,0,0,0,0|2,0,0]=4 19078 B11R0.3 FCCCCOCCOCCI 34a_100012149058_100000729493 [0,2,0,0,0,0|2,0,0]=4 19079 B11R0.3 FCCCCOCCOCCI 7a_100012149058_100000729493 [0,2,0,0,0,0|2,0,0]=4 19080 B11R0.3 FCCCOCCCCCCBr 34a_100011215345_100011934791 [0,2,0,0,0,0|1,0,0]=3 19081 B11R0.3 FCCCOCCCCCCBr 7a_100011215345_100011934791 [0,2,0,0,0,0|1,0,0]=3 19082 B11R0.3 FCCCOCCCCCCCl 34a_100000766143_100011934791 [0,2,0,0,0,0|1,0,0]=3 19083 B11R0.3 FCCCOCCCCCCCl 7a_100000766143_100011934791 [0,2,0,0,0,0|1,0,0]=3 19084 B11R0.3 FCCOCCCCCCCBr 34a_100000760002_100011217306 [0,2,0,0,0,0|1,0,0]=3 19085 B11R0.3 FCCOCCCCCCCBr 7a_100000760002_100011217306 [0,2,0,0,0,0|1,0,0]=3 19086 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [0,2,0,0,0,0|1,0,0]=3 19087 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [0,2,0,0,0,0|1,0,0]=3 19088 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [0,2,0,0,0,0|1,0,0]=3 19089 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [0,2,0,0,0,0|1,0,0]=3 19090 B11R0.3 N#CCCCCCCNCCO 2230a_100016997473_100009813337 [0,2,0,0,0,0|0,0,1]=3 19091 B11R0.3 N#CCCCCCCSCCF 62a_100009813337_100011217306 [0,2,0,0,0,0|1,0,1]=4 19092 B11R0.3 N#CCCCCCCSCCF 62a_100011217306_100009813337 [0,2,0,0,0,0|1,0,1]=4 19093 B11R0.3 N#CCCCCCCSCCO 62a_100000211926_100009813337 [0,2,0,0,0,0|0,0,1]=3 19094 B11R0.3 N#CCCCCCCSCCO 62a_100009813337_100000211926 [0,2,0,0,0,0|0,0,1]=3 19095 B11R0.3 N#CCCCCCNCCCF 2230a_100015189416_100009813376 [0,2,0,0,0,0|1,0,1]=4 19096 B11R0.3 N#CCCCCCSCCCF 62a_100009813376_100011934791 [0,2,0,0,0,0|1,0,1]=4 19097 B11R0.3 N#CCCCCCSCCCF 62a_100011934791_100009813376 [0,2,0,0,0,0|1,0,1]=4 19098 B11R0.3 N#CCCCCCSCCCO 62a_100009813376_100011215043 [0,2,0,0,0,0|0,0,1]=3 19099 B11R0.3 N#CCCCCCSCCCO 62a_100011215043_100009813376 [0,2,0,0,0,0|0,0,1]=3 19100 B11R0.3 N#CCCCCNCCCCO 2230a_100000750430_100000211819 [0,2,0,0,0,0|0,0,1]=3 19101 B11R0.3 N#CCCCCOCCCCCl 7a_100000210776_100000211819 [0,2,0,0,0,0|1,0,1]=4 19102 B11R0.3 N#CCCCCOCCCCF 7a_100011995726_100000211819 [0,2,0,0,0,0|1,0,1]=4 19103 B11R0.3 N#CCCCCSCCCCF 62a_100000729493_100000211819 [0,2,0,0,0,0|1,0,1]=4 19104 B11R0.3 N#CCCCCSCCCCF 62a_100011219923_100000729493 [0,2,0,0,0,0|1,0,1]=4 19105 B11R0.3 N#CCCCCSCCCCO 62a_100000210776_100000211819 [0,2,0,0,0,0|0,0,1]=3 19106 B11R0.3 N#CCCCCSCCCCO 62a_100011219923_100000210776 [0,2,0,0,0,0|0,0,1]=3 19107 B11R0.3 N#CCCCNCCCCCO 2230a_100000762737_100000687738 [0,2,0,0,0,0|0,0,1]=3 19108 B11R0.3 N#CCCCNCCOCCO 2230a_100000211614_100000687738 [0,2,0,0,0,0|1,0,1]=4 19109 B11R0.3 N#CCCCNCCSCCO 2230a_100011219999_100000687738 [0,2,0,0,0,0|1,0,1]=4 19110 B11R0.3 N#CCCCOCCCCCBr 7a_100000746331_100000687738 [0,2,0,0,0,0|1,0,1]=4 19111 B11R0.3 N#CCCCOCCCCCCl 7a_100000746330_100000687738 [0,2,0,0,0,0|1,0,1]=4 19112 B11R0.3 N#CCCCOCCCCCI 7a_200012148887_100000687738 [0,2,0,0,0,0|1,0,1]=4 19113 B11R0.3 N#CCCCSCCCCCF 62a_100000687738_100000729378 [0,2,0,0,0,0|1,0,1]=4 19114 B11R0.3 N#CCCCSCCCCCF 62a_100000729378_100000687738 [0,2,0,0,0,0|1,0,1]=4 19115 B11R0.3 N#CCCCSCCCCCO 62a_100000687738_100000746330 [0,2,0,0,0,0|0,0,1]=3 19116 B11R0.3 N#CCCCSCCCCCO 62a_100000746330_100000687738 [0,2,0,0,0,0|0,0,1]=3 19117 B11R0.3 N#CCCCSCCOCCO 62a_100000687738_100011215305 [0,2,0,0,0,0|1,0,1]=4 19118 B11R0.3 N#CCCCSCCOCCO 62a_100011215305_100000687738 [0,2,0,0,0,0|1,0,1]=4 19119 B11R0.3 N#CCCNCCCCCCO 2230a_100000686447_100011215226 [0,2,0,0,0,0|0,0,1]=3 19120 B11R0.3 N#CCCOCCCCCCBr 7a_100011215345_100000184422 [0,2,0,0,0,0|1,0,1]=4 19121 B11R0.3 N#CCCOCCCCCCCl 7a_100000766143_100000184422 [0,2,0,0,0,0|1,0,1]=4 19122 B11R0.3 N#CCCOCCCCCCF 7a_100000732779_100000184422 [0,2,0,0,0,0|1,0,1]=4 19123 B11R0.3 N#CCCSCCCCCCF 62a_100011215226_100015922095 [0,2,0,0,0,0|1,0,1]=4 19124 B11R0.3 N#CCCSCCCCCCF 62a_100015922095_100011215226 [0,2,0,0,0,0|1,0,1]=4 19125 B11R0.3 N#CCCSCCCCCCO 62a_100000766143_100011215226 [0,2,0,0,0,0|0,0,1]=3 19126 B11R0.3 N#CCCSCCCCCCO 62a_100011215226_100000766143 [0,2,0,0,0,0|0,0,1]=3 19127 B11R0.3 N#CCNCCCCCCCO 2230a_100011996573_100011215382 [0,2,0,0,0,0|0,0,1]=3 19128 B11R0.3 N#CCNCCCOCCCO 2230a_100011310245_100011215382 [0,2,0,0,0,0|1,0,1]=4 19129 B11R0.3 N#CCOCCCCCCCBr 7a_100000760002_100011215382 [0,2,0,0,0,0|1,0,1]=4 19130 B11R0.3 N#CCOCCNCCCCO 2230a_100000750430_200000047693 [0,2,0,0,0,0|1,0,1]=4 19131 B11R0.3 N#CCOCCSCCCCO 62a_100000210776_200000047693 [0,2,0,0,0,0|1,0,1]=4 19132 B11R0.3 N#CCOCCSCCCCO 62a_200000047693_100000210776 [0,2,0,0,0,0|1,0,1]=4 19133 B11R0.3 N#CCSCCCCCCCO 62a_100000760002_100011215382 [0,2,0,0,0,0|0,0,1]=3 19134 B11R0.3 N#CCSCCCCCCCO 62a_100011215382_100000760002 [0,2,0,0,0,0|0,0,1]=3 19135 B11R0.3 N#CSCCSCCCCCO 62a_100000034367_100000746330 [0,2,0,0,0,0|1,0,1]=4 19136 B11R0.3 N#CSCCSCCCCCO 62a_100000746330_100000034367 [0,2,0,0,0,0|1,0,1]=4 19137 B11R0.3 N#CSCSCCCCCCO 62a_100000211825_100000766143 [0,2,0,0,0,0|1,0,1]=4 19138 B11R0.3 N#CSCSCCCCCCO 62a_100000766143_100000211825 [0,2,0,0,0,0|1,0,1]=4 19139 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [0,2,0,0,0,0|1,0,0]=3 19140 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [0,2,0,0,0,0|0,0,2]=4 19141 B11R0.3 NCCCCCCCOCCF 34a_100011996573_100011217306 [0,2,0,0,0,0|1,0,0]=3 19142 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [0,2,0,0,0,0|0,0,0]=2 19143 B11R0.3 NCCCCCCOCCCF 34a_100000686447_100011934791 [0,2,0,0,0,0|1,0,0]=3 19144 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [0,2,0,0,0,0|0,0,0]=2 19145 B11R0.3 NCCCCCOCC#CCO 34a_100000762737_200000047223 [0,2,0,0,0,0|0,0,2]=4 19146 B11R0.3 NCCCCCOCCCCF 34a_100000762737_100000729493 [0,2,0,0,0,0|1,0,0]=3 19147 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [0,2,0,0,0,0|0,0,0]=2 19148 B11R0.3 NCCCCOCCCCCF 34a_100000750430_100000729378 [0,2,0,0,0,0|1,0,0]=3 19149 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [0,2,0,0,0,0|0,0,0]=2 19150 B11R0.3 NCCCCOCCOCCO 34a_100000750430_100000692535 [0,2,0,0,0,0|1,0,0]=3 19151 B11R0.3 NCCCOCCCCCCF 34a_100000182051_100015922095 [0,2,0,0,0,0|1,0,0]=3 19152 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [0,2,0,0,0,0|0,0,0]=2 19153 B11R0.3 NCCCOCCCOCCF 34a_100011310245_100011217306 [0,2,0,0,0,0|2,0,0]=4 19154 B11R0.3 NCCCOCCCOCCO 34a_100011310245_100000211926 [0,2,0,0,0,0|1,0,0]=3 19155 B11R0.3 NCCNCCCCCOCF 34a_103619048469_100015361967 [0,2,0,0,0,0|2,0,0]=4 19156 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [0,2,0,0,0,0|0,0,0]=2 19157 B11R0.3 NCCOCCOCCCCF 34a_100000211614_100000729493 [0,2,0,0,0,0|2,0,0]=4 19158 B11R0.3 NCCOCCOCCCCO 34a_100000211614_100011216708 [0,2,0,0,0,0|1,0,0]=3 19159 B11R0.3 NOCCOCCCCCCF 34a_100000700252_100015922095 [0,2,0,0,0,0|1,0,0]=3 19160 B11R0.3 NOCCOCCCCCCO 34a_100000700252_100000766143 [0,2,0,0,0,0|1,0,0]=3 19161 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [0,2,0,0,0,0|0,0,2]=4 19162 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [0,2,0,0,0,0|0,0,2]=4 19163 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [0,2,0,0,0,0|0,0,2]=4 19164 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [0,2,0,0,0,0|0,0,1]=3 19165 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [0,2,0,0,0,0|0,0,1]=3 19166 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [0,2,0,0,0,0|0,0,1]=3 19167 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [0,2,0,0,0,0|0,0,2]=4 19168 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [0,2,0,0,0,0|0,0,2]=4 19169 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [0,2,0,0,0,0|0,0,2]=4 19170 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [0,2,0,0,0,0|0,0,2]=4 19171 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [0,2,0,0,0,0|0,0,1]=3 19172 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [0,2,0,0,0,0|0,0,1]=3 19173 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [0,2,0,0,0,0|0,0,1]=3 19174 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [0,2,0,0,0,0|1,0,1]=4 19175 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [0,2,0,0,0,0|1,0,1]=4 19176 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [0,2,0,0,0,0|0,0,2]=4 19177 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [0,2,0,0,0,0|0,0,2]=4 19178 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [0,2,0,0,0,0|0,0,2]=4 19179 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [0,2,0,0,0,0|0,0,2]=4 19180 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [0,2,0,0,0,0|0,0,2]=4 19181 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [0,2,0,0,0,0|0,0,1]=3 19182 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [0,2,0,0,0,0|0,0,1]=3 19183 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [0,2,0,0,0,0|1,0,1]=4 19184 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [0,2,0,0,0,0|1,0,1]=4 19185 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [0,2,0,0,0,0|0,0,1]=3 19186 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [0,2,0,0,0,0|0,0,1]=3 19187 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [0,2,0,0,0,0|1,0,1]=4 19188 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [0,2,0,0,0,0|1,0,1]=4 19189 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [0,2,0,0,0,0|0,0,2]=4 19190 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [0,2,0,0,0,0|0,0,2]=4 19191 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [0,2,0,0,0,0|0,0,1]=3 19192 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [0,2,0,0,0,0|0,0,1]=3 19193 B11R0.3 OCC#CCNCCCCCO 2230a_100000762737_200000047223 [0,2,0,0,0,0|0,0,2]=4 19194 B11R0.3 OCC#CCNCCCCCO 34a_100000762737_200000047223 [0,2,0,0,0,0|0,0,2]=4 19195 B11R0.3 OCC#CCOCCCCCBr 34a_100000746331_200000047223 [0,2,0,0,0,0|0,0,2]=4 19196 B11R0.3 OCC#CCOCCCCCBr 7a_100000746331_200000047223 [0,2,0,0,0,0|0,0,2]=4 19197 B11R0.3 OCC#CCOCCCCCCl 34a_100000746330_200000047223 [0,2,0,0,0,0|0,0,2]=4 19198 B11R0.3 OCC#CCOCCCCCCl 7a_100000746330_200000047223 [0,2,0,0,0,0|0,0,2]=4 19199 B11R0.3 OCC#CCOCCCCCI 34a_200012148887_200000047223 [0,2,0,0,0,0|0,0,2]=4 19200 B11R0.3 OCC#CCOCCCCCI 7a_200012148887_200000047223 [0,2,0,0,0,0|0,0,2]=4 19201 B11R0.3 OCC#CCSCCCCCF 62a_100000729378_200000047223 [0,2,0,0,0,0|0,0,2]=4 19202 B11R0.3 OCC#CCSCCCCCF 62a_200000047223_100000729378 [0,2,0,0,0,0|0,0,2]=4 19203 B11R0.3 OCC#CCSCCCCCO 62a_100000746330_200000047223 [0,2,0,0,0,0|0,0,2]=4 19204 B11R0.3 OCC#CCSCCCCCO 62a_200000047223_100000746330 [0,2,0,0,0,0|0,0,2]=4 19205 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [0,2,0,0,0,0|0,0,0]=2 19206 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [0,2,0,0,0,0|0,0,0]=2 19207 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [0,2,0,0,0,0|0,0,0]=2 19208 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [0,2,0,0,0,0|0,0,0]=2 19209 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [0,2,0,0,0,0|0,0,0]=2 19210 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [0,2,0,0,0,0|0,0,0]=2 19211 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [0,2,0,0,0,0|0,0,0]=2 19212 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [0,2,0,0,0,0|0,0,0]=2 19213 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [0,2,0,0,0,0|0,0,0]=2 19214 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [0,2,0,0,0,0|0,0,0]=2 19215 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [0,2,0,0,0,0|0,0,0]=2 19216 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [0,2,0,0,0,0|0,0,0]=2 19217 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [0,2,0,0,0,0|0,0,0]=2 19218 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [0,2,0,0,0,0|0,0,0]=2 19219 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [0,2,0,0,0,0|0,0,0]=2 19220 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [0,2,0,0,0,0|0,0,0]=2 19221 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [0,2,0,0,0,0|0,0,0]=2 19222 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [0,2,0,0,0,0|0,0,0]=2 19223 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [0,2,0,0,0,0|0,0,0]=2 19224 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [0,2,0,0,0,0|0,0,0]=2 19225 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [0,2,0,0,0,0|0,0,0]=2 19226 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [0,2,0,0,0,0|0,0,0]=2 19227 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [0,2,0,0,0,0|0,0,0]=2 19228 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [0,2,0,0,0,0|0,0,0]=2 19229 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [0,2,0,0,0,0|0,0,0]=2 19230 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [0,2,0,0,0,0|0,0,0]=2 19231 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [0,2,0,0,0,0|0,0,0]=2 19232 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [0,2,0,0,0,0|0,0,0]=2 19233 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [0,2,0,0,0,0|0,0,0]=2 19234 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [0,2,0,0,0,0|0,0,0]=2 19235 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [0,2,0,0,0,0|0,0,0]=2 19236 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [0,2,0,0,0,0|0,0,0]=2 19237 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [0,2,0,0,0,0|0,0,0]=2 19238 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [0,2,0,0,0,0|0,0,0]=2 19239 B11R0.3 OCCCCCOCC#CCCl 34a_200000047223_100000746330 [0,2,0,0,0,0|0,0,2]=4 19240 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [0,2,0,0,0,0|0,0,0]=2 19241 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [0,2,0,0,0,0|0,0,0]=2 19242 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [0,2,0,0,0,0|0,0,0]=2 19243 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [0,2,0,0,0,0|0,0,0]=2 19244 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [0,2,0,0,0,0|0,0,0]=2 19245 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [0,2,0,0,0,0|0,0,0]=2 19246 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [0,2,0,0,0,0|0,0,0]=2 19247 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [0,2,0,0,0,0|0,0,0]=2 19248 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [0,2,0,0,0,0|0,0,0]=2 19249 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [0,2,0,0,0,0|0,0,0]=2 19250 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [0,2,0,0,0,0|0,0,0]=2 19251 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [0,2,0,0,0,0|0,0,0]=2 19252 B11R0.3 OCCCCNCCOCCO 2230a_100000211614_100000210776 [0,2,0,0,0,0|1,0,0]=3 19253 B11R0.3 OCCCCNCCOCCO 2230a_100000750430_100011215305 [0,2,0,0,0,0|1,0,0]=3 19254 B11R0.3 OCCCCNCCOCCO 34a_100000211614_100011216708 [0,2,0,0,0,0|1,0,0]=3 19255 B11R0.3 OCCCCNCCOCCO 34a_100000750430_100000692535 [0,2,0,0,0,0|1,0,0]=3 19256 B11R0.3 OCCCCNCCSCCO 2230a_100011219999_100000210776 [0,2,0,0,0,0|1,0,0]=3 19257 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [0,2,0,0,0,0|0,0,0]=2 19258 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [0,2,0,0,0,0|0,0,0]=2 19259 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [0,2,0,0,0,0|0,0,0]=2 19260 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [0,2,0,0,0,0|0,0,0]=2 19261 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [0,2,0,0,0,0|0,0,0]=2 19262 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [0,2,0,0,0,0|0,0,0]=2 19263 B11R0.3 OCCCCOCCOCCBr 34a_100000692535_100011216708 [0,2,0,0,0,0|1,0,0]=3 19264 B11R0.3 OCCCCOCCOCCBr 7a_100000692535_100000210776 [0,2,0,0,0,0|1,0,0]=3 19265 B11R0.3 OCCCCOCCOCCCl 34a_100011215305_100011216708 [0,2,0,0,0,0|1,0,0]=3 19266 B11R0.3 OCCCCOCCOCCCl 7a_100011215305_100000210776 [0,2,0,0,0,0|1,0,0]=3 19267 B11R0.3 OCCCCOCCOCCF 34a_200015357709_100011216708 [0,2,0,0,0,0|1,0,0]=3 19268 B11R0.3 OCCCCOCCOCCF 7a_200015357709_100000210776 [0,2,0,0,0,0|1,0,0]=3 19269 B11R0.3 OCCCCOCCOCCI 34a_100012149058_100011216708 [0,2,0,0,0,0|1,0,0]=3 19270 B11R0.3 OCCCCOCCOCCI 7a_100012149058_100000210776 [0,2,0,0,0,0|1,0,0]=3 19271 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [0,2,0,0,0,0|0,0,0]=2 19272 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [0,2,0,0,0,0|0,0,0]=2 19273 B11R0.3 OCCCCSCCOCCO 62a_100000210776_100011215305 [0,2,0,0,0,0|1,0,0]=3 19274 B11R0.3 OCCCCSCCOCCO 62a_100011215305_100000210776 [0,2,0,0,0,0|1,0,0]=3 19275 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [0,2,0,0,0,0|0,0,0]=2 19276 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [0,2,0,0,0,0|0,0,0]=2 19277 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [0,2,0,0,0,0|0,0,0]=2 19278 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [0,2,0,0,0,0|0,0,0]=2 19279 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [0,2,0,0,0,0|0,0,0]=2 19280 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [0,2,0,0,0,0|0,0,0]=2 19281 B11R0.3 OCCCOCCCNCCF 2230a_100011310245_100011217306 [0,2,0,0,0,0|1,0,0]=3 19282 B11R0.3 OCCCOCCCNCCF 34a_100011310245_100011217306 [0,2,0,0,0,0|1,0,0]=3 19283 B11R0.3 OCCCOCCCNCCO 2230a_100011310245_100000211926 [0,2,0,0,0,0|1,0,0]=3 19284 B11R0.3 OCCCOCCCNCCO 34a_100011310245_100000211926 [0,2,0,0,0,0|1,0,0]=3 19285 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [0,2,0,0,0,0|0,0,0]=2 19286 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [0,2,0,0,0,0|0,0,0]=2 19287 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [0,2,0,0,0,0|0,0,0]=2 19288 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [0,2,0,0,0,0|0,0,0]=2 19289 B11R0.3 OCCOCCNCCCCF 2230a_100000211614_100000729493 [0,2,0,0,0,0|1,0,0]=3 19290 B11R0.3 OCCOCCNCCCCF 34a_100000211614_100000729493 [0,2,0,0,0,0|1,0,0]=3 19291 B11R0.3 OCCOCCOCCCCBr 34a_100011216708_100000692535 [0,2,0,0,0,0|1,0,0]=3 19292 B11R0.3 OCCOCCOCCCCCl 34a_100000210776_100000692535 [0,2,0,0,0,0|1,0,0]=3 19293 B11R0.3 OCCOCCOCCCCCl 7a_100000210776_100011215305 [0,2,0,0,0,0|1,0,0]=3 19294 B11R0.3 OCCOCCOCCCCF 34a_100011995726_100000692535 [0,2,0,0,0,0|1,0,0]=3 19295 B11R0.3 OCCOCCOCCCCF 7a_100011995726_100011215305 [0,2,0,0,0,0|1,0,0]=3 19296 B11R0.3 OCCOCCOCCCCI 34a_200012148704_100000692535 [0,2,0,0,0,0|1,0,0]=3 19297 B11R0.3 OCCOCCOCCNCF 34a_100011998139_100015361967 [0,2,0,0,0,0|2,0,0]=4 19298 B11R0.3 OCCOCCOCCSCF 62a_100000032323_100015361967 [0,2,0,0,0,0|2,0,0]=4 19299 B11R0.3 OCCOCCOCCSCF 62a_100015361967_100000032323 [0,2,0,0,0,0|2,0,0]=4 19300 B11R0.3 OCCOCCSCCCCF 62a_100000729493_100011215305 [0,2,0,0,0,0|1,0,0]=3 19301 B11R0.3 OCCOCCSCCCCF 62a_100011215305_100000729493 [0,2,0,0,0,0|1,0,0]=3 19302 B11R0.3 OCCSCCNCCCCF 2230a_100011219999_100000729493 [0,2,0,0,0,0|1,0,0]=3 19303 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [0,2,0,0,0,0|0,0,0]=2 19304 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [0,2,0,0,0,0|0,0,0]=2 19305 B11R0.3 [13CH3]NCCCOCCOCCO 2230a_100011996194_200025704644 [0,2,0,0,0,0|1,0,0]=3 19306 B11R0.3 [13CH3]NCCCOCCOCCO 34a_100011996194_200025704644 [0,2,0,0,0,0|1,0,0]=3 19307 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [0,2,0,0,0,0|0,0,0]=2 19308 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [0,2,0,0,0,0|0,0,0]=2 19309 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [0,2,0,0,0,0|0,0,0]=2 19310 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [0,2,0,0,0,0|0,0,0]=2 19311 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [0,2,0,0,0,0|0,0,0]=2 19312 B11R0.3 [13CH3]OCCOCCOCCCN 34a_100011996194_200025704644 [0,2,0,0,0,0|2,0,0]=4 19313 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [0,2,0,0,0,0|0,0,0]=2 19314 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [0,2,0,0,0,0|0,0,0]=2 19315 B11R0.3 [N-]=[N+]=NCCCCNCCCO 2230a_100000101370_100000230001 [0,2,0,0,0,0|2,0,0]=4 19316 B11R0.3 [N-]=[N+]=NCCCNCCCCO 2230a_100000744732_100000210776 [0,2,0,0,0,0|2,0,0]=4 19317 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000212188_100000731252 [0,2,0,0,0,0|1,0,1]=4 19318 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000690238_100000210326 [0,2,0,0,0,0|1,0,1]=4 19319 B11R0.140 C#CCCCC(=O)CCCCO 1458a_100000690238_100000210776 [0,2,0,0,0,0|0,0,2]=4 19320 B11R0.140 C#CCCCC(=O)CCCCO 1458a_100000695505_100000731252 [0,2,0,0,0,0|0,0,2]=4 19321 B11R0.140 C#CCCCN(C)CCCCC 2230a_100000223495_100000731252 [0,2,0,0,0,0|1,0,1]=4 19322 B11R0.140 C#CCCCN(C)CCCCC 269982a_100000223495_100011215417 [0,2,0,0,0,0|1,0,1]=4 19323 B11R0.140 C#CCCCN(C)CCCCO 2230a_100000717598_100000731252 [0,2,0,0,0,0|0,0,2]=4 19324 B11R0.140 C#CCCCN(C)CCCCO 269982a_100000717598_100011215417 [0,2,0,0,0,0|0,0,2]=4 19325 B11R0.140 C#CCCNC(C)CCCCC 2230a_100000211957_100000688953 [0,2,0,0,0,0|1,0,1]=4 19326 B11R0.140 C#CCCNC(C)CCCCC 34a_100000755551_200011218191 [0,2,0,0,0,0|1,0,1]=4 19327 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215631_200011218191 [0,2,0,0,0,0|1,0,1]=4 19328 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215632_100000688953 [0,2,0,0,0,0|1,0,1]=4 19329 B11R0.140 C#CCCOC(C)CCCCC 7a_100011215632_100000688953 [0,2,0,0,0,0|1,0,1]=4 19330 B11R0.140 C#CCCSC(C)CCCCC 62a_100000688953_200011218191 [0,2,0,0,0,0|1,0,1]=4 19331 B11R0.140 C#CCCSC(C)CCCCC 62a_200011218191_100000688953 [0,2,0,0,0,0|1,0,1]=4 19332 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [0,2,0,0,0,0|1,0,1]=4 19333 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [0,2,0,0,0,0|1,0,1]=4 19334 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000695505_100000757094 [0,2,0,0,0,0|0,0,2]=4 19335 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000766728_100000210776 [0,2,0,0,0,0|0,0,2]=4 19336 B11R0.140 C=CCCCN(C)CCCCC 2230a_100000223495_100011713584 [0,2,0,0,0,0|1,0,1]=4 19337 B11R0.140 C=CCCCN(C)CCCCC 269982a_100000223495_100000757094 [0,2,0,0,0,0|1,0,1]=4 19338 B11R0.140 C=CCCCN(C)CCCCO 2230a_100000717598_100011713584 [0,2,0,0,0,0|0,0,2]=4 19339 B11R0.140 C=CCCCN(C)CCCCO 269982a_100000717598_100000757094 [0,2,0,0,0,0|0,0,2]=4 19340 B11R0.140 C=CCCNC(C)CCCCC 2230a_100000211957_100000754431 [0,2,0,0,0,0|1,0,1]=4 19341 B11R0.140 C=CCCNC(C)CCCCC 2230a_100015191253_200011218191 [0,2,0,0,0,0|1,0,1]=4 19342 B11R0.140 C=CCCNC(C)CCCCC 270004a_100015191253_100000211708 [0,2,0,0,0,0|1,0,1]=4 19343 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [0,2,0,0,0,0|1,0,1]=4 19344 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [0,2,0,0,0,0|1,0,1]=4 19345 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [0,2,0,0,0,0|1,0,1]=4 19346 B11R0.140 C=CCCSC(C)CCCCC 62a_100000754431_200011218191 [0,2,0,0,0,0|1,0,1]=4 19347 B11R0.140 C=CCCSC(C)CCCCC 62a_200011218191_100000754431 [0,2,0,0,0,0|1,0,1]=4 19348 B11R0.140 CC(CCCC#N)NCCCO 270004a_100000182051_200000032708 [0,2,0,0,0,0|1,0,1]=4 19349 B11R0.140 CC/C=C/CC(=O)CCCCO 1458a_100016274230_100000210776 [0,2,0,0,0,0|0,0,2]=4 19350 B11R0.140 CC/C=C\CC(=O)CCCCO 1458a_100000695505_100103147603 [0,2,0,0,0,0|0,0,2]=4 19351 B11R0.140 CC/C=C\CN(C)CCCCO 2230a_100000717598_100103147603 [0,2,0,0,0,0|0,0,2]=4 19352 B11R0.140 CC/C=C\CN(C)CCCCO 269982a_100000717598_100103147603 [0,2,0,0,0,0|0,0,2]=4 19353 B11R0.140 CCC#CCC(=O)CCCCO 1458a_100000695505_100009813939 [0,2,0,0,0,0|0,0,2]=4 19354 B11R0.140 CCC#CCC(C)OCCCO 34a_200000035118_100000230001 [0,2,0,0,0,0|0,0,2]=4 19355 B11R0.140 CCC#CCC(C)OCCCO 7a_200000035118_100011215043 [0,2,0,0,0,0|0,0,2]=4 19356 B11R0.140 CCC#CCN(C)CCCCO 2230a_100000717598_100009813939 [0,2,0,0,0,0|0,0,2]=4 19357 B11R0.140 CCCC#CC(=O)CCCCO 1458a_200011218047_100000210776 [0,2,0,0,0,0|0,0,2]=4 19358 B11R0.140 CCCC=CC(=O)CCCCO 1458a_100000212230_100000210776 [0,2,0,0,0,0|0,0,2]=4 19359 B11R0.140 CCCCCC(=NNCCO)C 4a_100000210001_100000211708 [0,2,0,0,0,0|1,0,1]=4 19360 B11R0.140 CCCCCC(=O)CC#CCO 1458a_100000212188_200000047223 [0,2,0,0,0,0|0,0,2]=4 19361 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000075515_100000210326 [0,2,0,0,0,0|1,0,1]=4 19362 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000212188_100000211468 [0,2,0,0,0,0|1,0,1]=4 19363 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [0,2,0,0,0,0|1,0,0]=3 19364 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [0,2,0,0,0,0|1,0,0]=3 19365 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [0,2,0,0,0,0|0,0,0]=2 19366 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [0,2,0,0,0,0|0,0,0]=2 19367 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [0,2,0,0,0,0|0,0,1]=3 19368 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [0,2,0,0,0,0|0,0,1]=3 19369 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [0,2,0,0,0,0|0,1,1]=4 19370 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [0,2,0,0,0,0|1,0,1]=4 19371 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [0,2,0,0,0,0|1,0,1]=4 19372 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000212188_100000757381 [0,2,0,0,0,0|1,0,1]=4 19373 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000230768_100000210326 [0,2,0,0,0,0|1,0,1]=4 19374 B11R0.140 CCCCCC(=O)CNCCF 34a_100000724931_200012276598 [0,2,0,0,0,0|1,0,1]=4 19375 B11R0.140 CCCCCC(=O)CNCCO 2230a_100016997473_200012276598 [0,2,0,0,0,0|0,0,1]=3 19376 B11R0.140 CCCCCC(=O)CNCCO 34a_100016990907_200012276598 [0,2,0,0,0,0|0,0,1]=3 19377 B11R0.140 CCCCCC(=O)COCCBr 34a_100000211926_200012276598 [0,2,0,0,0,0|1,0,1]=4 19378 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [0,2,0,0,0,0|1,0,1]=4 19379 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [0,2,0,0,0,0|1,0,1]=4 19380 B11R0.140 CCCCCC(=O)COCCN 34a_100000210304_200012276598 [0,2,0,0,0,0|1,0,1]=4 19381 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [0,2,0,0,0,0|0,0,1]=3 19382 B11R0.140 CCCCCC(=O)CSCCC 1458a_100000217233_100000210326 [0,2,0,0,0,0|1,0,1]=4 19383 B11R0.140 CCCCCC(=O)CSCCC 62a_100000210303_200012276598 [0,2,0,0,0,0|1,0,1]=4 19384 B11R0.140 CCCCCC(=O)CSCCC 62a_200012276598_100000210303 [0,2,0,0,0,0|1,0,1]=4 19385 B11R0.140 CCCCCC(=O)CSCCF 62a_100011217306_200012276598 [0,2,0,0,0,0|1,0,1]=4 19386 B11R0.140 CCCCCC(=O)CSCCF 62a_200012276598_100011217306 [0,2,0,0,0,0|1,0,1]=4 19387 B11R0.140 CCCCCC(=O)CSCCO 62a_100000211926_200012276598 [0,2,0,0,0,0|0,0,1]=3 19388 B11R0.140 CCCCCC(=O)CSCCO 62a_200012276598_100000211926 [0,2,0,0,0,0|0,0,1]=3 19389 B11R0.140 CCCCCC(=O)CSCOC 62a_100000766300_200012276598 [0,2,0,0,0,0|1,0,1]=4 19390 B11R0.140 CCCCCC(=O)CSCOC 62a_200012276598_100000766300 [0,2,0,0,0,0|1,0,1]=4 19391 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [0,2,0,0,0,0|1,0,1]=4 19392 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [0,2,0,0,0,0|1,0,1]=4 19393 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [0,2,0,0,0,0|1,0,1]=4 19394 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [0,2,0,0,0,0|1,0,1]=4 19395 B11R0.140 CCCCCC(=O)NCCCF 11a_100015189416_100000212188 [0,2,0,0,0,0|1,0,1]=4 19396 B11R0.140 CCCCCC(=O)NCCCF 1626a_100015189416_100000212188 [0,2,0,0,0,0|1,0,1]=4 19397 B11R0.140 CCCCCC(=O)NCCCF 240690a_100015189416_100000212188 [0,2,0,0,0,0|1,0,1]=4 19398 B11R0.140 CCCCCC(=O)NCCCF 527a_100015189416_100000212188 [0,2,0,0,0,0|1,0,1]=4 19399 B11R0.140 CCCCCC(=O)NCCCO 240690a_100000182051_100000212188 [0,2,0,0,0,0|0,0,1]=3 19400 B11R0.140 CCCCCC(=O)NCCCO 527a_100000182051_100000212188 [0,2,0,0,0,0|0,0,1]=3 19401 B11R0.140 CCCCCC(=O)NCCOC 1626a_100000209980_100000212188 [0,2,0,0,0,0|1,0,1]=4 19402 B11R0.140 CCCCCC(=O)NCCOC 240690a_100000209980_100000212188 [0,2,0,0,0,0|1,0,1]=4 19403 B11R0.140 CCCCCC(=O)NCCOC 527a_100000209980_100000212188 [0,2,0,0,0,0|1,0,1]=4 19404 B11R0.140 CCCCCC(=O)NNCCO 22a_100000210001_100000212188 [0,2,0,0,0,0|1,0,1]=4 19405 B11R0.140 CCCCCC(C)NCCC#N 2230a_100000211957_100011215226 [0,2,0,0,0,0|1,0,1]=4 19406 B11R0.140 CCCCCC(C)NCCC#N 270004a_100000720768_100000211708 [0,2,0,0,0,0|1,0,1]=4 19407 B11R0.140 CCCCCC(C)NCCCC 2230a_100000102301_200011218191 [0,2,0,0,0,0|1,0,0]=3 19408 B11R0.140 CCCCCC(C)NCCCC 2230a_100000211957_100000210211 [0,2,0,0,0,0|1,0,0]=3 19409 B11R0.140 CCCCCC(C)NCCCC 270004a_100000102301_100000211708 [0,2,0,0,0,0|1,0,0]=3 19410 B11R0.140 CCCCCC(C)NCCCC 7a_106832991798_200011218191 [0,2,0,0,0,0|1,0,0]=3 19411 B11R0.140 CCCCCC(C)NCCCF 2230a_100000211957_100011934791 [0,2,0,0,0,0|1,0,0]=3 19412 B11R0.140 CCCCCC(C)NCCCF 2230a_100015189416_200011218191 [0,2,0,0,0,0|1,0,0]=3 19413 B11R0.140 CCCCCC(C)NCCCF 270004a_100015189416_100000211708 [0,2,0,0,0,0|1,0,0]=3 19414 B11R0.140 CCCCCC(C)NCCCF 34a_100015189416_200011218191 [0,2,0,0,0,0|1,0,0]=3 19415 B11R0.140 CCCCCC(C)NCCCO 2230a_100000211957_100000230001 [0,2,0,0,0,0|0,0,0]=2 19416 B11R0.140 CCCCCC(C)NCCCO 270004a_100000182051_100000211708 [0,2,0,0,0,0|0,0,0]=2 19417 B11R0.140 CCCCCC(C)NCCOC 2230a_100000209980_200011218191 [0,2,0,0,0,0|1,0,0]=3 19418 B11R0.140 CCCCCC(C)NCCOC 2230a_100000211957_100011201679 [0,2,0,0,0,0|1,0,0]=3 19419 B11R0.140 CCCCCC(C)NCCOC 270004a_100000209980_100000211708 [0,2,0,0,0,0|1,0,0]=3 19420 B11R0.140 CCCCCC(C)NCCSC 2230a_100000211957_100000751147 [0,2,0,0,0,0|1,1,0]=4 19421 B11R0.140 CCCCCC(C)NCCSC 2230a_100020590264_200011218191 [0,2,0,0,0,0|1,1,0]=4 19422 B11R0.140 CCCCCC(C)NCCSC 270004a_100020590264_100000211708 [0,2,0,0,0,0|1,1,0]=4 19423 B11R0.140 CCCCCC(C)OCCC#N 7a_100011215632_100000184422 [0,2,0,0,0,0|1,0,1]=4 19424 B11R0.140 CCCCCC(C)OCCCBr 34a_100011217188_200011218191 [0,2,0,0,0,0|1,0,0]=3 19425 B11R0.140 CCCCCC(C)OCCCC 34a_100000210227_200011218191 [0,2,0,0,0,0|1,0,0]=3 19426 B11R0.140 CCCCCC(C)OCCCC 34a_100011215632_100000210210 [0,2,0,0,0,0|1,0,0]=3 19427 B11R0.140 CCCCCC(C)OCCCC 7a_100000210227_200011218191 [0,2,0,0,0,0|1,0,0]=3 19428 B11R0.140 CCCCCC(C)OCCCC 7a_100011215632_100000210211 [0,2,0,0,0,0|1,0,0]=3 19429 B11R0.140 CCCCCC(C)OCCCCl 34a_100000230001_200011218191 [0,2,0,0,0,0|1,0,0]=3 19430 B11R0.140 CCCCCC(C)OCCCF 34a_100000759539_200011218191 [0,2,0,0,0,0|1,0,0]=3 19431 B11R0.140 CCCCCC(C)OCCCF 34a_100011215632_100011934791 [0,2,0,0,0,0|1,0,0]=3 19432 B11R0.140 CCCCCC(C)OCCCF 7a_100011215632_100011934791 [0,2,0,0,0,0|1,0,0]=3 19433 B11R0.140 CCCCCC(C)OCCCN 34a_100000182051_200011218191 [0,2,0,0,0,0|1,0,0]=3 19434 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [0,2,0,0,0,0|0,0,0]=2 19435 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [0,2,0,0,0,0|0,0,0]=2 19436 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [0,2,0,0,0,0|1,0,0]=3 19437 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [0,2,0,0,0,0|1,0,0]=3 19438 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [0,2,0,0,0,0|1,0,0]=3 19439 B11R0.140 CCCCCC(C)OCCON 34a_100000700252_200011218191 [0,2,0,0,0,0|1,0,0]=3 19440 B11R0.140 CCCCCC(C)OCCSC 34a_100000230434_200011218191 [0,2,0,0,0,0|1,1,0]=4 19441 B11R0.140 CCCCCC(C)OCCSC 34a_100011215632_100000212216 [0,2,0,0,0,0|1,1,0]=4 19442 B11R0.140 CCCCCC(C)OCCSC 7a_100000230434_200011218191 [0,2,0,0,0,0|1,1,0]=4 19443 B11R0.140 CCCCCC(C)OCCSC 7a_100011215632_100000212216 [0,2,0,0,0,0|1,1,0]=4 19444 B11R0.140 CCCCCC(C)SCCC#N 62a_100011215226_200011218191 [0,2,0,0,0,0|1,0,1]=4 19445 B11R0.140 CCCCCC(C)SCCC#N 62a_200011218191_100011215226 [0,2,0,0,0,0|1,0,1]=4 19446 B11R0.140 CCCCCC(C)SCCCC 62a_100000210211_200011218191 [0,2,0,0,0,0|1,0,0]=3 19447 B11R0.140 CCCCCC(C)SCCCC 62a_200011218191_100000210210 [0,2,0,0,0,0|1,0,0]=3 19448 B11R0.140 CCCCCC(C)SCCCF 62a_100011934791_200011218191 [0,2,0,0,0,0|1,0,0]=3 19449 B11R0.140 CCCCCC(C)SCCCF 62a_200011218191_100011934791 [0,2,0,0,0,0|1,0,0]=3 19450 B11R0.140 CCCCCC(C)SCCCO 62a_100011215043_200011218191 [0,2,0,0,0,0|0,0,0]=2 19451 B11R0.140 CCCCCC(C)SCCCO 62a_200011218191_100011215043 [0,2,0,0,0,0|0,0,0]=2 19452 B11R0.140 CCCCCC(C)SCCOC 62a_100000233755_200011218191 [0,2,0,0,0,0|1,0,0]=3 19453 B11R0.140 CCCCCC(C)SCCOC 62a_200011218191_100000233755 [0,2,0,0,0,0|1,0,0]=3 19454 B11R0.140 CCCCCC(C)SCCSC 62a_100000212216_200011218191 [0,2,0,0,0,0|1,1,0]=4 19455 B11R0.140 CCCCCC(C)SCCSC 62a_200011218191_100000751147 [0,2,0,0,0,0|1,1,0]=4 19456 B11R0.140 CCCCCC(C)SCOCC 62a_100000739092_200011218191 [0,2,0,0,0,0|2,0,0]=4 19457 B11R0.140 CCCCCC(C)SCOCC 62a_200011218191_100000739092 [0,2,0,0,0,0|2,0,0]=4 19458 B11R0.140 CCCCCN(C)CC#CCO 2230a_100000223495_200000047223 [0,2,0,0,0,0|0,0,2]=4 19459 B11R0.140 CCCCCN(C)CCCC#N 2230a_100000223495_100000687738 [0,2,0,0,0,0|1,0,1]=4 19460 B11R0.140 CCCCCN(C)CCCC#N 269982a_100000223495_100000687738 [0,2,0,0,0,0|1,0,1]=4 19461 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [0,2,0,0,0,0|0,0,2]=4 19462 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [0,2,0,0,0,0|0,0,2]=4 19463 B11R0.140 CCCCCN(C)CCCCC 2230a_100000210580_200000210301 [0,2,0,0,0,0|1,0,0]=3 19464 B11R0.140 CCCCCN(C)CCCCC 2230a_100000223495_100000210326 [0,2,0,0,0,0|1,0,0]=3 19465 B11R0.140 CCCCCN(C)CCCCC 269982a_100000210580_200000210301 [0,2,0,0,0,0|1,0,0]=3 19466 B11R0.140 CCCCCN(C)CCCCC 269982a_100000223495_100000210215 [0,2,0,0,0,0|1,0,0]=3 19467 B11R0.140 CCCCCN(C)CCCCF 2230a_100000223495_100000729493 [0,2,0,0,0,0|1,0,0]=3 19468 B11R0.140 CCCCCN(C)CCCCF 269982a_100000223495_100000729493 [0,2,0,0,0,0|1,0,0]=3 19469 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [0,2,0,0,0,0|0,0,0]=2 19470 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [0,2,0,0,0,0|0,0,0]=2 19471 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [0,2,0,0,0,0|0,0,0]=2 19472 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [0,2,0,0,0,0|0,0,0]=2 19473 B11R0.140 CCCCCN(C)CCCOC 2230a_100000223495_100000740836 [0,2,0,0,0,0|1,0,0]=3 19474 B11R0.140 CCCCCN(C)CCCOC 2230a_100000224831_100000210326 [0,2,0,0,0,0|1,0,0]=3 19475 B11R0.140 CCCCCN(C)CCCOC 269982a_100000223495_100000740836 [0,2,0,0,0,0|1,0,0]=3 19476 B11R0.140 CCCCCN(C)CCCOC 269982a_100000224831_100000210215 [0,2,0,0,0,0|1,0,0]=3 19477 B11R0.140 CCCCCN(C)CCOCC 2230a_100000223495_100011215890 [0,2,0,0,0,0|2,0,0]=4 19478 B11R0.140 CCCCCN(C)CCOCC 269982a_100000223495_100011215890 [0,2,0,0,0,0|2,0,0]=4 19479 B11R0.140 CCCCCN(C)CCSCC 2230a_100000223495_100000757381 [0,2,0,0,0,0|2,0,0]=4 19480 B11R0.140 CCCCCN(C)CCSCC 269982a_100000223495_100000757381 [0,2,0,0,0,0|2,0,0]=4 19481 B11R0.140 CCCCCN([13CH3])CCCCC 2230a_100000210580_200025704644 [0,2,0,0,0,0|1,0,0]=3 19482 B11R0.140 CCCCCN([13CH3])CCCCC 269982a_100000210580_200025704644 [0,2,0,0,0,0|1,0,0]=3 19483 B11R0.140 CCCCNC(=O)CCCCO 1626a_100000102301_100000695505 [0,2,0,0,0,0|0,0,1]=3 19484 B11R0.140 CCCCNC(=O)CCCOC 11a_100000102301_100000741012 [0,2,0,0,0,0|1,0,1]=4 19485 B11R0.140 CCCCNC(=O)CCCOC 1626a_100000102301_100000741012 [0,2,0,0,0,0|1,0,1]=4 19486 B11R0.140 CCCCNC(=O)CCCOC 240690a_100000102301_100000741012 [0,2,0,0,0,0|1,0,1]=4 19487 B11R0.140 CCCCNC(=O)CCCOC 527a_100000102301_100000741012 [0,2,0,0,0,0|1,0,1]=4 19488 B11R0.140 CCCCNC(=O)CNCCO 2230a_100016997473_100000182744 [0,2,0,0,0,0|1,0,1]=4 19489 B11R0.140 CCCCNC(=O)CNCCO 34a_100016990907_100000182744 [0,2,0,0,0,0|1,0,1]=4 19490 B11R0.140 CCCCNC(=O)COCCO 1626a_100000102301_100000708028 [0,2,0,0,0,0|1,0,1]=4 19491 B11R0.140 CCCCNC(=O)COCCO 240690a_100000102301_100000708028 [0,2,0,0,0,0|1,0,1]=4 19492 B11R0.140 CCCCNC(=O)CSCCO 62a_100000182744_100000211926 [0,2,0,0,0,0|1,0,1]=4 19493 B11R0.140 CCCCNC(=O)CSCCO 62a_100000211926_100000182744 [0,2,0,0,0,0|1,0,1]=4 19494 B11R0.140 CCCCNC(=O)NCCCO 2708a_100000102301_100000182051 [0,2,0,0,0,0|1,0,1]=4 19495 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000102301_100000182051 [0,2,0,0,0,0|1,0,1]=4 19496 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000182051_100000102301 [0,2,0,0,0,0|1,0,1]=4 19497 B11R0.140 CCCCNC(=O)NCCCO 512a_100000102301_100000182051 [0,2,0,0,0,0|1,0,1]=4 19498 B11R0.140 CCCCNC(C)CCCC#N 270004a_100000102301_200000032708 [0,2,0,0,0,0|1,0,1]=4 19499 B11R0.140 CCCCNC(C)CCCSC 270004a_100000102301_100011399439 [0,2,0,0,0,0|1,1,0]=4 19500 B11R0.140 CCCCNC(C)CCOCC 270004a_100000102301_200011216536 [0,2,0,0,0,0|2,0,0]=4 19501 B11R0.140 CCCCNC(C)CSCCC 270004a_100000102301_100011343953 [0,2,0,0,0,0|2,0,0]=4 19502 B11R0.140 CCCCOC(=O)CNCCO 2230a_100016997473_100000211628 [0,2,0,0,0,0|1,0,1]=4 19503 B11R0.140 CCCCOC(=O)CNCCO 34a_100016990907_100000211628 [0,2,0,0,0,0|1,0,1]=4 19504 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211628_100000211926 [0,2,0,0,0,0|1,0,1]=4 19505 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211926_100000211628 [0,2,0,0,0,0|1,0,1]=4 19506 B11R0.140 CCCCOC(C)CCCOC 34a_200011539412_100000210210 [0,2,0,0,0,0|1,0,0]=3 19507 B11R0.140 CCCCOC(C)CCCOC 7a_200011539412_100000210211 [0,2,0,0,0,0|1,0,0]=3 19508 B11R0.140 CCCOCC(=O)CCCCF 1458a_100000745993_100000729493 [0,2,0,0,0,0|1,0,1]=4 19509 B11R0.140 CCCOCC(=O)CCCCO 1458a_100000745993_100000210776 [0,2,0,0,0,0|0,0,1]=3 19510 B11R0.140 CCCOCC(=O)CCCOC 1458a_100000745993_100000740836 [0,2,0,0,0,0|1,0,1]=4 19511 B11R0.140 CCCOCC(=O)NCCCO 240690a_100000182051_100000745993 [0,2,0,0,0,0|1,0,1]=4 19512 B11R0.140 CCCOCC(=O)NCCCO 527a_100000182051_100000745993 [0,2,0,0,0,0|1,0,1]=4 19513 B11R0.140 CCCOC[C@@H](N)CCCCN 34a_100016993712_100000210303 [0,2,0,0,0,0|1,0,0]=3 19514 B11R0.140 CCCSCC(=O)CCCCF 1458a_100000217233_100000729493 [0,2,0,0,0,0|1,0,1]=4 19515 B11R0.140 CCCSCC(=O)CCCCO 1458a_100000217233_100000210776 [0,2,0,0,0,0|0,0,1]=3 19516 B11R0.140 CCCSCC(=O)CCCOC 1458a_100000217233_100000740836 [0,2,0,0,0,0|1,0,1]=4 19517 B11R0.140 CCCSCC(=O)NCCCO 240690a_100000182051_100000217233 [0,2,0,0,0,0|1,0,1]=4 19518 B11R0.140 CCCSCC(=O)NCCCO 527a_100000182051_100000217233 [0,2,0,0,0,0|1,0,1]=4 19519 B11R0.140 CCCSCC(C)NCCCF 270004a_100015189416_100011343953 [0,2,0,0,0,0|2,0,0]=4 19520 B11R0.140 CCCSCC(C)NCCCO 270004a_100000182051_100011343953 [0,2,0,0,0,0|1,0,0]=3 19521 B11R0.140 CCCSCC(C)NCCOC 270004a_100000209980_100011343953 [0,2,0,0,0,0|2,0,0]=4 19522 B11R0.140 CCOCCC(=O)CCCCF 1458a_100000749530_100000729493 [0,2,0,0,0,0|1,0,1]=4 19523 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000695505_100011215890 [0,2,0,0,0,0|0,0,1]=3 19524 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000749530_100000210776 [0,2,0,0,0,0|0,0,1]=3 19525 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000741012_100011215890 [0,2,0,0,0,0|1,0,1]=4 19526 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000749530_100000740836 [0,2,0,0,0,0|1,0,1]=4 19527 B11R0.140 CCOCCC(=O)COCCO 1458a_100000708028_100011215890 [0,2,0,0,0,0|1,0,1]=4 19528 B11R0.140 CCOCCC(=O)NCCCO 240690a_100000182051_100000749530 [0,2,0,0,0,0|1,0,1]=4 19529 B11R0.140 CCOCCC(=O)NCCCO 527a_100000182051_100000749530 [0,2,0,0,0,0|1,0,1]=4 19530 B11R0.140 CCOCCC(C)NCCCF 270004a_100015189416_200011216536 [0,2,0,0,0,0|2,0,0]=4 19531 B11R0.140 CCOCCC(C)NCCCO 270004a_100000182051_200011216536 [0,2,0,0,0,0|1,0,0]=3 19532 B11R0.140 CCOCCC(C)NCCOC 270004a_100000209980_200011216536 [0,2,0,0,0,0|2,0,0]=4 19533 B11R0.140 CCOCCN(C)CCCCO 2230a_100000717598_100011215890 [0,2,0,0,0,0|1,0,0]=3 19534 B11R0.140 CCOCCN(C)CCCCO 269982a_100000717598_100011215890 [0,2,0,0,0,0|1,0,0]=3 19535 B11R0.140 CCOCCN(C)CCCOC 2230a_100000224831_100011215890 [0,2,0,0,0,0|2,0,0]=4 19536 B11R0.140 CCOCCN(C)CCCOC 269982a_100000224831_100011215890 [0,2,0,0,0,0|2,0,0]=4 19537 B11R0.140 CCSCCC(=O)CCCCF 1458a_100000230768_100000729493 [0,2,0,0,0,0|1,0,1]=4 19538 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000230768_100000210776 [0,2,0,0,0,0|0,0,1]=3 19539 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000695505_100000757381 [0,2,0,0,0,0|0,0,1]=3 19540 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000230768_100000740836 [0,2,0,0,0,0|1,0,1]=4 19541 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000741012_100000757381 [0,2,0,0,0,0|1,0,1]=4 19542 B11R0.140 CCSCCC(=O)COCCO 1458a_100000708028_100000757381 [0,2,0,0,0,0|1,0,1]=4 19543 B11R0.140 CCSCCC(=O)NCCCO 240690a_100000182051_100000230768 [0,2,0,0,0,0|1,0,1]=4 19544 B11R0.140 CCSCCC(=O)NCCCO 527a_100000182051_100000230768 [0,2,0,0,0,0|1,0,1]=4 19545 B11R0.140 CCSCCN(C)CCCCO 2230a_100000717598_100000757381 [0,2,0,0,0,0|1,0,0]=3 19546 B11R0.140 CCSCCN(C)CCCCO 269982a_100000717598_100000757381 [0,2,0,0,0,0|1,0,0]=3 19547 B11R0.140 CCSCCN(C)CCCOC 2230a_100000224831_100000757381 [0,2,0,0,0,0|2,0,0]=4 19548 B11R0.140 CCSCCN(C)CCCOC 269982a_100000224831_100000757381 [0,2,0,0,0,0|2,0,0]=4 19549 B11R0.140 CN(CCCC#N)CCCCO 2230a_100000717598_100000687738 [0,2,0,0,0,0|1,0,1]=4 19550 B11R0.140 CN(CCCC#N)CCCCO 269982a_100000717598_100000687738 [0,2,0,0,0,0|1,0,1]=4 19551 B11R0.140 CN(CCCC=O)CCCCO 2230a_100000717598_200011292268 [0,2,0,0,0,0|1,0,1]=4 19552 B11R0.140 CN(CCCC=O)CCCCO 269982a_100000717598_200011292268 [0,2,0,0,0,0|1,0,1]=4 19553 B11R0.140 CN(CCCCO)CCCCF 2230a_100000717598_100000729493 [0,2,0,0,0,0|1,0,0]=3 19554 B11R0.140 CN(CCCCO)CCCCF 269982a_100000717598_100000729493 [0,2,0,0,0,0|1,0,0]=3 19555 B11R0.140 CN(CCCCO)CCCCO 2230a_100000717598_100000210776 [0,2,0,0,0,0|1,0,0]=3 19556 B11R0.140 CN(CCCCO)CCCCO 2230a_100012279056_200000210301 [0,2,0,0,0,0|1,0,0]=3 19557 B11R0.140 CN(CCCCO)CCCCO 269982a_100000717598_100000210776 [0,2,0,0,0,0|1,0,0]=3 19558 B11R0.140 CN(CCCCO)CCCCO 34a_100012279056_200000210301 [0,2,0,0,0,0|1,0,0]=3 19559 B11R0.140 COCCCC(=O)CCCCF 1458a_100000741012_100000729493 [0,2,0,0,0,0|1,0,1]=4 19560 B11R0.140 COCCCC(=O)CCCCO 1458a_100000695505_100000740836 [0,2,0,0,0,0|0,0,1]=3 19561 B11R0.140 COCCCC(=O)CCCCO 1458a_100000741012_100000210776 [0,2,0,0,0,0|0,0,1]=3 19562 B11R0.140 COCCCC(=O)CCCOC 1458a_100000741012_100000740836 [0,2,0,0,0,0|1,0,1]=4 19563 B11R0.140 COCCCC(=O)CCCSC 1458a_100000173376_100000740836 [0,2,0,0,0,0|1,0,1]=4 19564 B11R0.140 COCCCC(=O)COCCO 1458a_100000708028_100000740836 [0,2,0,0,0,0|1,0,1]=4 19565 B11R0.140 COCCCC(=O)NCCCO 240690a_100000182051_100000741012 [0,2,0,0,0,0|1,0,1]=4 19566 B11R0.140 COCCCC(=O)NCCCO 527a_100000182051_100000741012 [0,2,0,0,0,0|1,0,1]=4 19567 B11R0.140 COCCCC(C)OCCCF 34a_200011539412_100011934791 [0,2,0,0,0,0|2,0,0]=4 19568 B11R0.140 COCCCC(C)OCCCF 7a_200011539412_100011934791 [0,2,0,0,0,0|2,0,0]=4 19569 B11R0.140 COCCCC(C)OCCCO 34a_200011539412_100000230001 [0,2,0,0,0,0|1,0,0]=3 19570 B11R0.140 COCCCC(C)OCCCO 7a_200011539412_100011215043 [0,2,0,0,0,0|1,0,0]=3 19571 B11R0.140 COCCCC(C)OCCOC 34a_200011539412_100011201679 [0,2,0,0,0,0|2,0,0]=4 19572 B11R0.140 COCCCC(C)OCCOC 7a_200011539412_100000233755 [0,2,0,0,0,0|2,0,0]=4 19573 B11R0.140 COCCCC(C)OCCSC 34a_200011539412_100000212216 [0,2,0,0,0,0|2,0,0]=4 19574 B11R0.140 COCCCC(C)OCCSC 7a_200011539412_100000212216 [0,2,0,0,0,0|2,0,0]=4 19575 B11R0.140 COCCCN(C)CCCCF 2230a_100000224831_100000729493 [0,2,0,0,0,0|2,0,0]=4 19576 B11R0.140 COCCCN(C)CCCCF 269982a_100000224831_100000729493 [0,2,0,0,0,0|2,0,0]=4 19577 B11R0.140 COCCCN(C)CCCCO 2230a_100000224831_100000210776 [0,2,0,0,0,0|1,0,0]=3 19578 B11R0.140 COCCCN(C)CCCCO 2230a_100000717598_100000740836 [0,2,0,0,0,0|1,0,0]=3 19579 B11R0.140 COCCCN(C)CCCCO 269982a_100000224831_100000210776 [0,2,0,0,0,0|1,0,0]=3 19580 B11R0.140 COCCCN(C)CCCCO 269982a_100000717598_100000740836 [0,2,0,0,0,0|1,0,0]=3 19581 B11R0.140 COCCCN(C)CCCOC 2230a_100000224831_100000740836 [0,2,0,0,0,0|2,0,0]=4 19582 B11R0.140 COCCCN(C)CCCOC 269982a_100000224831_100000740836 [0,2,0,0,0,0|2,0,0]=4 19583 B11R0.140 COCCNC(=O)CCCCO 1626a_100000209980_100000695505 [0,2,0,0,0,0|1,0,1]=4 19584 B11R0.140 COCCNC(C)CCCSC 270004a_100000209980_100011399439 [0,2,0,0,0,0|2,0,0]=4 19585 B11R0.140 CSCCCC(=O)CCCCF 1458a_100000173376_100000729493 [0,2,0,0,0,0|1,0,1]=4 19586 B11R0.140 CSCCCC(=O)CCCCO 1458a_100000173376_100000210776 [0,2,0,0,0,0|0,0,1]=3 19587 B11R0.140 CSCCCC(=O)NCCCO 240690a_100000182051_100000173376 [0,2,0,0,0,0|1,0,1]=4 19588 B11R0.140 CSCCCC(=O)NCCCO 527a_100000182051_100000173376 [0,2,0,0,0,0|1,0,1]=4 19589 B11R0.140 CSCCCC(C)NCCCF 270004a_100015189416_100011399439 [0,2,0,0,0,0|2,0,0]=4 19590 B11R0.140 CSCCCC(C)NCCCO 270004a_100000182051_100011399439 [0,2,0,0,0,0|1,0,0]=3 19591 B11R0.140 CSCCNC(=O)CCCCO 1626a_100020590264_100000695505 [0,2,0,0,0,0|1,0,1]=4 19592 B11R0.140 CSCOC[C@@H](N)CCCCN 34a_100016993712_100011218213 [0,2,0,0,0,0|2,0,0]=4 19593 B11R0.140 N#CCCCC(=O)CCCCO 1458a_100000075515_100000210776 [0,2,0,0,0,0|0,0,2]=4 19594 B11R0.140 N#CCCCC(=O)CCCCO 1458a_100000695505_100000211468 [0,2,0,0,0,0|0,0,2]=4 19595 B11R0.140 NCCCC[C@H](N)COCCF 34a_100016993712_100011217306 [0,2,0,0,0,0|2,0,0]=4 19596 B11R0.140 NCCCC[C@H](N)COCCO 34a_100016993712_100000211926 [0,2,0,0,0,0|1,0,0]=3 19597 B11R0.140 O=C(CCCCF)COCCO 1458a_100000708028_100000729493 [0,2,0,0,0,0|1,0,1]=4 19598 B11R0.140 O=C(CCCCO)CCCCF 1458a_100000695505_100000729493 [0,2,0,0,0,0|0,0,1]=3 19599 B11R0.140 O=C(CCCCO)CCCCO 1458a_100000695505_100000210776 [0,2,0,0,0,0|0,0,1]=3 19600 B11R0.140 O=C(CCCCO)COCCO 1458a_100000708028_100000210776 [0,2,0,0,0,0|1,0,1]=4 19601 B11R0.140 O=C(CCCCO)NCCCF 1626a_100015189416_100000695505 [0,2,0,0,0,0|1,0,1]=4 19602 B11R0.140 [13CH3]N(CCCCO)CCCCO 2230a_100012279056_200025704644 [0,2,0,0,0,0|1,0,0]=3 19603 B11R0.140 [13CH3]N(CCCCO)CCCCO 34a_100012279056_200025704644 [0,2,0,0,0,0|1,0,0]=3 19604 B11R0.49 CC(C)(CCl)COCCCCO 7a_100011217199_100000210776 [0,2,0,0,0,0|2,0,0]=4 19605 B11R0.49 CC(C)(CCl)OCCCCCO 7a_100000764493_100000746330 [0,2,0,0,0,0|2,0,0]=4 19606 B11R0.49 CC(C)(CO)CCCNCCF 2230a_100000039164_100011217306 [0,2,0,0,0,0|2,0,0]=4 19607 B11R0.49 CC(C)(CO)CCCNCCO 2230a_100000039164_100000211926 [0,2,0,0,0,0|2,0,0]=4 19608 B11R0.49 CC(C)(CO)CNCCCCF 2230a_100020635058_100000729493 [0,2,0,0,0,0|2,0,0]=4 19609 B11R0.49 CC(C)(CO)CNCCCCO 2230a_100020635058_100000210776 [0,2,0,0,0,0|2,0,0]=4 19610 B11R0.49 CC(C)(CO)CNCCCCO 34a_100000750430_100009813988 [0,2,0,0,0,0|2,0,0]=4 19611 B11R0.49 CC(C)(CO)COCCCCBr 34a_100011216708_100009813988 [0,2,0,0,0,0|2,0,0]=4 19612 B11R0.49 CC(C)(CO)COCCCCCl 34a_100000210776_100009813988 [0,2,0,0,0,0|2,0,0]=4 19613 B11R0.49 CC(C)(CO)COCCCCCl 7a_100000210776_100009813988 [0,2,0,0,0,0|2,0,0]=4 19614 B11R0.49 CC(C)(CO)COCCCCF 34a_100011995726_100009813988 [0,2,0,0,0,0|2,0,0]=4 19615 B11R0.49 CC(C)(CO)COCCCCF 7a_100011995726_100009813988 [0,2,0,0,0,0|2,0,0]=4 19616 B11R0.49 CC(C)(CO)COCCCCI 34a_200012148704_100009813988 [0,2,0,0,0,0|2,0,0]=4 19617 B11R0.49 CC(C)(CO)COCCCCN 34a_100000750430_100009813988 [0,2,0,0,0,0|2,0,0]=4 19618 B11R0.49 CC(C)(CO)CSCCCCF 62a_100000729493_100009813988 [0,2,0,0,0,0|2,0,0]=4 19619 B11R0.49 CC(C)(CO)CSCCCCF 62a_100009813988_100000729493 [0,2,0,0,0,0|2,0,0]=4 19620 B11R0.49 CC(C)(CO)CSCCCCO 62a_100000210776_100009813988 [0,2,0,0,0,0|2,0,0]=4 19621 B11R0.49 CC(C)(CO)CSCCCCO 62a_100009813988_100000210776 [0,2,0,0,0,0|2,0,0]=4 19622 B11R0.49 CC(C)(CO)NCCCCCF 2230a_100000210608_100000729378 [0,2,0,0,0,0|2,0,0]=4 19623 B11R0.49 CC(C)(CO)NCCCCCO 2230a_100000210608_100000746330 [0,2,0,0,0,0|2,0,0]=4 19624 B11R0.49 CCC(C)(C)COCCCCF 7a_100000765029_100000729493 [0,2,0,0,0,0|2,0,0]=4 19625 B11R0.49 CCC(C)(C)COCCCCO 7a_100000765029_100000210776 [0,2,0,0,0,0|1,0,0]=3 19626 B11R0.49 CCC(C)(C)NCCCCCF 2230a_100000211385_100000729378 [0,2,0,0,0,0|2,0,0]=4 19627 B11R0.49 CCC(C)(C)NCCCCCO 2230a_100000211385_100000746330 [0,2,0,0,0,0|1,0,0]=3 19628 B11R0.49 CCC(C)(C)NCCOCCO 2230a_100000211385_100011215305 [0,2,0,0,0,0|2,0,0]=4 19629 B11R0.49 CCC(C)(C)OCCCCCBr 7a_100000746331_100000210677 [0,2,0,0,0,0|2,0,0]=4 19630 B11R0.49 CCC(C)(C)OCCCCCCl 7a_100000746330_100000210677 [0,2,0,0,0,0|2,0,0]=4 19631 B11R0.49 CCC(C)(C)OCCCCCF 7a_100000210230_100000729378 [0,2,0,0,0,0|2,0,0]=4 19632 B11R0.49 CCC(C)(C)OCCCCCI 7a_200012148887_100000210677 [0,2,0,0,0,0|2,0,0]=4 19633 B11R0.49 CCC(C)(C)OCCCCCO 7a_100000210230_100000746330 [0,2,0,0,0,0|1,0,0]=3 19634 B11R0.49 CCC(C)(C)OCCOCCO 7a_100000210230_100011215305 [0,2,0,0,0,0|2,0,0]=4 19635 B11R0.49 CCC(C)(C)SCCCCCF 62a_100000032637_100000729378 [0,2,0,0,0,0|2,0,0]=4 19636 B11R0.49 CCC(C)(C)SCCCCCF 62a_100000729378_100000032637 [0,2,0,0,0,0|2,0,0]=4 19637 B11R0.49 CCC(C)(C)SCCCCCO 62a_100000032637_100000746330 [0,2,0,0,0,0|1,0,0]=3 19638 B11R0.49 CCC(C)(C)SCCCCCO 62a_100000746330_100000032637 [0,2,0,0,0,0|1,0,0]=3 19639 B11R0.49 CCC(C)(C)SCCOCCO 62a_100000032637_100011215305 [0,2,0,0,0,0|2,0,0]=4 19640 B11R0.49 CCC(C)(C)SCCOCCO 62a_100011215305_100000032637 [0,2,0,0,0,0|2,0,0]=4 19641 B11R0.49 CCCCCCCC(C)(C)NC 34a_100102657272_200000046972 [0,2,0,0,0,0|2,0,0]=4 19642 B11R0.49 CCCCCCCC(C)(C)NC 7a_106832991635_200000046972 [0,2,0,0,0,0|2,0,0]=4 19643 B11R0.49 CCCCCCCC(C)(C)OC 34a_100138415774_200000046972 [0,2,0,0,0,0|2,0,0]=4 19644 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000046972_200000210301 [0,2,0,0,0,0|2,0,0]=4 19645 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000210301_200000046972 [0,2,0,0,0,0|2,0,0]=4 19646 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200000046972_200025704644 [0,2,0,0,0,0|2,0,0]=4 19647 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200025704644_200000046972 [0,2,0,0,0,0|2,0,0]=4 19648 B11R0.49 CCCCCCNC(C)(C)CC 2230a_100000211385_100000210314 [0,2,0,0,0,0|2,0,0]=4 19649 B11R0.49 CCCCCCNC(C)(C)CO 2230a_100000210608_100000210314 [0,2,0,0,0,0|1,0,0]=3 19650 B11R0.49 CCCCCCOC(C)(C)CC 7a_100000210230_100000210314 [0,2,0,0,0,0|2,0,0]=4 19651 B11R0.49 CCCCCCOC(C)(C)CC 7a_100000210259_100000210677 [0,2,0,0,0,0|2,0,0]=4 19652 B11R0.49 CCCCCCOC(C)(C)CCl 7a_100000764493_100000210314 [0,2,0,0,0,0|2,0,0]=4 19653 B11R0.49 CCCCCCSC(C)(C)CC 62a_100000032637_100000210757 [0,2,0,0,0,0|2,0,0]=4 19654 B11R0.49 CCCCCCSC(C)(C)CC 62a_100000210314_100000032637 [0,2,0,0,0,0|2,0,0]=4 19655 B11R0.49 CCCCCCSC(F)(F)CO 62a_100000210314_100011217949 [0,2,0,0,0,0|1,0,0]=3 19656 B11R0.49 CCCCCCSC(F)(F)CO 62a_100011217949_100000210757 [0,2,0,0,0,0|1,0,0]=3 19657 B11R0.49 CCCCCNCC(C)(C)CO 2230a_100020635058_100000210326 [0,2,0,0,0,0|1,0,0]=3 19658 B11R0.49 CCCCCOCC(C)(C)CC 7a_100000765029_100000210326 [0,2,0,0,0,0|2,0,0]=4 19659 B11R0.49 CCCCCOCC(C)(C)CCl 7a_100011217199_100000210326 [0,2,0,0,0,0|2,0,0]=4 19660 B11R0.49 CCCCCOCC(C)(C)CO 34a_100000210253_100009813988 [0,2,0,0,0,0|1,0,0]=3 19661 B11R0.49 CCCCCOCC(C)(C)CO 7a_100000210253_100009813988 [0,2,0,0,0,0|1,0,0]=3 19662 B11R0.49 CCCCCOCC(F)(F)CN 34a_100000703232_100000718602 [0,2,0,0,0,0|2,0,0]=4 19663 B11R0.49 CCCCCSCC(C)(C)CO 62a_100000210326_100009813988 [0,2,0,0,0,0|1,0,0]=3 19664 B11R0.49 CCCCCSCC(C)(C)CO 62a_100009813988_100000210326 [0,2,0,0,0,0|1,0,0]=3 19665 B11R0.49 CCCCOCNC(C)(C)CO 2230a_100000210608_100011995733 [0,2,0,0,0,0|2,0,0]=4 19666 B11R0.49 CCCCOCSC(F)(F)CO 62a_100011217949_100011995733 [0,2,0,0,0,0|2,0,0]=4 19667 B11R0.49 CCCCOCSC(F)(F)CO 62a_100011995733_100011217949 [0,2,0,0,0,0|2,0,0]=4 19668 B11R0.49 CCCNCCCC(C)(C)CO 2230a_100000039164_100000210303 [0,2,0,0,0,0|1,0,0]=3 19669 B11R0.49 CCCOCCNC(C)(C)CO 2230a_100000210608_100011215938 [0,2,0,0,0,0|2,0,0]=4 19670 B11R0.49 CCCOCCSC(F)(F)CO 62a_100011215938_100011217949 [0,2,0,0,0,0|2,0,0]=4 19671 B11R0.49 CCCOCCSC(F)(F)CO 62a_100011217949_100011215938 [0,2,0,0,0,0|2,0,0]=4 19672 B11R0.49 CCOCCCNC(C)(C)CO 2230a_100000210608_100012232248 [0,2,0,0,0,0|2,0,0]=4 19673 B11R0.49 CCOCCCSC(F)(F)CO 62a_100011217949_100012232248 [0,2,0,0,0,0|2,0,0]=4 19674 B11R0.49 CCOCCCSC(F)(F)CO 62a_100012232248_100011217949 [0,2,0,0,0,0|2,0,0]=4 19675 B11R0.49 CCOCCNCC(C)(C)CO 2230a_100020635058_100011215890 [0,2,0,0,0,0|2,0,0]=4 19676 B11R0.49 CCOCCNCC(C)(C)CO 34a_102516460346_100009813988 [0,2,0,0,0,0|2,0,0]=4 19677 B11R0.49 CCOCCOCC(C)(C)CO 34a_100000210136_100009813988 [0,2,0,0,0,0|2,0,0]=4 19678 B11R0.49 CCOCCOCC(C)(C)CO 7a_100000210136_100009813988 [0,2,0,0,0,0|2,0,0]=4 19679 B11R0.49 CCOCCSCC(C)(C)CO 62a_100000210147_100009813988 [0,2,0,0,0,0|2,0,0]=4 19680 B11R0.49 CCOCCSCC(C)(C)CO 62a_100009813988_100011215890 [0,2,0,0,0,0|2,0,0]=4 19681 B11R0.49 CCS(=O)(=O)CCNCCCO 2230a_100000751051_100000230001 [0,2,0,0,0,0|2,0,0]=4 19682 B11R0.49 CCS(=O)(=O)CCNCCCO 34a_100000751051_100000230001 [0,2,0,0,0,0|2,0,0]=4 19683 B11R0.49 CCS(=O)(=O)CCOCCCO 34a_200011216379_100000230001 [0,2,0,0,0,0|2,0,0]=4 19684 B11R0.49 CCS(=O)(=O)CCOCCCO 7a_200011216379_100011215043 [0,2,0,0,0,0|2,0,0]=4 19685 B11R0.49 CCS(=O)(=O)CCSCCCO 62a_100000756660_100011215043 [0,2,0,0,0,0|2,0,0]=4 19686 B11R0.49 CCS(=O)(=O)CCSCCCO 62a_100011215043_100000756660 [0,2,0,0,0,0|2,0,0]=4 19687 B11R0.49 CCS(=O)(=O)NCCCCCO 270084a_100000762737_100000211323 [0,2,0,0,0,0|2,0,0]=4 19688 B11R0.49 CCS(=O)(=O)NCCCCCO 274078a_100000762737_100000211323 [0,2,0,0,0,0|2,0,0]=4 19689 B11R0.49 CCS(=O)(=O)NCCCCCO 40a_100000762737_100000053943 [0,2,0,0,0,0|2,0,0]=4 19690 B11R0.49 CCSCCNCC(C)(C)CO 2230a_100020635058_100000757381 [0,2,0,0,0,0|2,0,0]=4 19691 B11R0.49 CCSCCOCC(C)(C)CO 34a_100000212035_100009813988 [0,2,0,0,0,0|2,0,0]=4 19692 B11R0.49 CCSCCOCC(C)(C)CO 7a_100000212035_100009813988 [0,2,0,0,0,0|2,0,0]=4 19693 B11R0.49 CCSCCSCC(C)(C)CO 62a_100000757381_100009813988 [0,2,0,0,0,0|2,0,0]=4 19694 B11R0.49 CCSCCSCC(C)(C)CO 62a_100009813988_100000757381 [0,2,0,0,0,0|2,0,0]=4 19695 B11R0.49 CNCCCOCC(C)(C)CO 34a_100000213112_100009813988 [0,2,0,0,0,0|2,0,0]=4 19696 B11R0.49 COC(C)(C)CCOCCCO 7a_100000699976_100011215043 [0,2,0,0,0,0|2,0,0]=4 19697 B11R0.49 COC(C)(C)CNCCCCO 2230a_100000763424_100000210776 [0,2,0,0,0,0|2,0,0]=4 19698 B11R0.49 COC(C)(C)CNCCCCO 34a_100000750430_100000701081 [0,2,0,0,0,0|2,0,0]=4 19699 B11R0.49 COC(C)(C)CSCCCCO 62a_100000210776_100000701081 [0,2,0,0,0,0|2,0,0]=4 19700 B11R0.49 COC(C)(C)CSCCCCO 62a_100000701081_100000210776 [0,2,0,0,0,0|2,0,0]=4 19701 B11R0.49 COCCCCNC(C)(C)CO 2230a_100000210608_100000730899 [0,2,0,0,0,0|2,0,0]=4 19702 B11R0.49 COCCCCSC(F)(F)CO 62a_100000730899_100011217949 [0,2,0,0,0,0|2,0,0]=4 19703 B11R0.49 COCCCCSC(F)(F)CO 62a_100011217949_100000730899 [0,2,0,0,0,0|2,0,0]=4 19704 B11R0.49 COCCCNCC(C)(C)CO 2230a_100020635058_100000740836 [0,2,0,0,0,0|2,0,0]=4 19705 B11R0.49 COCCCNCC(C)(C)CO 34a_100150723488_100009813988 [0,2,0,0,0,0|2,0,0]=4 19706 B11R0.49 COCCCOCC(C)(C)CO 34a_100000740835_100009813988 [0,2,0,0,0,0|2,0,0]=4 19707 B11R0.49 COCCCSCC(C)(C)CO 62a_100000709357_100009813988 [0,2,0,0,0,0|2,0,0]=4 19708 B11R0.49 COCCCSCC(C)(C)CO 62a_100009813988_100000709357 [0,2,0,0,0,0|2,0,0]=4 19709 B11R0.49 COCNCCCC(C)(C)CO 2230a_100000039164_100000766300 [0,2,0,0,0,0|2,0,0]=4 19710 B11R0.49 CSC(C)(C)CNCCCCO 270004a_100000750430_100009845794 [0,2,0,0,0,0|2,0,0]=4 19711 B11R0.49 CSCCCOCC(C)(C)CO 34a_100000690336_100009813988 [0,2,0,0,0,0|2,0,0]=4 19712 B11R0.49 CSCCCOCC(C)(C)CO 7a_100000690336_100009813988 [0,2,0,0,0,0|2,0,0]=4 19713 B11R0.49 CSCNCCCC(C)(C)CO 2230a_100000039164_100011218213 [0,2,0,0,0,0|2,0,0]=4 19714 B11R0.49 NCC(F)(F)COCCCCO 34a_100000703232_100011216708 [0,2,0,0,0,0|2,0,0]=4 19715 B11R0.49 OCC(F)(F)SCCCCCF 62a_100000729378_100011217949 [0,2,0,0,0,0|2,0,0]=4 19716 B11R0.49 OCC(F)(F)SCCCCCF 62a_100011217949_100000729378 [0,2,0,0,0,0|2,0,0]=4 19717 B11R0.49 OCCCCCSC(F)(F)CO 62a_100000746330_100011217949 [0,2,0,0,0,0|2,0,0]=4 19718 B11R0.49 OCCCCCSC(F)(F)CO 62a_100011217949_100000746330 [0,2,0,0,0,0|2,0,0]=4 19719 B11R0.70 CC(CCCCl)OCC(O)CO 34a_200000718107_100011219619 [0,2,0,0,0,0|2,0,0]=4 19720 B11R0.70 CC(CCCCl)OCC(O)CO 7a_200000718107_100011219619 [0,2,0,0,0,0|2,0,0]=4 19721 B11R0.70 CC(CCCCl)OC[C@@H](C)CO 34a_200000718107_100000059175 [0,2,0,0,0,0|2,0,0]=4 19722 B11R0.70 CC(CCCCl)OC[C@@H](C)CO 7a_200000718107_100000059175 [0,2,0,0,0,0|2,0,0]=4 19723 B11R0.70 CC(CCCCl)OC[C@@H](O)CO 34a_200000718107_100009815848 [0,2,0,0,0,0|2,0,0]=4 19724 B11R0.70 CC(CCCCl)OC[C@@H](O)CO 7a_200000718107_100009815848 [0,2,0,0,0,0|2,0,0]=4 19725 B11R0.70 CC(CO)NC[C@H](C)CCCO 2230a_100160569302_100012180447 [0,2,0,0,0,0|2,0,0]=4 19726 B11R0.70 CC(CO)NC[C@H](C)CCCO 34a_100160569302_100012180447 [0,2,0,0,0,0|2,0,0]=4 19727 B11R0.70 CCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210414 [0,2,0,0,0,0|1,0,1]=4 19728 B11R0.70 CCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000210414 [0,2,0,0,0,0|1,0,1]=4 19729 B11R0.70 CCC(C)CCC(=O)CCCF 1458a_100000701222_100011934791 [0,2,0,0,0,0|1,0,1]=4 19730 B11R0.70 CCC(C)CCC(=O)CCCO 1458a_100000701222_100011215043 [0,2,0,0,0,0|0,0,1]=3 19731 B11R0.70 CCC(C)CCC(=O)NCCO 240690a_100000210304_100000701222 [0,2,0,0,0,0|1,0,1]=4 19732 B11R0.70 CCC(C)CCC(=O)NCCO 527a_100000210304_100000701222 [0,2,0,0,0,0|1,0,1]=4 19733 B11R0.70 CCC(C)CCC(C)OCCF 7a_200011216552_100011217306 [0,2,0,0,0,0|2,0,0]=4 19734 B11R0.70 CCC(C)CCC(C)OCCO 7a_200011216552_100000211926 [0,2,0,0,0,0|1,0,0]=3 19735 B11R0.70 CCC(C)COC(C)CCCCl 34a_200000718107_100000748023 [0,2,0,0,0,0|2,0,0]=4 19736 B11R0.70 CCC(C)COC(C)CCCCl 7a_200000718107_100000748023 [0,2,0,0,0,0|2,0,0]=4 19737 B11R0.70 CCC(C)NC[C@H](C)CCCO 2230a_100160569302_100000758301 [0,2,0,0,0,0|1,0,0]=3 19738 B11R0.70 CCC(C)NC[C@H](C)CCCO 34a_100160569302_100011215416 [0,2,0,0,0,0|1,0,0]=3 19739 B11R0.70 CCC(O)CCC(=O)NCCO 240690a_100000210304_203496584001 [0,2,0,0,0,0|1,0,1]=4 19740 B11R0.70 CCC(O)COC(C)CCCCl 34a_200000718107_100011218378 [0,2,0,0,0,0|2,0,0]=4 19741 B11R0.70 CCC(O)COC(C)CCCCl 7a_200000718107_100011218378 [0,2,0,0,0,0|2,0,0]=4 19742 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [0,2,0,0,0,0|1,0,1]=4 19743 B11R0.70 CCCCC(=O)NCC(C)CO 240690a_100000744482_100000210183 [0,2,0,0,0,0|1,0,1]=4 19744 B11R0.70 CCCCC(=O)NCC(C)CO 527a_100000744482_100000210183 [0,2,0,0,0,0|1,0,1]=4 19745 B11R0.70 CCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210183 [0,2,0,0,0,0|1,0,1]=4 19746 B11R0.70 CCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210183 [0,2,0,0,0,0|1,0,1]=4 19747 B11R0.70 CCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210183 [0,2,0,0,0,0|1,0,1]=4 19748 B11R0.70 CCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000210183 [0,2,0,0,0,0|1,0,1]=4 19749 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,2,0,0,0,0|1,0,1]=4 19750 B11R0.70 CCCCC(C)CCC(=O)CF 1458a_100000033779_100015361967 [0,2,0,0,0,0|1,0,1]=4 19751 B11R0.70 CCCCC(C)COC(C)CC 34a_100011995851_100011215416 [0,2,0,0,0,0|2,0,0]=4 19752 B11R0.70 CCCCC(C)COC(C)CC 7a_100011995851_100000758301 [0,2,0,0,0,0|2,0,0]=4 19753 B11R0.70 CCCCC(C)COC(C)CO 34a_100011995851_100012180447 [0,2,0,0,0,0|1,0,0]=3 19754 B11R0.70 CCCCC(C)COC(C)CO 7a_100011995851_100012180447 [0,2,0,0,0,0|1,0,0]=3 19755 B11R0.70 CCCCC(C)NCC(C)CC 2230a_100000126638_100000748023 [0,2,0,0,0,0|2,0,0]=4 19756 B11R0.70 CCCCC(C)NCC(C)CC 2230a_100020588543_200011215066 [0,2,0,0,0,0|2,0,0]=4 19757 B11R0.70 CCCCC(C)NCC(C)CC 270004a_100000126638_100000243153 [0,2,0,0,0,0|2,0,0]=4 19758 B11R0.70 CCCCC(C)NCC(C)CC 270004a_100020588543_100000210087 [0,2,0,0,0,0|2,0,0]=4 19759 B11R0.70 CCCCC(C)NCC(C)CO 34a_100000744482_200011215066 [0,2,0,0,0,0|1,0,0]=3 19760 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100000126638_100011218378 [0,2,0,0,0,0|2,0,0]=4 19761 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100011218483_200011215066 [0,2,0,0,0,0|2,0,0]=4 19762 B11R0.70 CCCCC(C)NCC(O)CC 270004a_100011218483_100000210087 [0,2,0,0,0,0|2,0,0]=4 19763 B11R0.70 CCCCC(C)NCC(O)CO 2230a_100000126638_100011219619 [0,2,0,0,0,0|1,0,0]=3 19764 B11R0.70 CCCCC(C)NC[C@@H](C)CC 2230a_100000126638_100009816398 [0,2,0,0,0,0|2,0,0]=4 19765 B11R0.70 CCCCC(C)NC[C@@H](C)CO 2230a_100000126638_100000059175 [0,2,0,0,0,0|1,0,0]=3 19766 B11R0.70 CCCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000210087 [0,2,0,0,0,0|1,0,0]=3 19767 B11R0.70 CCCCC(C)NC[C@@H](F)CO 34a_100015665980_200011215066 [0,2,0,0,0,0|1,0,0]=3 19768 B11R0.70 CCCCC(C)NC[C@@H](O)CF 2230a_100000126638_100015614560 [0,2,0,0,0,0|2,0,0]=4 19769 B11R0.70 CCCCC(C)NC[C@@H](O)CO 2230a_100000126638_100009815848 [0,2,0,0,0,0|1,0,0]=3 19770 B11R0.70 CCCCC(C)NC[C@H](O)CO 2230a_100020644852_200011215066 [0,2,0,0,0,0|1,0,0]=3 19771 B11R0.70 CCCCC(C)OCC(C)CC 34a_100000687866_100000748023 [0,2,0,0,0,0|2,0,0]=4 19772 B11R0.70 CCCCC(C)OCC(C)CC 7a_100000687866_100000748023 [0,2,0,0,0,0|2,0,0]=4 19773 B11R0.70 CCCCC(C)OCC(C)CN 34a_100000744482_200011215066 [0,2,0,0,0,0|2,0,0]=4 19774 B11R0.70 CCCCC(C)OCC(Cl)CCl 34a_100000033668_200011215066 [0,2,0,0,0,0|2,0,0]=4 19775 B11R0.70 CCCCC(C)OCC(O)CC 34a_100000687866_100011218378 [0,2,0,0,0,0|2,0,0]=4 19776 B11R0.70 CCCCC(C)OCC(O)CC 7a_100000687866_100011218378 [0,2,0,0,0,0|2,0,0]=4 19777 B11R0.70 CCCCC(C)OCC(O)CO 34a_100000687866_100011219619 [0,2,0,0,0,0|1,0,0]=3 19778 B11R0.70 CCCCC(C)OCC(O)CO 7a_100000687866_100011219619 [0,2,0,0,0,0|1,0,0]=3 19779 B11R0.70 CCCCC(C)OC[C@@H](C)CC 34a_100000687866_100009816398 [0,2,0,0,0,0|2,0,0]=4 19780 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100000687866_100009816398 [0,2,0,0,0,0|2,0,0]=4 19781 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011215066 [0,2,0,0,0,0|2,0,0]=4 19782 B11R0.70 CCCCC(C)OC[C@@H](C)CO 34a_100000687866_100000059175 [0,2,0,0,0,0|1,0,0]=3 19783 B11R0.70 CCCCC(C)OC[C@@H](C)CO 7a_100000687866_100000059175 [0,2,0,0,0,0|1,0,0]=3 19784 B11R0.70 CCCCC(C)OC[C@@H](O)CF 34a_100000687866_100015614560 [0,2,0,0,0,0|2,0,0]=4 19785 B11R0.70 CCCCC(C)OC[C@@H](O)CF 7a_100000687866_100015614560 [0,2,0,0,0,0|2,0,0]=4 19786 B11R0.70 CCCCC(C)OC[C@@H](O)CO 34a_100000687866_100009815848 [0,2,0,0,0,0|1,0,0]=3 19787 B11R0.70 CCCCC(C)OC[C@@H](O)CO 7a_100000687866_100009815848 [0,2,0,0,0,0|1,0,0]=3 19788 B11R0.70 CCCCC(C)OC[C@H](F)CN 34a_100015665980_200011215066 [0,2,0,0,0,0|2,0,0]=4 19789 B11R0.70 CCCCC(C)SCC(C)CC 62a_100000748023_200011215066 [0,2,0,0,0,0|2,0,0]=4 19790 B11R0.70 CCCCC(C)SCC(C)CC 62a_200011215066_100000748023 [0,2,0,0,0,0|2,0,0]=4 19791 B11R0.70 CCCCC(C)SCC(O)CC 62a_100011218378_200011215066 [0,2,0,0,0,0|2,0,0]=4 19792 B11R0.70 CCCCC(C)SCC(O)CC 62a_200011215066_100011218378 [0,2,0,0,0,0|2,0,0]=4 19793 B11R0.70 CCCCC(C)SCC(O)CO 62a_100011219619_200011215066 [0,2,0,0,0,0|1,0,0]=3 19794 B11R0.70 CCCCC(C)SCC(O)CO 62a_200011215066_100011219619 [0,2,0,0,0,0|1,0,0]=3 19795 B11R0.70 CCCCC(C)SC[C@@H](C)CC 62a_100009816398_200011215066 [0,2,0,0,0,0|2,0,0]=4 19796 B11R0.70 CCCCC(C)SC[C@@H](C)CC 62a_200011215066_100009816398 [0,2,0,0,0,0|2,0,0]=4 19797 B11R0.70 CCCCC(C)SC[C@@H](C)CO 62a_100000059175_200011215066 [0,2,0,0,0,0|1,0,0]=3 19798 B11R0.70 CCCCC(C)SC[C@@H](C)CO 62a_200011215066_100000059175 [0,2,0,0,0,0|1,0,0]=3 19799 B11R0.70 CCCCC(C)SC[C@@H](O)CF 62a_100015614560_200011215066 [0,2,0,0,0,0|2,0,0]=4 19800 B11R0.70 CCCCC(C)SC[C@@H](O)CF 62a_200011215066_100015614560 [0,2,0,0,0,0|2,0,0]=4 19801 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_100009815848_200011215066 [0,2,0,0,0,0|1,0,0]=3 19802 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_200011215066_100009815848 [0,2,0,0,0,0|1,0,0]=3 19803 B11R0.70 CCCC[C@H](N)COC(C)CC 34a_100011934283_100011215416 [0,2,0,0,0,0|2,0,0]=4 19804 B11R0.70 CCCC[C@H](N)COC(C)CO 34a_100011934283_100012180447 [0,2,0,0,0,0|1,0,0]=3 19805 B11R0.70 CCCOC(C)CCC(C)CC 7a_200011216552_100000210303 [0,2,0,0,0,0|2,0,0]=4 19806 B11R0.70 CCCOC(C)CNC(C)CO 2230a_100015185124_100012180447 [0,2,0,0,0,0|2,0,0]=4 19807 B11R0.70 CCCOC(C)CNC(C)CO 34a_100015185124_100012180447 [0,2,0,0,0,0|2,0,0]=4 19808 B11R0.70 CCN(C)CCC(=O)CCCO 1458a_100000755305_100011215043 [0,2,0,0,0,0|1,0,1]=4 19809 B11R0.70 CCOCC(C)OCC(O)CO 34a_100000718985_100011219619 [0,2,0,0,0,0|2,0,0]=4 19810 B11R0.70 CCOCC(C)OCC(O)CO 7a_100000718985_100011219619 [0,2,0,0,0,0|2,0,0]=4 19811 B11R0.70 CCOCC(C)OC[C@@H](C)CO 34a_100000718985_100000059175 [0,2,0,0,0,0|2,0,0]=4 19812 B11R0.70 CCOCC(C)OC[C@@H](C)CO 7a_100000718985_100000059175 [0,2,0,0,0,0|2,0,0]=4 19813 B11R0.70 CCOCC(C)OC[C@@H](O)CO 34a_100000718985_100009815848 [0,2,0,0,0,0|2,0,0]=4 19814 B11R0.70 CCOCC(C)OC[C@@H](O)CO 7a_100000718985_100009815848 [0,2,0,0,0,0|2,0,0]=4 19815 B11R0.70 CCOCC(O)CNC(C)CO 2230a_102515437182_100012180447 [0,2,0,0,0,0|2,0,0]=4 19816 B11R0.70 CCOCC(O)CNC(C)CO 34a_102515437182_100012180447 [0,2,0,0,0,0|2,0,0]=4 19817 B11R0.70 CCS(=O)CCC(=O)CCCO 1458a_100011387550_100011215043 [0,2,0,0,0,0|1,0,1]=4 19818 B11R0.70 CCSCC(C)NC[C@@H](F)CO 270004a_100015665980_200011216171 [0,2,0,0,0,0|2,0,0]=4 19819 B11R0.70 CC[C@H](C)COC(C)CCCCl 34a_200000718107_100009816398 [0,2,0,0,0,0|2,0,0]=4 19820 B11R0.70 CC[C@H](C)COC(C)CCCCl 7a_200000718107_100009816398 [0,2,0,0,0,0|2,0,0]=4 19821 B11R0.70 COCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000742357 [0,2,0,0,0,0|2,0,0]=4 19822 B11R0.70 CSCCC(C)NC[C@@H](F)CO 270004a_100015665980_100011217047 [0,2,0,0,0,0|2,0,0]=4 19823 B11R0.70 CSCC[C@H](N)COC(C)CO 34a_100011827619_100012180447 [0,2,0,0,0,0|2,0,0]=4 19824 B11R0.106 CC(CO)CCNCC(O)CO 2230a_106354213184_100011219619 [0,2,0,0,0,0|2,0,0]=4 19825 B11R0.106 CC(CO)CCNCC(O)CO 34a_106354213184_100011219619 [0,2,0,0,0,0|2,0,0]=4 19826 B11R0.106 CC(CO)CCNC[C@@H](C)CO 2230a_106354213184_100000059175 [0,2,0,0,0,0|2,0,0]=4 19827 B11R0.106 CC(CO)CCNC[C@@H](C)CO 34a_106354213184_100000059175 [0,2,0,0,0,0|2,0,0]=4 19828 B11R0.106 CC(CO)CCNC[C@@H](O)CF 2230a_106354213184_100015614560 [0,2,0,0,0,0|2,0,0]=4 19829 B11R0.106 CC(CO)CCNC[C@@H](O)CF 34a_106354213184_100015614560 [0,2,0,0,0,0|2,0,0]=4 19830 B11R0.106 CC(CO)CCNC[C@@H](O)CO 2230a_106354213184_100009815848 [0,2,0,0,0,0|2,0,0]=4 19831 B11R0.106 CC(CO)CCNC[C@@H](O)CO 34a_106354213184_100009815848 [0,2,0,0,0,0|2,0,0]=4 19832 B11R0.106 CC(CO)OCCC[C@@H](C)CN 34a_100160569302_100012180447 [0,2,0,0,0,0|2,0,0]=4 19833 B11R0.106 CCC(C)CCCOC(C)CC 7a_100011216074_100000758301 [0,2,0,0,0,0|2,0,0]=4 19834 B11R0.106 CCC(C)CCCOC(C)CO 7a_100011216074_100012180447 [0,2,0,0,0,0|1,0,0]=3 19835 B11R0.106 CCC(C)CCNCC(C)CC 2230a_100020591266_100000748023 [0,2,0,0,0,0|2,0,0]=4 19836 B11R0.106 CCC(C)CCNCC(C)CC 270004a_100020591266_100000243153 [0,2,0,0,0,0|2,0,0]=4 19837 B11R0.106 CCC(C)CCNCC(O)CC 2230a_100020591266_100011218378 [0,2,0,0,0,0|2,0,0]=4 19838 B11R0.106 CCC(C)CCNCC(O)CO 2230a_100020591266_100011219619 [0,2,0,0,0,0|1,0,0]=3 19839 B11R0.106 CCC(C)CCNC[C@@H](C)CC 2230a_100020591266_100009816398 [0,2,0,0,0,0|2,0,0]=4 19840 B11R0.106 CCC(C)CCNC[C@@H](C)CO 2230a_100020591266_100000059175 [0,2,0,0,0,0|1,0,0]=3 19841 B11R0.106 CCC(C)CCNC[C@@H](O)CF 2230a_100020591266_100015614560 [0,2,0,0,0,0|2,0,0]=4 19842 B11R0.106 CCC(C)CCNC[C@@H](O)CO 2230a_100020591266_100009815848 [0,2,0,0,0,0|1,0,0]=3 19843 B11R0.106 CCC(C)CCOCC(C)CC 7a_100011215188_100000748023 [0,2,0,0,0,0|2,0,0]=4 19844 B11R0.106 CCC(C)CCOCC(O)CC 7a_100011215188_100011218378 [0,2,0,0,0,0|2,0,0]=4 19845 B11R0.106 CCC(C)CCOCC(O)CO 7a_100011215188_100011219619 [0,2,0,0,0,0|1,0,0]=3 19846 B11R0.106 CCC(C)CCOC[C@@H](C)CC 7a_100011215188_100009816398 [0,2,0,0,0,0|2,0,0]=4 19847 B11R0.106 CCC(C)CCOC[C@@H](C)CO 7a_100011215188_100000059175 [0,2,0,0,0,0|1,0,0]=3 19848 B11R0.106 CCC(C)CCOC[C@@H](O)CF 7a_100011215188_100015614560 [0,2,0,0,0,0|2,0,0]=4 19849 B11R0.106 CCC(C)CCOC[C@@H](O)CO 7a_100011215188_100009815848 [0,2,0,0,0,0|1,0,0]=3 19850 B11R0.106 CCC(C)CNCCC(C)CO 2230a_106354213184_100000748023 [0,2,0,0,0,0|1,0,0]=3 19851 B11R0.106 CCC(C)CNCCC(C)CO 270004a_106354213184_100000243153 [0,2,0,0,0,0|1,0,0]=3 19852 B11R0.106 CCC(C)CNCCC(C)CO 34a_106354213184_100000748023 [0,2,0,0,0,0|1,0,0]=3 19853 B11R0.106 CCC(C)OCCC[C@@H](C)CN 34a_100160569302_100011215416 [0,2,0,0,0,0|2,0,0]=4 19854 B11R0.106 CCC(O)CNCCC(C)CO 2230a_106354213184_100011218378 [0,2,0,0,0,0|1,0,0]=3 19855 B11R0.106 CCC(O)CNCCC(C)CO 34a_106354213184_100011218378 [0,2,0,0,0,0|1,0,0]=3 19856 B11R0.106 CCN(C)CCCN[C@H](C)CO 2230a_100000737577_100015186262 [0,2,0,0,0,0|2,0,0]=4 19857 B11R0.106 CCN(C)CCCSC(C)CO 62a_100012180447_100015186262 [0,2,0,0,0,0|2,0,0]=4 19858 B11R0.106 CCN(C)CCCS[C@H](C)CO 62a_100016084084_100015186262 [0,2,0,0,0,0|2,0,0]=4 19859 B11R0.106 CC[C@H](C)CNCCC(C)CO 2230a_106354213184_100009816398 [0,2,0,0,0,0|1,0,0]=3 19860 B11R0.106 CC[C@H](C)CNCCC(C)CO 34a_106354213184_100009816398 [0,2,0,0,0,0|1,0,0]=3 19861 B11R0.106 COC(C)CCOCC(O)CO 7a_100000764861_100011219619 [0,2,0,0,0,0|2,0,0]=4 19862 B11R0.106 COC(C)CCOC[C@@H](C)CO 7a_100000764861_100000059175 [0,2,0,0,0,0|2,0,0]=4 19863 B11R0.106 COC(C)CCOC[C@@H](O)CO 7a_100000764861_100009815848 [0,2,0,0,0,0|2,0,0]=4 19864 B11R0.124 C#CC(CC)OCCCCCC 34a_100000758843_100000210314 [0,2,0,0,0,0|2,0,0]=4 19865 B11R0.124 C#CC(CC)OCCCCCC 7a_100000758843_100000210314 [0,2,0,0,0,0|2,0,0]=4 19866 B11R0.124 C#CC(CC)OCCCCCF 34a_100000758843_100000729378 [0,2,0,0,0,0|2,0,0]=4 19867 B11R0.124 C#CC(CC)OCCCCCF 7a_100000758843_100000729378 [0,2,0,0,0,0|2,0,0]=4 19868 B11R0.124 C#CC(CC)OCCCCCO 34a_100000758843_100000746330 [0,2,0,0,0,0|1,0,0]=3 19869 B11R0.124 C#CC(CC)OCCCCCO 7a_100000758843_100000746330 [0,2,0,0,0,0|1,0,0]=3 19870 B11R0.124 C#CC(CC)OCCOCCO 34a_100000758843_100000692535 [0,2,0,0,0,0|2,0,0]=4 19871 B11R0.124 C#CC(CC)OCCOCCO 7a_100000758843_100011215305 [0,2,0,0,0,0|2,0,0]=4 19872 B11R0.124 C=CC(CC)OCCCCCC 34a_100000766422_100000210314 [0,2,0,0,0,0|2,0,0]=4 19873 B11R0.124 C=CC(CC)OCCCCCC 7a_100000766422_100000210314 [0,2,0,0,0,0|2,0,0]=4 19874 B11R0.124 C=CC(CC)OCCCCCF 34a_100000766422_100000729378 [0,2,0,0,0,0|2,0,0]=4 19875 B11R0.124 C=CC(CC)OCCCCCF 7a_100000766422_100000729378 [0,2,0,0,0,0|2,0,0]=4 19876 B11R0.124 C=CC(CC)OCCCCCO 34a_100000766422_100000746330 [0,2,0,0,0,0|1,0,0]=3 19877 B11R0.124 C=CC(CC)OCCCCCO 7a_100000766422_100000746330 [0,2,0,0,0,0|1,0,0]=3 19878 B11R0.124 C=CC(CC)OCCOCCO 34a_100000766422_100000692535 [0,2,0,0,0,0|2,0,0]=4 19879 B11R0.124 C=CC(CC)OCCOCCO 7a_100000766422_100011215305 [0,2,0,0,0,0|2,0,0]=4 19880 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [0,2,0,0,0,0|1,0,1]=4 19881 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [0,2,0,0,0,0|1,0,1]=4 19882 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [0,2,0,0,0,0|1,0,1]=4 19883 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [0,2,0,0,0,0|1,0,1]=4 19884 B11R0.124 C=C[C@@H](CO)NCCCCCC 2230a_100016989147_100000210314 [0,2,0,0,0,0|1,0,0]=3 19885 B11R0.124 C=C[C@@H](CO)NCCCCCC 34a_100016989147_100000210314 [0,2,0,0,0,0|1,0,0]=3 19886 B11R0.124 C=C[C@@H](CO)NCCCCCF 2230a_100016989147_100000729378 [0,2,0,0,0,0|2,0,0]=4 19887 B11R0.124 C=C[C@@H](CO)NCCCCCF 34a_100016989147_100000729378 [0,2,0,0,0,0|2,0,0]=4 19888 B11R0.124 C=C[C@@H](CO)NCCCCCO 2230a_100016989147_100000746330 [0,2,0,0,0,0|2,0,0]=4 19889 B11R0.124 C=C[C@@H](CO)NCCCCCO 34a_100016989147_100000746330 [0,2,0,0,0,0|2,0,0]=4 19890 B11R0.124 C=C[C@@H](CO)NCCCCOC 2230a_100016989147_100000730899 [0,2,0,0,0,0|2,0,0]=4 19891 B11R0.124 C=C[C@@H](CO)NCCCCOC 34a_100016989147_100000755781 [0,2,0,0,0,0|2,0,0]=4 19892 B11R0.124 C=C[C@@H](CO)NCCCOCC 2230a_100016989147_100012232248 [0,2,0,0,0,0|2,0,0]=4 19893 B11R0.124 C=C[C@@H](CO)NCCCOCC 34a_100016989147_100012232248 [0,2,0,0,0,0|2,0,0]=4 19894 B11R0.124 C=C[C@@H](CO)NCCOCCC 2230a_100016989147_100011215938 [0,2,0,0,0,0|2,0,0]=4 19895 B11R0.124 C=C[C@@H](CO)NCCOCCC 34a_100016989147_100011215938 [0,2,0,0,0,0|2,0,0]=4 19896 B11R0.124 C=C[C@@H](CO)NCOCCCC 2230a_100016989147_100011995733 [0,2,0,0,0,0|2,0,0]=4 19897 B11R0.124 C=C[C@@H](CO)NCOCCCC 34a_100016989147_100011995733 [0,2,0,0,0,0|2,0,0]=4 19898 B11R0.124 CCC(CC)CNCCCCF 2230a_100102946423_100000729493 [0,2,0,0,0,0|2,0,0]=4 19899 B11R0.124 CCC(CC)CNCCCCO 2230a_100000750430_100011215472 [0,2,0,0,0,0|1,0,0]=3 19900 B11R0.124 CCC(CC)CNCCCCO 2230a_100102946423_100000210776 [0,2,0,0,0,0|1,0,0]=3 19901 B11R0.124 CCC(CC)CNCCCCO 269862a_100000750430_100000211137 [0,2,0,0,0,0|1,0,0]=3 19902 B11R0.124 CCC(CC)CNCCCCO 270004a_100000750430_100000211137 [0,2,0,0,0,0|1,0,0]=3 19903 B11R0.124 CCC(CC)CNCCCCO 34a_100000750430_100011215472 [0,2,0,0,0,0|1,0,0]=3 19904 B11R0.124 CCC(CC)COCCCCBr 34a_100011216708_100011215472 [0,2,0,0,0,0|2,0,0]=4 19905 B11R0.124 CCC(CC)COCCCCCl 34a_100000210776_100011215472 [0,2,0,0,0,0|2,0,0]=4 19906 B11R0.124 CCC(CC)COCCCCCl 7a_100000210776_100011215472 [0,2,0,0,0,0|2,0,0]=4 19907 B11R0.124 CCC(CC)COCCCCF 34a_100011995726_100011215472 [0,2,0,0,0,0|2,0,0]=4 19908 B11R0.124 CCC(CC)COCCCCF 7a_100000703878_100000729493 [0,2,0,0,0,0|2,0,0]=4 19909 B11R0.124 CCC(CC)COCCCCF 7a_100011995726_100011215472 [0,2,0,0,0,0|2,0,0]=4 19910 B11R0.124 CCC(CC)COCCCCI 34a_200012148704_100011215472 [0,2,0,0,0,0|2,0,0]=4 19911 B11R0.124 CCC(CC)COCCCCN 34a_100000750430_100011215472 [0,2,0,0,0,0|2,0,0]=4 19912 B11R0.124 CCC(CC)COCCCCO 7a_100000703878_100000210776 [0,2,0,0,0,0|1,0,0]=3 19913 B11R0.124 CCC(CC)CSCCCCF 62a_100000729493_100011215472 [0,2,0,0,0,0|2,0,0]=4 19914 B11R0.124 CCC(CC)CSCCCCF 62a_100011215472_100000729493 [0,2,0,0,0,0|2,0,0]=4 19915 B11R0.124 CCC(CC)CSCCCCO 62a_100000210776_100011215472 [0,2,0,0,0,0|1,0,0]=3 19916 B11R0.124 CCC(CC)CSCCCCO 62a_100011215472_100000210776 [0,2,0,0,0,0|1,0,0]=3 19917 B11R0.124 CCC(CC)NCCCCCF 2230a_100000199018_100000729378 [0,2,0,0,0,0|2,0,0]=4 19918 B11R0.124 CCC(CC)NCCCCCO 2230a_100000199018_100000746330 [0,2,0,0,0,0|1,0,0]=3 19919 B11R0.124 CCC(CC)NCCCCCO 270004a_100000762737_100000210860 [0,2,0,0,0,0|1,0,0]=3 19920 B11R0.124 CCC(CC)NCCOCCO 2230a_100000199018_100011215305 [0,2,0,0,0,0|2,0,0]=4 19921 B11R0.124 CCC(CC)NCCOCCO 270004a_100000211614_100000210860 [0,2,0,0,0,0|2,0,0]=4 19922 B11R0.124 CCC(CC)NCCSCCO 270004a_100011219999_100000210860 [0,2,0,0,0,0|2,0,0]=4 19923 B11R0.124 CCC(CC)OCCCCCBr 7a_100000746331_100000210505 [0,2,0,0,0,0|2,0,0]=4 19924 B11R0.124 CCC(CC)OCCCCCCl 7a_100000746330_100000210505 [0,2,0,0,0,0|2,0,0]=4 19925 B11R0.124 CCC(CC)OCCCCCF 7a_100000688536_100000729378 [0,2,0,0,0,0|2,0,0]=4 19926 B11R0.124 CCC(CC)OCCCCCI 7a_200012148887_100000210505 [0,2,0,0,0,0|2,0,0]=4 19927 B11R0.124 CCC(CC)OCCCCCO 7a_100000688536_100000746330 [0,2,0,0,0,0|1,0,0]=3 19928 B11R0.124 CCC(CC)OCCOCCO 7a_100000688536_100011215305 [0,2,0,0,0,0|2,0,0]=4 19929 B11R0.124 CCC(CC)SCCCCCF 62a_100000210505_100000729378 [0,2,0,0,0,0|2,0,0]=4 19930 B11R0.124 CCC(CC)SCCCCCF 62a_100000729378_100000210505 [0,2,0,0,0,0|2,0,0]=4 19931 B11R0.124 CCC(CC)SCCCCCO 62a_100000210505_100000746330 [0,2,0,0,0,0|1,0,0]=3 19932 B11R0.124 CCC(CC)SCCCCCO 62a_100000746330_100000210505 [0,2,0,0,0,0|1,0,0]=3 19933 B11R0.124 CCC(CC)SCCOCCO 62a_100000210505_100011215305 [0,2,0,0,0,0|2,0,0]=4 19934 B11R0.124 CCC(CC)SCCOCCO 62a_100011215305_100000210505 [0,2,0,0,0,0|2,0,0]=4 19935 B11R0.124 CCC(COCCCCF)OC 34a_100011934954_100000729493 [0,2,0,0,0,0|2,0,0]=4 19936 B11R0.124 CCC(COCCCCF)OC 7a_100011934954_100000729493 [0,2,0,0,0,0|2,0,0]=4 19937 B11R0.124 CCC(COCCCCO)OC 34a_100011934954_100011216708 [0,2,0,0,0,0|1,0,0]=3 19938 B11R0.124 CCC(COCCCCO)OC 7a_100011934954_100000210776 [0,2,0,0,0,0|1,0,0]=3 19939 B11R0.124 CCCCCCCC(CC)NC 270004a_106832991635_200011217162 [0,2,0,0,0,0|1,0,0]=3 19940 B11R0.124 CCCCCCCC(CC)OC 34a_200011217053_200000210301 [0,2,0,0,0,0|1,0,0]=3 19941 B11R0.124 CCCCCCCC(CC)OC 7a_200011217053_200000210301 [0,2,0,0,0,0|1,0,0]=3 19942 B11R0.124 CCCCCCCC(CC)O[13CH3] 34a_200011217053_200025704644 [0,2,0,0,0,0|1,0,0]=3 19943 B11R0.124 CCCCCCCC(CC)O[13CH3] 7a_200011217053_200025704644 [0,2,0,0,0,0|1,0,0]=3 19944 B11R0.124 CCCCCCCN(CC)CC 2230a_100000228213_100000210202 [0,2,0,0,0,0|2,0,0]=4 19945 B11R0.124 CCCCCCCN(CC)CC 2230a_100000724800_100000210681 [0,2,0,0,0,0|2,0,0]=4 19946 B11R0.124 CCCCCCCN(CC)CC 269956a_100000042499_100000210614 [0,2,0,0,0,0|2,0,0]=4 19947 B11R0.124 CCCCCCCN(CC)CC 269982a_100000228213_100000204670 [0,2,0,0,0,0|2,0,0]=4 19948 B11R0.124 CCCCCCCN(CC)CC 269982a_100000724800_100000210681 [0,2,0,0,0,0|2,0,0]=4 19949 B11R0.124 CCCCCCCN(CC)CF 269982a_100000228213_100015361967 [0,2,0,0,0,0|2,0,0]=4 19950 B11R0.124 CCCCCCNC(CC)CC 2230a_100000199018_100000210314 [0,2,0,0,0,0|2,0,0]=4 19951 B11R0.124 CCCCCCNC(CC)CC 270004a_100000210581_100000210860 [0,2,0,0,0,0|2,0,0]=4 19952 B11R0.124 CCCCCCNC(CO)CO 2230a_100000759517_100000210314 [0,2,0,0,0,0|1,0,0]=3 19953 B11R0.124 CCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210314 [0,2,0,0,0,0|1,0,0]=3 19954 B11R0.124 CCCCCCOC(CC)CC 7a_100000210259_100000210505 [0,2,0,0,0,0|2,0,0]=4 19955 B11R0.124 CCCCCCOC(CC)CC 7a_100000688536_100000210314 [0,2,0,0,0,0|2,0,0]=4 19956 B11R0.124 CCCCCCOC(CCl)CCl 7a_100000737055_100000210314 [0,2,0,0,0,0|2,0,0]=4 19957 B11R0.124 CCCCCCOC(CF)CF 34a_100000032261_100000210314 [0,2,0,0,0,0|2,0,0]=4 19958 B11R0.124 CCCCCCOC(CF)CF 7a_100000032261_100000210314 [0,2,0,0,0,0|2,0,0]=4 19959 B11R0.124 CCCCCCOC(CN)CN 34a_100000031598_100000210314 [0,2,0,0,0,0|2,0,0]=4 19960 B11R0.124 CCCCCCO[C@@H](CF)CCl 34a_100015614560_100000210314 [0,2,0,0,0,0|2,0,0]=4 19961 B11R0.124 CCCCCCO[C@@H](CF)CCl 7a_100015614560_100000210314 [0,2,0,0,0,0|2,0,0]=4 19962 B11R0.124 CCCCCCSC(CC)CC 62a_100000210314_100000210505 [0,2,0,0,0,0|2,0,0]=4 19963 B11R0.124 CCCCCCSC(CC)CC 62a_100000210505_100000210757 [0,2,0,0,0,0|2,0,0]=4 19964 B11R0.124 CCCCCNCC(CC)CC 2230a_100000209983_100011215472 [0,2,0,0,0,0|2,0,0]=4 19965 B11R0.124 CCCCCNCC(CC)CC 2230a_100102946423_100000210326 [0,2,0,0,0,0|2,0,0]=4 19966 B11R0.124 CCCCCNCC(CC)CC 269862a_100000209983_100000211137 [0,2,0,0,0,0|2,0,0]=4 19967 B11R0.124 CCCCCNCC(CC)CC 270004a_100000209983_100000211137 [0,2,0,0,0,0|2,0,0]=4 19968 B11R0.124 CCCCCOCC(CC)CC 34a_100000210253_100011215472 [0,2,0,0,0,0|2,0,0]=4 19969 B11R0.124 CCCCCOCC(CC)CC 7a_100000210253_100011215472 [0,2,0,0,0,0|2,0,0]=4 19970 B11R0.124 CCCCCOCC(CC)CC 7a_100000703878_100000210326 [0,2,0,0,0,0|2,0,0]=4 19971 B11R0.124 CCCCCOCC(CC)OC 34a_100011934954_100000718602 [0,2,0,0,0,0|2,0,0]=4 19972 B11R0.124 CCCCCOCC(CC)OC 7a_100011934954_100000210326 [0,2,0,0,0,0|2,0,0]=4 19973 B11R0.124 CCCCCSCC(CC)CC 62a_100000210326_100011215472 [0,2,0,0,0,0|2,0,0]=4 19974 B11R0.124 CCCCCSCC(CC)CC 62a_100011215472_100000210326 [0,2,0,0,0,0|2,0,0]=4 19975 B11R0.124 CCCCOCNC(CO)CO 2230a_100000759517_100011995733 [0,2,0,0,0,0|2,0,0]=4 19976 B11R0.124 CCCCOCN[C@@H](CC)CO 2230a_100000709445_100011995733 [0,2,0,0,0,0|2,0,0]=4 19977 B11R0.124 CCCOCCNC(CO)CO 2230a_100000759517_100011215938 [0,2,0,0,0,0|2,0,0]=4 19978 B11R0.124 CCCOCCN[C@@H](CC)CO 2230a_100000709445_100011215938 [0,2,0,0,0,0|2,0,0]=4 19979 B11R0.124 CCN(CC)CCCCCCF 2230a_100000724800_100015922095 [0,2,0,0,0,0|2,0,0]=4 19980 B11R0.124 CCN(CC)CCCCCCF 269956a_100000042499_100015922095 [0,2,0,0,0,0|2,0,0]=4 19981 B11R0.124 CCN(CC)CCCCCCF 269982a_100000724800_100015922095 [0,2,0,0,0,0|2,0,0]=4 19982 B11R0.124 CCN(CC)CCCCCCO 2230a_100000724800_100000766143 [0,2,0,0,0,0|1,0,0]=3 19983 B11R0.124 CCN(CC)CCCCCCO 269956a_100000042499_100000766143 [0,2,0,0,0,0|1,0,0]=3 19984 B11R0.124 CCN(CC)CCCCCCO 269982a_100000724800_100000766143 [0,2,0,0,0,0|1,0,0]=3 19985 B11R0.124 CCN(CC)CCCNCCO 2230a_100016997473_100000709985 [0,2,0,0,0,0|2,0,0]=4 19986 B11R0.124 CCN(CC)CCCOCCO 7a_100000212844_100000211926 [0,2,0,0,0,0|2,0,0]=4 19987 B11R0.124 CCN(CC)CCCSCCO 62a_100000211926_100000709985 [0,2,0,0,0,0|2,0,0]=4 19988 B11R0.124 CCN(CC)CCNCCCO 2230a_100015382049_100000230001 [0,2,0,0,0,0|2,0,0]=4 19989 B11R0.124 CCN(CC)CCOCCCO 7a_100016990331_100011215043 [0,2,0,0,0,0|2,0,0]=4 19990 B11R0.124 CCN(CC)CCSCCCO 62a_100011215043_100000700428 [0,2,0,0,0,0|2,0,0]=4 19991 B11R0.124 CCN(CC)COCCCCO 7a_200015374951_100000210776 [0,2,0,0,0,0|2,0,0]=4 19992 B11R0.124 CCOCCCNC(CO)CO 2230a_100000759517_100012232248 [0,2,0,0,0,0|2,0,0]=4 19993 B11R0.124 CCOCCCN[C@@H](CC)CO 2230a_100000709445_100012232248 [0,2,0,0,0,0|2,0,0]=4 19994 B11R0.124 CC[C@@H](CO)NCCCCCF 2230a_100000709445_100000729378 [0,2,0,0,0,0|2,0,0]=4 19995 B11R0.124 CC[C@@H](CO)NCCCCCO 2230a_100000709445_100000746330 [0,2,0,0,0,0|1,0,0]=3 19996 B11R0.124 CC[C@@H](CO)NCCCCOC 2230a_100000709445_100000730899 [0,2,0,0,0,0|2,0,0]=4 19997 B11R0.124 CC[C@@H](CO)NCCOCCO 2230a_100000709445_100011215305 [0,2,0,0,0,0|2,0,0]=4 19998 B11R0.124 COC(CCCNCCO)OC 2230a_100016997473_100000069011 [0,2,0,0,0,0|2,0,0]=4 19999 B11R0.124 COC(CCCNCCO)OC 34a_100016990907_100000069011 [0,2,0,0,0,0|2,0,0]=4 20000 B11R0.124 COC(CCCSCCO)OC 62a_100000069011_100000211926 [0,2,0,0,0,0|2,0,0]=4 20001 B11R0.124 COC(CCCSCCO)OC 62a_100000211926_100000069011 [0,2,0,0,0,0|2,0,0]=4 20002 B11R0.124 COC(CCSCCCO)OC 62a_100000139399_100011215043 [0,2,0,0,0,0|2,0,0]=4 20003 B11R0.124 COC(CCSCCCO)OC 62a_100011215043_100000139399 [0,2,0,0,0,0|2,0,0]=4 20004 B11R0.124 COC(CNCCCCO)OC 2230a_100000750430_100000751394 [0,2,0,0,0,0|2,0,0]=4 20005 B11R0.124 COC(CNCCCCO)OC 270004a_100000750430_100000752162 [0,2,0,0,0,0|2,0,0]=4 20006 B11R0.124 COC(CNCCCCO)OC 34a_100000750430_100000211822 [0,2,0,0,0,0|2,0,0]=4 20007 B11R0.124 COC(COCCCCO)OC 34a_100011216393_100011216708 [0,2,0,0,0,0|2,0,0]=4 20008 B11R0.124 COC(CSCCCCO)OC 62a_100000210776_100000751394 [0,2,0,0,0,0|2,0,0]=4 20009 B11R0.124 COC(CSCCCCO)OC 62a_100000751394_100000210776 [0,2,0,0,0,0|2,0,0]=4 20010 B11R0.124 COCCCCNC(CO)CO 2230a_100000759517_100000730899 [0,2,0,0,0,0|2,0,0]=4 20011 B11R0.124 NCC(CN)OCCCCCO 34a_100000031598_100000746330 [0,2,0,0,0,0|2,0,0]=4 20012 B11R0.124 OCC(CO)NCCCCCF 2230a_100000759517_100000729378 [0,2,0,0,0,0|2,0,0]=4 20013 B11R0.124 OCCCCCNC(CO)CO 2230a_100000759517_100000746330 [0,2,0,0,0,0|2,0,0]=4 20014 B11R0.124 OCCCCCOC(CCl)CCl 7a_100000737055_100000746330 [0,2,0,0,0,0|2,0,0]=4 20015 B11R0.124 OCCCCCOC(CF)CF 34a_100000032261_100000746330 [0,2,0,0,0,0|2,0,0]=4 20016 B11R0.124 OCCCCCOC(CF)CF 7a_100000032261_100000746330 [0,2,0,0,0,0|2,0,0]=4 20017 B11R0.124 OCCCCCO[C@@H](CF)CCl 34a_100015614560_100000746330 [0,2,0,0,0,0|2,0,0]=4 20018 B11R0.124 OCCCCCO[C@@H](CF)CCl 7a_100015614560_100000746330 [0,2,0,0,0,0|2,0,0]=4 20019 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [0,2,0,0,0,0|0,0,2]=4 20020 B11R0.154 CCC(=O)CN(C)CCCCO 269982a_100000717598_100000747405 [0,2,0,0,0,0|1,0,1]=4 20021 B11R0.154 CCC(C)CC(=O)CCCCF 1458a_100000708755_100000729493 [0,2,0,0,0,0|1,0,1]=4 20022 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000695505_100000748023 [0,2,0,0,0,0|0,0,1]=3 20023 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000708755_100000210776 [0,2,0,0,0,0|0,0,1]=3 20024 B11R0.154 CCC(C)CC(=O)COCCO 1458a_100000708028_100000748023 [0,2,0,0,0,0|1,0,1]=4 20025 B11R0.154 CCC(C)CC(=O)NCCCO 240690a_100000182051_100000708755 [0,2,0,0,0,0|1,0,1]=4 20026 B11R0.154 CCC(C)CC(=O)NCCCO 527a_100000182051_100000708755 [0,2,0,0,0,0|1,0,1]=4 20027 B11R0.154 CCC(C)CC(C)NCCCF 2230a_100000763565_100011934791 [0,2,0,0,0,0|2,0,0]=4 20028 B11R0.154 CCC(C)CC(C)NCCCF 270004a_100015189416_100011710205 [0,2,0,0,0,0|2,0,0]=4 20029 B11R0.154 CCC(C)CC(C)NCCCO 2230a_100000763565_100000230001 [0,2,0,0,0,0|1,0,0]=3 20030 B11R0.154 CCC(C)CC(C)NCCCO 270004a_100000182051_100011710205 [0,2,0,0,0,0|1,0,0]=3 20031 B11R0.154 CCC(C)CN(C)CCCCF 2230a_100000753921_100000729493 [0,2,0,0,0,0|2,0,0]=4 20032 B11R0.154 CCC(C)CN(C)CCCCF 269982a_100000753921_100000729493 [0,2,0,0,0,0|2,0,0]=4 20033 B11R0.154 CCC(C)CN(C)CCCCO 2230a_100000717598_100000748023 [0,2,0,0,0,0|1,0,0]=3 20034 B11R0.154 CCC(C)CN(C)CCCCO 2230a_100000753921_100000210776 [0,2,0,0,0,0|1,0,0]=3 20035 B11R0.154 CCC(C)CN(C)CCCCO 269982a_100000717598_100000748023 [0,2,0,0,0,0|1,0,0]=3 20036 B11R0.154 CCC(C)CN(C)CCCCO 269982a_100000753921_100000210776 [0,2,0,0,0,0|1,0,0]=3 20037 B11R0.154 CCC(C)CN(C)CCCCO 270004a_100000717598_100000243153 [0,2,0,0,0,0|1,0,0]=3 20038 B11R0.154 CCC(C)NC(=O)CCCCO 1626a_100000209981_100000695505 [0,2,0,0,0,0|1,0,1]=4 20039 B11R0.154 CCC(O)CC(=O)CCCCF 1458a_100011667805_100000729493 [0,2,0,0,0,0|1,0,1]=4 20040 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100000695505_100011218378 [0,2,0,0,0,0|0,0,1]=3 20041 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100011667805_100000210776 [0,2,0,0,0,0|0,0,1]=3 20042 B11R0.154 CCC(O)CC(=O)COCCO 1458a_100000708028_100011218378 [0,2,0,0,0,0|1,0,1]=4 20043 B11R0.154 CCC(O)CC(=O)NCCCO 240690a_100000182051_100011667805 [0,2,0,0,0,0|1,0,1]=4 20044 B11R0.154 CCC(O)CN(C)CCCCO 2230a_100000717598_100011218378 [0,2,0,0,0,0|1,0,0]=3 20045 B11R0.154 CCC(O)CN(C)CCCCO 269982a_100000717598_100011218378 [0,2,0,0,0,0|1,0,0]=3 20046 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,2,0,0,0,0|0,0,2]=4 20047 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,2,0,0,0,0|1,0,1]=4 20048 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,2,0,0,0,0|1,0,1]=4 20049 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,2,0,0,0,0|1,0,1]=4 20050 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,2,0,0,0,0|1,0,1]=4 20051 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,2,0,0,0,0|1,0,1]=4 20052 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [0,2,0,0,0,0|0,0,1]=3 20053 B11R0.154 CCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000212188 [0,2,0,0,0,0|1,0,1]=4 20054 B11R0.154 CCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000212188 [0,2,0,0,0,0|1,0,1]=4 20055 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,2,0,0,0,0|1,0,1]=4 20056 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,2,0,0,0,0|1,0,1]=4 20057 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000209981_200011218191 [0,2,0,0,0,0|2,0,0]=4 20058 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000211957_100000758301 [0,2,0,0,0,0|2,0,0]=4 20059 B11R0.154 CCCCCC(C)NC(C)CC 270004a_100000209981_100000211708 [0,2,0,0,0,0|2,0,0]=4 20060 B11R0.154 CCCCCC(C)NC(C)CO 2230a_100000211957_100012180447 [0,2,0,0,0,0|1,0,0]=3 20061 B11R0.154 CCCCCC(C)N[C@H](C)CF 270004a_100102880703_100000211708 [0,2,0,0,0,0|2,0,0]=4 20062 B11R0.154 CCCCCC(C)N[C@H](C)CO 2230a_100000737577_200011218191 [0,2,0,0,0,0|1,0,0]=3 20063 B11R0.154 CCCCCC(C)N[C@H](C)CO 270004a_100000737577_100000211708 [0,2,0,0,0,0|1,0,0]=3 20064 B11R0.154 CCCCCC(C)OC(C)CC 34a_100011215632_100011215416 [0,2,0,0,0,0|2,0,0]=4 20065 B11R0.154 CCCCCC(C)OC(C)CC 7a_100000210228_200011218191 [0,2,0,0,0,0|2,0,0]=4 20066 B11R0.154 CCCCCC(C)OC(C)CC 7a_100011215632_100000758301 [0,2,0,0,0,0|2,0,0]=4 20067 B11R0.154 CCCCCC(C)OC(C)CF 34a_100016041109_200011218191 [0,2,0,0,0,0|2,0,0]=4 20068 B11R0.154 CCCCCC(C)OC(C)CF 7a_100016041109_200011218191 [0,2,0,0,0,0|2,0,0]=4 20069 B11R0.154 CCCCCC(C)OC(C)CN 34a_100000210904_200011218191 [0,2,0,0,0,0|2,0,0]=4 20070 B11R0.154 CCCCCC(C)OC(C)CO 34a_100011215632_100012180447 [0,2,0,0,0,0|1,0,0]=3 20071 B11R0.154 CCCCCC(C)OC(C)CO 7a_100011215632_100012180447 [0,2,0,0,0,0|1,0,0]=3 20072 B11R0.154 CCCCCC(C)SC(C)CC 62a_100000758301_200011218191 [0,2,0,0,0,0|2,0,0]=4 20073 B11R0.154 CCCCCC(C)SC(C)CC 62a_200011218191_100000758301 [0,2,0,0,0,0|2,0,0]=4 20074 B11R0.154 CCCCCC(C)SC(C)CO 62a_100012180447_200011218191 [0,2,0,0,0,0|1,0,0]=3 20075 B11R0.154 CCCCCC(C)S[C@H](C)CO 62a_100016084084_200011218191 [0,2,0,0,0,0|1,0,0]=3 20076 B11R0.154 CCCCCC(C)S[C@H](C)CO 62a_200011218191_100016084084 [0,2,0,0,0,0|1,0,0]=3 20077 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000223495_100000748023 [0,2,0,0,0,0|2,0,0]=4 20078 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000753921_100000210326 [0,2,0,0,0,0|2,0,0]=4 20079 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000223495_100000748023 [0,2,0,0,0,0|2,0,0]=4 20080 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000753921_100000210215 [0,2,0,0,0,0|2,0,0]=4 20081 B11R0.154 CCCCCN(C)CC(C)CC 270004a_100000223495_100000243153 [0,2,0,0,0,0|2,0,0]=4 20082 B11R0.154 CCCCCN(C)CC(O)CC 2230a_100000223495_100011218378 [0,2,0,0,0,0|2,0,0]=4 20083 B11R0.154 CCCCCN(C)CC(O)CC 269982a_100000223495_100011218378 [0,2,0,0,0,0|2,0,0]=4 20084 B11R0.154 CCCCCN(C)CC(O)CO 2230a_100000223495_100011219619 [0,2,0,0,0,0|1,0,0]=3 20085 B11R0.154 CCCCCN(C)CC(O)CO 2230a_100011216503_100000210326 [0,2,0,0,0,0|1,0,0]=3 20086 B11R0.154 CCCCCN(C)CC(O)CO 269982a_100011216503_100000210215 [0,2,0,0,0,0|1,0,0]=3 20087 B11R0.154 CCCCCN(C)C[C@@H](C)CC 2230a_100000223495_100009816398 [0,2,0,0,0,0|2,0,0]=4 20088 B11R0.154 CCCCCN(C)C[C@@H](C)CC 269982a_100000223495_100009816398 [0,2,0,0,0,0|2,0,0]=4 20089 B11R0.154 CCCCCN(C)C[C@@H](C)CO 2230a_100000223495_100000059175 [0,2,0,0,0,0|1,0,0]=3 20090 B11R0.154 CCCCCN(C)C[C@@H](C)CO 269982a_100000223495_100000059175 [0,2,0,0,0,0|1,0,0]=3 20091 B11R0.154 CCCCCN(C)C[C@@H](O)CF 2230a_100000223495_100015614560 [0,2,0,0,0,0|2,0,0]=4 20092 B11R0.154 CCCCCN(C)C[C@@H](O)CO 2230a_100000223495_100009815848 [0,2,0,0,0,0|1,0,0]=3 20093 B11R0.154 CCCCNC(C)CC(C)CC 2230a_100000763565_100000210211 [0,2,0,0,0,0|2,0,0]=4 20094 B11R0.154 CCCCNC(C)CC(C)CC 270004a_100000102301_100011710205 [0,2,0,0,0,0|2,0,0]=4 20095 B11R0.154 CCCOCC(=O)C[C@@H](C)CO 1458a_100000745993_100000059175 [0,2,0,0,0,0|1,0,1]=4 20096 B11R0.154 CCCSCC(=O)C[C@@H](C)CO 1458a_100000217233_100000059175 [0,2,0,0,0,0|1,0,1]=4 20097 B11R0.154 CCCSCC(C)N[C@H](C)CO 270004a_100000737577_100011343953 [0,2,0,0,0,0|2,0,0]=4 20098 B11R0.154 CCN(C)CC(=O)CCCCO 1458a_100116209913_100000210776 [0,2,0,0,0,0|1,0,1]=4 20099 B11R0.154 CCOCCC(=O)C[C@@H](C)CO 1458a_100000749530_100000059175 [0,2,0,0,0,0|1,0,1]=4 20100 B11R0.154 CCOCCC(C)N[C@H](C)CO 270004a_100000737577_200011216536 [0,2,0,0,0,0|2,0,0]=4 20101 B11R0.154 CCOCCN(C)CC(O)CO 2230a_100011216503_100011215890 [0,2,0,0,0,0|2,0,0]=4 20102 B11R0.154 CCOCCN(C)CC(O)CO 269982a_100011216503_100011215890 [0,2,0,0,0,0|2,0,0]=4 20103 B11R0.154 CCSCCC(=O)C[C@@H](C)CO 1458a_100000230768_100000059175 [0,2,0,0,0,0|1,0,1]=4 20104 B11R0.154 CCSCCN(C)CC(O)CO 2230a_100011216503_100000757381 [0,2,0,0,0,0|2,0,0]=4 20105 B11R0.154 CCSCCN(C)CC(O)CO 269982a_100011216503_100000757381 [0,2,0,0,0,0|2,0,0]=4 20106 B11R0.154 CC[C@H](C)CC(=O)CCCCO 1458a_100000695505_100009816398 [0,2,0,0,0,0|0,0,1]=3 20107 B11R0.154 CC[C@H](C)CC(=O)COCCO 1458a_100000708028_100009816398 [0,2,0,0,0,0|1,0,1]=4 20108 B11R0.154 CC[C@H](C)CN(C)CCCCO 2230a_100000717598_100009816398 [0,2,0,0,0,0|1,0,0]=3 20109 B11R0.154 CC[C@H](C)CN(C)CCCCO 269982a_100000717598_100009816398 [0,2,0,0,0,0|1,0,0]=3 20110 B11R0.154 CN(CCCCF)CC(O)CO 2230a_100011216503_100000729493 [0,2,0,0,0,0|2,0,0]=4 20111 B11R0.154 CN(CCCCF)CC(O)CO 269982a_100011216503_100000729493 [0,2,0,0,0,0|2,0,0]=4 20112 B11R0.154 CN(CCCCO)CC(O)CO 2230a_100000717598_100011219619 [0,2,0,0,0,0|2,0,0]=4 20113 B11R0.154 CN(CCCCO)CC(O)CO 2230a_100011216503_100000210776 [0,2,0,0,0,0|2,0,0]=4 20114 B11R0.154 CN(CCCCO)CC(O)CO 269982a_100011216503_100000210776 [0,2,0,0,0,0|2,0,0]=4 20115 B11R0.154 CN(CCCCO)C[C@@H](O)CF 2230a_100000717598_100015614560 [0,2,0,0,0,0|2,0,0]=4 20116 B11R0.154 CN(CCCCO)C[C@@H](O)CO 2230a_100000717598_100009815848 [0,2,0,0,0,0|2,0,0]=4 20117 B11R0.154 COCCCC(=O)C[C@@H](C)CO 1458a_100000741012_100000059175 [0,2,0,0,0,0|1,0,1]=4 20118 B11R0.154 COCCCC(C)OC(C)CO 34a_200011539412_100012180447 [0,2,0,0,0,0|2,0,0]=4 20119 B11R0.154 COCCCC(C)OC(C)CO 7a_200011539412_100012180447 [0,2,0,0,0,0|2,0,0]=4 20120 B11R0.154 COCCCN(C)CC(O)CO 2230a_100000224831_100011219619 [0,2,0,0,0,0|2,0,0]=4 20121 B11R0.154 COCCCN(C)CC(O)CO 2230a_100011216503_100000740836 [0,2,0,0,0,0|2,0,0]=4 20122 B11R0.154 COCCCN(C)CC(O)CO 269982a_100011216503_100000740836 [0,2,0,0,0,0|2,0,0]=4 20123 B11R0.154 COCCCN(C)C[C@@H](C)CO 2230a_100000224831_100000059175 [0,2,0,0,0,0|2,0,0]=4 20124 B11R0.154 COCCCN(C)C[C@@H](C)CO 269982a_100000224831_100000059175 [0,2,0,0,0,0|2,0,0]=4 20125 B11R0.154 COCCCN(C)C[C@@H](O)CO 2230a_100000224831_100009815848 [0,2,0,0,0,0|2,0,0]=4 20126 B11R0.154 CSCCCC(=O)C[C@@H](C)CO 1458a_100000173376_100000059175 [0,2,0,0,0,0|1,0,1]=4 20127 B11R0.154 CSCCCC(C)N[C@H](C)CO 270004a_100000737577_100011399439 [0,2,0,0,0,0|2,0,0]=4 20128 B11R0.154 C[C@@H](CO)CC(=O)CCCCO 1458a_100000695505_100000059175 [0,2,0,0,0,0|1,0,1]=4 20129 B11R0.154 C[C@@H](CO)CN(C)CCCCO 2230a_100000717598_100000059175 [0,2,0,0,0,0|2,0,0]=4 20130 B11R0.154 C[C@@H](CO)CN(C)CCCCO 269982a_100000717598_100000059175 [0,2,0,0,0,0|2,0,0]=4 20131 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000210183_200011215066 [0,2,0,0,0,0|1,0,1]=4 20132 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000725509_100000210211 [0,2,0,0,0,0|1,0,1]=4 20133 B11R0.11 CCCCC(=O)C(O)CCCC 1458a_100000720857_100000210211 [0,2,0,0,0,0|1,0,1]=4 20134 B11R0.11 CCCCC(=O)N(C)CCCO 240690a_100000213112_100000210183 [0,2,0,0,0,0|1,0,1]=4 20135 B11R0.11 CCCCC(=O)N(C)CCCO 527a_100000213112_100000210183 [0,2,0,0,0,0|1,0,1]=4 20136 B11R0.11 CCCCC(C)C(=O)CCCF 1458a_100000725509_100011934791 [0,2,0,0,0,0|1,0,1]=4 20137 B11R0.11 CCCCC(C)C(=O)CCCO 1458a_100000725509_100011215043 [0,2,0,0,0,0|0,0,1]=3 20138 B11R0.11 CCCCC(C)C(=O)NCCO 240690a_100000210304_100000725509 [0,2,0,0,0,0|1,0,1]=4 20139 B11R0.11 CCCCC(C)C(=O)NCCO 527a_100000210304_100000725509 [0,2,0,0,0,0|1,0,1]=4 20140 B11R0.11 CCCCC(C)N(C)CCCC 2230a_100000207549_200011215066 [0,2,0,0,0,0|2,0,0]=4 20141 B11R0.11 CCCCC(C)N(C)CCCC 269982a_100000207549_200011215066 [0,2,0,0,0,0|2,0,0]=4 20142 B11R0.11 CCCCC(C)N(C)CCCC 270004a_100000207549_100000210087 [0,2,0,0,0,0|2,0,0]=4 20143 B11R0.11 CCCCC(C)N(C)CCCO 2230a_100000213112_200011215066 [0,2,0,0,0,0|1,0,0]=3 20144 B11R0.11 CCCCC(C)N(C)CCCO 269982a_100000213112_200011215066 [0,2,0,0,0,0|1,0,0]=3 20145 B11R0.11 CCCCC(C)N(C)CCCO 270004a_100000213112_100000210087 [0,2,0,0,0,0|1,0,0]=3 20146 B11R0.11 CCCCC(O)C(=O)CCCF 1458a_100000720857_100011934791 [0,2,0,0,0,0|1,0,1]=4 20147 B11R0.11 CCCCC(O)C(=O)CCCO 1458a_100000720857_100011215043 [0,2,0,0,0,0|0,0,1]=3 20148 B11R0.11 CCCCC(O)C(=O)NCCO 240690a_100000210304_100000720857 [0,2,0,0,0,0|1,0,1]=4 20149 B11R0.11 CCCCC(O)C(=O)NCCO 527a_100000210304_100000720857 [0,2,0,0,0,0|1,0,1]=4 20150 B11R0.11 CCSCC(C)N(C)CCCO 270004a_100000213112_200011216171 [0,2,0,0,0,0|2,0,0]=4 20151 B11R0.11 COCCC(C)N(C)CCCO 270004a_100000213112_100000742357 [0,2,0,0,0,0|2,0,0]=4 20152 B11R0.11 CSCCC(C)N(C)CCCO 270004a_100000213112_100011217047 [0,2,0,0,0,0|2,0,0]=4 20153 B11R0.11 CSCCC(O)C(=O)CCCO 1458a_100000685904_100011215043 [0,2,0,0,0,0|1,0,1]=4 20154 B11R0.152 C#CC(CCCC)OCCCC 34a_200011217967_100000210210 [0,2,0,0,0,0|2,0,0]=4 20155 B11R0.152 C#CC(CCCC)OCCCC 7a_200011217967_100000210211 [0,2,0,0,0,0|2,0,0]=4 20156 B11R0.152 C#CC(CCCC)OCCCF 34a_200011217967_100011934791 [0,2,0,0,0,0|2,0,0]=4 20157 B11R0.152 C#CC(CCCC)OCCCF 7a_200011217967_100011934791 [0,2,0,0,0,0|2,0,0]=4 20158 B11R0.152 C#CC(CCCC)OCCCO 34a_200011217967_100000230001 [0,2,0,0,0,0|1,0,0]=3 20159 B11R0.152 C#CC(CCCC)OCCCO 7a_200011217967_100011215043 [0,2,0,0,0,0|1,0,0]=3 20160 B11R0.152 C#CC(CCCCC)OCCC 34a_100011216489_100000210303 [0,2,0,0,0,0|2,0,0]=4 20161 B11R0.152 C#CC(CCCCC)OCCC 7a_100011216489_100000210303 [0,2,0,0,0,0|2,0,0]=4 20162 B11R0.152 C#CC(CCCCC)OCCF 34a_100011216489_100011217306 [0,2,0,0,0,0|2,0,0]=4 20163 B11R0.152 C#CC(CCCCC)OCCF 7a_100011216489_100011217306 [0,2,0,0,0,0|2,0,0]=4 20164 B11R0.152 C#CC(CCCCC)OCCO 34a_100011216489_100000211926 [0,2,0,0,0,0|1,0,0]=3 20165 B11R0.152 C#CC(CCCCC)OCCO 7a_100011216489_100000211926 [0,2,0,0,0,0|1,0,0]=3 20166 B11R0.152 C=CC(CCCC)OCCCC 34a_200011215037_100000210210 [0,2,0,0,0,0|2,0,0]=4 20167 B11R0.152 C=CC(CCCC)OCCCC 7a_200011215037_100000210211 [0,2,0,0,0,0|2,0,0]=4 20168 B11R0.152 C=CC(CCCC)OCCCF 34a_200011215037_100011934791 [0,2,0,0,0,0|2,0,0]=4 20169 B11R0.152 C=CC(CCCC)OCCCF 7a_200011215037_100011934791 [0,2,0,0,0,0|2,0,0]=4 20170 B11R0.152 C=CC(CCCC)OCCCO 34a_200011215037_100000230001 [0,2,0,0,0,0|1,0,0]=3 20171 B11R0.152 C=CC(CCCC)OCCCO 7a_200011215037_100011215043 [0,2,0,0,0,0|1,0,0]=3 20172 B11R0.152 C=CC(CCCCC)OCCC 34a_100011216863_100000210303 [0,2,0,0,0,0|2,0,0]=4 20173 B11R0.152 C=CC(CCCCC)OCCC 7a_100011216863_100000210303 [0,2,0,0,0,0|2,0,0]=4 20174 B11R0.152 C=CC(CCCCC)OCCF 34a_100011216863_100011217306 [0,2,0,0,0,0|2,0,0]=4 20175 B11R0.152 C=CC(CCCCC)OCCF 7a_100011216863_100011217306 [0,2,0,0,0,0|2,0,0]=4 20176 B11R0.152 C=CC(CCCCC)OCCO 34a_100011216863_100000211926 [0,2,0,0,0,0|1,0,0]=3 20177 B11R0.152 C=CC(CCCCC)OCCO 7a_100011216863_100000211926 [0,2,0,0,0,0|1,0,0]=3 20178 B11R0.152 CCCCC(CC)CNCCC 2230a_100000209976_100000210303 [0,2,0,0,0,0|2,0,0]=4 20179 B11R0.152 CCCCC(CC)CNCCC 269862a_100020643023_100011219736 [0,2,0,0,0,0|2,0,0]=4 20180 B11R0.152 CCCCC(CC)CNCCC 270004a_100020643023_100011219736 [0,2,0,0,0,0|2,0,0]=4 20181 B11R0.152 CCCCC(CC)CNCCF 2230a_100000209976_100011217306 [0,2,0,0,0,0|2,0,0]=4 20182 B11R0.152 CCCCC(CC)CNCCF 269862a_100000724931_100011219736 [0,2,0,0,0,0|2,0,0]=4 20183 B11R0.152 CCCCC(CC)CNCCF 34a_100000724931_100000211942 [0,2,0,0,0,0|2,0,0]=4 20184 B11R0.152 CCCCC(CC)CNCCO 2230a_100000209976_100000211926 [0,2,0,0,0,0|1,0,0]=3 20185 B11R0.152 CCCCC(CC)CNCCO 2230a_100016997473_100000211942 [0,2,0,0,0,0|1,0,0]=3 20186 B11R0.152 CCCCC(CC)CNCCO 269862a_100000210304_100011219736 [0,2,0,0,0,0|1,0,0]=3 20187 B11R0.152 CCCCC(CC)CNCCO 270004a_100000210304_100011219736 [0,2,0,0,0,0|1,0,0]=3 20188 B11R0.152 CCCCC(CC)CNCCO 34a_100016990907_100000211942 [0,2,0,0,0,0|1,0,0]=3 20189 B11R0.152 CCCCC(CC)COCCBr 34a_100000211926_100000211942 [0,2,0,0,0,0|2,0,0]=4 20190 B11R0.152 CCCCC(CC)COCCC 34a_100000210258_100000211942 [0,2,0,0,0,0|2,0,0]=4 20191 B11R0.152 CCCCC(CC)COCCC 34a_100000210273_100000210303 [0,2,0,0,0,0|2,0,0]=4 20192 B11R0.152 CCCCC(CC)COCCC 7a_100000210273_100000210303 [0,2,0,0,0,0|2,0,0]=4 20193 B11R0.152 CCCCC(CC)COCCF 34a_100000210273_100011217306 [0,2,0,0,0,0|2,0,0]=4 20194 B11R0.152 CCCCC(CC)COCCF 7a_100000210273_100011217306 [0,2,0,0,0,0|2,0,0]=4 20195 B11R0.152 CCCCC(CC)COCCN 34a_100000210304_100000211942 [0,2,0,0,0,0|2,0,0]=4 20196 B11R0.152 CCCCC(CC)COCCO 34a_100000210273_100000211926 [0,2,0,0,0,0|1,0,0]=3 20197 B11R0.152 CCCCC(CC)COCCO 7a_100000210273_100000211926 [0,2,0,0,0,0|1,0,0]=3 20198 B11R0.152 CCCCC(CC)CSCCC 62a_100000210303_100000211942 [0,2,0,0,0,0|2,0,0]=4 20199 B11R0.152 CCCCC(CC)CSCCC 62a_100000211942_100000210303 [0,2,0,0,0,0|2,0,0]=4 20200 B11R0.152 CCCCC(CC)CSCCF 62a_100000211942_100011217306 [0,2,0,0,0,0|2,0,0]=4 20201 B11R0.152 CCCCC(CC)CSCCF 62a_100011217306_100000211942 [0,2,0,0,0,0|2,0,0]=4 20202 B11R0.152 CCCCC(CC)CSCCO 62a_100000211926_100000211942 [0,2,0,0,0,0|1,0,0]=3 20203 B11R0.152 CCCCC(CC)CSCCO 62a_100000211942_100000211926 [0,2,0,0,0,0|1,0,0]=3 20204 B11R0.152 CCCCC(CC)NCCCF 270004a_100015189416_100000753412 [0,2,0,0,0,0|2,0,0]=4 20205 B11R0.152 CCCCC(CC)NCCCF 34a_100015189416_200011216223 [0,2,0,0,0,0|2,0,0]=4 20206 B11R0.152 CCCCC(CC)NCCCO 270004a_100000182051_100000753412 [0,2,0,0,0,0|1,0,0]=3 20207 B11R0.152 CCCCC(CC)OCCCBr 34a_100011217188_200011216223 [0,2,0,0,0,0|2,0,0]=4 20208 B11R0.152 CCCCC(CC)OCCCCl 34a_100000230001_200011216223 [0,2,0,0,0,0|2,0,0]=4 20209 B11R0.152 CCCCC(CC)OCCCF 34a_100000759539_200011216223 [0,2,0,0,0,0|2,0,0]=4 20210 B11R0.152 CCCCC(CC)OCCCF 34a_100011215227_100011934791 [0,2,0,0,0,0|2,0,0]=4 20211 B11R0.152 CCCCC(CC)OCCCF 7a_100011215227_100011934791 [0,2,0,0,0,0|2,0,0]=4 20212 B11R0.152 CCCCC(CC)OCCCN 34a_100000182051_200011216223 [0,2,0,0,0,0|2,0,0]=4 20213 B11R0.152 CCCCC(CC)OCCCO 34a_100011215227_100000230001 [0,2,0,0,0,0|1,0,0]=3 20214 B11R0.152 CCCCC(CC)OCCCO 7a_100011215227_100011215043 [0,2,0,0,0,0|1,0,0]=3 20215 B11R0.152 CCCCC(CC)SCCCF 62a_100011934791_200011216223 [0,2,0,0,0,0|2,0,0]=4 20216 B11R0.152 CCCCC(CC)SCCCF 62a_200011216223_100011934791 [0,2,0,0,0,0|2,0,0]=4 20217 B11R0.152 CCCCC(CC)SCCCO 62a_100011215043_200011216223 [0,2,0,0,0,0|1,0,0]=3 20218 B11R0.152 CCCCC(CC)SCCCO 62a_200011216223_100011215043 [0,2,0,0,0,0|1,0,0]=3 20219 B11R0.152 CCCCCC(CC)NCCC 270004a_100020643023_100011215316 [0,2,0,0,0,0|2,0,0]=4 20220 B11R0.152 CCCCCC(CC)NCCO 270004a_100000210304_100011215316 [0,2,0,0,0,0|1,0,0]=3 20221 B11R0.152 CCCCCC(CC)OCCC 34a_100011215405_100000210303 [0,2,0,0,0,0|2,0,0]=4 20222 B11R0.152 CCCCCC(CC)OCCC 7a_100011215405_100000210303 [0,2,0,0,0,0|2,0,0]=4 20223 B11R0.152 CCCCCC(CC)OCCF 34a_100011215405_100011217306 [0,2,0,0,0,0|2,0,0]=4 20224 B11R0.152 CCCCCC(CC)OCCF 7a_100011215405_100011217306 [0,2,0,0,0,0|2,0,0]=4 20225 B11R0.152 CCCCCC(CC)OCCO 34a_100011215405_100000211926 [0,2,0,0,0,0|1,0,0]=3 20226 B11R0.152 CCCCCC(CC)OCCO 7a_100011215405_100000211926 [0,2,0,0,0,0|1,0,0]=3 20227 B11R0.152 CCCCCC(CCCC)NC 270004a_106832991635_200011218572 [0,2,0,0,0,0|1,0,0]=3 20228 B11R0.152 CCCCCN(CC)CCCC 2230a_100000207695_100000210326 [0,2,0,0,0,0|2,0,0]=4 20229 B11R0.152 CCCCCN(CC)CCCC 269982a_100000207695_100000210215 [0,2,0,0,0,0|2,0,0]=4 20230 B11R0.152 CCCCN(CC)CCCCF 2230a_100000207695_100000729493 [0,2,0,0,0,0|2,0,0]=4 20231 B11R0.152 CCCCN(CC)CCCCF 269982a_100000207695_100000729493 [0,2,0,0,0,0|2,0,0]=4 20232 B11R0.152 CCCCN(CC)CCCCO 2230a_100000207695_100000210776 [0,2,0,0,0,0|1,0,0]=3 20233 B11R0.152 CCCCN(CC)CCCCO 2230a_100011217355_100000210211 [0,2,0,0,0,0|1,0,0]=3 20234 B11R0.152 CCCCN(CC)CCCCO 2230a_200011216965_100000210202 [0,2,0,0,0,0|1,0,0]=3 20235 B11R0.152 CCCCN(CC)CCCCO 269982a_100000207695_100000210776 [0,2,0,0,0,0|1,0,0]=3 20236 B11R0.152 CCCCN(CC)CCCCO 269982a_100011217355_100000210211 [0,2,0,0,0,0|1,0,0]=3 20237 B11R0.152 CCCCN(CC)CCCCO 269982a_200011216965_100000204670 [0,2,0,0,0,0|1,0,0]=3 20238 B11R0.152 CCCCN(CF)CCCCO 269982a_200011216965_100015361967 [0,2,0,0,0,0|1,0,0]=3 20239 B11R0.152 CCCCNC(CC)CCCC 270004a_100000102301_100000753412 [0,2,0,0,0,0|2,0,0]=4 20240 B11R0.152 CCCCNC(CC)CCCC 7a_106832991798_200011216223 [0,2,0,0,0,0|2,0,0]=4 20241 B11R0.152 CCCCN[C@H](CO)CCCC 2230a_100011934283_100000210211 [0,2,0,0,0,0|2,0,0]=4 20242 B11R0.152 CCCCN[C@H](CO)CCCC 34a_100011934283_100000210210 [0,2,0,0,0,0|2,0,0]=4 20243 B11R0.152 CCCCOC(CC)CCCC 34a_100000210227_200011216223 [0,2,0,0,0,0|2,0,0]=4 20244 B11R0.152 CCCCOC(CC)CCCC 34a_100011215227_100000210210 [0,2,0,0,0,0|2,0,0]=4 20245 B11R0.152 CCCCOC(CC)CCCC 7a_100000210227_200011216223 [0,2,0,0,0,0|2,0,0]=4 20246 B11R0.152 CCCCOC(CC)CCCC 7a_100011215227_100000210211 [0,2,0,0,0,0|2,0,0]=4 20247 B11R0.152 CCCCSC(CC)CCCC 62a_100000210211_200011216223 [0,2,0,0,0,0|2,0,0]=4 20248 B11R0.152 CCCCSC(CC)CCCC 62a_200011216223_100000210210 [0,2,0,0,0,0|2,0,0]=4 20249 B11R0.152 CCCC[C@@H](CO)NCCCF 2230a_100011934283_100011934791 [0,2,0,0,0,0|2,0,0]=4 20250 B11R0.152 CCCC[C@@H](CO)NCCCF 34a_100011934283_100011934791 [0,2,0,0,0,0|2,0,0]=4 20251 B11R0.152 CCCC[C@@H](CO)NCCCO 2230a_100011934283_100000230001 [0,2,0,0,0,0|1,0,0]=3 20252 B11R0.152 CCCC[C@@H](CO)NCCCO 34a_100011934283_100000230001 [0,2,0,0,0,0|1,0,0]=3 20253 B11R0.152 CCN(CCCCO)CCOC 2230a_100000731262_100000210776 [0,2,0,0,0,0|2,0,0]=4 20254 B11R0.152 CCN(CCCCO)CCOC 2230a_100011217355_100011201679 [0,2,0,0,0,0|2,0,0]=4 20255 B11R0.152 CCN(CCCCO)CCOC 269982a_100000731262_100000210776 [0,2,0,0,0,0|2,0,0]=4 20256 B11R0.152 CCN(CCCCO)CCOC 269982a_100011217355_100000233755 [0,2,0,0,0,0|2,0,0]=4 20257 B11R0.152 CCN(CCCCO)CCSC 2230a_100011217355_100000751147 [0,2,0,0,0,0|2,0,0]=4 20258 B11R0.152 CCN(CCCCO)CCSC 269982a_100011217355_100000212216 [0,2,0,0,0,0|2,0,0]=4 20259 B11R0.152 CCN(CCCF)CCCCO 2230a_100011217355_100011934791 [0,2,0,0,0,0|2,0,0]=4 20260 B11R0.152 CCN(CCCF)CCCCO 269982a_100011217355_100011934791 [0,2,0,0,0,0|2,0,0]=4 20261 B11R0.152 CCN(CCCO)CCCCO 2230a_100011217355_100000230001 [0,2,0,0,0,0|2,0,0]=4 20262 B11R0.152 CCN(CCCO)CCCCO 269982a_100011217355_100011215043 [0,2,0,0,0,0|2,0,0]=4 20263 B11R0.152 CCOCC(CN)OCCCO 34a_102515437182_100000230001 [0,2,0,0,0,0|2,0,0]=4 20264 B11R0.152 CCOCN(CC)CCCCO 269982a_100011217355_100000739092 [0,2,0,0,0,0|2,0,0]=4 20265 B11R0.152 CSCC[C@@H](CO)NCCCO 2230a_100011827619_100000230001 [0,2,0,0,0,0|2,0,0]=4 20266 B11R0.321 CC(C)(CCCBr)OCCCO 7a_100009888830_100011215043 [0,2,0,0,0,0|2,0,0]=4 20267 B11R0.321 CCCCC(C)(C)COCCC 7a_200011995781_100000210303 [0,2,0,0,0,0|2,0,0]=4 20268 B11R0.321 CCCCC(C)(C)COCCF 7a_200011995781_100011217306 [0,2,0,0,0,0|2,0,0]=4 20269 B11R0.321 CCCCC(C)(C)COCCO 7a_200011995781_100000211926 [0,2,0,0,0,0|1,0,0]=3 20270 B11R0.321 CCCCC(C)(C)OCCCF 7a_100011219641_100011934791 [0,2,0,0,0,0|2,0,0]=4 20271 B11R0.321 CCCCC(C)(C)OCCCO 7a_100011219641_100011215043 [0,2,0,0,0,0|1,0,0]=3 20272 B11R0.321 CCCCCS(=O)(=O)NCCO 270084a_100000210304_100000753860 [0,2,0,0,0,0|2,0,0]=4 20273 B11R0.321 CCCCCS(=O)(=O)NCCO 274078a_100000210304_100000753860 [0,2,0,0,0,0|2,0,0]=4 20274 B11R0.321 CCCCOC(C)(C)CCCBr 7a_100009888830_100000210211 [0,2,0,0,0,0|2,0,0]=4 20275 B11R0.321 CCCCOC(C)(C)CCCC 7a_100011219641_100000210211 [0,2,0,0,0,0|2,0,0]=4 20276 B11R0.321 CCCCS(=O)(=O)NCCCO 270084a_100000182051_100000212082 [0,2,0,0,0,0|2,0,0]=4 20277 B11R0.321 CCCCS(=O)(=O)NCCCO 274078a_100000182051_100000212082 [0,2,0,0,0,0|2,0,0]=4 20278 B11R0.321 CCCCS(=O)(=O)NCCCO 40a_100000182051_100000054263 [0,2,0,0,0,0|2,0,0]=4 20279 B11R0.321 CCCC[Si](C)(C)CSCCO 62a_100000211926_200000073895 [0,2,0,0,0,0|1,1,0]=4 20280 B11R0.321 CCCC[Si](C)(C)CSCCO 62a_200000073895_100000211926 [0,2,0,0,0,0|1,1,0]=4 20281 B9R1.4 CCN1CCC1COC 2230a_100015195929_100000210202 [1,0,0,1,0,0|2,0,0]=4 20282 B9R1.4 CCN1CCC1COC 269982a_100015195929_100000204670 [1,0,0,1,0,0|2,0,0]=4 20283 B9R1.4 CCN1CCC1COC 34a_100015195929_100000210202 [1,0,0,1,0,0|2,0,0]=4 20284 B9R1.8 CCCN1CCCOC1 2230a_100000131196_100000210303 [1,0,0,1,0,0|2,0,0]=4 20285 B9R1.8 CCCN1CCCOC1 269982a_100000131196_100000210303 [1,0,0,1,0,0|2,0,0]=4 20286 B9R1.8 CCCN1CCCOC1 34a_100000131196_100000210303 [1,0,0,1,0,0|2,0,0]=4 20287 B9R1.8 CCCN1CCOCC1 2230a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 20288 B9R1.8 CCCN1CCOCC1 269982a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 20289 B9R1.8 CCCN1CCOCC1 34a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 20290 B9R1.8 CCCN1CCSCC1 2230a_100000737611_100000210303 [1,0,0,1,0,0|2,0,0]=4 20291 B9R1.8 CCCN1CCSCC1 269982a_100000737611_100000210303 [1,0,0,1,0,0|2,0,0]=4 20292 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [1,0,0,1,0,0|1,0,0]=3 20293 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [1,0,0,1,0,0|1,0,0]=3 20294 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [1,0,0,1,0,0|1,0,0]=3 20295 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [1,0,0,1,0,0|2,0,0]=4 20296 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [1,0,0,1,0,0|2,0,0]=4 20297 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [1,0,0,1,0,0|2,0,0]=4 20298 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [1,0,0,1,0,0|2,0,0]=4 20299 B9R1.8 CCNC1CCNCC1 270004a_100015525214_100015192401 [1,0,0,1,0,0|2,0,0]=4 20300 B9R1.8 CCNC1CCOCC1 2230a_100000741149_100000210202 [1,0,0,1,0,0|2,0,0]=4 20301 B9R1.8 CCNC1CCOCC1 270004a_100015525214_100011217826 [1,0,0,1,0,0|2,0,0]=4 20302 B9R1.8 CCNC1CCOCC1 34a_100000741149_100000210202 [1,0,0,1,0,0|2,0,0]=4 20303 B9R1.8 CCNC1CCSCC1 2230a_100000748639_100000210202 [1,0,0,1,0,0|2,0,0]=4 20304 B9R1.8 CCNC1CCSCC1 270004a_100015525214_100000203788 [1,0,0,1,0,0|2,0,0]=4 20305 B9R1.8 CCNC1CCSCC1 34a_100000748639_100000210202 [1,0,0,1,0,0|2,0,0]=4 20306 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [1,0,0,1,0,0|1,0,0]=3 20307 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [1,0,0,1,0,0|1,0,0]=3 20308 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [1,0,0,1,0,0|1,0,0]=3 20309 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,1,0,0|1,0,0]=3 20310 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [1,0,0,1,0,0|2,0,0]=4 20311 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [1,0,0,1,0,0|2,0,0]=4 20312 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [1,0,0,1,0,0|2,0,0]=4 20313 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [1,0,0,1,0,0|2,0,0]=4 20314 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [1,0,0,1,0,0|2,0,0]=4 20315 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [1,0,0,1,0,0|2,0,0]=4 20316 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [1,0,0,1,0,0|2,0,0]=4 20317 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [1,0,0,1,0,0|1,0,0]=3 20318 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [1,0,0,1,0,0|1,0,0]=3 20319 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [1,0,0,1,0,0|2,0,0]=4 20320 B9R1.8 CCSC1CCOCC1 62a_100000210202_100011324220 [1,0,0,1,0,0|2,0,0]=4 20321 B9R1.8 CCSC1CCSCC1 62a_100000210202_100000069128 [1,0,0,1,0,0|2,0,0]=4 20322 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [1,0,0,1,0,0|1,0,0]=3 20323 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [1,0,0,1,0,0|1,0,0]=3 20324 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [1,0,0,1,0,0|1,0,0]=3 20325 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [1,0,0,1,0,0|1,0,0]=3 20326 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [1,0,0,1,0,0|1,0,0]=3 20327 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [1,0,0,1,0,0|1,0,0]=3 20328 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [1,0,0,1,0,0|1,0,0]=3 20329 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [1,0,0,1,0,0|1,0,0]=3 20330 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [1,0,0,1,0,0|1,0,0]=3 20331 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [1,0,0,1,0,0|1,0,0]=3 20332 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [1,0,0,1,0,0|1,0,0]=3 20333 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [1,0,0,1,0,0|2,0,0]=4 20334 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [1,0,0,1,0,0|2,0,0]=4 20335 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [1,0,0,1,0,0|2,0,0]=4 20336 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [1,0,0,1,0,0|2,0,0]=4 20337 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [1,0,0,1,0,0|2,0,0]=4 20338 B9R1.8 CNCC1CCOCC1 2230a_100000746373_200000210301 [1,0,0,1,0,0|2,0,0]=4 20339 B9R1.8 CNCC1CCOCC1 2230a_106832991635_100000754603 [1,0,0,1,0,0|2,0,0]=4 20340 B9R1.8 CNCC1CCOCC1 269862a_106832991636_100000749017 [1,0,0,1,0,0|2,0,0]=4 20341 B9R1.8 CNCC1CCOCC1 34a_100000746373_200000210301 [1,0,0,1,0,0|2,0,0]=4 20342 B9R1.8 CNCC1CCOCC1 34a_100102657272_100000754603 [1,0,0,1,0,0|2,0,0]=4 20343 B9R1.8 CNCC1CCOCC1 7a_106832991635_100000754603 [1,0,0,1,0,0|2,0,0]=4 20344 B9R1.8 CNCC1CCSCC1 2230a_100015188806_200000210301 [1,0,0,1,0,0|2,0,0]=4 20345 B9R1.8 CNCC1CCSCC1 269862a_106832991636_100000067145 [1,0,0,1,0,0|2,0,0]=4 20346 B9R1.8 CNCC1CCSCC1 270004a_106832991635_100000067145 [1,0,0,1,0,0|2,0,0]=4 20347 B9R1.8 CNCC1CCSCC1 34a_100015188806_200000210301 [1,0,0,1,0,0|2,0,0]=4 20348 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [1,0,0,1,0,0|2,0,0]=4 20349 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [1,0,0,1,0,0|2,0,0]=4 20350 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [1,0,0,1,0,0|1,0,0]=3 20351 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [1,0,0,1,0,0|1,0,0]=3 20352 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [1,0,0,1,0,0|1,0,0]=3 20353 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [1,0,0,1,0,0|2,0,0]=4 20354 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [1,0,0,1,0,0|1,0,0]=3 20355 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [1,0,0,1,0,0|1,0,0]=3 20356 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [1,0,0,1,0,0|1,0,0]=3 20357 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [1,0,0,1,0,0|2,0,0]=4 20358 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [1,0,0,1,0,0|2,0,0]=4 20359 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [1,0,0,1,0,0|2,0,0]=4 20360 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [1,0,0,1,0,0|2,0,0]=4 20361 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [1,0,0,1,0,0|2,0,0]=4 20362 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [1,0,0,1,0,0|2,0,0]=4 20363 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [1,0,0,1,0,0|2,0,0]=4 20364 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [1,0,0,1,0,0|2,0,0]=4 20365 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [1,0,0,1,0,0|2,0,0]=4 20366 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [1,0,0,1,0,0|2,0,0]=4 20367 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [1,0,0,1,0,0|1,0,0]=3 20368 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [1,0,0,1,0,0|1,0,0]=3 20369 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [1,0,0,1,0,0|1,0,0]=3 20370 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [1,0,0,1,0,0|1,0,0]=3 20371 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [1,0,0,1,0,0|2,0,0]=4 20372 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [1,0,0,1,0,0|2,0,0]=4 20373 B9R1.8 CSCC1CCOCC1 62a_100000754603_200000210301 [1,0,0,1,0,0|2,0,0]=4 20374 B9R1.8 CSCC1CCOCC1 62a_200000210301_100000749018 [1,0,0,1,0,0|2,0,0]=4 20375 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [1,0,0,1,0,0|2,0,0]=4 20376 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [1,0,0,1,0,0|2,0,0]=4 20377 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [1,0,0,1,0,0|2,0,0]=4 20378 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [1,0,0,1,0,0|2,0,0]=4 20379 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [1,0,0,1,0,0|2,0,0]=4 20380 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [1,0,0,1,0,0|2,0,0]=4 20381 B9R1.8 OCCN1CCCOC1 2230a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 20382 B9R1.8 OCCN1CCCOC1 269982a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 20383 B9R1.8 OCCN1CCCOC1 34a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 20384 B9R1.8 OCCN1CCOCC1 2230a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 20385 B9R1.8 OCCN1CCOCC1 269982a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 20386 B9R1.8 OCCN1CCOCC1 34a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 20387 B9R1.8 OCCN1CCSCC1 2230a_100000737611_100000211926 [1,0,0,1,0,0|2,0,0]=4 20388 B9R1.8 OCCN1CCSCC1 269982a_100000737611_100000211926 [1,0,0,1,0,0|2,0,0]=4 20389 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [1,0,0,1,0,0|1,0,0]=3 20390 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [1,0,0,1,0,0|1,0,0]=3 20391 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [1,0,0,1,0,0|1,0,0]=3 20392 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [1,0,0,1,0,0|1,0,0]=3 20393 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [1,0,0,1,0,0|2,0,0]=4 20394 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [1,0,0,1,0,0|2,0,0]=4 20395 B9R1.8 [13CH3]NCC1CCOCC1 2230a_100000746373_200025704644 [1,0,0,1,0,0|2,0,0]=4 20396 B9R1.8 [13CH3]NCC1CCOCC1 34a_100000746373_200025704644 [1,0,0,1,0,0|2,0,0]=4 20397 B9R1.8 [13CH3]NCC1CCSCC1 2230a_100015188806_200025704644 [1,0,0,1,0,0|2,0,0]=4 20398 B9R1.8 [13CH3]NCC1CCSCC1 34a_100015188806_200025704644 [1,0,0,1,0,0|2,0,0]=4 20399 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [1,0,0,1,0,0|2,0,0]=4 20400 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [1,0,0,1,0,0|2,0,0]=4 20401 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [1,0,0,1,0,0|1,0,0]=3 20402 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [1,0,0,1,0,0|1,0,0]=3 20403 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [1,0,0,1,0,0|2,0,0]=4 20404 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [1,0,0,1,0,0|1,0,0]=3 20405 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [1,0,0,1,0,0|1,0,0]=3 20406 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [1,0,0,1,0,0|2,0,0]=4 20407 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [1,0,0,1,0,0|2,0,0]=4 20408 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [1,0,0,1,0,0|2,0,0]=4 20409 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [1,0,0,1,0,0|2,0,0]=4 20410 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [1,0,0,1,0,0|2,0,0]=4 20411 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [1,0,0,1,0,0|2,0,0]=4 20412 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [1,0,0,1,0,0|2,0,0]=4 20413 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [1,0,0,1,0,0|2,0,0]=4 20414 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [1,0,0,1,0,0|1,0,0]=3 20415 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [1,0,0,1,0,0|1,0,0]=3 20416 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [1,0,0,1,0,0|1,0,0]=3 20417 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [1,0,0,1,0,0|1,0,0]=3 20418 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [1,0,0,1,0,0|2,0,0]=4 20419 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [1,0,0,1,0,0|2,0,0]=4 20420 B9R1.8 [13CH3]SCC1CCOCC1 62a_100000754603_200025704644 [1,0,0,1,0,0|2,0,0]=4 20421 B9R1.8 [13CH3]SCC1CCOCC1 62a_200025704644_100000749018 [1,0,0,1,0,0|2,0,0]=4 20422 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [1,0,0,1,0,0|2,0,0]=4 20423 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [1,0,0,1,0,0|1,0,0]=3 20424 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [1,0,0,1,0,0|1,0,0]=3 20425 B9R1.12 CCCCN1CCSC1 2230a_100011215254_100000210211 [1,0,0,1,0,0|2,0,0]=4 20426 B9R1.12 CCCCN1CCSC1 269982a_100011215254_100000210211 [1,0,0,1,0,0|2,0,0]=4 20427 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [1,0,0,1,0,0|1,0,0]=3 20428 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [1,0,0,1,0,0|1,0,0]=3 20429 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [1,0,0,1,0,0|1,0,0]=3 20430 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [1,0,0,1,0,0|2,0,0]=4 20431 B9R1.12 CCCNC1CCSC1 270004a_100020643023_100000212027 [1,0,0,1,0,0|2,0,0]=4 20432 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [1,0,0,1,0,0|2,0,0]=4 20433 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [1,0,0,1,0,0|2,0,0]=4 20434 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [1,0,0,1,0,0|2,0,0]=4 20435 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [1,0,0,1,0,0|1,0,0]=3 20436 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [1,0,0,1,0,0|1,0,0]=3 20437 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [1,0,0,1,0,0|1,0,0]=3 20438 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [1,0,0,1,0,0|1,0,0]=3 20439 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [1,0,0,1,0,0|2,0,0]=4 20440 B9R1.12 CCCOC1CCSC1 7a_100011232664_100000210303 [1,0,0,1,0,0|2,0,0]=4 20441 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [1,0,0,1,0,0|2,0,0]=4 20442 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [1,0,0,1,0,0|1,0,0]=3 20443 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [1,0,0,1,0,0|1,0,0]=3 20444 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [1,0,0,1,0,0|2,0,0]=4 20445 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [1,0,0,1,0,0|1,0,0]=3 20446 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [1,0,0,1,0,0|1,0,0]=3 20447 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [1,0,0,1,0,0|1,0,0]=3 20448 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [1,0,0,1,0,0|1,0,0]=3 20449 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [1,0,0,1,0,0|1,0,0]=3 20450 B9R1.12 CCNCC1CCOC1 2230a_100000737293_100000210202 [1,0,0,1,0,0|2,0,0]=4 20451 B9R1.12 CCNCC1CCOC1 2230a_100015525214_100000702531 [1,0,0,1,0,0|2,0,0]=4 20452 B9R1.12 CCNCC1CCOC1 34a_100000737293_100000210202 [1,0,0,1,0,0|2,0,0]=4 20453 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [1,0,0,1,0,0|2,0,0]=4 20454 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [1,0,0,1,0,0|2,0,0]=4 20455 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [1,0,0,1,0,0|2,0,0]=4 20456 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [1,0,0,1,0,0|1,0,0]=3 20457 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [1,0,0,1,0,0|1,0,0]=3 20458 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [1,0,0,1,0,0|1,0,0]=3 20459 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [1,0,0,1,0,0|1,0,0]=3 20460 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [1,0,0,1,0,0|1,0,0]=3 20461 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,0,0,1,0,0|1,0,0]=3 20462 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,0,0,1,0,0|1,0,0]=3 20463 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [1,0,0,1,0,0|2,0,0]=4 20464 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [1,0,0,1,0,0|2,0,0]=4 20465 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [1,0,0,1,0,0|2,0,0]=4 20466 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [1,0,0,1,0,0|2,0,0]=4 20467 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [1,0,0,1,0,0|2,0,0]=4 20468 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [1,0,0,1,0,0|2,0,0]=4 20469 B9R1.12 CCOCN1CCCC1 269982a_100000188435_100000739092 [1,0,0,1,0,0|2,0,0]=4 20470 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [1,0,0,1,0,0|2,0,0]=4 20471 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [1,0,0,1,0,0|1,0,0]=3 20472 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [1,0,0,1,0,0|1,0,0]=3 20473 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [1,0,0,1,0,0|1,0,0]=3 20474 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [1,0,0,1,0,0|1,0,0]=3 20475 B9R1.12 CCSCC1CCOC1 62a_100000210202_100000702531 [1,0,0,1,0,0|2,0,0]=4 20476 B9R1.12 CCSCC1CCOC1 62a_100000702531_100000210202 [1,0,0,1,0,0|2,0,0]=4 20477 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [1,0,0,1,0,0|2,0,0]=4 20478 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [1,0,0,1,0,0|2,0,0]=4 20479 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [1,0,0,1,0,0|1,0,0]=3 20480 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [1,0,0,1,0,0|1,0,0]=3 20481 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [1,0,0,1,0,0|1,0,0]=3 20482 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [1,0,0,1,0,0|1,0,0]=3 20483 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [1,0,0,1,0,0|1,0,0]=3 20484 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [1,0,0,1,0,0|2,0,0]=4 20485 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [1,0,0,1,0,0|2,0,0]=4 20486 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [1,0,0,1,0,0|2,0,0]=4 20487 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [1,0,0,1,0,0|2,0,0]=4 20488 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [1,0,0,1,0,0|2,0,0]=4 20489 B9R1.12 CNCCN1CCCC1 7a_106832991635_100000004467 [1,0,0,1,0,0|2,0,0]=4 20490 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [1,0,0,1,0,0|1,0,0]=3 20491 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [1,0,0,1,0,0|1,0,0]=3 20492 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [1,0,0,1,0,0|1,0,0]=3 20493 B9R1.12 COCCC1CCNC1 34a_100016987287_200000210301 [1,0,0,1,0,0|2,0,0]=4 20494 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [1,0,0,1,0,0|2,0,0]=4 20495 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [1,0,0,1,0,0|2,0,0]=4 20496 B9R1.12 COCCN1CCCC1 2230a_100000188435_100011201679 [1,0,0,1,0,0|2,0,0]=4 20497 B9R1.12 COCCN1CCCC1 269982a_100000188435_100000233755 [1,0,0,1,0,0|2,0,0]=4 20498 B9R1.12 COCNC1CCCC1 2230a_100000211070_100000766300 [1,0,0,1,0,0|2,0,0]=4 20499 B9R1.12 COCSC1CCCC1 62a_100000766300_100000179811 [1,0,0,1,0,0|2,0,0]=4 20500 B9R1.12 COCSC1CCCC1 62a_100011217020_100000766300 [1,0,0,1,0,0|2,0,0]=4 20501 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [1,0,0,1,0,0|1,0,0]=3 20502 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [1,0,0,1,0,0|1,0,0]=3 20503 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [1,0,0,1,0,0|2,0,0]=4 20504 B9R1.12 CSCCN1CCCC1 2230a_100000188435_100000751147 [1,0,0,1,0,0|2,0,0]=4 20505 B9R1.12 CSCCN1CCCC1 269982a_100000188435_100000212216 [1,0,0,1,0,0|2,0,0]=4 20506 B9R1.12 CSCCN1CCCC1 62a_100000700749_200000210301 [1,0,0,1,0,0|2,0,0]=4 20507 B9R1.12 CSCCN1CCCC1 62a_200000210301_100000004467 [1,0,0,1,0,0|2,0,0]=4 20508 B9R1.12 CSCNC1CCCC1 2230a_100000211070_100011218213 [1,0,0,1,0,0|2,0,0]=4 20509 B9R1.12 CSCNC1CCCC1 34a_100000211070_100011218213 [1,0,0,1,0,0|2,0,0]=4 20510 B9R1.12 CSCOC1CCCC1 34a_100000210269_100011218213 [1,0,0,1,0,0|2,0,0]=4 20511 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [1,0,0,1,0,0|2,0,0]=4 20512 B9R1.12 CSCSC1CCCC1 62a_100011217020_100011218213 [1,0,0,1,0,0|2,0,0]=4 20513 B9R1.12 CSCSC1CCCC1 62a_100011218213_100000179811 [1,0,0,1,0,0|2,0,0]=4 20514 B9R1.12 FCCCN1CCCC1 2230a_100000188435_100011934791 [1,0,0,1,0,0|2,0,0]=4 20515 B9R1.12 FCCCN1CCCC1 269982a_100000188435_100011934791 [1,0,0,1,0,0|2,0,0]=4 20516 B9R1.12 FCCNC1CCCC1 2230a_100000211070_100011217306 [1,0,0,1,0,0|2,0,0]=4 20517 B9R1.12 FCCNC1CCCC1 34a_100000211070_100011217306 [1,0,0,1,0,0|2,0,0]=4 20518 B9R1.12 FCCNC1CCCC1 34a_100000724931_100000179811 [1,0,0,1,0,0|2,0,0]=4 20519 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [1,0,0,1,0,0|2,0,0]=4 20520 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [1,0,0,1,0,0|2,0,0]=4 20521 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [1,0,0,1,0,0|2,0,0]=4 20522 B9R1.12 FCCSC1CCCC1 62a_100011217020_100011217306 [1,0,0,1,0,0|2,0,0]=4 20523 B9R1.12 FCCSC1CCCC1 62a_100011217306_100000179811 [1,0,0,1,0,0|2,0,0]=4 20524 B9R1.12 FCNCC1CCCC1 34a_100000737975_100015361967 [1,0,0,1,0,0|2,0,0]=4 20525 B9R1.12 FCNC[C@@H]1CCCO1 34a_100020590478_100015361967 [1,0,0,1,0,0|2,0,0]=4 20526 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [1,0,0,1,0,0|2,0,0]=4 20527 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [1,0,0,1,0,0|2,0,0]=4 20528 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [1,0,0,1,0,0|2,0,0]=4 20529 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [1,0,0,1,0,0|2,0,0]=4 20530 B9R1.12 FCSCC1CCCC1 62a_100000740388_100015361967 [1,0,0,1,0,0|2,0,0]=4 20531 B9R1.12 FCSCC1CCCC1 62a_100015361967_100000740388 [1,0,0,1,0,0|2,0,0]=4 20532 B9R1.12 FCSCC1CCCO1 62a_100000203698_100015361967 [1,0,0,1,0,0|2,0,0]=4 20533 B9R1.12 FCSCC1CCCO1 62a_100015361967_100000203698 [1,0,0,1,0,0|2,0,0]=4 20534 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [1,0,0,1,0,0|2,0,0]=4 20535 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [1,0,0,1,0,0|1,0,0]=3 20536 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [1,0,0,1,0,0|1,0,0]=3 20537 B9R1.12 OCCCN1CCSC1 2230a_100011215254_100000230001 [1,0,0,1,0,0|2,0,0]=4 20538 B9R1.12 OCCCN1CCSC1 269982a_100011215254_100011215043 [1,0,0,1,0,0|2,0,0]=4 20539 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [1,0,0,1,0,0|1,0,0]=3 20540 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [1,0,0,1,0,0|1,0,0]=3 20541 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [1,0,0,1,0,0|1,0,0]=3 20542 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [1,0,0,1,0,0|1,0,0]=3 20543 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [1,0,0,1,0,0|1,0,0]=3 20544 B9R1.12 OCCNC1CCOC1 2230a_100016997473_100000731011 [1,0,0,1,0,0|2,0,0]=4 20545 B9R1.12 OCCNC1CCOC1 270004a_100000210304_100000752484 [1,0,0,1,0,0|2,0,0]=4 20546 B9R1.12 OCCNC1CCOC1 34a_100016990907_100000690089 [1,0,0,1,0,0|2,0,0]=4 20547 B9R1.12 OCCNC1CCSC1 270004a_100000210304_100000212027 [1,0,0,1,0,0|2,0,0]=4 20548 B9R1.12 OCCN[C@@H]1CCOC1 2230a_200015188469_100000211926 [1,0,0,1,0,0|2,0,0]=4 20549 B9R1.12 OCCN[C@H]1CCOC1 2230a_100015188467_100000211926 [1,0,0,1,0,0|2,0,0]=4 20550 B9R1.12 OCCN[C@H]1CCOC1 34a_100015188467_100000211926 [1,0,0,1,0,0|2,0,0]=4 20551 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [1,0,0,1,0,0|1,0,0]=3 20552 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [1,0,0,1,0,0|1,0,0]=3 20553 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [1,0,0,1,0,0|2,0,0]=4 20554 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [1,0,0,1,0,0|2,0,0]=4 20555 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [1,0,0,1,0,0|2,0,0]=4 20556 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [1,0,0,1,0,0|1,0,0]=3 20557 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [1,0,0,1,0,0|1,0,0]=3 20558 B9R1.12 OCCSC1CCOC1 62a_100000211926_100000690089 [1,0,0,1,0,0|2,0,0]=4 20559 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [1,0,0,1,0,0|1,0,0]=3 20560 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [1,0,0,1,0,0|1,0,0]=3 20561 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [1,0,0,1,0,0|2,0,0]=4 20562 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [1,0,0,1,0,0|2,0,0]=4 20563 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [1,0,0,1,0,0|1,0,0]=3 20564 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [1,0,0,1,0,0|1,0,0]=3 20565 B9R1.12 [13CH3]OCCC1CCNC1 34a_100016987287_200025704644 [1,0,0,1,0,0|2,0,0]=4 20566 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [1,0,0,1,0,0|2,0,0]=4 20567 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [1,0,0,1,0,0|1,0,0]=3 20568 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [1,0,0,1,0,0|1,0,0]=3 20569 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [1,0,0,1,0,0|2,0,0]=4 20570 B9R1.12 [13CH3]SCCN1CCCC1 62a_100000700749_200025704644 [1,0,0,1,0,0|2,0,0]=4 20571 B9R1.12 [13CH3]SCCN1CCCC1 62a_200025704644_100000004467 [1,0,0,1,0,0|2,0,0]=4 20572 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [1,0,0,1,0,0|1,0,0]=3 20573 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [1,0,0,1,0,0|1,0,0]=3 20574 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [1,0,0,1,0,0|1,0,0]=3 20575 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [1,0,0,1,0,0|1,0,0]=3 20576 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [1,0,0,1,0,0|1,0,0]=3 20577 B9R1.14 CCC1CCCN1CF 269982a_100000754278_100015361967 [1,0,0,1,0,0|2,0,0]=4 20578 B9R1.14 CCC1CCCN1CF 34a_100000754278_100015361967 [1,0,0,1,0,0|2,0,0]=4 20579 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [1,0,0,1,0,0|1,0,0]=3 20580 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [1,0,0,1,0,0|1,0,0]=3 20581 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [1,0,0,1,0,0|1,0,0]=3 20582 B9R1.14 OC[C@H]1CCCN1CF 269982a_100000745186_100015361967 [1,0,0,1,0,0|2,0,0]=4 20583 B9R1.14 OC[C@H]1CCCN1CF 34a_100000745186_100015361967 [1,0,0,1,0,0|2,0,0]=4 20584 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [1,0,0,1,0,0|1,0,0]=3 20585 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [1,0,0,1,0,0|1,0,0]=3 20586 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [1,0,0,1,0,0|1,0,0]=3 20587 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [1,0,0,1,0,0|1,0,0]=3 20588 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [1,0,0,1,0,0|2,0,0]=4 20589 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [1,0,0,1,0,0|2,0,0]=4 20590 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [1,0,0,1,0,0|2,0,0]=4 20591 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [1,0,0,1,0,0|2,0,0]=4 20592 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [1,0,0,1,0,0|1,0,0]=3 20593 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [1,0,0,1,0,0|1,0,0]=3 20594 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [1,0,0,1,0,0|1,0,0]=3 20595 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [1,0,0,1,0,0|1,0,0]=3 20596 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [1,0,0,1,0,0|1,0,0]=3 20597 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [1,0,0,1,0,0|1,0,0]=3 20598 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [1,0,0,1,0,0|1,0,0]=3 20599 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [1,0,0,1,0,0|1,0,0]=3 20600 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [1,0,0,1,0,0|1,0,0]=3 20601 B9R1.15 CCN1CCOC[C@@H]1C 2230a_100009815349_100000210202 [1,0,0,1,0,0|2,0,0]=4 20602 B9R1.15 CCN1CCOC[C@@H]1C 269982a_100009815349_100000204670 [1,0,0,1,0,0|2,0,0]=4 20603 B9R1.15 CCN1CCOC[C@@H]1C 34a_100009815349_100000210202 [1,0,0,1,0,0|2,0,0]=4 20604 B9R1.15 CC[C@H]1COCCN1C 2230a_100016988097_200000210301 [1,0,0,1,0,0|2,0,0]=4 20605 B9R1.15 CC[C@H]1COCCN1C 269982a_100016988097_200000210301 [1,0,0,1,0,0|2,0,0]=4 20606 B9R1.15 CC[C@H]1COCCN1C 34a_100016988097_200000210301 [1,0,0,1,0,0|2,0,0]=4 20607 B9R1.15 CC[C@H]1COCCN1[13CH3] 2230a_100016988097_200025704644 [1,0,0,1,0,0|2,0,0]=4 20608 B9R1.15 CC[C@H]1COCCN1[13CH3] 269982a_100016988097_200025704644 [1,0,0,1,0,0|2,0,0]=4 20609 B9R1.15 CC[C@H]1COCCN1[13CH3] 34a_100016988097_200025704644 [1,0,0,1,0,0|2,0,0]=4 20610 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [1,0,0,1,0,0|1,0,0]=3 20611 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [1,0,0,1,0,0|1,0,0]=3 20612 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [1,0,0,1,0,0|1,0,0]=3 20613 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 20614 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 20615 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 20616 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [1,0,0,1,0,0|1,0,0]=3 20617 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [1,0,0,1,0,0|1,0,0]=3 20618 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [1,0,0,1,0,0|1,0,0]=3 20619 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [1,0,0,1,0,0|1,0,0]=3 20620 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [1,0,0,1,0,0|2,0,0]=4 20621 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,0,0,1,0,0|1,0,0]=3 20622 B9R1.15 CNC1CCNCC1C 270004a_106832991635_100000703950 [1,0,0,1,0,0|2,0,0]=4 20623 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [1,0,0,1,0,0|2,0,0]=4 20624 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [1,0,0,1,0,0|2,0,0]=4 20625 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [1,0,0,1,0,0|2,0,0]=4 20626 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [1,0,0,1,0,0|2,0,0]=4 20627 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [1,0,0,1,0,0|2,0,0]=4 20628 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [1,0,0,1,0,0|1,0,0]=3 20629 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [1,0,0,1,0,0|1,0,0]=3 20630 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [1,0,0,1,0,0|2,0,0]=4 20631 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [1,0,0,1,0,0|2,0,0]=4 20632 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [1,0,0,1,0,0|2,0,0]=4 20633 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,0,0,1,0,0|1,0,0]=3 20634 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [1,0,0,1,0,0|2,0,0]=4 20635 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [1,0,0,1,0,0|2,0,0]=4 20636 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [1,0,0,1,0,0|2,0,0]=4 20637 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [1,0,0,1,0,0|2,0,0]=4 20638 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [1,0,0,1,0,0|2,0,0]=4 20639 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [1,0,0,1,0,0|2,0,0]=4 20640 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [1,0,0,1,0,0|2,0,0]=4 20641 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,0,0,1,0,0|1,0,0]=3 20642 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,0,0,1,0,0|1,0,0]=3 20643 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [1,0,0,1,0,0|1,0,0]=3 20644 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [1,0,0,1,0,0|1,0,0]=3 20645 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [1,0,0,1,0,0|1,0,0]=3 20646 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 20647 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 20648 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 20649 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [1,0,0,1,0,0|2,0,0]=4 20650 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [1,0,0,1,0,0|2,0,0]=4 20651 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [1,0,0,1,0,0|2,0,0]=4 20652 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [1,0,0,1,0,0|2,0,0]=4 20653 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [1,0,0,1,0,0|2,0,0]=4 20654 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [1,0,0,1,0,0|2,0,0]=4 20655 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [1,0,0,1,0,0|2,0,0]=4 20656 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [1,0,0,1,0,0|2,0,0]=4 20657 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [1,0,0,1,0,0|2,0,0]=4 20658 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [1,0,0,1,0,0|2,0,0]=4 20659 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [1,0,0,1,0,0|2,0,0]=4 20660 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,0,0,1,0,0|1,0,0]=3 20661 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,0,0,1,0,0|1,0,0]=3 20662 B9R1.16 CC1CC1COCCF 34a_100000744939_100011217306 [1,0,0,1,0,0|2,0,0]=4 20663 B9R1.16 CC1CC1COCCF 7a_100000744939_100011217306 [1,0,0,1,0,0|2,0,0]=4 20664 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [1,0,0,1,0,0|1,0,0]=3 20665 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [1,0,0,1,0,0|1,0,0]=3 20666 B9R1.16 CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210211 [1,0,0,1,0,0|2,0,0]=4 20667 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210211 [1,0,0,1,0,0|2,0,0]=4 20668 B9R1.16 CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210210 [1,0,0,1,0,0|2,0,0]=4 20669 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [1,0,0,1,0,0|1,0,0]=3 20670 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [1,0,0,1,0,0|1,0,0]=3 20671 B9R1.16 CSCOCC1CC1C 34a_100000744939_100011218213 [1,0,0,1,0,0|2,0,0]=4 20672 B9R1.16 OCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000230001 [1,0,0,1,0,0|2,0,0]=4 20673 B9R1.16 OCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000230001 [1,0,0,1,0,0|2,0,0]=4 20674 B9R1.16 OCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000230001 [1,0,0,1,0,0|2,0,0]=4 20675 B9R1.17 BrCCCOC1CCC1 34a_100011217188_100000749161 [1,0,0,1,0,0|2,0,0]=4 20676 B9R1.17 BrCCOCC1CCC1 34a_100000211926_100000763275 [1,0,0,1,0,0|2,0,0]=4 20677 B9R1.17 BrCCOCC1CCO1 34a_100000211926_100000103362 [1,0,0,1,0,0|2,0,0]=4 20678 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [1,0,0,1,0,0|1,0,0]=3 20679 B9R1.17 CCCCNC1CCC1 2230a_100000749019_100000210211 [1,0,0,1,0,0|1,0,0]=3 20680 B9R1.17 CCCCNC1CCC1 270004a_100000102301_100000241760 [1,0,0,1,0,0|1,0,0]=3 20681 B9R1.17 CCCCNC1CCC1 34a_100000749019_100000210210 [1,0,0,1,0,0|1,0,0]=3 20682 B9R1.17 CCCCNC1COC1 2230a_100016991112_100000210211 [1,0,0,1,0,0|2,0,0]=4 20683 B9R1.17 CCCCNC1COC1 7a_106832991798_100009818527 [1,0,0,1,0,0|2,0,0]=4 20684 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [1,0,0,1,0,0|1,0,0]=3 20685 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [1,0,0,1,0,0|1,0,0]=3 20686 B9R1.17 CCCCOC1COC1 34a_100000210227_100009818527 [1,0,0,1,0,0|2,0,0]=4 20687 B9R1.17 CCCCOC1COC1 7a_100000210227_100009818527 [1,0,0,1,0,0|2,0,0]=4 20688 B9R1.17 CCCCOC1CSC1 7a_100000072292_100000210211 [1,0,0,1,0,0|2,0,0]=4 20689 B9R1.17 CCCCSC1CCC1 62a_100000210211_100000749161 [1,0,0,1,0,0|1,0,0]=3 20690 B9R1.17 CCCCSC1COC1 62a_100000210211_100009818527 [1,0,0,1,0,0|2,0,0]=4 20691 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [1,0,0,1,0,0|1,0,0]=3 20692 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [1,0,0,1,0,0|1,0,0]=3 20693 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [1,0,0,1,0,0|1,0,0]=3 20694 B9R1.17 CCCNCC1COC1 2230a_100015281925_100000210303 [1,0,0,1,0,0|2,0,0]=4 20695 B9R1.17 CCCNCC1COC1 34a_100015281925_100000210303 [1,0,0,1,0,0|2,0,0]=4 20696 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [1,0,0,1,0,0|1,0,0]=3 20697 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [1,0,0,1,0,0|1,0,0]=3 20698 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [1,0,0,1,0,0|1,0,0]=3 20699 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [1,0,0,1,0,0|1,0,0]=3 20700 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [1,0,0,1,0,0|1,0,0]=3 20701 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [1,0,0,1,0,0|1,0,0]=3 20702 B9R1.17 CCCOCC1CNC1 34a_100016987283_100000210303 [1,0,0,1,0,0|2,0,0]=4 20703 B9R1.17 CCCOCC1COC1 34a_100000060846_100000210303 [1,0,0,1,0,0|2,0,0]=4 20704 B9R1.17 CCCOCC1COC1 34a_100000210258_100010264016 [1,0,0,1,0,0|2,0,0]=4 20705 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [1,0,0,1,0,0|1,0,0]=3 20706 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [1,0,0,1,0,0|1,0,0]=3 20707 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [1,0,0,1,0,0|1,0,0]=3 20708 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [1,0,0,1,0,0|1,0,0]=3 20709 B9R1.17 CCCSCC1COC1 62a_100000210303_100010264016 [1,0,0,1,0,0|2,0,0]=4 20710 B9R1.17 CCCSCC1COC1 62a_100010264016_100000210303 [1,0,0,1,0,0|2,0,0]=4 20711 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [1,0,0,1,0,0|2,0,0]=4 20712 B9R1.17 CCOCCN1CCC1 269982a_100000754969_100011215890 [1,0,0,1,0,0|2,0,0]=4 20713 B9R1.17 CCOCSC1CCC1 62a_100000739092_100000749161 [1,0,0,1,0,0|2,0,0]=4 20714 B9R1.17 CCSCCN1CCC1 269982a_100000754969_100000757381 [1,0,0,1,0,0|2,0,0]=4 20715 B9R1.17 COCCCN1CCC1 269982a_100000754969_100000740836 [1,0,0,1,0,0|2,0,0]=4 20716 B9R1.17 COCCNC1CCC1 2230a_100000749019_100011201679 [1,0,0,1,0,0|2,0,0]=4 20717 B9R1.17 COCCNC1CCC1 270004a_100000209980_100000241760 [1,0,0,1,0,0|2,0,0]=4 20718 B9R1.17 COCCNC1CCC1 34a_100000749019_100011201679 [1,0,0,1,0,0|2,0,0]=4 20719 B9R1.17 COCCOC1CCC1 34a_100000210237_100000749161 [1,0,0,1,0,0|2,0,0]=4 20720 B9R1.17 COCCOC1CCC1 34a_100000748187_100011201679 [1,0,0,1,0,0|2,0,0]=4 20721 B9R1.17 COCCSC1CCC1 62a_100000233755_100000749161 [1,0,0,1,0,0|2,0,0]=4 20722 B9R1.17 COCNCC1CCC1 2230a_100000738700_100000766300 [1,0,0,1,0,0|2,0,0]=4 20723 B9R1.17 COCNC[C@@H]1CCO1 2230a_100020831831_100000766300 [1,0,0,1,0,0|2,0,0]=4 20724 B9R1.17 COCSCC1CCC1 62a_100000763275_100000766300 [1,0,0,1,0,0|2,0,0]=4 20725 B9R1.17 COCSCC1CCC1 62a_100000766300_100000763275 [1,0,0,1,0,0|2,0,0]=4 20726 B9R1.17 COCSCC1CCO1 62a_100000103362_100000766300 [1,0,0,1,0,0|2,0,0]=4 20727 B9R1.17 COCSCC1CCO1 62a_100000766300_100000103362 [1,0,0,1,0,0|2,0,0]=4 20728 B9R1.17 CSCCNC1CCC1 2230a_100000749019_100000751147 [1,0,0,1,0,0|2,0,0]=4 20729 B9R1.17 CSCCNC1CCC1 270004a_100020590264_100000241760 [1,0,0,1,0,0|2,0,0]=4 20730 B9R1.17 CSCCNC1CCC1 34a_100000749019_100000212216 [1,0,0,1,0,0|2,0,0]=4 20731 B9R1.17 CSCCOC1CCC1 34a_100000230434_100000749161 [1,0,0,1,0,0|2,0,0]=4 20732 B9R1.17 CSCCOC1CCC1 34a_100000748187_100000212216 [1,0,0,1,0,0|2,0,0]=4 20733 B9R1.17 CSCCSC1CCC1 62a_100000212216_100000749161 [1,0,0,1,0,0|2,0,0]=4 20734 B9R1.17 CSCNCC1CCC1 2230a_100000738700_100011218213 [1,0,0,1,0,0|2,0,0]=4 20735 B9R1.17 CSCNCC1CCC1 34a_100000738700_100011218213 [1,0,0,1,0,0|2,0,0]=4 20736 B9R1.17 CSCNC[C@@H]1CCO1 2230a_100020831831_100011218213 [1,0,0,1,0,0|2,0,0]=4 20737 B9R1.17 CSCNC[C@@H]1CCO1 34a_100020831831_100011218213 [1,0,0,1,0,0|2,0,0]=4 20738 B9R1.17 CSCOCC1CCC1 34a_100000760304_100011218213 [1,0,0,1,0,0|2,0,0]=4 20739 B9R1.17 CSCOCC1CCO1 34a_100000039022_100011218213 [1,0,0,1,0,0|2,0,0]=4 20740 B9R1.17 CSCSCC1CCC1 62a_100000763275_100011218213 [1,0,0,1,0,0|2,0,0]=4 20741 B9R1.17 CSCSCC1CCC1 62a_100011218213_100000763275 [1,0,0,1,0,0|2,0,0]=4 20742 B9R1.17 CSCSCC1CCO1 62a_100000103362_100011218213 [1,0,0,1,0,0|2,0,0]=4 20743 B9R1.17 CSCSCC1CCO1 62a_100011218213_100000103362 [1,0,0,1,0,0|2,0,0]=4 20744 B9R1.17 ClCCCOC1CCC1 34a_100000230001_100000749161 [1,0,0,1,0,0|2,0,0]=4 20745 B9R1.17 FCCCCN1CCC1 269982a_100000754969_100000729493 [1,0,0,1,0,0|2,0,0]=4 20746 B9R1.17 FCCCNC1CCC1 2230a_100000749019_100011934791 [1,0,0,1,0,0|2,0,0]=4 20747 B9R1.17 FCCCNC1CCC1 270004a_100015189416_100000241760 [1,0,0,1,0,0|2,0,0]=4 20748 B9R1.17 FCCCNC1CCC1 34a_100000749019_100011934791 [1,0,0,1,0,0|2,0,0]=4 20749 B9R1.17 FCCCNC1CCC1 34a_100015189416_100000749161 [1,0,0,1,0,0|2,0,0]=4 20750 B9R1.17 FCCCOC1CCC1 34a_100000748187_100011934791 [1,0,0,1,0,0|2,0,0]=4 20751 B9R1.17 FCCCOC1CCC1 34a_100000759539_100000749161 [1,0,0,1,0,0|2,0,0]=4 20752 B9R1.17 FCCCSC1CCC1 62a_100011934791_100000749161 [1,0,0,1,0,0|2,0,0]=4 20753 B9R1.17 FCCNCC1CCC1 2230a_100000738700_100011217306 [1,0,0,1,0,0|2,0,0]=4 20754 B9R1.17 FCCNCC1CCC1 269862a_100000724931_100000753134 [1,0,0,1,0,0|2,0,0]=4 20755 B9R1.17 FCCNCC1CCC1 34a_100000724931_100000763275 [1,0,0,1,0,0|2,0,0]=4 20756 B9R1.17 FCCNCC1CCC1 34a_100000738700_100011217306 [1,0,0,1,0,0|2,0,0]=4 20757 B9R1.17 FCCNCC1CCO1 34a_100000724931_100000103362 [1,0,0,1,0,0|2,0,0]=4 20758 B9R1.17 FCCNC[C@@H]1CCO1 2230a_100020831831_100011217306 [1,0,0,1,0,0|2,0,0]=4 20759 B9R1.17 FCCNC[C@@H]1CCO1 34a_100020831831_100011217306 [1,0,0,1,0,0|2,0,0]=4 20760 B9R1.17 FCCOCC1CCC1 34a_100000760304_100011217306 [1,0,0,1,0,0|2,0,0]=4 20761 B9R1.17 FCCOCC1CCO1 34a_100000039022_100011217306 [1,0,0,1,0,0|2,0,0]=4 20762 B9R1.17 FCCSCC1CCC1 62a_100000763275_100011217306 [1,0,0,1,0,0|2,0,0]=4 20763 B9R1.17 FCCSCC1CCC1 62a_100011217306_100000763275 [1,0,0,1,0,0|2,0,0]=4 20764 B9R1.17 FCCSCC1CCO1 62a_100000103362_100011217306 [1,0,0,1,0,0|2,0,0]=4 20765 B9R1.17 FCCSCC1CCO1 62a_100011217306_100000103362 [1,0,0,1,0,0|2,0,0]=4 20766 B9R1.17 NCCCOC1CCC1 34a_100000182051_100000749161 [1,0,0,1,0,0|2,0,0]=4 20767 B9R1.17 NCCOCC1CCC1 34a_100000210304_100000763275 [1,0,0,1,0,0|2,0,0]=4 20768 B9R1.17 NCCOCC1CCO1 34a_100000210304_100000103362 [1,0,0,1,0,0|2,0,0]=4 20769 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [1,0,0,1,0,0|1,0,0]=3 20770 B9R1.17 OCCCNC1CCC1 2230a_100000749019_100000230001 [1,0,0,1,0,0|1,0,0]=3 20771 B9R1.17 OCCCNC1CCC1 270004a_100000182051_100000241760 [1,0,0,1,0,0|1,0,0]=3 20772 B9R1.17 OCCCNC1CCC1 34a_100000749019_100000230001 [1,0,0,1,0,0|1,0,0]=3 20773 B9R1.17 OCCCNC1COC1 2230a_100016991112_100000230001 [1,0,0,1,0,0|2,0,0]=4 20774 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [1,0,0,1,0,0|1,0,0]=3 20775 B9R1.17 OCCCOC1CSC1 7a_100000072292_100011215043 [1,0,0,1,0,0|2,0,0]=4 20776 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [1,0,0,1,0,0|1,0,0]=3 20777 B9R1.17 OCCCSC1COC1 62a_100011215043_100009818527 [1,0,0,1,0,0|2,0,0]=4 20778 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [1,0,0,1,0,0|1,0,0]=3 20779 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [1,0,0,1,0,0|1,0,0]=3 20780 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [1,0,0,1,0,0|1,0,0]=3 20781 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [1,0,0,1,0,0|1,0,0]=3 20782 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [1,0,0,1,0,0|1,0,0]=3 20783 B9R1.17 OCCNCC1CCO1 2230a_100016997473_100000103362 [1,0,0,1,0,0|2,0,0]=4 20784 B9R1.17 OCCNCC1CCO1 34a_100016990907_100000103362 [1,0,0,1,0,0|2,0,0]=4 20785 B9R1.17 OCCNCC1COC1 2230a_100015281925_100000211926 [1,0,0,1,0,0|2,0,0]=4 20786 B9R1.17 OCCNCC1COC1 2230a_100016997473_100010264016 [1,0,0,1,0,0|2,0,0]=4 20787 B9R1.17 OCCNCC1COC1 34a_100015281925_100000211926 [1,0,0,1,0,0|2,0,0]=4 20788 B9R1.17 OCCNCC1COC1 34a_100016990907_100010264016 [1,0,0,1,0,0|2,0,0]=4 20789 B9R1.17 OCCNC[C@@H]1CCO1 2230a_100020831831_100000211926 [1,0,0,1,0,0|2,0,0]=4 20790 B9R1.17 OCCNC[C@@H]1CCO1 34a_100020831831_100000211926 [1,0,0,1,0,0|2,0,0]=4 20791 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [1,0,0,1,0,0|1,0,0]=3 20792 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [1,0,0,1,0,0|2,0,0]=4 20793 B9R1.17 OCCOCC1CNC1 34a_100016987283_100000211926 [1,0,0,1,0,0|2,0,0]=4 20794 B9R1.17 OCCOCC1COC1 34a_100000060846_100000211926 [1,0,0,1,0,0|2,0,0]=4 20795 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [1,0,0,1,0,0|1,0,0]=3 20796 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [1,0,0,1,0,0|1,0,0]=3 20797 B9R1.17 OCCSCC1CCO1 62a_100000103362_100000211926 [1,0,0,1,0,0|2,0,0]=4 20798 B9R1.17 OCCSCC1CCO1 62a_100000211926_100000103362 [1,0,0,1,0,0|2,0,0]=4 20799 B9R1.17 OCCSCC1COC1 62a_100000211926_100010264016 [1,0,0,1,0,0|2,0,0]=4 20800 B9R1.17 OCCSCC1COC1 62a_100010264016_100000211926 [1,0,0,1,0,0|2,0,0]=4 20801 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [1,0,0,1,0,0|2,0,0]=4 20802 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [1,0,0,1,0,0|2,0,0]=4 20803 B9R1.33 CC1SCCN1CCO 2230a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 20804 B9R1.33 CC1SCCN1CCO 269982a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 20805 B9R1.33 CC1SCCN1CCO 34a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 20806 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [1,0,0,1,0,0|1,0,0]=3 20807 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [1,0,0,1,0,0|1,0,0]=3 20808 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [1,0,0,1,0,0|1,0,0]=3 20809 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [1,0,0,1,0,0|1,0,0]=3 20810 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [1,0,0,1,0,0|1,0,0]=3 20811 B9R1.33 CCCN1CCSC1C 2230a_200011216479_100000210303 [1,0,0,1,0,0|2,0,0]=4 20812 B9R1.33 CCCN1CCSC1C 269982a_200011216479_100000210303 [1,0,0,1,0,0|2,0,0]=4 20813 B9R1.33 CCCN1CCSC1C 34a_200011216479_100000210303 [1,0,0,1,0,0|2,0,0]=4 20814 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [1,0,0,1,0,0|1,0,0]=3 20815 B9R1.33 CCNC1CCOC1C 270004a_100015525214_100000691750 [1,0,0,1,0,0|2,0,0]=4 20816 B9R1.33 CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210202 [1,0,0,1,0,0|2,0,0]=4 20817 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [1,0,0,1,0,0|1,0,0]=3 20818 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [1,0,0,1,0,0|1,0,0]=3 20819 B9R1.33 CCOC1COCC1O 34a_100121572206_200000725654 [1,0,0,1,0,0|2,0,0]=4 20820 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [1,0,0,1,0,0|2,0,0]=4 20821 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [1,0,0,1,0,0|2,0,0]=4 20822 B9R1.33 CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210202 [1,0,0,1,0,0|2,0,0]=4 20823 B9R1.33 CCSC1COCC1O 62a_100000210202_200000725654 [1,0,0,1,0,0|2,0,0]=4 20824 B9R1.33 CCSC1COCC1O 62a_200000725654_100000210202 [1,0,0,1,0,0|2,0,0]=4 20825 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [1,0,0,1,0,0|1,0,0]=3 20826 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [1,0,0,1,0,0|1,0,0]=3 20827 B9R1.33 CN1CCCC1CO[13CH3] 34a_100000743107_200025704644 [1,0,0,1,0,0|2,0,0]=4 20828 B9R1.33 COCC1CCCN1C 34a_100000743107_200000210301 [1,0,0,1,0,0|2,0,0]=4 20829 B9R1.33 COCN1CCC[C@@H]1C 2230a_100020605311_100000766300 [1,0,0,1,0,0|2,0,0]=4 20830 B9R1.33 COCN1CCC[C@@H]1C 269982a_100020605311_100000766300 [1,0,0,1,0,0|2,0,0]=4 20831 B9R1.33 COCN1CCC[C@H]1C 2230a_100015189458_100000766300 [1,0,0,1,0,0|2,0,0]=4 20832 B9R1.33 COCN1CCC[C@H]1C 269982a_100015189458_100000766300 [1,0,0,1,0,0|2,0,0]=4 20833 B9R1.33 COC[C@@H]1CCCN1C 2230a_100020646714_200000210301 [1,0,0,1,0,0|2,0,0]=4 20834 B9R1.33 COC[C@@H]1CCCN1C 269982a_100020646714_200000210301 [1,0,0,1,0,0|2,0,0]=4 20835 B9R1.33 COC[C@@H]1CCCN1C 34a_100020646714_200000210301 [1,0,0,1,0,0|2,0,0]=4 20836 B9R1.33 COC[C@@H]1CCCN1[13CH3] 2230a_100020646714_200025704644 [1,0,0,1,0,0|2,0,0]=4 20837 B9R1.33 COC[C@@H]1CCCN1[13CH3] 269982a_100020646714_200025704644 [1,0,0,1,0,0|2,0,0]=4 20838 B9R1.33 COC[C@@H]1CCCN1[13CH3] 34a_100020646714_200025704644 [1,0,0,1,0,0|2,0,0]=4 20839 B9R1.33 CSCN1CCC[C@@H]1C 2230a_100020605311_100011218213 [1,0,0,1,0,0|2,0,0]=4 20840 B9R1.33 CSCN1CCC[C@@H]1C 269982a_100020605311_100011218213 [1,0,0,1,0,0|2,0,0]=4 20841 B9R1.33 CSCN1CCC[C@H]1C 2230a_100015189458_100011218213 [1,0,0,1,0,0|2,0,0]=4 20842 B9R1.33 CSCN1CCC[C@H]1C 269982a_100015189458_100011218213 [1,0,0,1,0,0|2,0,0]=4 20843 B9R1.33 CSCN1CCC[C@H]1C 34a_100015189458_100011218213 [1,0,0,1,0,0|2,0,0]=4 20844 B9R1.33 C[C@@H]1CCCN1CCF 2230a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 20845 B9R1.33 C[C@@H]1CCCN1CCF 269982a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 20846 B9R1.33 C[C@@H]1CCCN1CCF 34a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 20847 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [1,0,0,1,0,0|1,0,0]=3 20848 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [1,0,0,1,0,0|1,0,0]=3 20849 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [1,0,0,1,0,0|1,0,0]=3 20850 B9R1.33 C[C@H]1CCCN1CCF 2230a_100020605311_100011217306 [1,0,0,1,0,0|2,0,0]=4 20851 B9R1.33 C[C@H]1CCCN1CCF 269982a_100020605311_100011217306 [1,0,0,1,0,0|2,0,0]=4 20852 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [1,0,0,1,0,0|1,0,0]=3 20853 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [1,0,0,1,0,0|1,0,0]=3 20854 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_100015361967_200016002552 [1,0,0,1,0,0|2,0,0]=4 20855 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_200016002552_100015361967 [1,0,0,1,0,0|2,0,0]=4 20856 B9R1.39 CC1CCN1CCCF 269982a_100000755817_100011934791 [1,0,0,1,0,0|2,0,0]=4 20857 B9R1.39 CC1CCN1CCCF 34a_100000755817_100011934791 [1,0,0,1,0,0|2,0,0]=4 20858 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [1,0,0,1,0,0|1,0,0]=3 20859 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [1,0,0,1,0,0|1,0,0]=3 20860 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [1,0,0,1,0,0|1,0,0]=3 20861 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [1,0,0,1,0,0|1,0,0]=3 20862 B9R1.39 CCOCN1CCC1C 269982a_100000755817_100000739092 [1,0,0,1,0,0|2,0,0]=4 20863 B9R1.39 COCCN1CCC1C 269982a_100000755817_100000233755 [1,0,0,1,0,0|2,0,0]=4 20864 B9R1.39 COCCN1CCC1C 34a_100000755817_100011201679 [1,0,0,1,0,0|2,0,0]=4 20865 B9R1.39 CSCCN1CCC1C 269982a_100000755817_100000212216 [1,0,0,1,0,0|2,0,0]=4 20866 B9R1.39 CSCCN1CCC1C 34a_100000755817_100000212216 [1,0,0,1,0,0|2,0,0]=4 20867 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [1,0,0,1,0,0|1,0,0]=3 20868 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [1,0,0,1,0,0|1,0,0]=3 20869 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [1,0,0,1,0,0|1,0,0]=3 20870 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [1,0,0,1,0,0|1,0,0]=3 20871 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [1,0,0,1,0,0|1,0,0]=3 20872 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [1,0,0,1,0,0|1,0,0]=3 20873 B9R1.83 BrCCCCOC1CC1 34a_100011216708_100000211595 [1,0,0,1,0,0|2,0,0]=4 20874 B9R1.83 BrCCCOCC1CC1 34a_100011217188_100000742324 [1,0,0,1,0,0|2,0,0]=4 20875 B9R1.83 BrCCCOCC1CO1 34a_100011217188_102125554688 [1,0,0,1,0,0|2,0,0]=4 20876 B9R1.83 BrCCOCCC1CC1 34a_100000211926_100000694398 [1,0,0,1,0,0|2,0,0]=4 20877 B9R1.83 BrCCOCCC1CO1 34a_100000211926_100000732470 [1,0,0,1,0,0|2,0,0]=4 20878 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [1,0,0,1,0,0|1,0,0]=3 20879 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [1,0,0,1,0,0|1,0,0]=3 20880 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [1,0,0,1,0,0|1,0,0]=3 20881 B9R1.83 CCCCNCC1CC1 2230a_100000102301_100000742324 [1,0,0,1,0,0|1,0,0]=3 20882 B9R1.83 CCCCNCC1CC1 2230a_100000735609_100000210211 [1,0,0,1,0,0|1,0,0]=3 20883 B9R1.83 CCCCNCC1CC1 269862a_100000102301_100000741477 [1,0,0,1,0,0|1,0,0]=3 20884 B9R1.83 CCCCNCC1CC1 34a_100000735609_100000210210 [1,0,0,1,0,0|1,0,0]=3 20885 B9R1.83 CCCCNCC1CC1 7a_106832991798_100000742324 [1,0,0,1,0,0|1,0,0]=3 20886 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [1,0,0,1,0,0|1,0,0]=3 20887 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [1,0,0,1,0,0|1,0,0]=3 20888 B9R1.83 CCCCNCC1CS1 7a_106832991798_100000031435 [1,0,0,1,0,0|1,1,0]=4 20889 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [1,0,0,1,0,0|1,0,0]=3 20890 B9R1.83 CCCCOCC1CC1 34a_100000210227_100000742324 [1,0,0,1,0,0|1,0,0]=3 20891 B9R1.83 CCCCOCC1CC1 34a_100000211283_100000210210 [1,0,0,1,0,0|1,0,0]=3 20892 B9R1.83 CCCCOCC1CC1 7a_100000210227_100000742324 [1,0,0,1,0,0|1,0,0]=3 20893 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [1,0,0,1,0,0|1,0,0]=3 20894 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [1,0,0,1,0,0|1,0,0]=3 20895 B9R1.83 CCCCOCC1CS1 7a_100000210227_100000031435 [1,0,0,1,0,0|1,1,0]=4 20896 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [1,0,0,1,0,0|1,0,0]=3 20897 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [1,0,0,1,0,0|1,0,0]=3 20898 B9R1.83 CCCCSCC1CC1 62a_100000210211_100000742324 [1,0,0,1,0,0|1,0,0]=3 20899 B9R1.83 CCCCSCC1CC1 62a_100000756562_100000210210 [1,0,0,1,0,0|1,0,0]=3 20900 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [1,0,0,1,0,0|1,0,0]=3 20901 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [1,0,0,1,0,0|1,0,0]=3 20902 B9R1.83 CCCCSCC1CS1 62a_100000031435_100000210210 [1,0,0,1,0,0|1,1,0]=4 20903 B9R1.83 CCCCSCC1CS1 62a_100000210211_100000031435 [1,0,0,1,0,0|1,1,0]=4 20904 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [1,0,0,1,0,0|1,0,0]=3 20905 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [1,0,0,1,0,0|1,0,0]=3 20906 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [1,0,0,1,0,0|1,0,0]=3 20907 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [1,0,0,1,0,0|1,0,0]=3 20908 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [1,0,0,1,0,0|1,0,0]=3 20909 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [1,0,0,1,0,0|1,0,0]=3 20910 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [1,0,0,1,0,0|1,0,0]=3 20911 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [1,0,0,1,0,0|1,0,0]=3 20912 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [1,0,0,1,0,0|1,0,0]=3 20913 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [1,0,0,1,0,0|1,0,0]=3 20914 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [1,0,0,1,0,0|1,0,0]=3 20915 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [1,0,0,1,0,0|1,0,0]=3 20916 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [1,0,0,1,0,0|1,0,0]=3 20917 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [1,0,0,1,0,0|1,0,0]=3 20918 B9R1.83 CCOCCNC1CC1 34a_100000212008_100000210147 [1,0,0,1,0,0|2,0,0]=4 20919 B9R1.83 CCOCCNC1CC1 34a_100000738766_100000210202 [1,0,0,1,0,0|2,0,0]=4 20920 B9R1.83 CCOCCNC1CC1 34a_102516460346_100000211595 [1,0,0,1,0,0|2,0,0]=4 20921 B9R1.83 CCOCCOC1CC1 34a_100000210136_100000211595 [1,0,0,1,0,0|2,0,0]=4 20922 B9R1.83 CCOCCSC1CC1 62a_100000210147_100000211595 [1,0,0,1,0,0|2,0,0]=4 20923 B9R1.83 CCOCSCC1CC1 62a_100000739092_100000742324 [1,0,0,1,0,0|2,0,0]=4 20924 B9R1.83 CCOCSCC1CC1 62a_100000756562_100000739092 [1,0,0,1,0,0|2,0,0]=4 20925 B9R1.83 CCOCSCC1CO1 62a_100000739092_102125554688 [1,0,0,1,0,0|2,0,0]=4 20926 B9R1.83 CCOCSCC1CO1 62a_102125554688_100000739092 [1,0,0,1,0,0|2,0,0]=4 20927 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000739092_100000745022 [1,0,0,1,0,0|2,0,0]=4 20928 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000745022_100000739092 [1,0,0,1,0,0|2,0,0]=4 20929 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [1,0,0,1,0,0|1,0,0]=3 20930 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [1,0,0,1,0,0|1,0,0]=3 20931 B9R1.83 CCSCCNC1CC1 34a_100000212008_100000757381 [1,0,0,1,0,0|2,0,0]=4 20932 B9R1.83 CCSCCOC1CC1 34a_100000212035_100000211595 [1,0,0,1,0,0|2,0,0]=4 20933 B9R1.83 CCSCCSC1CC1 62a_100000757381_100000211595 [1,0,0,1,0,0|2,0,0]=4 20934 B9R1.83 CNCCCOC1CC1 34a_100000213112_100000211595 [1,0,0,1,0,0|2,0,0]=4 20935 B9R1.83 COCCCNC1CC1 34a_100000212008_100000740836 [1,0,0,1,0,0|2,0,0]=4 20936 B9R1.83 COCCCNC1CC1 34a_100150723488_100000211595 [1,0,0,1,0,0|2,0,0]=4 20937 B9R1.83 COCCCOC1CC1 34a_100000740835_100000211595 [1,0,0,1,0,0|2,0,0]=4 20938 B9R1.83 COCCCSC1CC1 62a_100000709357_100000211595 [1,0,0,1,0,0|2,0,0]=4 20939 B9R1.83 COCCNCC1CC1 2230a_100000209980_100000742324 [1,0,0,1,0,0|2,0,0]=4 20940 B9R1.83 COCCNCC1CC1 2230a_100000735609_100011201679 [1,0,0,1,0,0|2,0,0]=4 20941 B9R1.83 COCCNCC1CC1 269862a_100000209980_100000741477 [1,0,0,1,0,0|2,0,0]=4 20942 B9R1.83 COCCNCC1CC1 34a_100000735609_100011201679 [1,0,0,1,0,0|2,0,0]=4 20943 B9R1.83 COCCNCC1CO1 2230a_100000209980_100011216344 [1,0,0,1,0,0|2,0,0]=4 20944 B9R1.83 COCCOCC1CC1 34a_100000210237_100000742324 [1,0,0,1,0,0|2,0,0]=4 20945 B9R1.83 COCCOCC1CC1 34a_100000211283_100011201679 [1,0,0,1,0,0|2,0,0]=4 20946 B9R1.83 COCCOCC1CO1 34a_100000210237_102125554688 [1,0,0,1,0,0|2,0,0]=4 20947 B9R1.83 COCCOC[C@@H]1CO1 34a_100000757423_100011201679 [1,0,0,1,0,0|2,0,0]=4 20948 B9R1.83 COCCSCC1CC1 62a_100000233755_100000742324 [1,0,0,1,0,0|2,0,0]=4 20949 B9R1.83 COCCSCC1CC1 62a_100000756562_100000233755 [1,0,0,1,0,0|2,0,0]=4 20950 B9R1.83 COCCSCC1CO1 62a_100000233755_102125554688 [1,0,0,1,0,0|2,0,0]=4 20951 B9R1.83 COCCSCC1CO1 62a_102125554688_100000233755 [1,0,0,1,0,0|2,0,0]=4 20952 B9R1.83 COCCSC[C@@H]1CO1 62a_100000233755_100000745022 [1,0,0,1,0,0|2,0,0]=4 20953 B9R1.83 COCCSC[C@@H]1CO1 62a_100000745022_100000233755 [1,0,0,1,0,0|2,0,0]=4 20954 B9R1.83 COCSCCC1CC1 62a_100000764125_100000766300 [1,0,0,1,0,0|2,0,0]=4 20955 B9R1.83 COCSCCC1CC1 62a_100000766300_100000764125 [1,0,0,1,0,0|2,0,0]=4 20956 B9R1.83 COCSCCC1CO1 62a_100000732470_100000766300 [1,0,0,1,0,0|2,0,0]=4 20957 B9R1.83 COCSCCC1CO1 62a_100000766300_100000732470 [1,0,0,1,0,0|2,0,0]=4 20958 B9R1.83 CSCCCOC1CC1 34a_100000690336_100000211595 [1,0,0,1,0,0|2,0,0]=4 20959 B9R1.83 CSCCNCC1CC1 2230a_100000735609_100000751147 [1,0,0,1,0,0|2,0,0]=4 20960 B9R1.83 CSCCNCC1CC1 2230a_100020590264_100000742324 [1,0,0,1,0,0|2,0,0]=4 20961 B9R1.83 CSCCNCC1CC1 269862a_100020590264_100000741477 [1,0,0,1,0,0|2,0,0]=4 20962 B9R1.83 CSCCNCC1CC1 34a_100000735609_100000212216 [1,0,0,1,0,0|2,0,0]=4 20963 B9R1.83 CSCCNCC1CO1 2230a_100020590264_100011216344 [1,0,0,1,0,0|2,0,0]=4 20964 B9R1.83 CSCCOCC1CC1 34a_100000211283_100000212216 [1,0,0,1,0,0|2,0,0]=4 20965 B9R1.83 CSCCOCC1CC1 34a_100000230434_100000742324 [1,0,0,1,0,0|2,0,0]=4 20966 B9R1.83 CSCCOCC1CC1 7a_100000230434_100000742324 [1,0,0,1,0,0|2,0,0]=4 20967 B9R1.83 CSCCOCC1CO1 34a_100000230434_102125554688 [1,0,0,1,0,0|2,0,0]=4 20968 B9R1.83 CSCCOCC1CO1 7a_100000230434_102125554688 [1,0,0,1,0,0|2,0,0]=4 20969 B9R1.83 CSCCOC[C@@H]1CO1 34a_100000757423_100000212216 [1,0,0,1,0,0|2,0,0]=4 20970 B9R1.83 CSCCOC[C@@H]1CO1 7a_100000230434_100000745022 [1,0,0,1,0,0|2,0,0]=4 20971 B9R1.83 CSCCSCC1CC1 62a_100000212216_100000742324 [1,0,0,1,0,0|2,0,0]=4 20972 B9R1.83 CSCCSCC1CC1 62a_100000756562_100000751147 [1,0,0,1,0,0|2,0,0]=4 20973 B9R1.83 CSCCSCC1CO1 62a_100000212216_102125554688 [1,0,0,1,0,0|2,0,0]=4 20974 B9R1.83 CSCCSCC1CO1 62a_102125554688_100000751147 [1,0,0,1,0,0|2,0,0]=4 20975 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000212216_100000745022 [1,0,0,1,0,0|2,0,0]=4 20976 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000745022_100000751147 [1,0,0,1,0,0|2,0,0]=4 20977 B9R1.83 CSCNCCC1CC1 34a_100000764129_100011218213 [1,0,0,1,0,0|2,0,0]=4 20978 B9R1.83 CSCOCCC1CC1 34a_100000754188_100011218213 [1,0,0,1,0,0|2,0,0]=4 20979 B9R1.83 CSCOCC[C@@H]1CO1 34a_100009820653_100011218213 [1,0,0,1,0,0|2,0,0]=4 20980 B9R1.83 CSCSCCC1CC1 62a_100000764125_100011218213 [1,0,0,1,0,0|2,0,0]=4 20981 B9R1.83 CSCSCCC1CC1 62a_100011218213_100000764125 [1,0,0,1,0,0|2,0,0]=4 20982 B9R1.83 CSCSCCC1CO1 62a_100000732470_100011218213 [1,0,0,1,0,0|2,0,0]=4 20983 B9R1.83 CSCSCCC1CO1 62a_100011218213_100000732470 [1,0,0,1,0,0|2,0,0]=4 20984 B9R1.83 ClCCCCOC1CC1 34a_100000210776_100000211595 [1,0,0,1,0,0|2,0,0]=4 20985 B9R1.83 ClCCCOCC1CC1 34a_100000230001_100000742324 [1,0,0,1,0,0|2,0,0]=4 20986 B9R1.83 ClCCCOCC1CO1 34a_100000230001_102125554688 [1,0,0,1,0,0|2,0,0]=4 20987 B9R1.83 FCCCCNC1CC1 34a_100000212008_100000729493 [1,0,0,1,0,0|2,0,0]=4 20988 B9R1.83 FCCCCOC1CC1 34a_100011995726_100000211595 [1,0,0,1,0,0|2,0,0]=4 20989 B9R1.83 FCCCCSC1CC1 62a_100000729493_100000211595 [1,0,0,1,0,0|2,0,0]=4 20990 B9R1.83 FCCCNCC1CC1 2230a_100000735609_100011934791 [1,0,0,1,0,0|2,0,0]=4 20991 B9R1.83 FCCCNCC1CC1 2230a_100015189416_100000742324 [1,0,0,1,0,0|2,0,0]=4 20992 B9R1.83 FCCCNCC1CC1 269862a_100015189416_100000741477 [1,0,0,1,0,0|2,0,0]=4 20993 B9R1.83 FCCCNCC1CC1 34a_100000735609_100011934791 [1,0,0,1,0,0|2,0,0]=4 20994 B9R1.83 FCCCNCC1CC1 34a_100015189416_100000742324 [1,0,0,1,0,0|2,0,0]=4 20995 B9R1.83 FCCCNCC1CO1 2230a_100015189416_100011216344 [1,0,0,1,0,0|2,0,0]=4 20996 B9R1.83 FCCCNCC1CO1 34a_100015189416_102125554688 [1,0,0,1,0,0|2,0,0]=4 20997 B9R1.83 FCCCOCC1CC1 34a_100000211283_100011934791 [1,0,0,1,0,0|2,0,0]=4 20998 B9R1.83 FCCCOCC1CC1 34a_100000759539_100000742324 [1,0,0,1,0,0|2,0,0]=4 20999 B9R1.83 FCCCOCC1CO1 34a_100000759539_102125554688 [1,0,0,1,0,0|2,0,0]=4 21000 B9R1.83 FCCCOC[C@@H]1CO1 34a_100000757423_100011934791 [1,0,0,1,0,0|2,0,0]=4 21001 B9R1.83 FCCCSCC1CC1 62a_100000756562_100011934791 [1,0,0,1,0,0|2,0,0]=4 21002 B9R1.83 FCCCSCC1CC1 62a_100011934791_100000742324 [1,0,0,1,0,0|2,0,0]=4 21003 B9R1.83 FCCCSCC1CO1 62a_100011934791_102125554688 [1,0,0,1,0,0|2,0,0]=4 21004 B9R1.83 FCCCSCC1CO1 62a_102125554688_100011934791 [1,0,0,1,0,0|2,0,0]=4 21005 B9R1.83 FCCCSC[C@@H]1CO1 62a_100000745022_100011934791 [1,0,0,1,0,0|2,0,0]=4 21006 B9R1.83 FCCCSC[C@@H]1CO1 62a_100011934791_100000745022 [1,0,0,1,0,0|2,0,0]=4 21007 B9R1.83 FCCNCCC1CC1 34a_100000724931_100000694398 [1,0,0,1,0,0|2,0,0]=4 21008 B9R1.83 FCCNCCC1CC1 34a_100000764129_100011217306 [1,0,0,1,0,0|2,0,0]=4 21009 B9R1.83 FCCNCCC1CO1 34a_100000724931_100000732470 [1,0,0,1,0,0|2,0,0]=4 21010 B9R1.83 FCCOCCC1CC1 34a_100000754188_100011217306 [1,0,0,1,0,0|2,0,0]=4 21011 B9R1.83 FCCOCCC1CC1 7a_100000754188_100011217306 [1,0,0,1,0,0|2,0,0]=4 21012 B9R1.83 FCCOCC[C@@H]1CO1 34a_100009820653_100011217306 [1,0,0,1,0,0|2,0,0]=4 21013 B9R1.83 FCCSCCC1CC1 62a_100000764125_100011217306 [1,0,0,1,0,0|2,0,0]=4 21014 B9R1.83 FCCSCCC1CC1 62a_100011217306_100000764125 [1,0,0,1,0,0|2,0,0]=4 21015 B9R1.83 FCCSCCC1CO1 62a_100000732470_100011217306 [1,0,0,1,0,0|2,0,0]=4 21016 B9R1.83 FCCSCCC1CO1 62a_100011217306_100000732470 [1,0,0,1,0,0|2,0,0]=4 21017 B9R1.83 FCSCCCC1CO1 62a_100000733510_100015361967 [1,0,0,1,0,0|2,0,0]=4 21018 B9R1.83 FCSCCCC1CO1 62a_100015361967_100000733510 [1,0,0,1,0,0|2,0,0]=4 21019 B9R1.83 ICCCCOC1CC1 34a_200012148704_100000211595 [1,0,0,1,0,0|2,0,0]=4 21020 B9R1.83 NCCCCOC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|2,0,0]=4 21021 B9R1.83 NCCCOCC1CC1 34a_100000182051_100000742324 [1,0,0,1,0,0|2,0,0]=4 21022 B9R1.83 NCCCOCC1CO1 34a_100000182051_102125554688 [1,0,0,1,0,0|2,0,0]=4 21023 B9R1.83 NCCOCCC1CC1 34a_100000210304_100000694398 [1,0,0,1,0,0|2,0,0]=4 21024 B9R1.83 NCCOCCC1CO1 34a_100000210304_100000732470 [1,0,0,1,0,0|2,0,0]=4 21025 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [1,0,0,1,0,0|1,0,0]=3 21026 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|1,0,0]=3 21027 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [1,0,0,1,0,0|1,0,0]=3 21028 B9R1.83 OCCCNCC1CC1 2230a_100000735609_100000230001 [1,0,0,1,0,0|1,0,0]=3 21029 B9R1.83 OCCCNCC1CC1 269862a_100000182051_100000741477 [1,0,0,1,0,0|1,0,0]=3 21030 B9R1.83 OCCCNCC1CC1 34a_100000735609_100000230001 [1,0,0,1,0,0|1,0,0]=3 21031 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [1,0,0,1,0,0|1,0,0]=3 21032 B9R1.83 OCCCOC[C@@H]1CO1 34a_100000757423_100000230001 [1,0,0,1,0,0|2,0,0]=4 21033 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [1,0,0,1,0,0|1,0,0]=3 21034 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [1,0,0,1,0,0|1,0,0]=3 21035 B9R1.83 OCCCSCC1CO1 62a_100011215043_102125554688 [1,0,0,1,0,0|2,0,0]=4 21036 B9R1.83 OCCCSCC1CO1 62a_102125554688_100011215043 [1,0,0,1,0,0|2,0,0]=4 21037 B9R1.83 OCCCSCC1CS1 62a_100000031435_100011215043 [1,0,0,1,0,0|2,0,0]=4 21038 B9R1.83 OCCCSCC1CS1 62a_100011215043_100000031435 [1,0,0,1,0,0|2,0,0]=4 21039 B9R1.83 OCCCSC[C@@H]1CO1 62a_100000745022_100011215043 [1,0,0,1,0,0|2,0,0]=4 21040 B9R1.83 OCCCSC[C@@H]1CO1 62a_100011215043_100000745022 [1,0,0,1,0,0|2,0,0]=4 21041 B9R1.83 OCCNCCC1CC1 2230a_100016997473_100000694398 [1,0,0,1,0,0|1,0,0]=3 21042 B9R1.83 OCCNCCC1CC1 34a_100000764129_100000211926 [1,0,0,1,0,0|1,0,0]=3 21043 B9R1.83 OCCNCCC1CC1 34a_100016990907_100000694398 [1,0,0,1,0,0|1,0,0]=3 21044 B9R1.83 OCCNCCC1CO1 2230a_100016997473_100000732470 [1,0,0,1,0,0|2,0,0]=4 21045 B9R1.83 OCCNCCC1CO1 34a_100016990907_100000732470 [1,0,0,1,0,0|2,0,0]=4 21046 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [1,0,0,1,0,0|1,0,0]=3 21047 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [1,0,0,1,0,0|1,0,0]=3 21048 B9R1.83 OCCOCC[C@@H]1CO1 34a_100009820653_100000211926 [1,0,0,1,0,0|2,0,0]=4 21049 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [1,0,0,1,0,0|1,0,0]=3 21050 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [1,0,0,1,0,0|1,0,0]=3 21051 B9R1.83 OCCSCCC1CO1 62a_100000211926_100000732470 [1,0,0,1,0,0|2,0,0]=4 21052 B9R1.83 OCCSCCC1CO1 62a_100000732470_100000211926 [1,0,0,1,0,0|2,0,0]=4 21053 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [1,0,0,1,0,0|1,0,0]=3 21054 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [1,0,0,1,0,0|1,0,0]=3 21055 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [1,0,0,1,0,0|1,0,0]=3 21056 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [1,0,0,1,0,0|2,0,0]=4 21057 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [1,0,0,1,0,0|2,0,0]=4 21058 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [1,0,0,1,0,0|2,0,0]=4 21059 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [1,0,0,1,0,0|1,0,0]=3 21060 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [1,0,0,1,0,0|1,0,0]=3 21061 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [1,0,0,1,0,0|1,0,0]=3 21062 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [1,0,0,1,0,0|1,0,0]=3 21063 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [1,0,0,1,0,0|2,0,0]=4 21064 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [1,0,0,1,0,0|1,0,0]=3 21065 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [1,0,0,1,0,0|1,0,0]=3 21066 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [1,0,0,1,0,0|1,0,0]=3 21067 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [1,0,0,1,0,0|1,0,0]=3 21068 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [1,0,0,1,0,0|1,0,0]=3 21069 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [1,0,0,1,0,0|2,0,0]=4 21070 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [1,0,0,1,0,0|2,0,0]=4 21071 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [1,0,0,1,0,0|1,0,0]=3 21072 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [1,0,0,1,0,0|1,0,0]=3 21073 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [1,0,0,1,0,0|1,0,0]=3 21074 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [1,0,0,1,0,0|1,0,0]=3 21075 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [1,0,0,1,0,0|1,0,0]=3 21076 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [1,0,0,1,0,0|1,0,0]=3 21077 B11R1.4 BrCCCCOC1CCCC1 34a_100011216708_100000179811 [0,1,0,1,0,0|1,0,0]=3 21078 B11R1.4 BrCCCCOC1CCOC1 34a_100011216708_100000690089 [0,1,0,1,0,0|2,0,0]=4 21079 B11R1.4 BrCCCOCC1CCCC1 34a_100011217188_100000740388 [0,1,0,1,0,0|1,0,0]=3 21080 B11R1.4 BrCCCOCC1CCOC1 34a_100011217188_100011261433 [0,1,0,1,0,0|2,0,0]=4 21081 B11R1.4 BrCCCOCC1OCCO1 34a_100011217188_100000755774 [0,1,0,1,0,0|2,0,0]=4 21082 B11R1.4 BrCCOCCC1CCCC1 34a_100000211926_100000760354 [0,1,0,1,0,0|1,0,0]=3 21083 B11R1.4 BrCCOCCC1OCCO1 34a_100000211926_100000740749 [0,1,0,1,0,0|2,0,0]=4 21084 B11R1.4 C#CCCCCN1CCCC1 2230a_100000188435_100010269958 [0,1,0,1,0,0|1,0,1]=4 21085 B11R1.4 C#CCCCCN1CCCC1 269982a_100000188435_100010269958 [0,1,0,1,0,0|1,0,1]=4 21086 B11R1.4 C#CCCCNC1CCCC1 2230a_100000211070_100000731252 [0,1,0,1,0,0|1,0,1]=4 21087 B11R1.4 C#CCCCNC1CCCC1 270004a_100000718082_100000210133 [0,1,0,1,0,0|1,0,1]=4 21088 B11R1.4 C#CCCCNC1CCCC1 34a_100000211070_100000695029 [0,1,0,1,0,0|1,0,1]=4 21089 B11R1.4 C#CCCCNC1CCCC1 34a_100000718082_100000179811 [0,1,0,1,0,0|1,0,1]=4 21090 B11R1.4 C#CCCCOC1CCCC1 34a_100000210269_100000695029 [0,1,0,1,0,0|1,0,1]=4 21091 B11R1.4 C#CCCCOC1CCCC1 34a_100000215630_100000179811 [0,1,0,1,0,0|1,0,1]=4 21092 B11R1.4 C#CCCCOC1CCCC1 7a_100000210269_100011215417 [0,1,0,1,0,0|1,0,1]=4 21093 B11R1.4 C#CCCCOC1CCCC1 7a_100000215630_100000179811 [0,1,0,1,0,0|1,0,1]=4 21094 B11R1.4 C#CCCCOC1CCCO1 34a_100000085407_100000695029 [0,1,0,1,0,0|0,0,2]=4 21095 B11R1.4 C#CCCCSC1CCCC1 62a_100011215417_100000179811 [0,1,0,1,0,0|1,0,1]=4 21096 B11R1.4 C#CCCCSC1CCCC1 62a_100011217020_100011215417 [0,1,0,1,0,0|1,0,1]=4 21097 B11R1.4 C#CCCNCC1CCCC1 2230a_100000737975_100000688953 [0,1,0,1,0,0|1,0,1]=4 21098 B11R1.4 C#CCCNCC1CCCC1 34a_100000737975_100000688953 [0,1,0,1,0,0|1,0,1]=4 21099 B11R1.4 C#CCCNCC1CCCC1 34a_100000755551_100000740388 [0,1,0,1,0,0|1,0,1]=4 21100 B11R1.4 C#CCCNC[C@@H]1CCCO1 2230a_100020590478_100000688953 [0,1,0,1,0,0|0,0,2]=4 21101 B11R1.4 C#CCCNC[C@@H]1CCCO1 34a_100020590478_100000688953 [0,1,0,1,0,0|0,0,2]=4 21102 B11R1.4 C#CCCOCC1CCCC1 34a_100000742336_100000688953 [0,1,0,1,0,0|1,0,1]=4 21103 B11R1.4 C#CCCOCC1CCCC1 34a_100011215631_100000740388 [0,1,0,1,0,0|1,0,1]=4 21104 B11R1.4 C#CCCOCC1CCCC1 7a_100000742336_100000688953 [0,1,0,1,0,0|1,0,1]=4 21105 B11R1.4 C#CCCOCC1CCCO1 34a_100000210270_100000688953 [0,1,0,1,0,0|0,0,2]=4 21106 B11R1.4 C#CCCOCC1CCCO1 7a_100000210270_100000688953 [0,1,0,1,0,0|0,0,2]=4 21107 B11R1.4 C#CCCSCC1CCCC1 62a_100000688953_100000740388 [0,1,0,1,0,0|1,0,1]=4 21108 B11R1.4 C#CCCSCC1CCCC1 62a_100000740388_100000688953 [0,1,0,1,0,0|1,0,1]=4 21109 B11R1.4 C#CCCSCC1CCCO1 62a_100000203698_100000688953 [0,1,0,1,0,0|0,0,2]=4 21110 B11R1.4 C#CCCSCC1CCCO1 62a_100000688953_100000203698 [0,1,0,1,0,0|0,0,2]=4 21111 B11R1.4 C#CCNCCC1CCCC1 2230a_100000739158_100000038162 [0,1,0,1,0,0|1,0,1]=4 21112 B11R1.4 C#CCNCCC1CCCC1 34a_100000212058_100000760354 [0,1,0,1,0,0|1,0,1]=4 21113 B11R1.4 C#CCNCCC1CCCC1 34a_100000739158_100000184674 [0,1,0,1,0,0|1,0,1]=4 21114 B11R1.4 C#CCOCCC1CCCC1 34a_100000210247_100000760354 [0,1,0,1,0,0|1,0,1]=4 21115 B11R1.4 C#CCOCCC1CCCC1 34a_100000749090_100000184674 [0,1,0,1,0,0|1,0,1]=4 21116 B11R1.4 C#CCOCCC1CCCC1 7a_100000749090_100000038162 [0,1,0,1,0,0|1,0,1]=4 21117 B11R1.4 C#CCSCCC1CCCC1 62a_100000038162_100000760354 [0,1,0,1,0,0|1,0,1]=4 21118 B11R1.4 C/C=C/CNC[C@@H]1CCCO1 34a_100020590478_100102629194 [0,1,0,1,0,0|0,0,2]=4 21119 B11R1.4 C/C=C/COCC1CCCO1 34a_100000210270_100102629194 [0,1,0,1,0,0|0,0,2]=4 21120 B11R1.4 C/C=C/COCC1CCCO1 7a_100000210270_100102629194 [0,1,0,1,0,0|0,0,2]=4 21121 B11R1.4 C/C=C/CSCC1CCCO1 62a_100000203698_100102629194 [0,1,0,1,0,0|0,0,2]=4 21122 B11R1.4 C/C=C/CSCC1CCCO1 62a_100102629194_100000203698 [0,1,0,1,0,0|0,0,2]=4 21123 B11R1.4 C=CCCCCN1CCCC1 2230a_100000188435_100011215482 [0,1,0,1,0,0|1,0,1]=4 21124 B11R1.4 C=CCCCCN1CCCC1 269982a_100000188435_100011215482 [0,1,0,1,0,0|1,0,1]=4 21125 B11R1.4 C=CCCCNC1CCCC1 2230a_100000211070_100011713584 [0,1,0,1,0,0|1,0,1]=4 21126 B11R1.4 C=CCCCNC1CCCC1 2230a_100000700776_100000179811 [0,1,0,1,0,0|1,0,1]=4 21127 B11R1.4 C=CCCCNC1CCCC1 270004a_100000700776_100000210133 [0,1,0,1,0,0|1,0,1]=4 21128 B11R1.4 C=CCCCNC1CCCC1 34a_100000211070_100000757094 [0,1,0,1,0,0|1,0,1]=4 21129 B11R1.4 C=CCCCNC1CCCC1 34a_100000700776_100000179811 [0,1,0,1,0,0|1,0,1]=4 21130 B11R1.4 C=CCCCOC1CCCC1 34a_100000210269_100000757094 [0,1,0,1,0,0|1,0,1]=4 21131 B11R1.4 C=CCCCOC1CCCC1 34a_100000758997_100000179811 [0,1,0,1,0,0|1,0,1]=4 21132 B11R1.4 C=CCCCOC1CCCC1 7a_100000210269_100000757094 [0,1,0,1,0,0|1,0,1]=4 21133 B11R1.4 C=CCCCOC1CCCC1 7a_100000758997_100000179811 [0,1,0,1,0,0|1,0,1]=4 21134 B11R1.4 C=CCCCOC1CCCO1 34a_100000085407_100000757094 [0,1,0,1,0,0|0,0,2]=4 21135 B11R1.4 C=CCCCSC1CCCC1 62a_100011217020_100000757094 [0,1,0,1,0,0|1,0,1]=4 21136 B11R1.4 C=CCCCSC1CCCC1 62a_100011713584_100000179811 [0,1,0,1,0,0|1,0,1]=4 21137 B11R1.4 C=CCCNCC1CCCC1 2230a_100000737975_100000754431 [0,1,0,1,0,0|1,0,1]=4 21138 B11R1.4 C=CCCNCC1CCCC1 2230a_100015191253_100000740388 [0,1,0,1,0,0|1,0,1]=4 21139 B11R1.4 C=CCCNCC1CCCC1 269862a_100015191253_100000746403 [0,1,0,1,0,0|1,0,1]=4 21140 B11R1.4 C=CCCNCC1CCCC1 34a_100000737975_100000754431 [0,1,0,1,0,0|1,0,1]=4 21141 B11R1.4 C=CCCNCC1CCCO1 2230a_100015191253_100000203698 [0,1,0,1,0,0|0,0,2]=4 21142 B11R1.4 C=CCCNC[C@@H]1CCCO1 2230a_100020590478_100000754431 [0,1,0,1,0,0|0,0,2]=4 21143 B11R1.4 C=CCCNC[C@@H]1CCCO1 34a_100020590478_100000754431 [0,1,0,1,0,0|0,0,2]=4 21144 B11R1.4 C=CCCOCC1CCCC1 34a_100000742336_100000754431 [0,1,0,1,0,0|1,0,1]=4 21145 B11R1.4 C=CCCOCC1CCCC1 34a_100011205117_100000740388 [0,1,0,1,0,0|1,0,1]=4 21146 B11R1.4 C=CCCOCC1CCCC1 7a_100000742336_100000754431 [0,1,0,1,0,0|1,0,1]=4 21147 B11R1.4 C=CCCOCC1CCCO1 34a_100000210270_100000754431 [0,1,0,1,0,0|0,0,2]=4 21148 B11R1.4 C=CCCOCC1CCCO1 7a_100000210270_100000754431 [0,1,0,1,0,0|0,0,2]=4 21149 B11R1.4 C=CCCSCC1CCCC1 62a_100000740388_100000754431 [0,1,0,1,0,0|1,0,1]=4 21150 B11R1.4 C=CCCSCC1CCCC1 62a_100000754431_100000740388 [0,1,0,1,0,0|1,0,1]=4 21151 B11R1.4 C=CCCSCC1CCCO1 62a_100000203698_100000754431 [0,1,0,1,0,0|0,0,2]=4 21152 B11R1.4 C=CCCSCC1CCCO1 62a_100000754431_100000203698 [0,1,0,1,0,0|0,0,2]=4 21153 B11R1.4 C=CCNCCC1CCCC1 2230a_100000739158_100000210623 [0,1,0,1,0,0|1,0,1]=4 21154 B11R1.4 C=CCNCCC1CCCC1 2230a_100020586998_100000760354 [0,1,0,1,0,0|1,0,1]=4 21155 B11R1.4 C=CCNCCC1CCCC1 34a_100000739158_100015514636 [0,1,0,1,0,0|1,0,1]=4 21156 B11R1.4 C=CCOCCC1CCCC1 34a_100000749090_100015514636 [0,1,0,1,0,0|1,0,1]=4 21157 B11R1.4 C=CCOCCC1CCCC1 34a_200000210373_100000760354 [0,1,0,1,0,0|1,0,1]=4 21158 B11R1.4 C=CCOCCC1CCCC1 7a_100000749090_100015514636 [0,1,0,1,0,0|1,0,1]=4 21159 B11R1.4 C=CCSCCC1CCCC1 62a_100000210623_100000760354 [0,1,0,1,0,0|1,0,1]=4 21160 B11R1.4 C=CCSCCC1CCCC1 62a_100000760354_100000210623 [0,1,0,1,0,0|1,0,1]=4 21161 B11R1.4 CC#CCNCC1CCCO1 2230a_100000685387_100000203698 [0,1,0,1,0,0|0,0,2]=4 21162 B11R1.4 CC#CCNC[C@@H]1CCCO1 2230a_100020590478_100000748600 [0,1,0,1,0,0|0,0,2]=4 21163 B11R1.4 CC#CCNC[C@@H]1CCCO1 34a_100020590478_100000748600 [0,1,0,1,0,0|0,0,2]=4 21164 B11R1.4 CC#CCOCC1CCCO1 34a_100000210270_100000748600 [0,1,0,1,0,0|0,0,2]=4 21165 B11R1.4 CC#CCOCC1CCCO1 7a_100000210270_100000748600 [0,1,0,1,0,0|0,0,2]=4 21166 B11R1.4 CC#CCSCC1CCCO1 62a_100000203698_100000748600 [0,1,0,1,0,0|0,0,2]=4 21167 B11R1.4 CC#CCSCC1CCCO1 62a_100000748600_100000203698 [0,1,0,1,0,0|0,0,2]=4 21168 B11R1.4 CC/C=C\COC1CCCO1 34a_100000085407_100103147603 [0,1,0,1,0,0|0,0,2]=4 21169 B11R1.4 CC=CCNC[C@@H]1CCCO1 2230a_100020590478_100000070051 [0,1,0,1,0,0|0,0,2]=4 21170 B11R1.4 CC=CCNC[C@@H]1CCCO1 34a_100020590478_100000070051 [0,1,0,1,0,0|0,0,2]=4 21171 B11R1.4 CC=CCOCC1CCCO1 34a_100000210270_100000070051 [0,1,0,1,0,0|0,0,2]=4 21172 B11R1.4 CC=CCOCC1CCCO1 7a_100000210270_100000070051 [0,1,0,1,0,0|0,0,2]=4 21173 B11R1.4 CC=CCSCC1CCCO1 62a_100000070051_100000203698 [0,1,0,1,0,0|0,0,2]=4 21174 B11R1.4 CC=CCSCC1CCCO1 62a_100000203698_100000070051 [0,1,0,1,0,0|0,0,2]=4 21175 B11R1.4 CCC#CCOC1CCCO1 34a_100000085407_100009813939 [0,1,0,1,0,0|0,0,2]=4 21176 B11R1.4 CCCCCCN1CCCC1 2230a_100000188435_100000210314 [0,1,0,1,0,0|1,0,0]=3 21177 B11R1.4 CCCCCCN1CCCC1 269982a_100000188435_100000210757 [0,1,0,1,0,0|1,0,0]=3 21178 B11R1.4 CCCCCCN1CCSC1 2230a_100011215254_100000210314 [0,1,0,1,0,0|1,1,0]=4 21179 B11R1.4 CCCCCCN1CCSC1 269982a_100011215254_100000210757 [0,1,0,1,0,0|1,1,0]=4 21180 B11R1.4 CCCCCNC1CCCC1 2230a_100000209983_100000179811 [0,1,0,1,0,0|1,0,0]=3 21181 B11R1.4 CCCCCNC1CCCC1 2230a_100000211070_100000210326 [0,1,0,1,0,0|1,0,0]=3 21182 B11R1.4 CCCCCNC1CCCC1 270004a_100000209983_100000210133 [0,1,0,1,0,0|1,0,0]=3 21183 B11R1.4 CCCCCNC1CCCC1 34a_100000211070_100000718602 [0,1,0,1,0,0|1,0,0]=3 21184 B11R1.4 CCCCCNC1CCOC1 2230a_100000209983_100000731011 [0,1,0,1,0,0|1,0,0]=3 21185 B11R1.4 CCCCCNC1CCOC1 270004a_100000209983_100000752484 [0,1,0,1,0,0|1,0,0]=3 21186 B11R1.4 CCCCCNC1CCSC1 270004a_100000209983_100000212027 [0,1,0,1,0,0|1,1,0]=4 21187 B11R1.4 CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210326 [0,1,0,1,0,0|1,0,0]=3 21188 B11R1.4 CCCCCN[C@H]1CCOC1 2230a_100015188467_100000210326 [0,1,0,1,0,0|1,0,0]=3 21189 B11R1.4 CCCCCN[C@H]1CCOC1 34a_100015188467_100000718602 [0,1,0,1,0,0|1,0,0]=3 21190 B11R1.4 CCCCCOC1CCCC1 34a_100000210253_100000179811 [0,1,0,1,0,0|1,0,0]=3 21191 B11R1.4 CCCCCOC1CCCC1 34a_100000210269_100000718602 [0,1,0,1,0,0|1,0,0]=3 21192 B11R1.4 CCCCCOC1CCCC1 7a_100000210253_100000179811 [0,1,0,1,0,0|1,0,0]=3 21193 B11R1.4 CCCCCOC1CCCC1 7a_100000210269_100000210326 [0,1,0,1,0,0|1,0,0]=3 21194 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [0,1,0,1,0,0|0,0,0]=2 21195 B11R1.4 CCCCCOC1CCOC1 34a_100000210253_100000690089 [0,1,0,1,0,0|1,0,0]=3 21196 B11R1.4 CCCCCOC1CCOC1 7a_100000210253_100000731011 [0,1,0,1,0,0|1,0,0]=3 21197 B11R1.4 CCCCCOC1CCSC1 7a_100011232664_100000210326 [0,1,0,1,0,0|1,1,0]=4 21198 B11R1.4 CCCCCO[C@H]1CCOC1 34a_100000717292_100000718602 [0,1,0,1,0,0|1,0,0]=3 21199 B11R1.4 CCCCCSC1CCCC1 62a_100000210326_100000179811 [0,1,0,1,0,0|1,0,0]=3 21200 B11R1.4 CCCCCSC1CCCC1 62a_100011217020_100000210326 [0,1,0,1,0,0|1,0,0]=3 21201 B11R1.4 CCCCCSC1CCOC1 62a_100000210326_100000690089 [0,1,0,1,0,0|1,0,0]=3 21202 B11R1.4 CCCCNCC1CCCC1 2230a_100000102301_100000740388 [0,1,0,1,0,0|1,0,0]=3 21203 B11R1.4 CCCCNCC1CCCC1 2230a_100000737975_100000210211 [0,1,0,1,0,0|1,0,0]=3 21204 B11R1.4 CCCCNCC1CCCC1 269862a_100000102301_100000746403 [0,1,0,1,0,0|1,0,0]=3 21205 B11R1.4 CCCCNCC1CCCC1 34a_100000737975_100000210210 [0,1,0,1,0,0|1,0,0]=3 21206 B11R1.4 CCCCNCC1CCCC1 7a_106832991798_100000740388 [0,1,0,1,0,0|1,0,0]=3 21207 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [0,1,0,1,0,0|0,0,0]=2 21208 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [0,1,0,1,0,0|0,0,0]=2 21209 B11R1.4 CCCCNCC1CCOC1 2230a_100000102301_100000702531 [0,1,0,1,0,0|1,0,0]=3 21210 B11R1.4 CCCCNCC1CCOC1 2230a_100000737293_100000210211 [0,1,0,1,0,0|1,0,0]=3 21211 B11R1.4 CCCCNCC1CCOC1 34a_100000737293_100000210210 [0,1,0,1,0,0|1,0,0]=3 21212 B11R1.4 CCCCNCC1CCOC1 7a_106832991798_100000702531 [0,1,0,1,0,0|1,0,0]=3 21213 B11R1.4 CCCCNCC1OCCO1 2230a_100000036311_100000210211 [0,1,0,1,0,0|1,0,0]=3 21214 B11R1.4 CCCCNCC1OCCO1 2230a_100000102301_100000755774 [0,1,0,1,0,0|1,0,0]=3 21215 B11R1.4 CCCCNCC1OCCO1 34a_100000036311_100000210210 [0,1,0,1,0,0|1,0,0]=3 21216 B11R1.4 CCCCNCC1OCCO1 7a_106832991798_100000755774 [0,1,0,1,0,0|1,0,0]=3 21217 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [0,1,0,1,0,0|0,0,0]=2 21218 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [0,1,0,1,0,0|0,0,0]=2 21219 B11R1.4 CCCCOCC1CCCC1 34a_100000210227_100000740388 [0,1,0,1,0,0|1,0,0]=3 21220 B11R1.4 CCCCOCC1CCCC1 34a_100000742336_100000210210 [0,1,0,1,0,0|1,0,0]=3 21221 B11R1.4 CCCCOCC1CCCC1 7a_100000210227_100000740388 [0,1,0,1,0,0|1,0,0]=3 21222 B11R1.4 CCCCOCC1CCCC1 7a_100000742336_100000210211 [0,1,0,1,0,0|1,0,0]=3 21223 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [0,1,0,1,0,0|0,0,0]=2 21224 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [0,1,0,1,0,0|0,0,0]=2 21225 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [0,1,0,1,0,0|0,0,0]=2 21226 B11R1.4 CCCCOCC1CCNC1 34a_100000748654_100000210210 [0,1,0,1,0,0|2,0,0]=4 21227 B11R1.4 CCCCOCC1CCOC1 34a_100000210227_100011261433 [0,1,0,1,0,0|1,0,0]=3 21228 B11R1.4 CCCCOCC1CCOC1 34a_100000740260_100000210210 [0,1,0,1,0,0|1,0,0]=3 21229 B11R1.4 CCCCOCC1CCOC1 7a_100000210227_100000702531 [0,1,0,1,0,0|1,0,0]=3 21230 B11R1.4 CCCCOCC1COCO1 34a_100011216627_100000210210 [0,1,0,1,0,0|1,0,0]=3 21231 B11R1.4 CCCCOCC1OCCO1 34a_100000087154_100000210210 [0,1,0,1,0,0|1,0,0]=3 21232 B11R1.4 CCCCOCC1OCCO1 34a_100000210227_100000755774 [0,1,0,1,0,0|1,0,0]=3 21233 B11R1.4 CCCCOCC1OCCO1 7a_100000210227_100000755774 [0,1,0,1,0,0|1,0,0]=3 21234 B11R1.4 CCCCOCN1CCCC1 2230a_100000188435_100011995733 [0,1,0,1,0,0|2,0,0]=4 21235 B11R1.4 CCCCOCN1CCCC1 269982a_100000188435_100011995733 [0,1,0,1,0,0|2,0,0]=4 21236 B11R1.4 CCCCOC[C@H]1CCCN1 34a_100000745186_100000210210 [0,1,0,1,0,0|1,0,0]=3 21237 B11R1.4 CCCCSCC1CCCC1 62a_100000210211_100000740388 [0,1,0,1,0,0|1,0,0]=3 21238 B11R1.4 CCCCSCC1CCCC1 62a_100000740388_100000210210 [0,1,0,1,0,0|1,0,0]=3 21239 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [0,1,0,1,0,0|0,0,0]=2 21240 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [0,1,0,1,0,0|0,0,0]=2 21241 B11R1.4 CCCCSCC1CCOC1 62a_100000210211_100000702531 [0,1,0,1,0,0|1,0,0]=3 21242 B11R1.4 CCCCSCC1CCOC1 62a_100000702531_100000210210 [0,1,0,1,0,0|1,0,0]=3 21243 B11R1.4 CCCCSCC1OCCO1 62a_100000210211_100000755774 [0,1,0,1,0,0|1,0,0]=3 21244 B11R1.4 CCCCSCC1OCCO1 62a_100000755774_100000210210 [0,1,0,1,0,0|1,0,0]=3 21245 B11R1.4 CCCNCCC1CCCC1 2230a_100000739158_100000210303 [0,1,0,1,0,0|1,0,0]=3 21246 B11R1.4 CCCNCCC1CCCC1 34a_100000739158_100000210303 [0,1,0,1,0,0|1,0,0]=3 21247 B11R1.4 CCCNCCC1OCCO1 2230a_100000034215_100000210303 [0,1,0,1,0,0|1,0,0]=3 21248 B11R1.4 CCCNCCC1OCCO1 34a_100000034215_100000210303 [0,1,0,1,0,0|1,0,0]=3 21249 B11R1.4 CCCOCCC1CCCC1 34a_100000210258_100000760354 [0,1,0,1,0,0|1,0,0]=3 21250 B11R1.4 CCCOCCC1CCCC1 34a_100000749090_100000210303 [0,1,0,1,0,0|1,0,0]=3 21251 B11R1.4 CCCOCCC1CCCC1 7a_100000749090_100000210303 [0,1,0,1,0,0|1,0,0]=3 21252 B11R1.4 CCCOCCC1CCNC1 34a_100016987287_100000210303 [0,1,0,1,0,0|2,0,0]=4 21253 B11R1.4 CCCOCCC1CCOC1 34a_100011879284_100000210303 [0,1,0,1,0,0|1,0,0]=3 21254 B11R1.4 CCCOCCC1OCCO1 34a_100000210258_100000740749 [0,1,0,1,0,0|1,0,0]=3 21255 B11R1.4 CCCOCCN1CCCC1 2230a_100000188435_100011215938 [0,1,0,1,0,0|2,0,0]=4 21256 B11R1.4 CCCOCCN1CCCC1 269982a_100000188435_100011215938 [0,1,0,1,0,0|2,0,0]=4 21257 B11R1.4 CCCSCCC1CCCC1 62a_100000210303_100000760354 [0,1,0,1,0,0|1,0,0]=3 21258 B11R1.4 CCCSCCC1CCCC1 62a_100000760354_100000210303 [0,1,0,1,0,0|1,0,0]=3 21259 B11R1.4 CCCSCCC1OCCO1 62a_100000210303_100000740749 [0,1,0,1,0,0|1,0,0]=3 21260 B11R1.4 CCCSCCN1CCCC1 62a_100000210303_100000004467 [0,1,0,1,0,0|2,0,0]=4 21261 B11R1.4 CCCSCCN1CCCC1 62a_100000700749_100000210303 [0,1,0,1,0,0|2,0,0]=4 21262 B11R1.4 CCNCCCC1CCCC1 2230a_100000736752_100000210202 [0,1,0,1,0,0|1,0,0]=3 21263 B11R1.4 CCNCCCC1CCCC1 2230a_100015525214_100011713738 [0,1,0,1,0,0|1,0,0]=3 21264 B11R1.4 CCNCCCC1CCCC1 34a_100000736752_100000210202 [0,1,0,1,0,0|1,0,0]=3 21265 B11R1.4 CCNCCCC1OCCO1 2230a_100015525214_100000042513 [0,1,0,1,0,0|1,0,0]=3 21266 B11R1.4 CCNCCCN1CCCC1 2230a_100015525214_100011445909 [0,1,0,1,0,0|2,0,0]=4 21267 B11R1.4 CCNCCOC1CCCC1 34a_100000741755_100000210202 [0,1,0,1,0,0|2,0,0]=4 21268 B11R1.4 CCOCCCC1CCCC1 34a_100011215328_100000210202 [0,1,0,1,0,0|1,0,0]=3 21269 B11R1.4 CCOCCCC1CCCC1 34a_100121572206_100011713738 [0,1,0,1,0,0|1,0,0]=3 21270 B11R1.4 CCOCCCC1CCCC1 7a_100011215328_100000210202 [0,1,0,1,0,0|1,0,0]=3 21271 B11R1.4 CCOCCCC1OCCO1 34a_100009871617_100000210202 [0,1,0,1,0,0|1,0,0]=3 21272 B11R1.4 CCOCCCC1OCCO1 34a_100121572206_100009861162 [0,1,0,1,0,0|1,0,0]=3 21273 B11R1.4 CCOCCCC1OCCO1 7a_100009871617_100000210202 [0,1,0,1,0,0|1,0,0]=3 21274 B11R1.4 CCOCCCN1CCCC1 2230a_100000188435_100012232248 [0,1,0,1,0,0|2,0,0]=4 21275 B11R1.4 CCOCCCN1CCCC1 269982a_100000188435_100012232248 [0,1,0,1,0,0|2,0,0]=4 21276 B11R1.4 CCOCCCN1CCCC1 34a_100121572206_100016991639 [0,1,0,1,0,0|2,0,0]=4 21277 B11R1.4 CCOCCNC1CCCC1 2230a_100000211070_100011215890 [0,1,0,1,0,0|2,0,0]=4 21278 B11R1.4 CCOCCNC1CCCC1 2230a_102516460346_100000179811 [0,1,0,1,0,0|2,0,0]=4 21279 B11R1.4 CCOCCNC1CCCC1 270004a_102516460346_100000210133 [0,1,0,1,0,0|2,0,0]=4 21280 B11R1.4 CCOCCNC1CCCC1 34a_100000211070_100000210147 [0,1,0,1,0,0|2,0,0]=4 21281 B11R1.4 CCOCCNC1CCCC1 34a_102516460346_100000179811 [0,1,0,1,0,0|2,0,0]=4 21282 B11R1.4 CCOCCNC1CCCC1 34a_200000200444_100000210202 [0,1,0,1,0,0|2,0,0]=4 21283 B11R1.4 CCOCCNC1CCOC1 2230a_102516460346_100000731011 [0,1,0,1,0,0|2,0,0]=4 21284 B11R1.4 CCOCCNC1CCOC1 270004a_102516460346_100000752484 [0,1,0,1,0,0|2,0,0]=4 21285 B11R1.4 CCOCCNC1CCOC1 34a_102516460346_100000690089 [0,1,0,1,0,0|2,0,0]=4 21286 B11R1.4 CCOCCN[C@@H]1CCOC1 2230a_200015188469_100011215890 [0,1,0,1,0,0|2,0,0]=4 21287 B11R1.4 CCOCCN[C@H]1CCOC1 2230a_100015188467_100011215890 [0,1,0,1,0,0|2,0,0]=4 21288 B11R1.4 CCOCCN[C@H]1CCOC1 34a_100015188467_100000210147 [0,1,0,1,0,0|2,0,0]=4 21289 B11R1.4 CCOCCOC1CCCC1 34a_100000210136_100000179811 [0,1,0,1,0,0|2,0,0]=4 21290 B11R1.4 CCOCCOC1CCCC1 34a_100000210269_100000210147 [0,1,0,1,0,0|2,0,0]=4 21291 B11R1.4 CCOCCOC1CCCC1 34a_100000738311_100000210202 [0,1,0,1,0,0|2,0,0]=4 21292 B11R1.4 CCOCCOC1CCCC1 7a_100000210136_100000179811 [0,1,0,1,0,0|2,0,0]=4 21293 B11R1.4 CCOCCOC1CCCC1 7a_100000210269_100011215890 [0,1,0,1,0,0|2,0,0]=4 21294 B11R1.4 CCOCCOC1CCCC1 7a_100000738311_100000210202 [0,1,0,1,0,0|2,0,0]=4 21295 B11R1.4 CCOCCOC1CCCO1 34a_100000085407_100000210147 [0,1,0,1,0,0|1,0,0]=3 21296 B11R1.4 CCOCCOC1CCOC1 34a_100000210136_100000690089 [0,1,0,1,0,0|2,0,0]=4 21297 B11R1.4 CCOCCOC1CCOC1 7a_100000210136_100000731011 [0,1,0,1,0,0|2,0,0]=4 21298 B11R1.4 CCOCCO[C@H]1CCOC1 34a_100000717292_100000210147 [0,1,0,1,0,0|2,0,0]=4 21299 B11R1.4 CCOCCSC1CCCC1 62a_100000210147_100000179811 [0,1,0,1,0,0|2,0,0]=4 21300 B11R1.4 CCOCCSC1CCCC1 62a_100011217020_100011215890 [0,1,0,1,0,0|2,0,0]=4 21301 B11R1.4 CCOCCSC1CCOC1 62a_100000210147_100000690089 [0,1,0,1,0,0|2,0,0]=4 21302 B11R1.4 CCOCSCC1CCCC1 62a_100000739092_100000740388 [0,1,0,1,0,0|2,0,0]=4 21303 B11R1.4 CCOCSCC1CCCC1 62a_100000740388_100000739092 [0,1,0,1,0,0|2,0,0]=4 21304 B11R1.4 CCOCSCC1CCCO1 62a_100000203698_100000739092 [0,1,0,1,0,0|1,0,0]=3 21305 B11R1.4 CCOCSCC1CCCO1 62a_100000739092_100000203698 [0,1,0,1,0,0|1,0,0]=3 21306 B11R1.4 CCOCSCC1CCOC1 62a_100000702531_100000739092 [0,1,0,1,0,0|2,0,0]=4 21307 B11R1.4 CCOCSCC1CCOC1 62a_100000739092_100000702531 [0,1,0,1,0,0|2,0,0]=4 21308 B11R1.4 CCOCSCC1OCCO1 62a_100000739092_100000755774 [0,1,0,1,0,0|2,0,0]=4 21309 B11R1.4 CCOCSCC1OCCO1 62a_100000755774_100000739092 [0,1,0,1,0,0|2,0,0]=4 21310 B11R1.4 CCSCCCC1CCCC1 62a_100000210202_100011713738 [0,1,0,1,0,0|1,0,0]=3 21311 B11R1.4 CCSCCCC1CCCC1 62a_100011713738_100000210202 [0,1,0,1,0,0|1,0,0]=3 21312 B11R1.4 CCSCCCC1OCCO1 62a_100000210202_100000042513 [0,1,0,1,0,0|1,0,0]=3 21313 B11R1.4 CCSCCCN1CCCC1 62a_100000210202_100011445909 [0,1,0,1,0,0|2,0,0]=4 21314 B11R1.4 CCSCCCN1CCCC1 62a_100016991639_100000210202 [0,1,0,1,0,0|2,0,0]=4 21315 B11R1.4 CCSCCNC1CCCC1 2230a_100000106463_100000179811 [0,1,0,1,0,0|2,0,0]=4 21316 B11R1.4 CCSCCNC1CCCC1 2230a_100000211070_100000757381 [0,1,0,1,0,0|2,0,0]=4 21317 B11R1.4 CCSCCNC1CCCC1 270004a_100000106463_100000210133 [0,1,0,1,0,0|2,0,0]=4 21318 B11R1.4 CCSCCNC1CCCC1 34a_100000211070_100000757381 [0,1,0,1,0,0|2,0,0]=4 21319 B11R1.4 CCSCCNC1CCOC1 2230a_100000106463_100000731011 [0,1,0,1,0,0|2,0,0]=4 21320 B11R1.4 CCSCCNC1CCOC1 270004a_100000106463_100000752484 [0,1,0,1,0,0|2,0,0]=4 21321 B11R1.4 CCSCCN[C@@H]1CCOC1 2230a_200015188469_100000757381 [0,1,0,1,0,0|2,0,0]=4 21322 B11R1.4 CCSCCN[C@H]1CCOC1 2230a_100015188467_100000757381 [0,1,0,1,0,0|2,0,0]=4 21323 B11R1.4 CCSCCN[C@H]1CCOC1 34a_100015188467_100000757381 [0,1,0,1,0,0|2,0,0]=4 21324 B11R1.4 CCSCCOC1CCCC1 34a_100000210269_100000757381 [0,1,0,1,0,0|2,0,0]=4 21325 B11R1.4 CCSCCOC1CCCC1 34a_100000212035_100000179811 [0,1,0,1,0,0|2,0,0]=4 21326 B11R1.4 CCSCCOC1CCCC1 7a_100000210269_100000757381 [0,1,0,1,0,0|2,0,0]=4 21327 B11R1.4 CCSCCOC1CCCC1 7a_100000212035_100000179811 [0,1,0,1,0,0|2,0,0]=4 21328 B11R1.4 CCSCCOC1CCCO1 34a_100000085407_100000757381 [0,1,0,1,0,0|1,0,0]=3 21329 B11R1.4 CCSCCOC1CCOC1 34a_100000212035_100000690089 [0,1,0,1,0,0|2,0,0]=4 21330 B11R1.4 CCSCCOC1CCOC1 7a_100000212035_100000731011 [0,1,0,1,0,0|2,0,0]=4 21331 B11R1.4 CCSCCO[C@H]1CCOC1 34a_100000717292_100000757381 [0,1,0,1,0,0|2,0,0]=4 21332 B11R1.4 CCSCCSC1CCCC1 62a_100000757381_100000179811 [0,1,0,1,0,0|2,0,0]=4 21333 B11R1.4 CCSCCSC1CCCC1 62a_100011217020_100000757381 [0,1,0,1,0,0|2,0,0]=4 21334 B11R1.4 CCSCCSC1CCOC1 62a_100000757381_100000690089 [0,1,0,1,0,0|2,0,0]=4 21335 B11R1.4 CNCCCCC1OCCO1 2230a_106832991635_100000034956 [0,1,0,1,0,0|1,0,0]=3 21336 B11R1.4 CNCCCCC1OCCO1 34a_100102657272_200009813554 [0,1,0,1,0,0|1,0,0]=3 21337 B11R1.4 CNCCCCC1OCCO1 7a_106832991635_100000034956 [0,1,0,1,0,0|1,0,0]=3 21338 B11R1.4 CNCCCOC1CCCC1 34a_100000213112_100000179811 [0,1,0,1,0,0|2,0,0]=4 21339 B11R1.4 CNCCCOC1CCCC1 34a_100000747560_200000210301 [0,1,0,1,0,0|2,0,0]=4 21340 B11R1.4 CNCCCOC1CCOC1 34a_100000213112_100000690089 [0,1,0,1,0,0|2,0,0]=4 21341 B11R1.4 COCCCCC1OCCO1 34a_100138415774_200009813554 [0,1,0,1,0,0|1,0,0]=3 21342 B11R1.4 COCCCCN1CCCC1 2230a_100000188435_100000730899 [0,1,0,1,0,0|1,0,0]=3 21343 B11R1.4 COCCCCN1CCCC1 269982a_100000188435_100000730899 [0,1,0,1,0,0|1,0,0]=3 21344 B11R1.4 COCCCCN1CCSC1 2230a_100011215254_100000730899 [0,1,0,1,0,0|2,0,0]=4 21345 B11R1.4 COCCCCN1CCSC1 269982a_100011215254_100000730899 [0,1,0,1,0,0|2,0,0]=4 21346 B11R1.4 COCCCNC1CCCC1 2230a_100000211070_100000740836 [0,1,0,1,0,0|1,0,0]=3 21347 B11R1.4 COCCCNC1CCCC1 270004a_100150723488_100000210133 [0,1,0,1,0,0|1,0,0]=3 21348 B11R1.4 COCCCNC1CCCC1 34a_100000211070_100000740836 [0,1,0,1,0,0|1,0,0]=3 21349 B11R1.4 COCCCNC1CCCC1 34a_100150723488_100000179811 [0,1,0,1,0,0|1,0,0]=3 21350 B11R1.4 COCCCNC1CCOC1 270004a_100150723488_100000752484 [0,1,0,1,0,0|2,0,0]=4 21351 B11R1.4 COCCCNC1CCOC1 34a_100150723488_100000690089 [0,1,0,1,0,0|2,0,0]=4 21352 B11R1.4 COCCCNC1CCSC1 270004a_100150723488_100000212027 [0,1,0,1,0,0|2,0,0]=4 21353 B11R1.4 COCCCN[C@@H]1CCOC1 2230a_200015188469_100000740836 [0,1,0,1,0,0|2,0,0]=4 21354 B11R1.4 COCCCN[C@H]1CCOC1 2230a_100015188467_100000740836 [0,1,0,1,0,0|2,0,0]=4 21355 B11R1.4 COCCCN[C@H]1CCOC1 34a_100015188467_100000740836 [0,1,0,1,0,0|2,0,0]=4 21356 B11R1.4 COCCCOC1CCCC1 34a_100000210269_100000740836 [0,1,0,1,0,0|1,0,0]=3 21357 B11R1.4 COCCCOC1CCCC1 34a_100000740835_100000179811 [0,1,0,1,0,0|1,0,0]=3 21358 B11R1.4 COCCCOC1CCCC1 7a_100000210269_100000740836 [0,1,0,1,0,0|1,0,0]=3 21359 B11R1.4 COCCCOC1CCCO1 34a_100000085407_100000740836 [0,1,0,1,0,0|1,0,0]=3 21360 B11R1.4 COCCCOC1CCOC1 34a_100000740835_100000690089 [0,1,0,1,0,0|2,0,0]=4 21361 B11R1.4 COCCCOC1CCSC1 7a_100011232664_100000740836 [0,1,0,1,0,0|2,0,0]=4 21362 B11R1.4 COCCCO[C@H]1CCOC1 34a_100000717292_100000740836 [0,1,0,1,0,0|2,0,0]=4 21363 B11R1.4 COCCCSC1CCCC1 62a_100000709357_100000179811 [0,1,0,1,0,0|1,0,0]=3 21364 B11R1.4 COCCCSC1CCCC1 62a_100011217020_100000709357 [0,1,0,1,0,0|1,0,0]=3 21365 B11R1.4 COCCCSC1CCOC1 62a_100000709357_100000690089 [0,1,0,1,0,0|2,0,0]=4 21366 B11R1.4 COCCNCC1CCCC1 2230a_100000209980_100000740388 [0,1,0,1,0,0|1,0,0]=3 21367 B11R1.4 COCCNCC1CCCC1 2230a_100000737975_100011201679 [0,1,0,1,0,0|1,0,0]=3 21368 B11R1.4 COCCNCC1CCCC1 269862a_100000209980_100000746403 [0,1,0,1,0,0|1,0,0]=3 21369 B11R1.4 COCCNCC1CCCC1 34a_100000737975_100011201679 [0,1,0,1,0,0|1,0,0]=3 21370 B11R1.4 COCCNCC1CCCO1 2230a_100000209980_100000203698 [0,1,0,1,0,0|1,0,0]=3 21371 B11R1.4 COCCNCC1CCOC1 2230a_100000209980_100000702531 [0,1,0,1,0,0|2,0,0]=4 21372 B11R1.4 COCCNCC1CCOC1 2230a_100000737293_100011201679 [0,1,0,1,0,0|2,0,0]=4 21373 B11R1.4 COCCNCC1CCOC1 34a_100000737293_100011201679 [0,1,0,1,0,0|2,0,0]=4 21374 B11R1.4 COCCNCC1OCCO1 2230a_100000036311_100011201679 [0,1,0,1,0,0|2,0,0]=4 21375 B11R1.4 COCCNCC1OCCO1 2230a_100000209980_100000755774 [0,1,0,1,0,0|2,0,0]=4 21376 B11R1.4 COCCNCC1OCCO1 34a_100000036311_100011201679 [0,1,0,1,0,0|2,0,0]=4 21377 B11R1.4 COCCNC[C@@H]1CCCO1 2230a_100020590478_100011201679 [0,1,0,1,0,0|1,0,0]=3 21378 B11R1.4 COCCNC[C@@H]1CCCO1 34a_100020590478_100011201679 [0,1,0,1,0,0|1,0,0]=3 21379 B11R1.4 COCCOCC1CCCC1 34a_100000210237_100000740388 [0,1,0,1,0,0|1,0,0]=3 21380 B11R1.4 COCCOCC1CCCC1 34a_100000742336_100011201679 [0,1,0,1,0,0|1,0,0]=3 21381 B11R1.4 COCCOCC1CCCC1 7a_100000742336_100000233755 [0,1,0,1,0,0|1,0,0]=3 21382 B11R1.4 COCCOCC1CCCO1 34a_100000210270_100011201679 [0,1,0,1,0,0|1,0,0]=3 21383 B11R1.4 COCCOCC1CCCO1 7a_100000210270_100000233755 [0,1,0,1,0,0|1,0,0]=3 21384 B11R1.4 COCCOCC1CCNC1 34a_100000748654_100011201679 [0,1,0,1,0,0|2,0,0]=4 21385 B11R1.4 COCCOCC1CCOC1 34a_100000210237_100011261433 [0,1,0,1,0,0|2,0,0]=4 21386 B11R1.4 COCCOCC1CCOC1 34a_100000740260_100011201679 [0,1,0,1,0,0|2,0,0]=4 21387 B11R1.4 COCCOCC1COCO1 34a_100011216627_100011201679 [0,1,0,1,0,0|2,0,0]=4 21388 B11R1.4 COCCOCC1OCCO1 34a_100000087154_100011201679 [0,1,0,1,0,0|2,0,0]=4 21389 B11R1.4 COCCOCC1OCCO1 34a_100000210237_100000755774 [0,1,0,1,0,0|2,0,0]=4 21390 B11R1.4 COCCOCN1CCCC1 2230a_100000188435_100000231047 [0,1,0,1,0,0|2,0,0]=4 21391 B11R1.4 COCCOCN1CCCC1 269982a_100000188435_100000231047 [0,1,0,1,0,0|2,0,0]=4 21392 B11R1.4 COCCOC[C@H]1CCCN1 34a_100000745186_100011201679 [0,1,0,1,0,0|2,0,0]=4 21393 B11R1.4 COCCSCC1CCCC1 62a_100000233755_100000740388 [0,1,0,1,0,0|1,0,0]=3 21394 B11R1.4 COCCSCC1CCCC1 62a_100000740388_100000233755 [0,1,0,1,0,0|1,0,0]=3 21395 B11R1.4 COCCSCC1CCCO1 62a_100000203698_100000233755 [0,1,0,1,0,0|1,0,0]=3 21396 B11R1.4 COCCSCC1CCCO1 62a_100000233755_100000203698 [0,1,0,1,0,0|1,0,0]=3 21397 B11R1.4 COCCSCC1CCOC1 62a_100000233755_100000702531 [0,1,0,1,0,0|2,0,0]=4 21398 B11R1.4 COCCSCC1CCOC1 62a_100000702531_100000233755 [0,1,0,1,0,0|2,0,0]=4 21399 B11R1.4 COCCSCC1OCCO1 62a_100000233755_100000755774 [0,1,0,1,0,0|2,0,0]=4 21400 B11R1.4 COCCSCC1OCCO1 62a_100000755774_100000233755 [0,1,0,1,0,0|2,0,0]=4 21401 B11R1.4 COCNCCC1CCCC1 2230a_100000739158_100000766300 [0,1,0,1,0,0|1,0,0]=3 21402 B11R1.4 COCNCCC1OCCO1 2230a_100000034215_100000766300 [0,1,0,1,0,0|2,0,0]=4 21403 B11R1.4 COCSCCC1CCCC1 62a_100000760354_100000766300 [0,1,0,1,0,0|1,0,0]=3 21404 B11R1.4 COCSCCC1CCCC1 62a_100000766300_100000760354 [0,1,0,1,0,0|1,0,0]=3 21405 B11R1.4 COCSCCC1OCCO1 62a_100000766300_100000740749 [0,1,0,1,0,0|2,0,0]=4 21406 B11R1.4 COCSCCN1CCCC1 62a_100000700749_100000766300 [0,1,0,1,0,0|2,0,0]=4 21407 B11R1.4 COCSCCN1CCCC1 62a_100000766300_100000004467 [0,1,0,1,0,0|2,0,0]=4 21408 B11R1.4 CSCCCCC1OCCO1 62a_200000210301_100000034956 [0,1,0,1,0,0|1,0,0]=3 21409 B11R1.4 CSCCCNC1CCCC1 2230a_100000749238_100000179811 [0,1,0,1,0,0|1,1,0]=4 21410 B11R1.4 CSCCCNC1CCCC1 270004a_100000749238_100000210133 [0,1,0,1,0,0|1,1,0]=4 21411 B11R1.4 CSCCCNC1CCOC1 2230a_100000749238_100000731011 [0,1,0,1,0,0|2,0,0]=4 21412 B11R1.4 CSCCCNC1CCOC1 270004a_100000749238_100000752484 [0,1,0,1,0,0|2,0,0]=4 21413 B11R1.4 CSCCCOC1CCCC1 34a_100000690336_100000179811 [0,1,0,1,0,0|1,1,0]=4 21414 B11R1.4 CSCCCOC1CCCC1 7a_100000690336_100000179811 [0,1,0,1,0,0|1,1,0]=4 21415 B11R1.4 CSCCCOC1CCOC1 34a_100000690336_100000690089 [0,1,0,1,0,0|2,0,0]=4 21416 B11R1.4 CSCCCOC1CCOC1 7a_100000690336_100000731011 [0,1,0,1,0,0|2,0,0]=4 21417 B11R1.4 CSCCNCC1CCCC1 2230a_100000737975_100000751147 [0,1,0,1,0,0|1,1,0]=4 21418 B11R1.4 CSCCNCC1CCCC1 2230a_100020590264_100000740388 [0,1,0,1,0,0|1,1,0]=4 21419 B11R1.4 CSCCNCC1CCCC1 269862a_100020590264_100000746403 [0,1,0,1,0,0|1,1,0]=4 21420 B11R1.4 CSCCNCC1CCCC1 34a_100000737975_100000212216 [0,1,0,1,0,0|1,1,0]=4 21421 B11R1.4 CSCCNCC1CCCO1 2230a_100020590264_100000203698 [0,1,0,1,0,0|1,0,0]=3 21422 B11R1.4 CSCCNCC1CCOC1 2230a_100000737293_100000751147 [0,1,0,1,0,0|2,0,0]=4 21423 B11R1.4 CSCCNCC1CCOC1 2230a_100020590264_100000702531 [0,1,0,1,0,0|2,0,0]=4 21424 B11R1.4 CSCCNCC1CCOC1 34a_100000737293_100000212216 [0,1,0,1,0,0|2,0,0]=4 21425 B11R1.4 CSCCNCC1OCCO1 2230a_100000036311_100000751147 [0,1,0,1,0,0|2,0,0]=4 21426 B11R1.4 CSCCNCC1OCCO1 2230a_100020590264_100000755774 [0,1,0,1,0,0|2,0,0]=4 21427 B11R1.4 CSCCNCC1OCCO1 34a_100000036311_100000212216 [0,1,0,1,0,0|2,0,0]=4 21428 B11R1.4 CSCCNC[C@@H]1CCCO1 2230a_100020590478_100000751147 [0,1,0,1,0,0|1,0,0]=3 21429 B11R1.4 CSCCNC[C@@H]1CCCO1 34a_100020590478_100000212216 [0,1,0,1,0,0|1,0,0]=3 21430 B11R1.4 CSCCOCC1CCCC1 34a_100000230434_100000740388 [0,1,0,1,0,0|1,1,0]=4 21431 B11R1.4 CSCCOCC1CCCC1 34a_100000742336_100000212216 [0,1,0,1,0,0|1,1,0]=4 21432 B11R1.4 CSCCOCC1CCCC1 7a_100000230434_100000740388 [0,1,0,1,0,0|1,1,0]=4 21433 B11R1.4 CSCCOCC1CCCC1 7a_100000742336_100000212216 [0,1,0,1,0,0|1,1,0]=4 21434 B11R1.4 CSCCOCC1CCCO1 34a_100000210270_100000212216 [0,1,0,1,0,0|1,0,0]=3 21435 B11R1.4 CSCCOCC1CCCO1 7a_100000210270_100000212216 [0,1,0,1,0,0|1,0,0]=3 21436 B11R1.4 CSCCOCC1CCCO1 7a_100000230434_100000203698 [0,1,0,1,0,0|1,0,0]=3 21437 B11R1.4 CSCCOCC1CCOC1 34a_100000230434_100011261433 [0,1,0,1,0,0|2,0,0]=4 21438 B11R1.4 CSCCOCC1CCOC1 34a_100000740260_100000212216 [0,1,0,1,0,0|2,0,0]=4 21439 B11R1.4 CSCCOCC1CCOC1 7a_100000230434_100000702531 [0,1,0,1,0,0|2,0,0]=4 21440 B11R1.4 CSCCOCC1COCO1 34a_100011216627_100000212216 [0,1,0,1,0,0|2,0,0]=4 21441 B11R1.4 CSCCOCC1OCCO1 34a_100000087154_100000212216 [0,1,0,1,0,0|2,0,0]=4 21442 B11R1.4 CSCCOCC1OCCO1 34a_100000230434_100000755774 [0,1,0,1,0,0|2,0,0]=4 21443 B11R1.4 CSCCOCC1OCCO1 7a_100000230434_100000755774 [0,1,0,1,0,0|2,0,0]=4 21444 B11R1.4 CSCCOC[C@H]1CCCN1 34a_100000745186_100000212216 [0,1,0,1,0,0|2,0,0]=4 21445 B11R1.4 CSCCSCC1CCCC1 62a_100000212216_100000740388 [0,1,0,1,0,0|1,1,0]=4 21446 B11R1.4 CSCCSCC1CCCC1 62a_100000740388_100000751147 [0,1,0,1,0,0|1,1,0]=4 21447 B11R1.4 CSCCSCC1CCCO1 62a_100000203698_100000751147 [0,1,0,1,0,0|1,0,0]=3 21448 B11R1.4 CSCCSCC1CCCO1 62a_100000212216_100000203698 [0,1,0,1,0,0|1,0,0]=3 21449 B11R1.4 CSCCSCC1CCOC1 62a_100000212216_100000702531 [0,1,0,1,0,0|2,0,0]=4 21450 B11R1.4 CSCCSCC1CCOC1 62a_100000702531_100000751147 [0,1,0,1,0,0|2,0,0]=4 21451 B11R1.4 CSCCSCC1OCCO1 62a_100000212216_100000755774 [0,1,0,1,0,0|2,0,0]=4 21452 B11R1.4 CSCCSCC1OCCO1 62a_100000755774_100000751147 [0,1,0,1,0,0|2,0,0]=4 21453 B11R1.4 CSCNCCC1CCCC1 2230a_100000739158_100011218213 [0,1,0,1,0,0|1,1,0]=4 21454 B11R1.4 CSCNCCC1CCCC1 34a_100000739158_100011218213 [0,1,0,1,0,0|1,1,0]=4 21455 B11R1.4 CSCNCCC1OCCO1 2230a_100000034215_100011218213 [0,1,0,1,0,0|2,0,0]=4 21456 B11R1.4 CSCNCCC1OCCO1 34a_100000034215_100011218213 [0,1,0,1,0,0|2,0,0]=4 21457 B11R1.4 CSCOCCC1CCCC1 34a_100000749090_100011218213 [0,1,0,1,0,0|1,1,0]=4 21458 B11R1.4 CSCOCCC1CCOC1 34a_100011879284_100011218213 [0,1,0,1,0,0|2,0,0]=4 21459 B11R1.4 CSCSCCC1CCCC1 62a_100000760354_100011218213 [0,1,0,1,0,0|1,1,0]=4 21460 B11R1.4 CSCSCCC1CCCC1 62a_100011218213_100000760354 [0,1,0,1,0,0|1,1,0]=4 21461 B11R1.4 CSCSCCC1OCCO1 62a_100011218213_100000740749 [0,1,0,1,0,0|2,0,0]=4 21462 B11R1.4 ClCCCCOC1CCCC1 34a_100000210776_100000179811 [0,1,0,1,0,0|1,0,0]=3 21463 B11R1.4 ClCCCCOC1CCCC1 7a_100000210776_100000179811 [0,1,0,1,0,0|1,0,0]=3 21464 B11R1.4 ClCCCCOC1CCOC1 34a_100000210776_100000690089 [0,1,0,1,0,0|2,0,0]=4 21465 B11R1.4 ClCCCCOC1CCOC1 7a_100000210776_100000731011 [0,1,0,1,0,0|2,0,0]=4 21466 B11R1.4 ClCCCOCC1CCCC1 34a_100000230001_100000740388 [0,1,0,1,0,0|1,0,0]=3 21467 B11R1.4 ClCCCOCC1CCOC1 34a_100000230001_100011261433 [0,1,0,1,0,0|2,0,0]=4 21468 B11R1.4 ClCCCOCC1OCCO1 34a_100000230001_100000755774 [0,1,0,1,0,0|2,0,0]=4 21469 B11R1.4 FCCCCCN1CCCC1 2230a_100000188435_100000729378 [0,1,0,1,0,0|1,0,0]=3 21470 B11R1.4 FCCCCCN1CCCC1 269982a_100000188435_100000729378 [0,1,0,1,0,0|1,0,0]=3 21471 B11R1.4 FCCCCCN1CCSC1 2230a_100011215254_100000729378 [0,1,0,1,0,0|2,0,0]=4 21472 B11R1.4 FCCCCCN1CCSC1 269982a_100011215254_100000729378 [0,1,0,1,0,0|2,0,0]=4 21473 B11R1.4 FCCCCNC1CCCC1 2230a_100000211070_100000729493 [0,1,0,1,0,0|1,0,0]=3 21474 B11R1.4 FCCCCNC1CCCC1 34a_100000211070_100000729493 [0,1,0,1,0,0|1,0,0]=3 21475 B11R1.4 FCCCCN[C@@H]1CCOC1 2230a_200015188469_100000729493 [0,1,0,1,0,0|2,0,0]=4 21476 B11R1.4 FCCCCN[C@H]1CCOC1 2230a_100015188467_100000729493 [0,1,0,1,0,0|2,0,0]=4 21477 B11R1.4 FCCCCN[C@H]1CCOC1 34a_100015188467_100000729493 [0,1,0,1,0,0|2,0,0]=4 21478 B11R1.4 FCCCCOC1CCCC1 34a_100000210269_100000729493 [0,1,0,1,0,0|1,0,0]=3 21479 B11R1.4 FCCCCOC1CCCC1 34a_100011995726_100000179811 [0,1,0,1,0,0|1,0,0]=3 21480 B11R1.4 FCCCCOC1CCCC1 7a_100000210269_100000729493 [0,1,0,1,0,0|1,0,0]=3 21481 B11R1.4 FCCCCOC1CCCC1 7a_100011995726_100000179811 [0,1,0,1,0,0|1,0,0]=3 21482 B11R1.4 FCCCCOC1CCCO1 34a_100000085407_100000729493 [0,1,0,1,0,0|1,0,0]=3 21483 B11R1.4 FCCCCOC1CCOC1 34a_100011995726_100000690089 [0,1,0,1,0,0|2,0,0]=4 21484 B11R1.4 FCCCCOC1CCOC1 7a_100011995726_100000731011 [0,1,0,1,0,0|2,0,0]=4 21485 B11R1.4 FCCCCOC1CCSC1 7a_100011232664_100000729493 [0,1,0,1,0,0|2,0,0]=4 21486 B11R1.4 FCCCCO[C@H]1CCOC1 34a_100000717292_100000729493 [0,1,0,1,0,0|2,0,0]=4 21487 B11R1.4 FCCCCSC1CCCC1 62a_100000729493_100000179811 [0,1,0,1,0,0|1,0,0]=3 21488 B11R1.4 FCCCCSC1CCCC1 62a_100011217020_100000729493 [0,1,0,1,0,0|1,0,0]=3 21489 B11R1.4 FCCCCSC1CCOC1 62a_100000729493_100000690089 [0,1,0,1,0,0|2,0,0]=4 21490 B11R1.4 FCCCNCC1CCCC1 2230a_100000737975_100011934791 [0,1,0,1,0,0|1,0,0]=3 21491 B11R1.4 FCCCNCC1CCCC1 2230a_100015189416_100000740388 [0,1,0,1,0,0|1,0,0]=3 21492 B11R1.4 FCCCNCC1CCCC1 269862a_100015189416_100000746403 [0,1,0,1,0,0|1,0,0]=3 21493 B11R1.4 FCCCNCC1CCCC1 34a_100000737975_100011934791 [0,1,0,1,0,0|1,0,0]=3 21494 B11R1.4 FCCCNCC1CCCC1 34a_100015189416_100000740388 [0,1,0,1,0,0|1,0,0]=3 21495 B11R1.4 FCCCNCC1CCCO1 2230a_100015189416_100000203698 [0,1,0,1,0,0|1,0,0]=3 21496 B11R1.4 FCCCNCC1CCOC1 2230a_100000737293_100011934791 [0,1,0,1,0,0|2,0,0]=4 21497 B11R1.4 FCCCNCC1CCOC1 2230a_100015189416_100000702531 [0,1,0,1,0,0|2,0,0]=4 21498 B11R1.4 FCCCNCC1CCOC1 34a_100000737293_100011934791 [0,1,0,1,0,0|2,0,0]=4 21499 B11R1.4 FCCCNCC1CCOC1 34a_100015189416_100011261433 [0,1,0,1,0,0|2,0,0]=4 21500 B11R1.4 FCCCNCC1OCCO1 2230a_100000036311_100011934791 [0,1,0,1,0,0|2,0,0]=4 21501 B11R1.4 FCCCNCC1OCCO1 2230a_100015189416_100000755774 [0,1,0,1,0,0|2,0,0]=4 21502 B11R1.4 FCCCNCC1OCCO1 34a_100000036311_100011934791 [0,1,0,1,0,0|2,0,0]=4 21503 B11R1.4 FCCCNCC1OCCO1 34a_100015189416_100000755774 [0,1,0,1,0,0|2,0,0]=4 21504 B11R1.4 FCCCNC[C@@H]1CCCO1 2230a_100020590478_100011934791 [0,1,0,1,0,0|1,0,0]=3 21505 B11R1.4 FCCCNC[C@@H]1CCCO1 34a_100020590478_100011934791 [0,1,0,1,0,0|1,0,0]=3 21506 B11R1.4 FCCCOCC1CCCC1 34a_100000742336_100011934791 [0,1,0,1,0,0|1,0,0]=3 21507 B11R1.4 FCCCOCC1CCCC1 34a_100000759539_100000740388 [0,1,0,1,0,0|1,0,0]=3 21508 B11R1.4 FCCCOCC1CCCC1 7a_100000742336_100011934791 [0,1,0,1,0,0|1,0,0]=3 21509 B11R1.4 FCCCOCC1CCCO1 34a_100000210270_100011934791 [0,1,0,1,0,0|1,0,0]=3 21510 B11R1.4 FCCCOCC1CCCO1 7a_100000210270_100011934791 [0,1,0,1,0,0|1,0,0]=3 21511 B11R1.4 FCCCOCC1CCNC1 34a_100000748654_100011934791 [0,1,0,1,0,0|2,0,0]=4 21512 B11R1.4 FCCCOCC1CCOC1 34a_100000740260_100011934791 [0,1,0,1,0,0|2,0,0]=4 21513 B11R1.4 FCCCOCC1CCOC1 34a_100000759539_100011261433 [0,1,0,1,0,0|2,0,0]=4 21514 B11R1.4 FCCCOCC1COCO1 34a_100011216627_100011934791 [0,1,0,1,0,0|2,0,0]=4 21515 B11R1.4 FCCCOCC1OCCO1 34a_100000087154_100011934791 [0,1,0,1,0,0|2,0,0]=4 21516 B11R1.4 FCCCOCC1OCCO1 34a_100000759539_100000755774 [0,1,0,1,0,0|2,0,0]=4 21517 B11R1.4 FCCCOC[C@H]1CCCN1 34a_100000745186_100011934791 [0,1,0,1,0,0|2,0,0]=4 21518 B11R1.4 FCCCSCC1CCCC1 62a_100000740388_100011934791 [0,1,0,1,0,0|1,0,0]=3 21519 B11R1.4 FCCCSCC1CCCC1 62a_100011934791_100000740388 [0,1,0,1,0,0|1,0,0]=3 21520 B11R1.4 FCCCSCC1CCCO1 62a_100000203698_100011934791 [0,1,0,1,0,0|1,0,0]=3 21521 B11R1.4 FCCCSCC1CCCO1 62a_100011934791_100000203698 [0,1,0,1,0,0|1,0,0]=3 21522 B11R1.4 FCCCSCC1CCOC1 62a_100000702531_100011934791 [0,1,0,1,0,0|2,0,0]=4 21523 B11R1.4 FCCCSCC1CCOC1 62a_100011934791_100000702531 [0,1,0,1,0,0|2,0,0]=4 21524 B11R1.4 FCCCSCC1OCCO1 62a_100000755774_100011934791 [0,1,0,1,0,0|2,0,0]=4 21525 B11R1.4 FCCCSCC1OCCO1 62a_100011934791_100000755774 [0,1,0,1,0,0|2,0,0]=4 21526 B11R1.4 FCCNCCC1CCCC1 2230a_100000739158_100011217306 [0,1,0,1,0,0|1,0,0]=3 21527 B11R1.4 FCCNCCC1CCCC1 34a_100000724931_100000760354 [0,1,0,1,0,0|1,0,0]=3 21528 B11R1.4 FCCNCCC1CCCC1 34a_100000739158_100011217306 [0,1,0,1,0,0|1,0,0]=3 21529 B11R1.4 FCCNCCC1OCCO1 2230a_100000034215_100011217306 [0,1,0,1,0,0|2,0,0]=4 21530 B11R1.4 FCCNCCC1OCCO1 34a_100000034215_100011217306 [0,1,0,1,0,0|2,0,0]=4 21531 B11R1.4 FCCNCCC1OCCO1 34a_100000724931_100000740749 [0,1,0,1,0,0|2,0,0]=4 21532 B11R1.4 FCCOCCC1CCCC1 34a_100000749090_100011217306 [0,1,0,1,0,0|1,0,0]=3 21533 B11R1.4 FCCOCCC1CCCC1 7a_100000749090_100011217306 [0,1,0,1,0,0|1,0,0]=3 21534 B11R1.4 FCCOCCC1CCNC1 34a_100016987287_100011217306 [0,1,0,1,0,0|2,0,0]=4 21535 B11R1.4 FCCOCCC1CCOC1 34a_100011879284_100011217306 [0,1,0,1,0,0|2,0,0]=4 21536 B11R1.4 FCCSCCC1CCCC1 62a_100000760354_100011217306 [0,1,0,1,0,0|1,0,0]=3 21537 B11R1.4 FCCSCCC1CCCC1 62a_100011217306_100000760354 [0,1,0,1,0,0|1,0,0]=3 21538 B11R1.4 FCCSCCC1OCCO1 62a_100011217306_100000740749 [0,1,0,1,0,0|2,0,0]=4 21539 B11R1.4 FCCSCCN1CCCC1 62a_100000700749_100011217306 [0,1,0,1,0,0|2,0,0]=4 21540 B11R1.4 FCCSCCN1CCCC1 62a_100011217306_100000004467 [0,1,0,1,0,0|2,0,0]=4 21541 B11R1.4 FCNCCCC1CCCC1 34a_100000736752_100015361967 [0,1,0,1,0,0|1,0,0]=3 21542 B11R1.4 FCNCCOC1CCCC1 34a_100000741755_100015361967 [0,1,0,1,0,0|2,0,0]=4 21543 B11R1.4 FCOCCCC1CCCC1 34a_100011215328_100015361967 [0,1,0,1,0,0|1,0,0]=3 21544 B11R1.4 FCOCCCC1CCCC1 7a_100011215328_100015361967 [0,1,0,1,0,0|1,0,0]=3 21545 B11R1.4 FCOCCCC1OCCO1 34a_100009871617_100015361967 [0,1,0,1,0,0|2,0,0]=4 21546 B11R1.4 FCOCCCC1OCCO1 7a_100009871617_100015361967 [0,1,0,1,0,0|2,0,0]=4 21547 B11R1.4 FCOCCNC1CCCC1 34a_200000200444_100015361967 [0,1,0,1,0,0|2,0,0]=4 21548 B11R1.4 FCOCCOC1CCCC1 34a_100000738311_100015361967 [0,1,0,1,0,0|2,0,0]=4 21549 B11R1.4 FCOCCOC1CCCC1 7a_100000738311_100015361967 [0,1,0,1,0,0|2,0,0]=4 21550 B11R1.4 FCSCCCC1CCCC1 62a_100011713738_100015361967 [0,1,0,1,0,0|1,0,0]=3 21551 B11R1.4 FCSCCCC1CCCC1 62a_100015361967_100011713738 [0,1,0,1,0,0|1,0,0]=3 21552 B11R1.4 FCSCCCC1OCCO1 62a_100015361967_100000042513 [0,1,0,1,0,0|2,0,0]=4 21553 B11R1.4 FCSCCCN1CCCC1 62a_100015361967_100011445909 [0,1,0,1,0,0|2,0,0]=4 21554 B11R1.4 FCSCCCN1CCCC1 62a_100016991639_100015361967 [0,1,0,1,0,0|2,0,0]=4 21555 B11R1.4 ICCCCOC1CCCC1 34a_200012148704_100000179811 [0,1,0,1,0,0|1,0,0]=3 21556 B11R1.4 ICCCCOC1CCOC1 34a_200012148704_100000690089 [0,1,0,1,0,0|2,0,0]=4 21557 B11R1.4 N#CCCCCN1CCCC1 2230a_100000188435_100000211819 [0,1,0,1,0,0|1,0,1]=4 21558 B11R1.4 N#CCCCCN1CCCC1 269982a_100000188435_100011219923 [0,1,0,1,0,0|1,0,1]=4 21559 B11R1.4 N#CCCCNC1CCCC1 2230a_100000211070_100000687738 [0,1,0,1,0,0|1,0,1]=4 21560 B11R1.4 N#CCCCOC1CCCC1 7a_100000210269_100000687738 [0,1,0,1,0,0|1,0,1]=4 21561 B11R1.4 N#CCCCSC1CCCC1 62a_100000687738_100000179811 [0,1,0,1,0,0|1,0,1]=4 21562 B11R1.4 N#CCCCSC1CCCC1 62a_100011217020_100000687738 [0,1,0,1,0,0|1,0,1]=4 21563 B11R1.4 N#CCCNCC1CCCC1 2230a_100000737975_100011215226 [0,1,0,1,0,0|1,0,1]=4 21564 B11R1.4 N#CCCNC[C@@H]1CCCO1 2230a_100020590478_100011215226 [0,1,0,1,0,0|1,0,1]=4 21565 B11R1.4 N#CCCOCC1CCCC1 7a_100000742336_100000184422 [0,1,0,1,0,0|1,0,1]=4 21566 B11R1.4 N#CCCOCC1CCCO1 7a_100000210270_100000184422 [0,1,0,1,0,0|1,0,1]=4 21567 B11R1.4 N#CCCSCC1CCCC1 62a_100000740388_100011215226 [0,1,0,1,0,0|1,0,1]=4 21568 B11R1.4 N#CCCSCC1CCCC1 62a_100011215226_100000740388 [0,1,0,1,0,0|1,0,1]=4 21569 B11R1.4 N#CCCSCC1CCCO1 62a_100000203698_100011215226 [0,1,0,1,0,0|1,0,1]=4 21570 B11R1.4 N#CCCSCC1CCCO1 62a_100011215226_100000203698 [0,1,0,1,0,0|1,0,1]=4 21571 B11R1.4 N#CCNCCC1CCCC1 2230a_100000739158_100011215382 [0,1,0,1,0,0|1,0,1]=4 21572 B11R1.4 N#CCOCCC1CCCC1 7a_100000749090_100011215382 [0,1,0,1,0,0|1,0,1]=4 21573 B11R1.4 N#CCSCCC1CCCC1 62a_100000760354_100011215382 [0,1,0,1,0,0|1,0,1]=4 21574 B11R1.4 N#CCSCCC1CCCC1 62a_100011215382_100000760354 [0,1,0,1,0,0|1,0,1]=4 21575 B11R1.4 NCCCCOC1CCCC1 34a_100000750430_100000179811 [0,1,0,1,0,0|1,0,0]=3 21576 B11R1.4 NCCCCOC1CCOC1 34a_100000750430_100000690089 [0,1,0,1,0,0|2,0,0]=4 21577 B11R1.4 NCCCOCC1CCCC1 34a_100000182051_100000740388 [0,1,0,1,0,0|1,0,0]=3 21578 B11R1.4 NCCCOCC1CCOC1 34a_100000182051_100011261433 [0,1,0,1,0,0|2,0,0]=4 21579 B11R1.4 NCCCOCC1OCCO1 34a_100000182051_100000755774 [0,1,0,1,0,0|2,0,0]=4 21580 B11R1.4 NCCOCCC1CCCC1 34a_100000210304_100000760354 [0,1,0,1,0,0|1,0,0]=3 21581 B11R1.4 NCCOCCC1OCCO1 34a_100000210304_100000740749 [0,1,0,1,0,0|2,0,0]=4 21582 B11R1.4 NOCCOCC1CCCC1 34a_100000700252_100000740388 [0,1,0,1,0,0|1,0,0]=3 21583 B11R1.4 NOCCOCC1CCOC1 34a_100000700252_100011261433 [0,1,0,1,0,0|2,0,0]=4 21584 B11R1.4 O=CCCCCN1CCCC1 2230a_100000188435_100000139335 [0,1,0,1,0,0|0,0,2]=4 21585 B11R1.4 O=CCCCCN1CCCC1 269982a_100000188435_100000139335 [0,1,0,1,0,0|0,0,2]=4 21586 B11R1.4 O=CCCCNC1CCCC1 2230a_100000211070_200011292268 [0,1,0,1,0,0|0,0,2]=4 21587 B11R1.4 O=CCCCOC1CCCC1 7a_100000210269_200011292268 [0,1,0,1,0,0|0,0,2]=4 21588 B11R1.4 O=CCCCSC1CCCC1 62a_100011217020_200011292268 [0,1,0,1,0,0|0,0,2]=4 21589 B11R1.4 O=CCCCSC1CCCC1 62a_200011292268_100000179811 [0,1,0,1,0,0|0,0,2]=4 21590 B11R1.4 O=CCNCCC1CCCC1 2230a_100000739158_200015260668 [0,1,0,1,0,0|0,0,2]=4 21591 B11R1.4 O=CCNCCC1CCCC1 34a_100000739158_200009817547 [0,1,0,1,0,0|0,0,2]=4 21592 B11R1.4 O=CCOCCC1CCCC1 34a_100000749090_200009817547 [0,1,0,1,0,0|0,0,2]=4 21593 B11R1.4 O=CCOCCC1CCCC1 7a_100000749090_200015260668 [0,1,0,1,0,0|0,0,2]=4 21594 B11R1.4 O=CCSCCC1CCCC1 62a_100000760354_200015260668 [0,1,0,1,0,0|0,0,2]=4 21595 B11R1.4 O=CCSCCC1CCCC1 62a_200015260668_100000760354 [0,1,0,1,0,0|0,0,2]=4 21596 B11R1.4 OCC#CCNC1CCCC1 2230a_100000211070_200000047223 [0,1,0,1,0,0|0,0,2]=4 21597 B11R1.4 OCC#CCNC1CCCC1 34a_100000211070_200000047223 [0,1,0,1,0,0|0,0,2]=4 21598 B11R1.4 OCC#CCOC1CCCC1 34a_100000210269_200000047223 [0,1,0,1,0,0|0,0,2]=4 21599 B11R1.4 OCC#CCOC1CCCC1 7a_100000210269_200000047223 [0,1,0,1,0,0|0,0,2]=4 21600 B11R1.4 OCC#CCSC1CCCC1 62a_100011217020_200000047223 [0,1,0,1,0,0|0,0,2]=4 21601 B11R1.4 OCC#CCSC1CCCC1 62a_200000047223_100000179811 [0,1,0,1,0,0|0,0,2]=4 21602 B11R1.4 OCCCCCN1CC=CC1 269982a_100015195280_100000746330 [0,1,0,1,0,0|0,0,2]=4 21603 B11R1.4 OCCCCCN1CCCC1 2230a_100000188435_100000746330 [0,1,0,1,0,0|0,0,0]=2 21604 B11R1.4 OCCCCCN1CCCC1 269982a_100000188435_100000746330 [0,1,0,1,0,0|0,0,0]=2 21605 B11R1.4 OCCCCCN1CCSC1 2230a_100011215254_100000746330 [0,1,0,1,0,0|1,0,0]=3 21606 B11R1.4 OCCCCCN1CCSC1 269982a_100011215254_100000746330 [0,1,0,1,0,0|1,0,0]=3 21607 B11R1.4 OCCCCNC1CC=CC1 2230a_100015188752_100000210776 [0,1,0,1,0,0|0,0,2]=4 21608 B11R1.4 OCCCCNC1CCCC1 2230a_100000211070_100000210776 [0,1,0,1,0,0|0,0,0]=2 21609 B11R1.4 OCCCCNC1CCCC1 2230a_100000750430_100000179811 [0,1,0,1,0,0|0,0,0]=2 21610 B11R1.4 OCCCCNC1CCCC1 270004a_100000750430_100000210133 [0,1,0,1,0,0|0,0,0]=2 21611 B11R1.4 OCCCCNC1CCCC1 34a_100000211070_100011216708 [0,1,0,1,0,0|0,0,0]=2 21612 B11R1.4 OCCCCNC1CCCC1 34a_100000750430_100000179811 [0,1,0,1,0,0|0,0,0]=2 21613 B11R1.4 OCCCCNC1CCOC1 2230a_100000750430_100000731011 [0,1,0,1,0,0|1,0,0]=3 21614 B11R1.4 OCCCCNC1CCOC1 270004a_100000750430_100000752484 [0,1,0,1,0,0|1,0,0]=3 21615 B11R1.4 OCCCCNC1CCOC1 34a_100000750430_100000690089 [0,1,0,1,0,0|1,0,0]=3 21616 B11R1.4 OCCCCNC1CCSC1 270004a_100000750430_100000212027 [0,1,0,1,0,0|1,0,0]=3 21617 B11R1.4 OCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210776 [0,1,0,1,0,0|1,0,0]=3 21618 B11R1.4 OCCCCN[C@H]1CCOC1 2230a_100015188467_100000210776 [0,1,0,1,0,0|1,0,0]=3 21619 B11R1.4 OCCCCN[C@H]1CCOC1 34a_100015188467_100011216708 [0,1,0,1,0,0|1,0,0]=3 21620 B11R1.4 OCCCCOC1CCCC1 34a_100000210269_100011216708 [0,1,0,1,0,0|0,0,0]=2 21621 B11R1.4 OCCCCOC1CCCC1 7a_100000210269_100000210776 [0,1,0,1,0,0|0,0,0]=2 21622 B11R1.4 OCCCCOC1CCCO1 34a_100000085407_100011216708 [0,1,0,1,0,0|1,0,0]=3 21623 B11R1.4 OCCCCOC1CCSC1 7a_100011232664_100000210776 [0,1,0,1,0,0|1,0,0]=3 21624 B11R1.4 OCCCCO[C@H]1CCOC1 34a_100000717292_100011216708 [0,1,0,1,0,0|1,0,0]=3 21625 B11R1.4 OCCCCSC1CCCC1 62a_100000210776_100000179811 [0,1,0,1,0,0|0,0,0]=2 21626 B11R1.4 OCCCCSC1CCCC1 62a_100011217020_100000210776 [0,1,0,1,0,0|0,0,0]=2 21627 B11R1.4 OCCCCSC1CCOC1 62a_100000210776_100000690089 [0,1,0,1,0,0|1,0,0]=3 21628 B11R1.4 OCCCNCC1CCCC1 2230a_100000737975_100000230001 [0,1,0,1,0,0|0,0,0]=2 21629 B11R1.4 OCCCNCC1CCCC1 269862a_100000182051_100000746403 [0,1,0,1,0,0|0,0,0]=2 21630 B11R1.4 OCCCNCC1CCCC1 34a_100000737975_100000230001 [0,1,0,1,0,0|0,0,0]=2 21631 B11R1.4 OCCCNCC1CCOC1 2230a_100000737293_100000230001 [0,1,0,1,0,0|1,0,0]=3 21632 B11R1.4 OCCCNCC1CCOC1 34a_100000737293_100000230001 [0,1,0,1,0,0|1,0,0]=3 21633 B11R1.4 OCCCNCC1OCCO1 2230a_100000036311_100000230001 [0,1,0,1,0,0|2,0,0]=4 21634 B11R1.4 OCCCNCC1OCCO1 34a_100000036311_100000230001 [0,1,0,1,0,0|2,0,0]=4 21635 B11R1.4 OCCCNC[C@@H]1CCCO1 2230a_100020590478_100000230001 [0,1,0,1,0,0|1,0,0]=3 21636 B11R1.4 OCCCNC[C@@H]1CCCO1 34a_100020590478_100000230001 [0,1,0,1,0,0|1,0,0]=3 21637 B11R1.4 OCCCOCC1CC=CC1 34a_100000688395_100000230001 [0,1,0,1,0,0|0,0,2]=4 21638 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [0,1,0,1,0,0|0,0,0]=2 21639 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [0,1,0,1,0,0|0,0,0]=2 21640 B11R1.4 OCCCOCC1CCCO1 34a_100000210270_100000230001 [0,1,0,1,0,0|1,0,0]=3 21641 B11R1.4 OCCCOCC1CCCO1 7a_100000210270_100011215043 [0,1,0,1,0,0|1,0,0]=3 21642 B11R1.4 OCCCOCC1CCNC1 34a_100000748654_100000230001 [0,1,0,1,0,0|1,0,0]=3 21643 B11R1.4 OCCCOCC1CCOC1 34a_100000740260_100000230001 [0,1,0,1,0,0|1,0,0]=3 21644 B11R1.4 OCCCOCC1COCO1 34a_100011216627_100000230001 [0,1,0,1,0,0|2,0,0]=4 21645 B11R1.4 OCCCOCC1OCCO1 34a_100000087154_100000230001 [0,1,0,1,0,0|2,0,0]=4 21646 B11R1.4 OCCCOC[C@H]1CCCN1 34a_100000745186_100000230001 [0,1,0,1,0,0|1,0,0]=3 21647 B11R1.4 OCCCSCC1CCCC1 62a_100000740388_100011215043 [0,1,0,1,0,0|0,0,0]=2 21648 B11R1.4 OCCCSCC1CCCC1 62a_100011215043_100000740388 [0,1,0,1,0,0|0,0,0]=2 21649 B11R1.4 OCCCSCC1CCCO1 62a_100000203698_100011215043 [0,1,0,1,0,0|1,0,0]=3 21650 B11R1.4 OCCCSCC1CCCO1 62a_100011215043_100000203698 [0,1,0,1,0,0|1,0,0]=3 21651 B11R1.4 OCCCSCC1CCOC1 62a_100000702531_100011215043 [0,1,0,1,0,0|1,0,0]=3 21652 B11R1.4 OCCCSCC1CCOC1 62a_100011215043_100000702531 [0,1,0,1,0,0|1,0,0]=3 21653 B11R1.4 OCCCSCC1OCCO1 62a_100000755774_100011215043 [0,1,0,1,0,0|2,0,0]=4 21654 B11R1.4 OCCCSCC1OCCO1 62a_100011215043_100000755774 [0,1,0,1,0,0|2,0,0]=4 21655 B11R1.4 OCCNCCC1CCCC1 2230a_100000739158_100000211926 [0,1,0,1,0,0|0,0,0]=2 21656 B11R1.4 OCCNCCC1CCCC1 2230a_100016997473_100000760354 [0,1,0,1,0,0|0,0,0]=2 21657 B11R1.4 OCCNCCC1CCCC1 34a_100000739158_100000211926 [0,1,0,1,0,0|0,0,0]=2 21658 B11R1.4 OCCNCCC1CCCC1 34a_100016990907_100000760354 [0,1,0,1,0,0|0,0,0]=2 21659 B11R1.4 OCCNCCC1OCCO1 2230a_100000034215_100000211926 [0,1,0,1,0,0|2,0,0]=4 21660 B11R1.4 OCCNCCC1OCCO1 2230a_100016997473_100000740749 [0,1,0,1,0,0|2,0,0]=4 21661 B11R1.4 OCCNCCC1OCCO1 34a_100000034215_100000211926 [0,1,0,1,0,0|2,0,0]=4 21662 B11R1.4 OCCNCCC1OCCO1 34a_100016990907_100000740749 [0,1,0,1,0,0|2,0,0]=4 21663 B11R1.4 OCCNN=CC1CCCC1 4a_100000210001_100000746403 [0,1,0,1,0,0|1,0,1]=4 21664 B11R1.4 OCCOCCC1CCCC1 34a_100000749090_100000211926 [0,1,0,1,0,0|0,0,0]=2 21665 B11R1.4 OCCOCCC1CCCC1 7a_100000749090_100000211926 [0,1,0,1,0,0|0,0,0]=2 21666 B11R1.4 OCCOCCC1CCNC1 34a_100016987287_100000211926 [0,1,0,1,0,0|1,0,0]=3 21667 B11R1.4 OCCOCCC1CCOC1 34a_100011879284_100000211926 [0,1,0,1,0,0|1,0,0]=3 21668 B11R1.4 OCCOCCN1CCCC1 2230a_100000188435_100011215305 [0,1,0,1,0,0|1,0,0]=3 21669 B11R1.4 OCCOCCN1CCCC1 269982a_100000188435_100011215305 [0,1,0,1,0,0|1,0,0]=3 21670 B11R1.4 OCCOCCN1CCSC1 2230a_100011215254_100011215305 [0,1,0,1,0,0|2,0,0]=4 21671 B11R1.4 OCCOCCN1CCSC1 269982a_100011215254_100011215305 [0,1,0,1,0,0|2,0,0]=4 21672 B11R1.4 OCCSCCC1CCCC1 62a_100000211926_100000760354 [0,1,0,1,0,0|0,0,0]=2 21673 B11R1.4 OCCSCCC1CCCC1 62a_100000760354_100000211926 [0,1,0,1,0,0|0,0,0]=2 21674 B11R1.4 OCCSCCC1OCCO1 62a_100000211926_100000740749 [0,1,0,1,0,0|2,0,0]=4 21675 B11R1.4 OCCSCCN1CCCC1 62a_100000211926_100000004467 [0,1,0,1,0,0|1,0,0]=3 21676 B11R1.4 OCCSCCN1CCCC1 62a_100000700749_100000211926 [0,1,0,1,0,0|1,0,0]=3 21677 B11R1.4 [13CH3]NCCCOC1CCCC1 34a_100000747560_200025704644 [0,1,0,1,0,0|2,0,0]=4 21678 B11R1.4 [13CH3]SCCCCC1OCCO1 62a_200025704644_100000034956 [0,1,0,1,0,0|1,0,0]=3 21679 B11R1.16 CC(CCO)N1CCCOC1 2230a_100000131196_100009893172 [0,1,0,1,0,0|2,0,0]=4 21680 B11R1.16 CC(CCO)N1CCCOC1 269982a_100000131196_100009893172 [0,1,0,1,0,0|2,0,0]=4 21681 B11R1.16 CC(CCO)N1CCCOC1 34a_100000131196_100009893172 [0,1,0,1,0,0|2,0,0]=4 21682 B11R1.16 CC(CCO)N1CCOCC1 2230a_100015191051_100009893172 [0,1,0,1,0,0|2,0,0]=4 21683 B11R1.16 CC(CCO)N1CCOCC1 269982a_100015191051_100009893172 [0,1,0,1,0,0|2,0,0]=4 21684 B11R1.16 CC(CCO)N1CCOCC1 34a_100015191051_100009893172 [0,1,0,1,0,0|2,0,0]=4 21685 B11R1.16 CC(CCO)N1CCSCC1 2230a_100000737611_100009893172 [0,1,0,1,0,0|2,0,0]=4 21686 B11R1.16 CC(CCO)N1CCSCC1 269982a_100000737611_100009893172 [0,1,0,1,0,0|2,0,0]=4 21687 B11R1.16 CC(OCF)C1CCCCC1 34a_100011216961_100015361967 [0,1,0,1,0,0|2,0,0]=4 21688 B11R1.16 CC(OCF)C1CCCCC1 7a_100011216961_100015361967 [0,1,0,1,0,0|2,0,0]=4 21689 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,1,0,1,0,0|1,0,1]=4 21690 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,1,0,1,0,0|1,0,1]=4 21691 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [0,1,0,1,0,0|0,0,1]=3 21692 B11R1.16 CCCC(=O)C1COCCO1 1458a_100000045528_100000210303 [0,1,0,1,0,0|1,0,1]=4 21693 B11R1.16 CCCN(C)C1CCCCC1 2230a_100000207522_100000210303 [0,1,0,1,0,0|2,0,0]=4 21694 B11R1.16 CCCN(C)C1CCCCC1 2230a_100000750343_200000210301 [0,1,0,1,0,0|2,0,0]=4 21695 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000207522_100000210303 [0,1,0,1,0,0|2,0,0]=4 21696 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000747261_100000210327 [0,1,0,1,0,0|2,0,0]=4 21697 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000750343_200000210301 [0,1,0,1,0,0|2,0,0]=4 21698 B11R1.16 CCCN(C)C1CCCCC1 270004a_100000747261_100000210434 [0,1,0,1,0,0|2,0,0]=4 21699 B11R1.16 CCCN(C)C1CCCCC1 34a_100000207522_100000210303 [0,1,0,1,0,0|2,0,0]=4 21700 B11R1.16 CCCN(C)C1CCCCC1 34a_100000750343_200000210301 [0,1,0,1,0,0|2,0,0]=4 21701 B11R1.16 CCCN([13CH3])C1CCCCC1 2230a_100000750343_200025704644 [0,1,0,1,0,0|2,0,0]=4 21702 B11R1.16 CCCN([13CH3])C1CCCCC1 269982a_100000750343_200025704644 [0,1,0,1,0,0|2,0,0]=4 21703 B11R1.16 CCCN([13CH3])C1CCCCC1 34a_100000750343_200025704644 [0,1,0,1,0,0|2,0,0]=4 21704 B11R1.16 CCNC(=O)C1CCCCO1 11a_100015525214_100000748299 [0,1,0,1,0,0|1,0,1]=4 21705 B11R1.16 CCNC(=O)C1CCCCO1 240690a_100015525214_100000748299 [0,1,0,1,0,0|1,0,1]=4 21706 B11R1.16 CCNC(=O)C1CCCCO1 527a_100015525214_100000748299 [0,1,0,1,0,0|1,0,1]=4 21707 B11R1.16 CCNC(C)C1CCCCC1 269862a_100015525214_100000210989 [0,1,0,1,0,0|2,0,0]=4 21708 B11R1.16 CCNC(C)C1CCCCN1 269862a_100015525214_200011997754 [0,1,0,1,0,0|2,0,0]=4 21709 B11R1.16 CCN[C@H](C)C1CCCCC1 2230a_100025707633_100000210202 [0,1,0,1,0,0|2,0,0]=4 21710 B11R1.16 CCN[C@H](C)C1CCCCC1 34a_100025707633_100000210202 [0,1,0,1,0,0|2,0,0]=4 21711 B11R1.16 CCOC(C)C1CCCCC1 34a_100011216961_100000210202 [0,1,0,1,0,0|2,0,0]=4 21712 B11R1.16 CCOC(C)C1CCCCC1 7a_100011216961_100000210202 [0,1,0,1,0,0|2,0,0]=4 21713 B11R1.16 CN(CCF)C1CCCCC1 2230a_100000207522_100011217306 [0,1,0,1,0,0|2,0,0]=4 21714 B11R1.16 CN(CCF)C1CCCCC1 269982a_100000207522_100011217306 [0,1,0,1,0,0|2,0,0]=4 21715 B11R1.16 CN(CCF)C1CCCCC1 34a_100000207522_100011217306 [0,1,0,1,0,0|2,0,0]=4 21716 B11R1.16 CN(CCO)C1CCCCC1 2230a_100000200466_200000210301 [0,1,0,1,0,0|1,0,0]=3 21717 B11R1.16 CN(CCO)C1CCCCC1 2230a_100000207522_100000211926 [0,1,0,1,0,0|1,0,0]=3 21718 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000200466_200000210301 [0,1,0,1,0,0|1,0,0]=3 21719 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000207522_100000211926 [0,1,0,1,0,0|1,0,0]=3 21720 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000210263_100000210327 [0,1,0,1,0,0|1,0,0]=3 21721 B11R1.16 CN(CCO)C1CCCCC1 270004a_100000210263_100000210434 [0,1,0,1,0,0|1,0,0]=3 21722 B11R1.16 CN(CCO)C1CCCCC1 34a_100000200466_200000210301 [0,1,0,1,0,0|1,0,0]=3 21723 B11R1.16 CN(CCO)C1CCCCC1 34a_100000207522_100000211926 [0,1,0,1,0,0|1,0,0]=3 21724 B11R1.16 CN(CCO)C1CCCOC1 269982a_100000210263_100000693364 [0,1,0,1,0,0|2,0,0]=4 21725 B11R1.16 CN(CCO)C1CCCOC1 270004a_100000210263_100000753404 [0,1,0,1,0,0|2,0,0]=4 21726 B11R1.16 CN(CCO)C1CCCSC1 270004a_100000210263_100000057913 [0,1,0,1,0,0|2,0,0]=4 21727 B11R1.16 CN(CCO)C1CCNCC1 270004a_100000210263_100015192401 [0,1,0,1,0,0|2,0,0]=4 21728 B11R1.16 CN(CCO)C1CCOCC1 2230a_100000708129_200000210301 [0,1,0,1,0,0|2,0,0]=4 21729 B11R1.16 CN(CCO)C1CCOCC1 2230a_100020587155_100000211926 [0,1,0,1,0,0|2,0,0]=4 21730 B11R1.16 CN(CCO)C1CCOCC1 269982a_100000210263_100011324220 [0,1,0,1,0,0|2,0,0]=4 21731 B11R1.16 CN(CCO)C1CCOCC1 269982a_100020587155_100000211926 [0,1,0,1,0,0|2,0,0]=4 21732 B11R1.16 CN(CCO)C1CCOCC1 270004a_100000210263_100011217826 [0,1,0,1,0,0|2,0,0]=4 21733 B11R1.16 CN(CCO)C1CCOCC1 34a_100000708129_200000210301 [0,1,0,1,0,0|2,0,0]=4 21734 B11R1.16 CN(CCO)C1CCOCC1 34a_100020587155_100000211926 [0,1,0,1,0,0|2,0,0]=4 21735 B11R1.16 CN(CCO)C1CCSCC1 2230a_100015184757_100000211926 [0,1,0,1,0,0|2,0,0]=4 21736 B11R1.16 CN(CCO)C1CCSCC1 269982a_100000210263_100000069128 [0,1,0,1,0,0|2,0,0]=4 21737 B11R1.16 CN(CCO)C1CCSCC1 269982a_100015184757_100000211926 [0,1,0,1,0,0|2,0,0]=4 21738 B11R1.16 CN(CCO)C1CCSCC1 270004a_100000210263_100000203788 [0,1,0,1,0,0|2,0,0]=4 21739 B11R1.16 CN(CCO)C1CCSCC1 34a_100015184757_100000211926 [0,1,0,1,0,0|2,0,0]=4 21740 B11R1.16 COC[C@H](N)C1CCCCC1 34a_100009817630_200000210301 [0,1,0,1,0,0|2,0,0]=4 21741 B11R1.16 C[C@@H](NCF)C1CCCCC1 34a_100025707633_100015361967 [0,1,0,1,0,0|2,0,0]=4 21742 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [0,1,0,1,0,0|1,0,1]=4 21743 B11R1.16 O=C(CCF)C1CCCCO1 1458a_100000748299_100011217306 [0,1,0,1,0,0|1,0,1]=4 21744 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [0,1,0,1,0,0|0,0,1]=3 21745 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [0,1,0,1,0,0|0,0,1]=3 21746 B11R1.16 O=C(CCO)C1CCCCO1 1458a_100000748299_100000211926 [0,1,0,1,0,0|1,0,1]=4 21747 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100000741522_100000211926 [0,1,0,1,0,0|1,0,1]=4 21748 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100011216618_100000693364 [0,1,0,1,0,0|1,0,1]=4 21749 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100000195482_100000211926 [0,1,0,1,0,0|1,0,1]=4 21750 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100011216618_100011324220 [0,1,0,1,0,0|1,0,1]=4 21751 B11R1.16 O=C(CCO)C1CCSCC1 1458a_100000755232_100000211926 [0,1,0,1,0,0|1,0,1]=4 21752 B11R1.16 [13CH3]N(CCO)C1CCCCC1 2230a_100000200466_200025704644 [0,1,0,1,0,0|1,0,0]=3 21753 B11R1.16 [13CH3]N(CCO)C1CCCCC1 269982a_100000200466_200025704644 [0,1,0,1,0,0|1,0,0]=3 21754 B11R1.16 [13CH3]N(CCO)C1CCCCC1 34a_100000200466_200025704644 [0,1,0,1,0,0|1,0,0]=3 21755 B11R1.16 [13CH3]N(CCO)C1CCOCC1 2230a_100000708129_200025704644 [0,1,0,1,0,0|2,0,0]=4 21756 B11R1.16 [13CH3]N(CCO)C1CCOCC1 34a_100000708129_200025704644 [0,1,0,1,0,0|2,0,0]=4 21757 B11R1.16 [13CH3]OC[C@H](N)C1CCCCC1 34a_100009817630_200025704644 [0,1,0,1,0,0|2,0,0]=4 21758 B11R1.24 CC1=CC(CCC1)OCCO 34a_100011218613_100000211926 [0,1,0,1,0,0|1,0,1]=4 21759 B11R1.24 CC1CC(CCO1)NCCO 270004a_100000210304_100000755752 [0,1,0,1,0,0|2,0,0]=4 21760 B11R1.24 CC1CC(CCO1)OCCO 34a_100011986385_100000211926 [0,1,0,1,0,0|2,0,0]=4 21761 B11R1.24 CC1CC(CCO1)OCCO 7a_100011986385_100000211926 [0,1,0,1,0,0|2,0,0]=4 21762 B11R1.24 CC1CCCC(C1)NCCF 2230a_100011194320_100011217306 [0,1,0,1,0,0|2,0,0]=4 21763 B11R1.24 CC1CCCC(C1)NCCF 34a_100011194320_100011217306 [0,1,0,1,0,0|2,0,0]=4 21764 B11R1.24 CC1CCCC(C1)NCCO 2230a_100011194320_100000211926 [0,1,0,1,0,0|1,0,0]=3 21765 B11R1.24 CC1CCCC(C1)NCCO 270004a_100000210304_100000183594 [0,1,0,1,0,0|1,0,0]=3 21766 B11R1.24 CC1CCCC(C1)NCCO 34a_100011194320_100000211926 [0,1,0,1,0,0|1,0,0]=3 21767 B11R1.24 CC1CCCC(C1)OCCF 34a_100000211399_100011217306 [0,1,0,1,0,0|2,0,0]=4 21768 B11R1.24 CC1CCCC(C1)OCCO 34a_100000211399_100000211926 [0,1,0,1,0,0|1,0,0]=3 21769 B11R1.24 CC1CN(CCO1)CCCO 2230a_100000729577_100000230001 [0,1,0,1,0,0|2,0,0]=4 21770 B11R1.24 CC1CN(CCO1)CCCO 269982a_100000729577_100011215043 [0,1,0,1,0,0|2,0,0]=4 21771 B11R1.24 CC1CN(CCO1)CCCO 34a_100000729577_100000230001 [0,1,0,1,0,0|2,0,0]=4 21772 B11R1.24 CCCCN1CCCC(C1)F 2230a_100000697950_100000210211 [0,1,0,1,0,0|2,0,0]=4 21773 B11R1.24 CCCCN1CCCC(C1)F 269982a_100000697950_100000210211 [0,1,0,1,0,0|2,0,0]=4 21774 B11R1.24 CCCCN1CCCC(C1)F 34a_100000697950_100000210210 [0,1,0,1,0,0|2,0,0]=4 21775 B11R1.24 CCCCN1CCCC(C1)O 2230a_100000211013_100000210211 [0,1,0,1,0,0|1,0,0]=3 21776 B11R1.24 CCCCN1CCCC(C1)O 269982a_100000211013_100000210211 [0,1,0,1,0,0|1,0,0]=3 21777 B11R1.24 CCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210211 [0,1,0,1,0,0|2,0,0]=4 21778 B11R1.24 CCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210211 [0,1,0,1,0,0|2,0,0]=4 21779 B11R1.24 CCCCN1CCC[C@@H](C1)C 34a_100000717927_100000210210 [0,1,0,1,0,0|2,0,0]=4 21780 B11R1.24 CCCCN1CCOC(C1)O 2230a_100000688207_100000210211 [0,1,0,1,0,0|2,0,0]=4 21781 B11R1.24 CCCCN1CCOC(C1)O 269982a_100000688207_100000210211 [0,1,0,1,0,0|2,0,0]=4 21782 B11R1.24 CCCNC1CCCC(C1)C 2230a_100011194320_100000210303 [0,1,0,1,0,0|2,0,0]=4 21783 B11R1.24 CCCNC1CCCC(C1)C 270004a_100020643023_100000183594 [0,1,0,1,0,0|2,0,0]=4 21784 B11R1.24 CCCNC1CCCC(C1)C 34a_100011194320_100000210303 [0,1,0,1,0,0|2,0,0]=4 21785 B11R1.24 CCCNC1CCCC(C1)O 2230a_100015190357_100000210303 [0,1,0,1,0,0|1,0,0]=3 21786 B11R1.24 CCCNC1CCCC(C1)O 270004a_100020643023_100012613340 [0,1,0,1,0,0|1,0,0]=3 21787 B11R1.24 CCCOC1CCCC(C1)C 34a_100000211399_100000210303 [0,1,0,1,0,0|2,0,0]=4 21788 B11R1.24 CCNCC1CCCC(C1)O 2230a_100011254705_100000210202 [0,1,0,1,0,0|1,0,0]=3 21789 B11R1.24 CCOCN1CCCC(C1)O 269982a_100000211013_100000739092 [0,1,0,1,0,0|2,0,0]=4 21790 B11R1.24 CN1CCCC(C1)CCCO 2230a_100150707839_200000210301 [0,1,0,1,0,0|1,0,0]=3 21791 B11R1.24 CN1CCCC(C1)CCCO 269982a_100150707839_200000210301 [0,1,0,1,0,0|1,0,0]=3 21792 B11R1.24 CN1CCCC(C1)CCCO 34a_100150707839_200000210301 [0,1,0,1,0,0|1,0,0]=3 21793 B11R1.24 COCCN1CCCC(C1)O 2230a_100000211013_100011201679 [0,1,0,1,0,0|2,0,0]=4 21794 B11R1.24 COCCN1CCCC(C1)O 269982a_100000211013_100000233755 [0,1,0,1,0,0|2,0,0]=4 21795 B11R1.24 COCNC1CCCC(C1)O 2230a_100015190357_100000766300 [0,1,0,1,0,0|2,0,0]=4 21796 B11R1.24 CSCCN1CCCC(C1)O 2230a_100000211013_100000751147 [0,1,0,1,0,0|2,0,0]=4 21797 B11R1.24 CSCCN1CCCC(C1)O 269982a_100000211013_100000212216 [0,1,0,1,0,0|2,0,0]=4 21798 B11R1.24 CSCNC1CCCC(C1)O 2230a_100015190357_100011218213 [0,1,0,1,0,0|2,0,0]=4 21799 B11R1.24 C[C@@H]1CC(CCN1)NCCO 270004a_100000210304_100016994030 [0,1,0,1,0,0|2,0,0]=4 21800 B11R1.24 C[C@H]1CCCN(C1)CCCF 2230a_100000717927_100011934791 [0,1,0,1,0,0|2,0,0]=4 21801 B11R1.24 C[C@H]1CCCN(C1)CCCF 269982a_100000717927_100011934791 [0,1,0,1,0,0|2,0,0]=4 21802 B11R1.24 C[C@H]1CCCN(C1)CCCF 34a_100000717927_100011934791 [0,1,0,1,0,0|2,0,0]=4 21803 B11R1.24 C[C@H]1CCCN(C1)CCCO 2230a_100000717927_100000230001 [0,1,0,1,0,0|1,0,0]=3 21804 B11R1.24 C[C@H]1CCCN(C1)CCCO 269982a_100000717927_100011215043 [0,1,0,1,0,0|1,0,0]=3 21805 B11R1.24 C[C@H]1CCCN(C1)CCCO 34a_100000717927_100000230001 [0,1,0,1,0,0|1,0,0]=3 21806 B11R1.24 FCCCN1CCCC(C1)F 2230a_100000697950_100011934791 [0,1,0,1,0,0|2,0,0]=4 21807 B11R1.24 FCCCN1CCCC(C1)F 269982a_100000697950_100011934791 [0,1,0,1,0,0|2,0,0]=4 21808 B11R1.24 FCCCN1CCCC(C1)F 34a_100000697950_100011934791 [0,1,0,1,0,0|2,0,0]=4 21809 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,1,0,1,0,0|1,0,1]=4 21810 B11R1.24 OC1CCCC(C1)NCCF 2230a_100015190357_100011217306 [0,1,0,1,0,0|2,0,0]=4 21811 B11R1.24 OC1CCCN(C1)CCCF 2230a_100000211013_100011934791 [0,1,0,1,0,0|2,0,0]=4 21812 B11R1.24 OC1CCCN(C1)CCCF 269982a_100000211013_100011934791 [0,1,0,1,0,0|2,0,0]=4 21813 B11R1.24 OCCCN1CCCC(C1)F 2230a_100000697950_100000230001 [0,1,0,1,0,0|1,0,0]=3 21814 B11R1.24 OCCCN1CCCC(C1)F 269982a_100000697950_100011215043 [0,1,0,1,0,0|1,0,0]=3 21815 B11R1.24 OCCCN1CCCC(C1)F 34a_100000697950_100000230001 [0,1,0,1,0,0|1,0,0]=3 21816 B11R1.24 OCCCN1CCCC(C1)O 2230a_100000211013_100000230001 [0,1,0,1,0,0|1,0,0]=3 21817 B11R1.24 OCCCN1CCCC(C1)O 269982a_100000211013_100011215043 [0,1,0,1,0,0|1,0,0]=3 21818 B11R1.24 OCCCN1CCOC(C1)O 2230a_100000688207_100000230001 [0,1,0,1,0,0|2,0,0]=4 21819 B11R1.24 OCCCN1CCOC(C1)O 269982a_100000688207_100011215043 [0,1,0,1,0,0|2,0,0]=4 21820 B11R1.24 OCCNC1CCCC(C1)O 2230a_100015190357_100000211926 [0,1,0,1,0,0|1,0,0]=3 21821 B11R1.24 OCCNC1CCCC(C1)O 270004a_100000210304_100012613340 [0,1,0,1,0,0|1,0,0]=3 21822 B11R1.24 [13CH3]N1CCCC(C1)CCCO 2230a_100150707839_200025704644 [0,1,0,1,0,0|1,0,0]=3 21823 B11R1.24 [13CH3]N1CCCC(C1)CCCO 269982a_100150707839_200025704644 [0,1,0,1,0,0|1,0,0]=3 21824 B11R1.24 [13CH3]N1CCCC(C1)CCCO 34a_100150707839_200025704644 [0,1,0,1,0,0|1,0,0]=3 21825 B11R1.30 CC(CCBr)OC1CCCC1 34a_100012276601_100000179811 [0,1,0,1,0,0|2,0,0]=4 21826 B11R1.30 CC(CCO)NC1CCCC1 2230a_100000211070_100009893172 [0,1,0,1,0,0|1,0,0]=3 21827 B11R1.30 CC(CCO)NC1CCCC1 34a_100000211070_100009893172 [0,1,0,1,0,0|1,0,0]=3 21828 B11R1.30 CC(CCO)N[C@@H]1CCOC1 2230a_200015188469_100009893172 [0,1,0,1,0,0|2,0,0]=4 21829 B11R1.30 CC(CCO)N[C@H]1CCOC1 2230a_100015188467_100009893172 [0,1,0,1,0,0|2,0,0]=4 21830 B11R1.30 CC(CCO)N[C@H]1CCOC1 34a_100015188467_100009893172 [0,1,0,1,0,0|2,0,0]=4 21831 B11R1.30 CC(CCO)OC1CCCC1 34a_100000210269_100009893172 [0,1,0,1,0,0|1,0,0]=3 21832 B11R1.30 CC(CCO)OC1CCCC1 7a_100000210269_100009893172 [0,1,0,1,0,0|1,0,0]=3 21833 B11R1.30 CC(CCO)OC1CCCO1 34a_100000085407_100009893172 [0,1,0,1,0,0|2,0,0]=4 21834 B11R1.30 CC(CCO)OC1CCSC1 7a_100011232664_100009893172 [0,1,0,1,0,0|2,0,0]=4 21835 B11R1.30 CC(CCO)O[C@H]1CCOC1 34a_100000717292_100009893172 [0,1,0,1,0,0|2,0,0]=4 21836 B11R1.30 CC(CCO)SC1CCCC1 62a_100009893172_100000179811 [0,1,0,1,0,0|1,0,0]=3 21837 B11R1.30 CC(CCO)SC1CCCC1 62a_100011217020_100009893172 [0,1,0,1,0,0|1,0,0]=3 21838 B11R1.30 CC(CCO)SC1CCOC1 62a_100009893172_100000690089 [0,1,0,1,0,0|2,0,0]=4 21839 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,1,0,1,0,0|1,0,1]=4 21840 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,1,0,1,0,0|1,0,1]=4 21841 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,1,0,1,0,0|0,0,1]=3 21842 B11R1.30 CCCC(=O)CC1OCCO1 1458a_100000211992_100000755774 [0,1,0,1,0,0|1,0,1]=4 21843 B11R1.30 CCCC(C)CN1CCCC1 2230a_100000188435_100011216630 [0,1,0,1,0,0|2,0,0]=4 21844 B11R1.30 CCCC(C)CN1CCCC1 269982a_100000188435_100011216630 [0,1,0,1,0,0|2,0,0]=4 21845 B11R1.30 CCCC(C)CN1CCCC1 270004a_100000188435_100000243154 [0,1,0,1,0,0|2,0,0]=4 21846 B11R1.30 CCCC(C)NC1CCCC1 2230a_100000211070_100000766640 [0,1,0,1,0,0|2,0,0]=4 21847 B11R1.30 CCCC(C)NC1CCCC1 2230a_100000741246_100000179811 [0,1,0,1,0,0|2,0,0]=4 21848 B11R1.30 CCCC(C)NC1CCCC1 270004a_100000211070_100000211909 [0,1,0,1,0,0|2,0,0]=4 21849 B11R1.30 CCCC(C)NC1CCCC1 270004a_100000741246_100000210133 [0,1,0,1,0,0|2,0,0]=4 21850 B11R1.30 CCCC(C)NC1CCCC1 34a_100000211070_100000766640 [0,1,0,1,0,0|2,0,0]=4 21851 B11R1.30 CCCC(C)OC1CCCC1 34a_100000210269_100000766640 [0,1,0,1,0,0|2,0,0]=4 21852 B11R1.30 CCCC(C)OC1CCCC1 34a_100000764384_100000179811 [0,1,0,1,0,0|2,0,0]=4 21853 B11R1.30 CCCC(C)OC1CCCC1 7a_100000210269_100000766640 [0,1,0,1,0,0|2,0,0]=4 21854 B11R1.30 CCCC(C)OC1CCCC1 7a_100000764384_100000179811 [0,1,0,1,0,0|2,0,0]=4 21855 B11R1.30 CCCC(C)OC1CCCO1 34a_100000085407_100000766640 [0,1,0,1,0,0|1,0,0]=3 21856 B11R1.30 CCCC(C)SC1CCCC1 62a_100000766640_100000179811 [0,1,0,1,0,0|2,0,0]=4 21857 B11R1.30 CCCC(C)SC1CCCC1 62a_100011217020_100000766640 [0,1,0,1,0,0|2,0,0]=4 21858 B11R1.30 CCCN(C)CC1CCCC1 2230a_100000747261_100000740388 [0,1,0,1,0,0|2,0,0]=4 21859 B11R1.30 CCCN(C)CC1CCCC1 269982a_100000747261_100000740388 [0,1,0,1,0,0|2,0,0]=4 21860 B11R1.30 CCCN(C)CC1CCCO1 2230a_100000226859_200000210301 [0,1,0,1,0,0|1,0,0]=3 21861 B11R1.30 CCCN(C)CC1CCCO1 2230a_100000747261_100000203698 [0,1,0,1,0,0|1,0,0]=3 21862 B11R1.30 CCCN(C)CC1CCCO1 2230a_100102946541_100000210303 [0,1,0,1,0,0|1,0,0]=3 21863 B11R1.30 CCCN(C)CC1CCCO1 269982a_100000226859_200000210301 [0,1,0,1,0,0|1,0,0]=3 21864 B11R1.30 CCCN(C)CC1CCCO1 269982a_100000747261_100000183445 [0,1,0,1,0,0|1,0,0]=3 21865 B11R1.30 CCCN(C)CC1CCCO1 269982a_100102946541_100000210303 [0,1,0,1,0,0|1,0,0]=3 21866 B11R1.30 CCCN(C)CC1CCCO1 34a_100000226859_200000210301 [0,1,0,1,0,0|1,0,0]=3 21867 B11R1.30 CCCN(C)CC1CCCO1 34a_100102946541_100000210303 [0,1,0,1,0,0|1,0,0]=3 21868 B11R1.30 CCCN(C)CC1OCCO1 2230a_100000747261_100000755774 [0,1,0,1,0,0|2,0,0]=4 21869 B11R1.30 CCCN(C)CC1OCCO1 2230a_200000032744_100000210303 [0,1,0,1,0,0|2,0,0]=4 21870 B11R1.30 CCCN(C)CC1OCCO1 269982a_100000747261_100000755774 [0,1,0,1,0,0|2,0,0]=4 21871 B11R1.30 CCCN(C)CC1OCCO1 269982a_200000032744_100000210303 [0,1,0,1,0,0|2,0,0]=4 21872 B11R1.30 CCCN(C)CC1OCCO1 34a_200000032744_100000210303 [0,1,0,1,0,0|2,0,0]=4 21873 B11R1.30 CCCN([13CH3])CC1CCCO1 2230a_100000226859_200025704644 [0,1,0,1,0,0|1,0,0]=3 21874 B11R1.30 CCCN([13CH3])CC1CCCO1 269982a_100000226859_200025704644 [0,1,0,1,0,0|1,0,0]=3 21875 B11R1.30 CCCN([13CH3])CC1CCCO1 34a_100000226859_200025704644 [0,1,0,1,0,0|1,0,0]=3 21876 B11R1.30 CCNC(C)CC1CCCC1 270004a_100015525214_100000692464 [0,1,0,1,0,0|2,0,0]=4 21877 B11R1.30 CN(CCF)CC1CCCO1 2230a_100102946541_100011217306 [0,1,0,1,0,0|2,0,0]=4 21878 B11R1.30 CN(CCF)CC1CCCO1 269982a_100102946541_100011217306 [0,1,0,1,0,0|2,0,0]=4 21879 B11R1.30 CN(CCF)CC1CCCO1 34a_100102946541_100011217306 [0,1,0,1,0,0|2,0,0]=4 21880 B11R1.30 CN(CCO)CC1CCCC1 2230a_100000210263_100000740388 [0,1,0,1,0,0|1,0,0]=3 21881 B11R1.30 CN(CCO)CC1CCCC1 269982a_100000210263_100000740388 [0,1,0,1,0,0|1,0,0]=3 21882 B11R1.30 CN(CCO)CC1CCCO1 2230a_100000210263_100000203698 [0,1,0,1,0,0|2,0,0]=4 21883 B11R1.30 CN(CCO)CC1CCCO1 2230a_100102946541_100000211926 [0,1,0,1,0,0|2,0,0]=4 21884 B11R1.30 CN(CCO)CC1CCCO1 269982a_100000210263_100000183445 [0,1,0,1,0,0|2,0,0]=4 21885 B11R1.30 CN(CCO)CC1CCCO1 269982a_100102946541_100000211926 [0,1,0,1,0,0|2,0,0]=4 21886 B11R1.30 CN(CCO)CC1CCCO1 34a_100102946541_100000211926 [0,1,0,1,0,0|2,0,0]=4 21887 B11R1.30 CN(CCO)CC1CCOC1 2230a_100000210263_100000702531 [0,1,0,1,0,0|2,0,0]=4 21888 B11R1.30 CN(CCO)CC1CCOC1 2230a_100000684583_100000211926 [0,1,0,1,0,0|2,0,0]=4 21889 B11R1.30 CN(CCO)CC1CCOC1 269982a_100000210263_100000702531 [0,1,0,1,0,0|2,0,0]=4 21890 B11R1.30 CN(CCO)CC1CCOC1 269982a_100000684583_100000211926 [0,1,0,1,0,0|2,0,0]=4 21891 B11R1.30 CN(CCO)CC1CCOC1 34a_100000684583_100000211926 [0,1,0,1,0,0|2,0,0]=4 21892 B11R1.30 COCC(=O)CC1CCCO1 1458a_100000210968_100000203698 [0,1,0,1,0,0|1,0,1]=4 21893 B11R1.30 COCC(C)OC1CCCO1 34a_100000085407_100000765312 [0,1,0,1,0,0|2,0,0]=4 21894 B11R1.30 COCN(C)CC1CCCO1 2230a_100102946541_100000766300 [0,1,0,1,0,0|2,0,0]=4 21895 B11R1.30 COCN(C)CC1CCCO1 269982a_100102946541_100000766300 [0,1,0,1,0,0|2,0,0]=4 21896 B11R1.30 CSCC(=O)CC1CCCO1 1458a_100000184570_100000203698 [0,1,0,1,0,0|1,0,1]=4 21897 B11R1.30 CSCN(C)CC1CCCO1 2230a_100102946541_100011218213 [0,1,0,1,0,0|2,0,0]=4 21898 B11R1.30 CSCN(C)CC1CCCO1 269982a_100102946541_100011218213 [0,1,0,1,0,0|2,0,0]=4 21899 B11R1.30 CSCN(C)CC1CCCO1 34a_100102946541_100011218213 [0,1,0,1,0,0|2,0,0]=4 21900 B11R1.30 C[C@H](CCO)NC1CCCC1 2230a_100000706166_100000179811 [0,1,0,1,0,0|1,0,0]=3 21901 B11R1.30 C[C@H](CCO)NC1CCCC1 270004a_100000706166_100000210133 [0,1,0,1,0,0|1,0,0]=3 21902 B11R1.30 C[C@H](CCO)NC1CCCC1 34a_100000706166_100000179811 [0,1,0,1,0,0|1,0,0]=3 21903 B11R1.30 C[C@H](CCO)NC1CCOC1 2230a_100000706166_100000731011 [0,1,0,1,0,0|2,0,0]=4 21904 B11R1.30 C[C@H](CCO)NC1CCOC1 270004a_100000706166_100000752484 [0,1,0,1,0,0|2,0,0]=4 21905 B11R1.30 C[C@H](CCO)NC1CCOC1 34a_100000706166_100000690089 [0,1,0,1,0,0|2,0,0]=4 21906 B11R1.30 C[C@H](CCO)NC1CCSC1 270004a_100000706166_100000212027 [0,1,0,1,0,0|2,0,0]=4 21907 B11R1.30 O=C(CCF)CC1CCCC1 1458a_100000210891_100011217306 [0,1,0,1,0,0|1,0,1]=4 21908 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [0,1,0,1,0,0|0,0,1]=3 21909 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [0,1,0,1,0,0|0,0,1]=3 21910 B11R1.30 O=C(CCO)CC1CCCO1 1458a_100011216618_100000203698 [0,1,0,1,0,0|1,0,1]=4 21911 B11R1.30 O=C(CCO)CC1CCOC1 1458a_100011216618_100000702531 [0,1,0,1,0,0|1,0,1]=4 21912 B11R1.30 O=C(CCO)CC1CCOC1 1458a_100011218419_100000211926 [0,1,0,1,0,0|1,0,1]=4 21913 B11R1.30 O=C(CCO)CN1CCCC1 1458a_100000740243_100000211926 [0,1,0,1,0,0|1,0,1]=4 21914 B11R1.30 O=C(CCO)NC1CCCC1 240690a_100000211070_100011216618 [0,1,0,1,0,0|1,0,1]=4 21915 B11R1.78 C=C1CC(C1)CNCCCO 2230a_100102567296_100000230001 [0,1,0,1,0,0|1,0,1]=4 21916 B11R1.78 C=C1CC(C1)CNCCCO 34a_100102567296_100000230001 [0,1,0,1,0,0|1,0,1]=4 21917 B11R1.78 C=C1CC(C1)COCCCO 34a_100011011225_100000230001 [0,1,0,1,0,0|1,0,1]=4 21918 B11R1.78 C=C1CC(C1)NCCCCO 2230a_100132301982_100000210776 [0,1,0,1,0,0|1,0,1]=4 21919 B11R1.78 CC1CN(C1)CCCCCF 2230a_100000702820_100000729378 [0,1,0,1,0,0|2,0,0]=4 21920 B11R1.78 CC1CN(C1)CCCCCF 269982a_100000702820_100000729378 [0,1,0,1,0,0|2,0,0]=4 21921 B11R1.78 CC1CN(C1)CCCCCF 34a_100000702820_100000729378 [0,1,0,1,0,0|2,0,0]=4 21922 B11R1.78 CC1CN(C1)CCCCCO 2230a_100000702820_100000746330 [0,1,0,1,0,0|1,0,0]=3 21923 B11R1.78 CC1CN(C1)CCCCCO 269982a_100000702820_100000746330 [0,1,0,1,0,0|1,0,0]=3 21924 B11R1.78 CC1CN(C1)CCCCCO 34a_100000702820_100000746330 [0,1,0,1,0,0|1,0,0]=3 21925 B11R1.78 CC1CN(C1)CCOCCO 2230a_100000702820_100011215305 [0,1,0,1,0,0|2,0,0]=4 21926 B11R1.78 CC1CN(C1)CCOCCO 269982a_100000702820_100011215305 [0,1,0,1,0,0|2,0,0]=4 21927 B11R1.78 CC1CN(C1)CCOCCO 34a_100000702820_100000692535 [0,1,0,1,0,0|2,0,0]=4 21928 B11R1.78 CCCCCCN1CC(C1)C 2230a_100000702820_100000210314 [0,1,0,1,0,0|2,0,0]=4 21929 B11R1.78 CCCCCCN1CC(C1)C 269982a_100000702820_100000210757 [0,1,0,1,0,0|2,0,0]=4 21930 B11R1.78 CCCCCCN1CC(C1)C 34a_100000702820_100000210314 [0,1,0,1,0,0|2,0,0]=4 21931 B11R1.78 CCCCCCN1CC(C1)F 2230a_100000690557_100000210314 [0,1,0,1,0,0|2,0,0]=4 21932 B11R1.78 CCCCCCN1CC(C1)F 269982a_100000690557_100000210757 [0,1,0,1,0,0|2,0,0]=4 21933 B11R1.78 CCCCCCN1CC(C1)F 34a_100000690557_100000210314 [0,1,0,1,0,0|2,0,0]=4 21934 B11R1.78 CCCCCCN1CC(C1)O 269982a_100000749847_100000210757 [0,1,0,1,0,0|1,0,0]=3 21935 B11R1.78 CCCCCNC1CC(C1)F 2230a_100016993743_100000210326 [0,1,0,1,0,0|2,0,0]=4 21936 B11R1.78 CCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210326 [0,1,0,1,0,0|1,0,0]=3 21937 B11R1.78 CCCCNCC1CC(C1)O 2230a_100016992100_100000210211 [0,1,0,1,0,0|1,0,0]=3 21938 B11R1.78 CCCCOCC1CC(C1)Cl 34a_100009874164_100000210210 [0,1,0,1,0,0|2,0,0]=4 21939 B11R1.78 CCCCOCN1CC(C1)O 269982a_100000749847_100011995733 [0,1,0,1,0,0|2,0,0]=4 21940 B11R1.78 CCCOCCN1CC(C1)O 269982a_100000749847_100011215938 [0,1,0,1,0,0|2,0,0]=4 21941 B11R1.78 CCOCCCN1CC(C1)O 269982a_100000749847_100012232248 [0,1,0,1,0,0|2,0,0]=4 21942 B11R1.78 CCOCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215890 [0,1,0,1,0,0|2,0,0]=4 21943 B11R1.78 CCSCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000757381 [0,1,0,1,0,0|2,0,0]=4 21944 B11R1.78 COCCCCN1CC(C1)O 269982a_100000749847_100000730899 [0,1,0,1,0,0|2,0,0]=4 21945 B11R1.78 COCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000740836 [0,1,0,1,0,0|2,0,0]=4 21946 B11R1.78 COCCNCC1CC(C1)O 2230a_100016992100_100011201679 [0,1,0,1,0,0|2,0,0]=4 21947 B11R1.78 CSCCNCC1CC(C1)O 2230a_100016992100_100000751147 [0,1,0,1,0,0|2,0,0]=4 21948 B11R1.78 FCCCCCN1CC(C1)F 2230a_100000690557_100000729378 [0,1,0,1,0,0|2,0,0]=4 21949 B11R1.78 FCCCCCN1CC(C1)F 269982a_100000690557_100000729378 [0,1,0,1,0,0|2,0,0]=4 21950 B11R1.78 FCCCCCN1CC(C1)F 34a_100000690557_100000729378 [0,1,0,1,0,0|2,0,0]=4 21951 B11R1.78 FCCCCNC1CC(C1)F 2230a_100016993743_100000729493 [0,1,0,1,0,0|2,0,0]=4 21952 B11R1.78 FCCCOCC1CC(C1)Cl 34a_100009874164_100011934791 [0,1,0,1,0,0|2,0,0]=4 21953 B11R1.78 O=C1CC(C1)COCCCO 34a_100000101936_100000230001 [0,1,0,1,0,0|1,0,1]=4 21954 B11R1.78 O=C1CC(C1)CSCCCO 62a_100009874392_100011215043 [0,1,0,1,0,0|1,0,1]=4 21955 B11R1.78 O=C1CC(C1)CSCCCO 62a_100011215043_100009874392 [0,1,0,1,0,0|1,0,1]=4 21956 B11R1.78 O=C1CC(C1)SCCCCO 62a_100009894365_100000210776 [0,1,0,1,0,0|1,0,1]=4 21957 B11R1.78 OC1CC(C1)CNCCCF 2230a_100016992100_100011934791 [0,1,0,1,0,0|2,0,0]=4 21958 B11R1.78 OC1CN(C1)CCCCCF 269982a_100000749847_100000729378 [0,1,0,1,0,0|2,0,0]=4 21959 B11R1.78 OCCCCCN1CC(C1)F 2230a_100000690557_100000746330 [0,1,0,1,0,0|1,0,0]=3 21960 B11R1.78 OCCCCCN1CC(C1)F 269982a_100000690557_100000746330 [0,1,0,1,0,0|1,0,0]=3 21961 B11R1.78 OCCCCCN1CC(C1)F 34a_100000690557_100000746330 [0,1,0,1,0,0|1,0,0]=3 21962 B11R1.78 OCCCCCN1CC(C1)O 269982a_100000749847_100000746330 [0,1,0,1,0,0|1,0,0]=3 21963 B11R1.78 OCCCCNC1CC(C1)F 2230a_100016993743_100000210776 [0,1,0,1,0,0|1,0,0]=3 21964 B11R1.78 OCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210776 [0,1,0,1,0,0|1,0,0]=3 21965 B11R1.78 OCCCNCC1CC(C1)O 2230a_100016992100_100000230001 [0,1,0,1,0,0|1,0,0]=3 21966 B11R1.78 OCCCOCC1CC(C1)Cl 34a_100009874164_100000230001 [0,1,0,1,0,0|1,0,0]=3 21967 B11R1.78 OCCOCCN1CC(C1)F 2230a_100000690557_100011215305 [0,1,0,1,0,0|2,0,0]=4 21968 B11R1.78 OCCOCCN1CC(C1)F 269982a_100000690557_100011215305 [0,1,0,1,0,0|2,0,0]=4 21969 B11R1.78 OCCOCCN1CC(C1)F 34a_100000690557_100000692535 [0,1,0,1,0,0|2,0,0]=4 21970 B11R1.78 OCCOCCN1CC(C1)O 269982a_100000749847_100011215305 [0,1,0,1,0,0|2,0,0]=4 21971 B11R1.78 O[C@H]1C[C@@H](C1)NCCCCF 2230a_100020629032_100000729493 [0,1,0,1,0,0|2,0,0]=4 21972 B11R1.81 CC1CCC(C(C1)C)OCF 34a_100011539931_100015361967 [0,1,0,1,0,0|2,0,0]=4 21973 B11R1.81 CC1CCC(C(C1)C)OCF 7a_100011539931_100015361967 [0,1,0,1,0,0|2,0,0]=4 21974 B11R1.81 CCOC1CCC(CC1C)C 34a_100011539931_100000210202 [0,1,0,1,0,0|2,0,0]=4 21975 B11R1.81 CCOC1CCC(CC1C)C 7a_100011539931_100000210202 [0,1,0,1,0,0|2,0,0]=4 21976 B11R1.81 C[C@H]1CN(CCN1CCO)C 2230a_100012002466_100000211926 [0,1,0,1,0,0|2,0,0]=4 21977 B11R1.81 C[C@H]1CN(CCN1CCO)C 269982a_100012002466_100000211926 [0,1,0,1,0,0|2,0,0]=4 21978 B11R1.110 CCCN1CCCCC(C1)O 2230a_100025706797_100000210303 [0,1,0,1,0,0|1,0,0]=3 21979 B11R1.110 CCCN1CCCCC(C1)O 269982a_100025706797_100000210303 [0,1,0,1,0,0|1,0,0]=3 21980 B11R1.110 CCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000210303 [0,1,0,1,0,0|2,0,0]=4 21981 B11R1.110 CCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000210303 [0,1,0,1,0,0|2,0,0]=4 21982 B11R1.110 COCN1CCCCC(C1)O 2230a_100025706797_100000766300 [0,1,0,1,0,0|2,0,0]=4 21983 B11R1.110 COCN1CCCCC(C1)O 269982a_100025706797_100000766300 [0,1,0,1,0,0|2,0,0]=4 21984 B11R1.110 CSCN1CCCCC(C1)O 2230a_100025706797_100011218213 [0,1,0,1,0,0|2,0,0]=4 21985 B11R1.110 CSCN1CCCCC(C1)O 269982a_100025706797_100011218213 [0,1,0,1,0,0|2,0,0]=4 21986 B11R1.110 OC1CCCCN(C1)CCF 2230a_100025706797_100011217306 [0,1,0,1,0,0|2,0,0]=4 21987 B11R1.110 OC1CCCCN(C1)CCF 269982a_100025706797_100011217306 [0,1,0,1,0,0|2,0,0]=4 21988 B11R1.110 OCCN1CCCCC(C1)O 2230a_100025706797_100000211926 [0,1,0,1,0,0|1,0,0]=3 21989 B11R1.110 OCCN1CCCCC(C1)O 269982a_100025706797_100000211926 [0,1,0,1,0,0|1,0,0]=3 21990 B11R1.110 OCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000211926 [0,1,0,1,0,0|2,0,0]=4 21991 B11R1.110 OCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000211926 [0,1,0,1,0,0|2,0,0]=4 21992 B11R1.117 C#CCN1CCCCCCC1 2230a_100000211400_100000038162 [0,1,0,1,0,0|1,0,1]=4 21993 B11R1.117 C#CCN1CCCCCCC1 34a_100000211400_100000184674 [0,1,0,1,0,0|1,0,1]=4 21994 B11R1.117 C=CCN1CCCCCCC1 2230a_100000211400_100000210623 [0,1,0,1,0,0|1,0,1]=4 21995 B11R1.117 C=CCN1CCCCCCC1 269982a_100000211400_100000210623 [0,1,0,1,0,0|1,0,1]=4 21996 B11R1.117 C=CCN1CCCCCCC1 34a_100000211400_100015514636 [0,1,0,1,0,0|1,0,1]=4 21997 B11R1.117 CCCN1CCCCCCC1 2230a_100000211400_100000210303 [0,1,0,1,0,0|1,0,0]=3 21998 B11R1.117 CCCN1CCCCCCC1 269982a_100000211400_100000210303 [0,1,0,1,0,0|1,0,0]=3 21999 B11R1.117 CCCN1CCCCCCC1 34a_100000211400_100000210303 [0,1,0,1,0,0|1,0,0]=3 22000 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [0,1,0,1,0,0|1,0,0]=3 22001 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [0,1,0,1,0,0|1,0,0]=3 22002 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [0,1,0,1,0,0|1,0,0]=3 22003 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [0,1,0,1,0,0|1,0,1]=4 22004 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [0,1,0,1,0,0|1,0,0]=3 22005 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [0,1,0,1,0,0|1,0,0]=3 22006 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [0,1,0,1,0,0|0,0,0]=2 22007 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [0,1,0,1,0,0|0,0,0]=2 22008 B11R1.117 COCN1CCCCCCC1 2230a_100000211400_100000766300 [0,1,0,1,0,0|1,0,0]=3 22009 B11R1.117 COCN1CCCCCCC1 269982a_100000211400_100000766300 [0,1,0,1,0,0|1,0,0]=3 22010 B11R1.117 CSCN1CCCCCCC1 2230a_100000211400_100011218213 [0,1,0,1,0,0|1,1,0]=4 22011 B11R1.117 CSCN1CCCCCCC1 269982a_100000211400_100011218213 [0,1,0,1,0,0|1,1,0]=4 22012 B11R1.117 CSCN1CCCCCCC1 34a_100000211400_100011218213 [0,1,0,1,0,0|1,1,0]=4 22013 B11R1.117 FCCN1CCCCCCC1 2230a_100000211400_100011217306 [0,1,0,1,0,0|1,0,0]=3 22014 B11R1.117 FCCN1CCCCCCC1 269982a_100000211400_100011217306 [0,1,0,1,0,0|1,0,0]=3 22015 B11R1.117 FCCN1CCCCCCC1 34a_100000211400_100011217306 [0,1,0,1,0,0|1,0,0]=3 22016 B11R1.117 FCNC1CCCCCCC1 34a_100000211152_100015361967 [0,1,0,1,0,0|1,0,0]=3 22017 B11R1.117 FCOC1CCCCCCC1 34a_100000210054_100015361967 [0,1,0,1,0,0|1,0,0]=3 22018 B11R1.117 FCOC1CCCCCCC1 7a_100000210054_100015361967 [0,1,0,1,0,0|1,0,0]=3 22019 B11R1.117 N#CCN1CCCCCCC1 2230a_100000211400_100011215382 [0,1,0,1,0,0|1,0,1]=4 22020 B11R1.117 N#CCN1CCCCCCC1 269982a_100000211400_100011214920 [0,1,0,1,0,0|1,0,1]=4 22021 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [0,1,0,1,0,0|0,0,2]=4 22022 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [0,1,0,1,0,0|0,0,2]=4 22023 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [0,1,0,1,0,0|0,0,2]=4 22024 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [0,1,0,1,0,0|0,0,0]=2 22025 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [0,1,0,1,0,0|0,0,0]=2 22026 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [0,1,0,1,0,0|0,0,0]=2 22027 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [0,1,0,1,0,0|0,0,0]=2 22028 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [0,1,0,1,0,0|0,0,0]=2 22029 B11R1.127 CCCC1CCC(C1)NCC 270004a_100015525214_200012087856 [0,1,0,1,0,0|2,0,0]=4 22030 B11R1.127 CCCN1CCC(C1)CCO 2230a_100016987287_100000210303 [0,1,0,1,0,0|1,0,0]=3 22031 B11R1.127 CCCN1CCC(C1)CCO 269982a_100016987287_100000210303 [0,1,0,1,0,0|1,0,0]=3 22032 B11R1.127 CCCN1CCC(C1)CCO 34a_100016987287_100000210303 [0,1,0,1,0,0|1,0,0]=3 22033 B11R1.127 CCO[C@H]1CCN(C1)CCO 2230a_100011787710_100000211926 [0,1,0,1,0,0|2,0,0]=4 22034 B11R1.127 CCO[C@H]1CCN(C1)CCO 269982a_100011787710_100000211926 [0,1,0,1,0,0|2,0,0]=4 22035 B11R1.127 CCO[C@H]1CCN(C1)CCO 34a_100011787710_100000211926 [0,1,0,1,0,0|2,0,0]=4 22036 B11R1.127 COCC1CCN(C1)CCO 2230a_100025706693_100000211926 [0,1,0,1,0,0|2,0,0]=4 22037 B11R1.127 COCC1CCN(C1)CCO 269982a_100025706693_100000211926 [0,1,0,1,0,0|2,0,0]=4 22038 B11R1.127 COCC1CCN(C1)CCO 34a_100025706693_100000211926 [0,1,0,1,0,0|2,0,0]=4 22039 B11R1.127 COCN1CCC(C1)CCO 2230a_100016987287_100000766300 [0,1,0,1,0,0|2,0,0]=4 22040 B11R1.127 COCN1CCC(C1)CCO 269982a_100016987287_100000766300 [0,1,0,1,0,0|2,0,0]=4 22041 B11R1.127 CSCN1CCC(C1)CCO 2230a_100016987287_100011218213 [0,1,0,1,0,0|2,0,0]=4 22042 B11R1.127 CSCN1CCC(C1)CCO 269982a_100016987287_100011218213 [0,1,0,1,0,0|2,0,0]=4 22043 B11R1.127 CSCN1CCC(C1)CCO 34a_100016987287_100011218213 [0,1,0,1,0,0|2,0,0]=4 22044 B11R1.127 OCCC1CCN(C1)CCF 2230a_100016987287_100011217306 [0,1,0,1,0,0|2,0,0]=4 22045 B11R1.127 OCCC1CCN(C1)CCF 269982a_100016987287_100011217306 [0,1,0,1,0,0|2,0,0]=4 22046 B11R1.127 OCCC1CCN(C1)CCF 34a_100016987287_100011217306 [0,1,0,1,0,0|2,0,0]=4 22047 B11R1.127 OCCC1CCN(C1)CCO 2230a_100016987287_100000211926 [0,1,0,1,0,0|2,0,0]=4 22048 B11R1.127 OCCC1CCN(C1)CCO 269982a_100016987287_100000211926 [0,1,0,1,0,0|2,0,0]=4 22049 B11R1.127 OCCC1CCN(C1)CCO 34a_100016987287_100000211926 [0,1,0,1,0,0|2,0,0]=4 22050 B11R1.135 CC1CCCN(CC1)CCF 2230a_100025706717_100011217306 [0,1,0,1,0,0|2,0,0]=4 22051 B11R1.135 CC1CCCN(CC1)CCF 269982a_100025706717_100011217306 [0,1,0,1,0,0|2,0,0]=4 22052 B11R1.135 CC1CCCN(CC1)CCF 34a_100025706717_100011217306 [0,1,0,1,0,0|2,0,0]=4 22053 B11R1.135 CC1CCCN(CC1)CCO 2230a_100025706717_100000211926 [0,1,0,1,0,0|1,0,0]=3 22054 B11R1.135 CC1CCCN(CC1)CCO 269982a_100025706717_100000211926 [0,1,0,1,0,0|1,0,0]=3 22055 B11R1.135 CC1CCCN(CC1)CCO 34a_100025706717_100000211926 [0,1,0,1,0,0|1,0,0]=3 22056 B11R1.135 CCCN1CCCC(CC1)C 2230a_100025706717_100000210303 [0,1,0,1,0,0|2,0,0]=4 22057 B11R1.135 CCCN1CCCC(CC1)C 269982a_100025706717_100000210303 [0,1,0,1,0,0|2,0,0]=4 22058 B11R1.135 CCCN1CCCC(CC1)C 34a_100025706717_100000210303 [0,1,0,1,0,0|2,0,0]=4 22059 B11R1.135 CCCN1CCCC(CC1)O 2230a_100015186869_100000210303 [0,1,0,1,0,0|2,0,0]=4 22060 B11R1.135 CCCN1CCCC(CC1)O 269982a_100015186869_100000210303 [0,1,0,1,0,0|2,0,0]=4 22061 B11R1.135 CN1CCCN(CC1)CCO 2230a_100000211313_100000211926 [0,1,0,1,0,0|2,0,0]=4 22062 B11R1.135 CN1CCCN(CC1)CCO 269982a_100000211313_100000211926 [0,1,0,1,0,0|2,0,0]=4 22063 B11R1.135 CN1CCCN(CC1)CCO 269982a_100000752306_200000210301 [0,1,0,1,0,0|2,0,0]=4 22064 B11R1.135 OC1CCCN(CC1)CCF 2230a_100015186869_100011217306 [0,1,0,1,0,0|2,0,0]=4 22065 B11R1.135 OC1CCCN(CC1)CCF 269982a_100015186869_100011217306 [0,1,0,1,0,0|2,0,0]=4 22066 B11R1.135 OCCN1CCCC(CC1)O 2230a_100015186869_100000211926 [0,1,0,1,0,0|1,0,0]=3 22067 B11R1.135 OCCN1CCCC(CC1)O 269982a_100015186869_100000211926 [0,1,0,1,0,0|1,0,0]=3 22068 B11R1.135 [13CH3]N1CCCN(CC1)CCO 269982a_100000752306_200025704644 [0,1,0,1,0,0|2,0,0]=4 22069 B11R1.180 C#CCCCN1CCC[C@@H]1C 2230a_100020605311_100000731252 [0,1,0,1,0,0|1,0,1]=4 22070 B11R1.180 C#CCCCN1CCC[C@@H]1C 269982a_100020605311_100011215417 [0,1,0,1,0,0|1,0,1]=4 22071 B11R1.180 C#CCCCN1CCC[C@H]1C 2230a_100015189458_100000731252 [0,1,0,1,0,0|1,0,1]=4 22072 B11R1.180 C#CCCCN1CCC[C@H]1C 269982a_100015189458_100011215417 [0,1,0,1,0,0|1,0,1]=4 22073 B11R1.180 C#CCCCN1CCC[C@H]1C 34a_100015189458_100000695029 [0,1,0,1,0,0|1,0,1]=4 22074 B11R1.180 C#CCCOC1CCCC1C 34a_100011216460_100000688953 [0,1,0,1,0,0|1,0,1]=4 22075 B11R1.180 C#CCCOC1CCCC1C 7a_100011216460_100000688953 [0,1,0,1,0,0|1,0,1]=4 22076 B11R1.180 C#CCCS[C@@H]1CCC[C@H]1O 62a_100000688953_200016002552 [0,1,0,1,0,0|0,0,2]=4 22077 B11R1.180 C#CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000688953 [0,1,0,1,0,0|0,0,2]=4 22078 B11R1.180 C/C=C/CS[C@@H]1CCC[C@H]1O 62a_100102629194_200016002552 [0,1,0,1,0,0|0,0,2]=4 22079 B11R1.180 C/C=C/CS[C@@H]1CCC[C@H]1O 62a_200016002552_100102629194 [0,1,0,1,0,0|0,0,2]=4 22080 B11R1.180 C=CCCCN1CCC[C@@H]1C 2230a_100020605311_100011713584 [0,1,0,1,0,0|1,0,1]=4 22081 B11R1.180 C=CCCCN1CCC[C@@H]1C 269982a_100020605311_100000757094 [0,1,0,1,0,0|1,0,1]=4 22082 B11R1.180 C=CCCCN1CCC[C@H]1C 2230a_100015189458_100011713584 [0,1,0,1,0,0|1,0,1]=4 22083 B11R1.180 C=CCCCN1CCC[C@H]1C 269982a_100015189458_100000757094 [0,1,0,1,0,0|1,0,1]=4 22084 B11R1.180 C=CCCCN1CCC[C@H]1C 34a_100015189458_100000757094 [0,1,0,1,0,0|1,0,1]=4 22085 B11R1.180 C=CCCNC1CCCC1C 269862a_100015191253_100000752053 [0,1,0,1,0,0|1,0,1]=4 22086 B11R1.180 C=CCCOC1CCCC1C 34a_100011216460_100000754431 [0,1,0,1,0,0|1,0,1]=4 22087 B11R1.180 C=CCCOC1CCCC1C 7a_100011216460_100000754431 [0,1,0,1,0,0|1,0,1]=4 22088 B11R1.180 C=CCCS[C@@H]1CCC[C@H]1O 62a_100000754431_200016002552 [0,1,0,1,0,0|0,0,2]=4 22089 B11R1.180 C=CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000754431 [0,1,0,1,0,0|0,0,2]=4 22090 B11R1.180 CC#CCS[C@@H]1CCC[C@H]1O 62a_100000748600_200016002552 [0,1,0,1,0,0|0,0,2]=4 22091 B11R1.180 CC#CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000748600 [0,1,0,1,0,0|0,0,2]=4 22092 B11R1.180 CC1CCCC1=NNCCO 4a_100000210001_100000752053 [0,1,0,1,0,0|1,0,1]=4 22093 B11R1.180 CC1CCCC1NCCCF 269862a_100015189416_100000752053 [0,1,0,1,0,0|1,0,0]=3 22094 B11R1.180 CC1CCCC1NCCCO 269862a_100000182051_100000752053 [0,1,0,1,0,0|0,0,0]=2 22095 B11R1.180 CC1CCCC1OCCC#N 7a_100011216460_100000184422 [0,1,0,1,0,0|1,0,1]=4 22096 B11R1.180 CC1CCCC1OCCCF 34a_100011216460_100011934791 [0,1,0,1,0,0|1,0,0]=3 22097 B11R1.180 CC1CCCC1OCCCF 7a_100011216460_100011934791 [0,1,0,1,0,0|1,0,0]=3 22098 B11R1.180 CC1CCCC1OCCCO 34a_100011216460_100000230001 [0,1,0,1,0,0|0,0,0]=2 22099 B11R1.180 CC1CCCC1OCCCO 7a_100011216460_100011215043 [0,1,0,1,0,0|0,0,0]=2 22100 B11R1.180 CC1OCCC1NCCCF 270004a_100015189416_100000691750 [0,1,0,1,0,0|2,0,0]=4 22101 B11R1.180 CC1OCCC1NCCCO 270004a_100000182051_100000691750 [0,1,0,1,0,0|1,0,0]=3 22102 B11R1.180 CC1SCCN1CCCCF 2230a_200011216479_100000729493 [0,1,0,1,0,0|2,0,0]=4 22103 B11R1.180 CC1SCCN1CCCCF 269982a_200011216479_100000729493 [0,1,0,1,0,0|2,0,0]=4 22104 B11R1.180 CC1SCCN1CCCCF 34a_200011216479_100000729493 [0,1,0,1,0,0|2,0,0]=4 22105 B11R1.180 CC1SCCN1CCCCO 2230a_200011216479_100000210776 [0,1,0,1,0,0|1,0,0]=3 22106 B11R1.180 CC1SCCN1CCCCO 269982a_200011216479_100000210776 [0,1,0,1,0,0|1,0,0]=3 22107 B11R1.180 CC1SCCN1CCCCO 34a_200011216479_100011216708 [0,1,0,1,0,0|1,0,0]=3 22108 B11R1.180 CC=CCS[C@@H]1CCC[C@H]1O 62a_100000070051_200016002552 [0,1,0,1,0,0|0,0,2]=4 22109 B11R1.180 CC=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000070051 [0,1,0,1,0,0|0,0,2]=4 22110 B11R1.180 CCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210326 [0,1,0,1,0,0|1,0,0]=3 22111 B11R1.180 CCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210215 [0,1,0,1,0,0|1,0,0]=3 22112 B11R1.180 CCCCCN1CCC[C@H]1C 2230a_100015189458_100000210326 [0,1,0,1,0,0|1,0,0]=3 22113 B11R1.180 CCCCCN1CCC[C@H]1C 269982a_100015189458_100000210215 [0,1,0,1,0,0|1,0,0]=3 22114 B11R1.180 CCCCCN1CCC[C@H]1C 34a_100015189458_100000718602 [0,1,0,1,0,0|1,0,0]=3 22115 B11R1.180 CCCCCN1CCSC1C 2230a_200011216479_100000210326 [0,1,0,1,0,0|2,0,0]=4 22116 B11R1.180 CCCCCN1CCSC1C 269982a_200011216479_100000210215 [0,1,0,1,0,0|2,0,0]=4 22117 B11R1.180 CCCCCN1CCSC1C 34a_200011216479_100000718602 [0,1,0,1,0,0|2,0,0]=4 22118 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [0,1,0,1,0,0|0,0,2]=4 22119 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [0,1,0,1,0,0|0,0,2]=4 22120 B11R1.180 CCCCNC1CCCC1C 269862a_100000102301_100000752053 [0,1,0,1,0,0|1,0,0]=3 22121 B11R1.180 CCCCNC1CCOC1C 270004a_100000102301_100000691750 [0,1,0,1,0,0|2,0,0]=4 22122 B11R1.180 CCCCNC1COCC1O 7a_106832991798_200000725654 [0,1,0,1,0,0|1,0,0]=3 22123 B11R1.180 CCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210211 [0,1,0,1,0,0|1,0,0]=3 22124 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [0,1,0,1,0,0|0,0,2]=4 22125 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [0,1,0,1,0,0|0,0,2]=4 22126 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [0,1,0,1,0,0|0,0,2]=4 22127 B11R1.180 CCCCOC1CCCC1C 34a_100011216460_100000210210 [0,1,0,1,0,0|1,0,0]=3 22128 B11R1.180 CCCCOC1CCCC1C 7a_100011216460_100000210211 [0,1,0,1,0,0|1,0,0]=3 22129 B11R1.180 CCCCOC1COCC1O 34a_100000210227_200000725654 [0,1,0,1,0,0|1,0,0]=3 22130 B11R1.180 CCCCOC1COCC1O 7a_100000210227_200000725654 [0,1,0,1,0,0|1,0,0]=3 22131 B11R1.180 CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210210 [0,1,0,1,0,0|1,0,0]=3 22132 B11R1.180 CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210210 [0,1,0,1,0,0|1,0,0]=3 22133 B11R1.180 CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210210 [0,1,0,1,0,0|2,0,0]=4 22134 B11R1.180 CCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210210 [0,1,0,1,0,0|2,0,0]=4 22135 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [0,1,0,1,0,0|0,0,2]=4 22136 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [0,1,0,1,0,0|0,0,2]=4 22137 B11R1.180 CCCCSC1COCC1O 62a_100000210211_200000725654 [0,1,0,1,0,0|1,0,0]=3 22138 B11R1.180 CCCCSC1COCC1O 62a_200000725654_100000210210 [0,1,0,1,0,0|1,0,0]=3 22139 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_100000210211_200016002552 [0,1,0,1,0,0|0,0,0]=2 22140 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210210 [0,1,0,1,0,0|0,0,0]=2 22141 B11R1.180 CCCNN=C1CCCC1O 4a_100000740057_200000719330 [0,1,0,1,0,0|1,0,1]=4 22142 B11R1.180 CCCOCC1CCCN1C 34a_100000743107_100000210303 [0,1,0,1,0,0|2,0,0]=4 22143 B11R1.180 CCNCCC1CCCN1C 2230a_100015525214_100000005710 [0,1,0,1,0,0|2,0,0]=4 22144 B11R1.180 CCOCCC1CCCN1C 34a_100011215177_100000210202 [0,1,0,1,0,0|2,0,0]=4 22145 B11R1.180 CCOCCC1CCCN1C 34a_100121572206_100000005710 [0,1,0,1,0,0|2,0,0]=4 22146 B11R1.180 CCOCCC1CCCN1C 7a_100011215177_100000210202 [0,1,0,1,0,0|2,0,0]=4 22147 B11R1.180 CCOCCN1CCC[C@@H]1C 2230a_100020605311_100011215890 [0,1,0,1,0,0|2,0,0]=4 22148 B11R1.180 CCOCCN1CCC[C@@H]1C 269982a_100020605311_100011215890 [0,1,0,1,0,0|2,0,0]=4 22149 B11R1.180 CCOCCN1CCC[C@H]1C 2230a_100015189458_100011215890 [0,1,0,1,0,0|2,0,0]=4 22150 B11R1.180 CCOCCN1CCC[C@H]1C 269982a_100015189458_100011215890 [0,1,0,1,0,0|2,0,0]=4 22151 B11R1.180 CCOCCN1CCC[C@H]1C 34a_100015189458_100000210147 [0,1,0,1,0,0|2,0,0]=4 22152 B11R1.180 CCOCSC1COCC1O 62a_100000739092_200000725654 [0,1,0,1,0,0|2,0,0]=4 22153 B11R1.180 CCOCSC1COCC1O 62a_200000725654_100000739092 [0,1,0,1,0,0|2,0,0]=4 22154 B11R1.180 CCOCS[C@@H]1CCC[C@H]1O 62a_100000739092_200016002552 [0,1,0,1,0,0|1,0,0]=3 22155 B11R1.180 CCOCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000739092 [0,1,0,1,0,0|1,0,0]=3 22156 B11R1.180 CCSCCC1CCCN1C 62a_100000005710_100000210202 [0,1,0,1,0,0|2,0,0]=4 22157 B11R1.180 CCSCCC1CCCN1C 62a_100000210202_100000005710 [0,1,0,1,0,0|2,0,0]=4 22158 B11R1.180 CCSCCN1CCC[C@@H]1C 2230a_100020605311_100000757381 [0,1,0,1,0,0|2,0,0]=4 22159 B11R1.180 CCSCCN1CCC[C@@H]1C 269982a_100020605311_100000757381 [0,1,0,1,0,0|2,0,0]=4 22160 B11R1.180 CCSCCN1CCC[C@H]1C 2230a_100015189458_100000757381 [0,1,0,1,0,0|2,0,0]=4 22161 B11R1.180 CCSCCN1CCC[C@H]1C 269982a_100015189458_100000757381 [0,1,0,1,0,0|2,0,0]=4 22162 B11R1.180 CCSCCN1CCC[C@H]1C 34a_100015189458_100000757381 [0,1,0,1,0,0|2,0,0]=4 22163 B11R1.180 CN1CCCC1CCOCF 34a_100011215177_100015361967 [0,1,0,1,0,0|2,0,0]=4 22164 B11R1.180 CN1CCCC1CCOCF 7a_100011215177_100015361967 [0,1,0,1,0,0|2,0,0]=4 22165 B11R1.180 CN1CCCC1CCSCF 62a_100000005710_100015361967 [0,1,0,1,0,0|2,0,0]=4 22166 B11R1.180 CN1CCCC1CCSCF 62a_100015361967_100000005710 [0,1,0,1,0,0|2,0,0]=4 22167 B11R1.180 CN1CCCC1COCCF 34a_100000743107_100011217306 [0,1,0,1,0,0|2,0,0]=4 22168 B11R1.180 CN1CCCC1COCCO 34a_100000743107_100000211926 [0,1,0,1,0,0|1,0,0]=3 22169 B11R1.180 COCCCN1CCC[C@@H]1C 2230a_100020605311_100000740836 [0,1,0,1,0,0|1,0,0]=3 22170 B11R1.180 COCCCN1CCC[C@@H]1C 269982a_100020605311_100000740836 [0,1,0,1,0,0|1,0,0]=3 22171 B11R1.180 COCCCN1CCC[C@H]1C 2230a_100015189458_100000740836 [0,1,0,1,0,0|1,0,0]=3 22172 B11R1.180 COCCCN1CCC[C@H]1C 269982a_100015189458_100000740836 [0,1,0,1,0,0|1,0,0]=3 22173 B11R1.180 COCCCN1CCC[C@H]1C 34a_100015189458_100000740836 [0,1,0,1,0,0|1,0,0]=3 22174 B11R1.180 COCCCN1CCSC1C 2230a_200011216479_100000740836 [0,1,0,1,0,0|2,0,0]=4 22175 B11R1.180 COCCCN1CCSC1C 269982a_200011216479_100000740836 [0,1,0,1,0,0|2,0,0]=4 22176 B11R1.180 COCCCN1CCSC1C 34a_200011216479_100000740836 [0,1,0,1,0,0|2,0,0]=4 22177 B11R1.180 COCCNC1CCCC1C 269862a_100000209980_100000752053 [0,1,0,1,0,0|1,0,0]=3 22178 B11R1.180 COCCNC1CCOC1C 270004a_100000209980_100000691750 [0,1,0,1,0,0|2,0,0]=4 22179 B11R1.180 COCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011201679 [0,1,0,1,0,0|2,0,0]=4 22180 B11R1.180 COCCOC1CCCC1C 34a_100011216460_100011201679 [0,1,0,1,0,0|1,0,0]=3 22181 B11R1.180 COCCOC1CCCC1C 7a_100011216460_100000233755 [0,1,0,1,0,0|1,0,0]=3 22182 B11R1.180 COCCOC1COCC1O 34a_100000210237_200000725654 [0,1,0,1,0,0|2,0,0]=4 22183 B11R1.180 COCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011201679 [0,1,0,1,0,0|2,0,0]=4 22184 B11R1.180 COCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011201679 [0,1,0,1,0,0|2,0,0]=4 22185 B11R1.180 COCCO[C@H]1CNC[C@H]1C 34a_200015306588_100011201679 [0,1,0,1,0,0|2,0,0]=4 22186 B11R1.180 COCCSC1COCC1O 62a_100000233755_200000725654 [0,1,0,1,0,0|2,0,0]=4 22187 B11R1.180 COCCSC1COCC1O 62a_200000725654_100000233755 [0,1,0,1,0,0|2,0,0]=4 22188 B11R1.180 COCCS[C@@H]1CCC[C@H]1O 62a_100000233755_200016002552 [0,1,0,1,0,0|1,0,0]=3 22189 B11R1.180 COCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000233755 [0,1,0,1,0,0|1,0,0]=3 22190 B11R1.180 CSCCNC1CCCC1C 269862a_100020590264_100000752053 [0,1,0,1,0,0|1,1,0]=4 22191 B11R1.180 CSCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000751147 [0,1,0,1,0,0|2,0,0]=4 22192 B11R1.180 CSCCOC1CCCC1C 34a_100011216460_100000212216 [0,1,0,1,0,0|1,1,0]=4 22193 B11R1.180 CSCCOC1CCCC1C 7a_100011216460_100000212216 [0,1,0,1,0,0|1,1,0]=4 22194 B11R1.180 CSCCOC1COCC1O 34a_100000230434_200000725654 [0,1,0,1,0,0|2,0,0]=4 22195 B11R1.180 CSCCOC1COCC1O 7a_100000230434_200000725654 [0,1,0,1,0,0|2,0,0]=4 22196 B11R1.180 CSCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000212216 [0,1,0,1,0,0|2,0,0]=4 22197 B11R1.180 CSCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000212216 [0,1,0,1,0,0|2,0,0]=4 22198 B11R1.180 CSCCSC1COCC1O 62a_100000212216_200000725654 [0,1,0,1,0,0|2,0,0]=4 22199 B11R1.180 CSCCSC1COCC1O 62a_200000725654_100000751147 [0,1,0,1,0,0|2,0,0]=4 22200 B11R1.180 CSCCS[C@@H]1CCC[C@H]1O 62a_100000212216_200016002552 [0,1,0,1,0,0|1,0,0]=3 22201 B11R1.180 CSCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000751147 [0,1,0,1,0,0|1,0,0]=3 22202 B11R1.180 C[C@@H]1CCCN1CC#CCO 2230a_100015189458_200000047223 [0,1,0,1,0,0|0,0,2]=4 22203 B11R1.180 C[C@@H]1CCCN1CC#CCO 34a_100015189458_200000047223 [0,1,0,1,0,0|0,0,2]=4 22204 B11R1.180 C[C@@H]1CCCN1CCCC#N 2230a_100015189458_100000687738 [0,1,0,1,0,0|1,0,1]=4 22205 B11R1.180 C[C@@H]1CCCN1CCCC#N 269982a_100015189458_100000687738 [0,1,0,1,0,0|1,0,1]=4 22206 B11R1.180 C[C@@H]1CCCN1CCCC=O 2230a_100015189458_200011292268 [0,1,0,1,0,0|0,0,2]=4 22207 B11R1.180 C[C@@H]1CCCN1CCCC=O 269982a_100015189458_200011292268 [0,1,0,1,0,0|0,0,2]=4 22208 B11R1.180 C[C@@H]1CCCN1CCCCF 2230a_100015189458_100000729493 [0,1,0,1,0,0|1,0,0]=3 22209 B11R1.180 C[C@@H]1CCCN1CCCCF 269982a_100015189458_100000729493 [0,1,0,1,0,0|1,0,0]=3 22210 B11R1.180 C[C@@H]1CCCN1CCCCF 34a_100015189458_100000729493 [0,1,0,1,0,0|1,0,0]=3 22211 B11R1.180 C[C@@H]1CCCN1CCCCO 2230a_100015189458_100000210776 [0,1,0,1,0,0|0,0,0]=2 22212 B11R1.180 C[C@@H]1CCCN1CCCCO 269982a_100015189458_100000210776 [0,1,0,1,0,0|0,0,0]=2 22213 B11R1.180 C[C@@H]1CCCN1CCCCO 34a_100015189458_100011216708 [0,1,0,1,0,0|0,0,0]=2 22214 B11R1.180 C[C@@H]1CNC[C@@H]1OCCCF 34a_200015306588_100011934791 [0,1,0,1,0,0|2,0,0]=4 22215 B11R1.180 C[C@@H]1CNC[C@@H]1OCCCO 34a_200015306588_100000230001 [0,1,0,1,0,0|1,0,0]=3 22216 B11R1.180 C[C@H]1CCCN1CC#CCO 2230a_100020605311_200000047223 [0,1,0,1,0,0|0,0,2]=4 22217 B11R1.180 C[C@H]1CCCN1CCCC#N 2230a_100020605311_100000687738 [0,1,0,1,0,0|1,0,1]=4 22218 B11R1.180 C[C@H]1CCCN1CCCC#N 269982a_100020605311_100000687738 [0,1,0,1,0,0|1,0,1]=4 22219 B11R1.180 C[C@H]1CCCN1CCCC=O 2230a_100020605311_200011292268 [0,1,0,1,0,0|0,0,2]=4 22220 B11R1.180 C[C@H]1CCCN1CCCC=O 269982a_100020605311_200011292268 [0,1,0,1,0,0|0,0,2]=4 22221 B11R1.180 C[C@H]1CCCN1CCCCF 2230a_100020605311_100000729493 [0,1,0,1,0,0|1,0,0]=3 22222 B11R1.180 C[C@H]1CCCN1CCCCF 269982a_100020605311_100000729493 [0,1,0,1,0,0|1,0,0]=3 22223 B11R1.180 C[C@H]1CCCN1CCCCO 2230a_100020605311_100000210776 [0,1,0,1,0,0|0,0,0]=2 22224 B11R1.180 C[C@H]1CCCN1CCCCO 269982a_100020605311_100000210776 [0,1,0,1,0,0|0,0,0]=2 22225 B11R1.180 FCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011934791 [0,1,0,1,0,0|2,0,0]=4 22226 B11R1.180 N#CCCS[C@@H]1CCC[C@H]1O 62a_100011215226_200016002552 [0,1,0,1,0,0|1,0,1]=4 22227 B11R1.180 N#CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215226 [0,1,0,1,0,0|1,0,1]=4 22228 B11R1.180 NCCCOC1COCC1O 34a_100000182051_200000725654 [0,1,0,1,0,0|2,0,0]=4 22229 B11R1.180 N[C@H]1CCC[C@@H]1OCCCF 34a_100000748460_100011934791 [0,1,0,1,0,0|2,0,0]=4 22230 B11R1.180 N[C@H]1CCC[C@@H]1OCCCO 34a_100000748460_100000230001 [0,1,0,1,0,0|1,0,0]=3 22231 B11R1.180 N[C@H]1COC[C@@H]1OCCCO 34a_100015191717_100000230001 [0,1,0,1,0,0|2,0,0]=4 22232 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [0,1,0,1,0,0|1,0,1]=4 22233 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [0,1,0,1,0,0|1,0,1]=4 22234 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [0,1,0,1,0,0|1,0,1]=4 22235 B11R1.180 OC1COCC1NCCCF 34a_100015189416_200000725654 [0,1,0,1,0,0|2,0,0]=4 22236 B11R1.180 OC1COCC1OCCCBr 34a_100011217188_200000725654 [0,1,0,1,0,0|2,0,0]=4 22237 B11R1.180 OC1COCC1OCCCCl 34a_100000230001_200000725654 [0,1,0,1,0,0|2,0,0]=4 22238 B11R1.180 OC1COCC1OCCCF 34a_100000759539_200000725654 [0,1,0,1,0,0|2,0,0]=4 22239 B11R1.180 OC1COCC1SCCCF 62a_100011934791_200000725654 [0,1,0,1,0,0|2,0,0]=4 22240 B11R1.180 OC1COCC1SCCCF 62a_200000725654_100011934791 [0,1,0,1,0,0|2,0,0]=4 22241 B11R1.180 OCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000230001 [0,1,0,1,0,0|2,0,0]=4 22242 B11R1.180 OCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000230001 [0,1,0,1,0,0|1,0,0]=3 22243 B11R1.180 OCCCSC1COCC1O 62a_100011215043_200000725654 [0,1,0,1,0,0|2,0,0]=4 22244 B11R1.180 OCCCSC1COCC1O 62a_200000725654_100011215043 [0,1,0,1,0,0|2,0,0]=4 22245 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_100011215043_200016002552 [0,1,0,1,0,0|1,0,0]=3 22246 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215043 [0,1,0,1,0,0|1,0,0]=3 22247 B11R1.180 O[C@@H]1CCC[C@H]1SCCCF 62a_100011934791_200016002552 [0,1,0,1,0,0|1,0,0]=3 22248 B11R1.180 O[C@@H]1CCC[C@H]1SCCCF 62a_200016002552_100011934791 [0,1,0,1,0,0|1,0,0]=3 22249 B11R1.180 O[C@H]1COC[C@@H]1NCCCF 2230a_100015191717_100011934791 [0,1,0,1,0,0|2,0,0]=4 22250 B11R1.189 CCC1CCCC(C1)OCF 7a_100011985506_100015361967 [0,1,0,1,0,0|2,0,0]=4 22251 B11R1.189 CCC1CN(CCO1)CCO 2230a_100000736320_100000211926 [0,1,0,1,0,0|2,0,0]=4 22252 B11R1.189 CCC1CN(CCO1)CCO 269982a_100000736320_100000211926 [0,1,0,1,0,0|2,0,0]=4 22253 B11R1.189 CCC1CN(CCO1)CCO 34a_100000736320_100000211926 [0,1,0,1,0,0|2,0,0]=4 22254 B11R1.189 CCCN1CCCC(C1)CF 2230a_100016992999_100000210303 [0,1,0,1,0,0|2,0,0]=4 22255 B11R1.189 CCCN1CCCC(C1)CF 269982a_100016992999_100000210303 [0,1,0,1,0,0|2,0,0]=4 22256 B11R1.189 CCCN1CCCC(C1)CF 34a_100016992999_100000210303 [0,1,0,1,0,0|2,0,0]=4 22257 B11R1.189 CCCN1CCCC(C1)CO 2230a_100000211344_100000210303 [0,1,0,1,0,0|1,0,0]=3 22258 B11R1.189 CCCN1CCCC(C1)CO 269982a_100000211344_100000210303 [0,1,0,1,0,0|1,0,0]=3 22259 B11R1.189 CCCN1CCCC(C1)CO 34a_100000211344_100000210303 [0,1,0,1,0,0|1,0,0]=3 22260 B11R1.189 CCCN1CCO[C@@H](C1)CO 2230a_100015189573_100000210303 [0,1,0,1,0,0|2,0,0]=4 22261 B11R1.189 CCCN1CCO[C@@H](C1)CO 269982a_100015189573_100000210303 [0,1,0,1,0,0|2,0,0]=4 22262 B11R1.189 CCCN1CCO[C@@H](C1)CO 34a_100015189573_100000210303 [0,1,0,1,0,0|2,0,0]=4 22263 B11R1.189 CCN1CCCC(C1)CCO 2230a_100000752241_100000210202 [0,1,0,1,0,0|1,0,0]=3 22264 B11R1.189 CCN1CCCC(C1)CCO 269982a_100000752241_100000204670 [0,1,0,1,0,0|1,0,0]=3 22265 B11R1.189 CCN1CCCC(C1)CCO 34a_100000752241_100000210202 [0,1,0,1,0,0|1,0,0]=3 22266 B11R1.189 CCNC1CCCC(C1)CC 270004a_100015525214_100000756783 [0,1,0,1,0,0|2,0,0]=4 22267 B11R1.189 CCOC1CCCC(C1)CC 7a_100011985506_100000210202 [0,1,0,1,0,0|2,0,0]=4 22268 B11R1.189 CCOC1CCCC(C1)CN 34a_100011254705_100000210202 [0,1,0,1,0,0|2,0,0]=4 22269 B11R1.189 COC1CCCN(C1)CCO 2230a_100000695604_100000211926 [0,1,0,1,0,0|2,0,0]=4 22270 B11R1.189 COC1CCCN(C1)CCO 269982a_100000695604_100000211926 [0,1,0,1,0,0|2,0,0]=4 22271 B11R1.189 COC1CCCN(C1)CCO 34a_100000695604_100000211926 [0,1,0,1,0,0|2,0,0]=4 22272 B11R1.189 COCN1CCCC(C1)CO 2230a_100000211344_100000766300 [0,1,0,1,0,0|2,0,0]=4 22273 B11R1.189 COCN1CCCC(C1)CO 269982a_100000211344_100000766300 [0,1,0,1,0,0|2,0,0]=4 22274 B11R1.189 CSCN1CCCC(C1)CO 2230a_100000211344_100011218213 [0,1,0,1,0,0|2,0,0]=4 22275 B11R1.189 CSCN1CCCC(C1)CO 269982a_100000211344_100011218213 [0,1,0,1,0,0|2,0,0]=4 22276 B11R1.189 CSCN1CCCC(C1)CO 34a_100000211344_100011218213 [0,1,0,1,0,0|2,0,0]=4 22277 B11R1.189 OCC1CCCN(C1)CCF 2230a_100000211344_100011217306 [0,1,0,1,0,0|2,0,0]=4 22278 B11R1.189 OCC1CCCN(C1)CCF 269982a_100000211344_100011217306 [0,1,0,1,0,0|2,0,0]=4 22279 B11R1.189 OCC1CCCN(C1)CCF 34a_100000211344_100011217306 [0,1,0,1,0,0|2,0,0]=4 22280 B11R1.189 OCCC1CCCN(C1)CF 269982a_100000752241_100015361967 [0,1,0,1,0,0|2,0,0]=4 22281 B11R1.189 OCCC1CCCN(C1)CF 34a_100000752241_100015361967 [0,1,0,1,0,0|2,0,0]=4 22282 B11R1.189 OCCN1CCCC(C1)CF 2230a_100016992999_100000211926 [0,1,0,1,0,0|2,0,0]=4 22283 B11R1.189 OCCN1CCCC(C1)CF 269982a_100016992999_100000211926 [0,1,0,1,0,0|2,0,0]=4 22284 B11R1.189 OCCN1CCCC(C1)CF 34a_100016992999_100000211926 [0,1,0,1,0,0|2,0,0]=4 22285 B11R1.189 OCCN1CCCC(C1)CO 2230a_100000211344_100000211926 [0,1,0,1,0,0|2,0,0]=4 22286 B11R1.189 OCCN1CCCC(C1)CO 269982a_100000211344_100000211926 [0,1,0,1,0,0|2,0,0]=4 22287 B11R1.189 OCCN1CCCC(C1)CO 34a_100000211344_100000211926 [0,1,0,1,0,0|2,0,0]=4 22288 B11R1.199 CC(CCO)N1CCC[C@@H]1C 2230a_100020605311_100009893172 [0,1,0,1,0,0|1,0,0]=3 22289 B11R1.199 CC(CCO)N1CCC[C@@H]1C 269982a_100020605311_100009893172 [0,1,0,1,0,0|1,0,0]=3 22290 B11R1.199 CC(CCO)N1CCC[C@H]1C 2230a_100015189458_100009893172 [0,1,0,1,0,0|1,0,0]=3 22291 B11R1.199 CC(CCO)N1CCC[C@H]1C 269982a_100015189458_100009893172 [0,1,0,1,0,0|1,0,0]=3 22292 B11R1.199 CC(CCO)N1CCC[C@H]1C 34a_100015189458_100009893172 [0,1,0,1,0,0|1,0,0]=3 22293 B11R1.199 CC(CCO)N1CCSC1C 2230a_200011216479_100009893172 [0,1,0,1,0,0|2,0,0]=4 22294 B11R1.199 CC(CCO)N1CCSC1C 269982a_200011216479_100009893172 [0,1,0,1,0,0|2,0,0]=4 22295 B11R1.199 CC(CCO)N1CCSC1C 34a_200011216479_100009893172 [0,1,0,1,0,0|2,0,0]=4 22296 B11R1.199 CC1CCCC1C(=O)CCF 1458a_100000690547_100011217306 [0,1,0,1,0,0|1,0,1]=4 22297 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [0,1,0,1,0,0|0,0,1]=3 22298 B11R1.199 CC1OCCC1N(C)CCO 270004a_100000210263_100000691750 [0,1,0,1,0,0|2,0,0]=4 22299 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,1,0,1,0,0|1,0,1]=4 22300 B11R1.199 CCCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000766640 [0,1,0,1,0,0|2,0,0]=4 22301 B11R1.199 CCCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000766640 [0,1,0,1,0,0|2,0,0]=4 22302 B11R1.199 CCCC(C)N1CCC[C@@H]1C 270004a_100020605311_100000211909 [0,1,0,1,0,0|2,0,0]=4 22303 B11R1.199 CCCC(C)N1CCC[C@H]1C 2230a_100015189458_100000766640 [0,1,0,1,0,0|2,0,0]=4 22304 B11R1.199 CCCC(C)N1CCC[C@H]1C 269982a_100015189458_100000766640 [0,1,0,1,0,0|2,0,0]=4 22305 B11R1.199 CCCC(C)N1CCC[C@H]1C 270004a_100015189458_100000211909 [0,1,0,1,0,0|2,0,0]=4 22306 B11R1.199 CCCC(C)N1CCC[C@H]1C 34a_100015189458_100000766640 [0,1,0,1,0,0|2,0,0]=4 22307 B11R1.199 CCCN(C)[C@@H]1CCC[C@H]1O 269982a_100000747261_200016002552 [0,1,0,1,0,0|1,0,0]=3 22308 B11R1.199 CN(CCO)[C@@H]1CCC[C@H]1O 269982a_100000210263_200016002552 [0,1,0,1,0,0|2,0,0]=4 22309 B11R1.199 CN1CCC[C@H]1C(=O)CCO 1458a_100009816429_100000211926 [0,1,0,1,0,0|1,0,1]=4 22310 B11R1.199 C[C@@H]1CCCN1C(=O)CCO 240690a_100015189458_100011216618 [0,1,0,1,0,0|1,0,1]=4 22311 B11R1.199 C[C@H]1CCCN1C(=O)CCO 240690a_100020605311_100011216618 [0,1,0,1,0,0|1,0,1]=4 22312 B11R1.210 CCCOC1CN(C1)CCO 269982a_200020626125_100000211926 [0,1,0,1,0,0|2,0,0]=4 22313 B11R1.210 CCCOC1CN(C1)CCO 34a_200020626125_100000211926 [0,1,0,1,0,0|2,0,0]=4 22314 B11R1.210 CCOC1CN(C1)CCCO 269982a_100000732654_100011215043 [0,1,0,1,0,0|2,0,0]=4 22315 B11R1.210 CCOC1CN(C1)CCCO 34a_100000732654_100000230001 [0,1,0,1,0,0|2,0,0]=4 22316 B11R1.210 COCC1CC(C1)NCCO 2230a_100012180050_100000211926 [0,1,0,1,0,0|2,0,0]=4 22317 B11R1.210 COCC1CC(C1)NCCO 270004a_100000210304_100010371266 [0,1,0,1,0,0|2,0,0]=4 22318 B11R1.210 COCC1CN(C1)CCCO 2230a_100016993750_100000230001 [0,1,0,1,0,0|2,0,0]=4 22319 B11R1.210 COCC1CN(C1)CCCO 269982a_100016993750_100011215043 [0,1,0,1,0,0|2,0,0]=4 22320 B11R1.210 COCC1CN(C1)CCCO 34a_100016993750_100000230001 [0,1,0,1,0,0|2,0,0]=4 22321 B11R1.288 CC(CCO)OCC1CC1C 34a_100000744939_100009893172 [0,1,0,1,0,0|1,0,0]=3 22322 B11R1.288 CC(CCO)OCC1CC1C 7a_100000744939_100009893172 [0,1,0,1,0,0|1,0,0]=3 22323 B11R1.288 CCCC(C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011216630 [0,1,0,1,0,0|2,0,0]=4 22324 B11R1.288 CCCC(C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011216630 [0,1,0,1,0,0|2,0,0]=4 22325 B11R1.288 CCCC(C)CN[C@@H]1C[C@H]1F 34a_100025746932_100011216630 [0,1,0,1,0,0|2,0,0]=4 22326 B11R1.288 CCCC(C)OCC1CC1C 34a_100000744939_100000766640 [0,1,0,1,0,0|2,0,0]=4 22327 B11R1.288 CCCC(C)OCC1CC1C 7a_100000744939_100000766640 [0,1,0,1,0,0|2,0,0]=4 22328 B11R1.289 CC(CCBr)OCC1CCC1 34a_100012276601_100000763275 [0,1,0,1,0,0|2,0,0]=4 22329 B11R1.289 CC(CCBr)OCC1CCO1 34a_100012276601_100000103362 [0,1,0,1,0,0|2,0,0]=4 22330 B11R1.289 CC(CCN)COC1CCC1 34a_106354213184_100000749161 [0,1,0,1,0,0|2,0,0]=4 22331 B11R1.289 CC(CCO)NCC1CCC1 2230a_100000738700_100009893172 [0,1,0,1,0,0|1,0,0]=3 22332 B11R1.289 CC(CCO)NCC1CCC1 34a_100000738700_100009893172 [0,1,0,1,0,0|1,0,0]=3 22333 B11R1.289 CC(CCO)NCC1COC1 2230a_100015281925_100009893172 [0,1,0,1,0,0|2,0,0]=4 22334 B11R1.289 CC(CCO)NCC1COC1 34a_100015281925_100009893172 [0,1,0,1,0,0|2,0,0]=4 22335 B11R1.289 CC(CCO)NC[C@@H]1CCO1 2230a_100020831831_100009893172 [0,1,0,1,0,0|2,0,0]=4 22336 B11R1.289 CC(CCO)NC[C@@H]1CCO1 34a_100020831831_100009893172 [0,1,0,1,0,0|2,0,0]=4 22337 B11R1.289 CC(CCO)OCC1CCC1 34a_100000760304_100009893172 [0,1,0,1,0,0|1,0,0]=3 22338 B11R1.289 CC(CCO)OCC1CCO1 34a_100000039022_100009893172 [0,1,0,1,0,0|2,0,0]=4 22339 B11R1.289 CC(CCO)OCC1CNC1 34a_100016987283_100009893172 [0,1,0,1,0,0|2,0,0]=4 22340 B11R1.289 CC(CCO)OCC1COC1 34a_100000060846_100009893172 [0,1,0,1,0,0|2,0,0]=4 22341 B11R1.289 CC(CCO)SCC1CCC1 62a_100000763275_100009893172 [0,1,0,1,0,0|1,0,0]=3 22342 B11R1.289 CC(CCO)SCC1CCC1 62a_100009893172_100000763275 [0,1,0,1,0,0|1,0,0]=3 22343 B11R1.289 CC(CCO)SCC1CCO1 62a_100000103362_100009893172 [0,1,0,1,0,0|2,0,0]=4 22344 B11R1.289 CC(CCO)SCC1CCO1 62a_100009893172_100000103362 [0,1,0,1,0,0|2,0,0]=4 22345 B11R1.289 CC(CCO)SCC1COC1 62a_100009893172_100010264016 [0,1,0,1,0,0|2,0,0]=4 22346 B11R1.289 CC(CCO)SCC1COC1 62a_100010264016_100009893172 [0,1,0,1,0,0|2,0,0]=4 22347 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000211992 [0,1,0,1,0,0|1,0,1]=4 22348 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000211992 [0,1,0,1,0,0|1,0,1]=4 22349 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000211992 [0,1,0,1,0,0|1,0,1]=4 22350 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000211992 [0,1,0,1,0,0|1,0,1]=4 22351 B11R1.289 CCCC(C)CNC1CCC1 2230a_100000749019_100011216630 [0,1,0,1,0,0|2,0,0]=4 22352 B11R1.289 CCCC(C)CNC1CCC1 34a_100000749019_100011216630 [0,1,0,1,0,0|2,0,0]=4 22353 B11R1.289 CCCC(C)COC1CCC1 34a_100000688023_100000749161 [0,1,0,1,0,0|2,0,0]=4 22354 B11R1.289 CCCC(C)COC1CCC1 34a_100000748187_100011216630 [0,1,0,1,0,0|2,0,0]=4 22355 B11R1.289 CCCC(C)CSC1CCC1 62a_100011216630_100000749161 [0,1,0,1,0,0|2,0,0]=4 22356 B11R1.289 CCCC(C)NCC1CCC1 2230a_100000738700_100000766640 [0,1,0,1,0,0|2,0,0]=4 22357 B11R1.289 CCCC(C)NCC1CCC1 2230a_100000741246_100000763275 [0,1,0,1,0,0|2,0,0]=4 22358 B11R1.289 CCCC(C)NCC1CCC1 269862a_100000741246_100000753134 [0,1,0,1,0,0|2,0,0]=4 22359 B11R1.289 CCCC(C)NCC1CCC1 270004a_100000738700_100000211909 [0,1,0,1,0,0|2,0,0]=4 22360 B11R1.289 CCCC(C)NCC1CCC1 34a_100000738700_100000766640 [0,1,0,1,0,0|2,0,0]=4 22361 B11R1.289 CCCC(C)NCC1CCO1 2230a_100000741246_100000103362 [0,1,0,1,0,0|1,0,0]=3 22362 B11R1.289 CCCC(C)NC[C@@H]1CCO1 2230a_100020831831_100000766640 [0,1,0,1,0,0|1,0,0]=3 22363 B11R1.289 CCCC(C)NC[C@@H]1CCO1 270004a_100020831831_100000211909 [0,1,0,1,0,0|1,0,0]=3 22364 B11R1.289 CCCC(C)NC[C@@H]1CCO1 34a_100020831831_100000766640 [0,1,0,1,0,0|1,0,0]=3 22365 B11R1.289 CCCC(C)OCC1CCC1 34a_100000760304_100000766640 [0,1,0,1,0,0|2,0,0]=4 22366 B11R1.289 CCCC(C)OCC1CCC1 34a_100000764384_100000763275 [0,1,0,1,0,0|2,0,0]=4 22367 B11R1.289 CCCC(C)OCC1CCC1 7a_100000764384_100000763275 [0,1,0,1,0,0|2,0,0]=4 22368 B11R1.289 CCCC(C)OCC1CCO1 34a_100000039022_100000766640 [0,1,0,1,0,0|1,0,0]=3 22369 B11R1.289 CCCC(C)OCC1CCO1 34a_100000764384_100000103362 [0,1,0,1,0,0|1,0,0]=3 22370 B11R1.289 CCCC(C)OCC1CCO1 7a_100000764384_100000103362 [0,1,0,1,0,0|1,0,0]=3 22371 B11R1.289 CCCC(C)SCC1CCC1 62a_100000763275_100000766640 [0,1,0,1,0,0|2,0,0]=4 22372 B11R1.289 CCCC(C)SCC1CCC1 62a_100000766640_100000763275 [0,1,0,1,0,0|2,0,0]=4 22373 B11R1.289 CCCC(C)SCC1CCO1 62a_100000103362_100000766640 [0,1,0,1,0,0|1,0,0]=3 22374 B11R1.289 CCCC(C)SCC1CCO1 62a_100000766640_100000103362 [0,1,0,1,0,0|1,0,0]=3 22375 B11R1.289 CCC[C@H](N)COC1CCC1 34a_100000732646_100000749161 [0,1,0,1,0,0|2,0,0]=4 22376 B11R1.289 COCC(C)NC[C@@H]1CCO1 2230a_100020831831_100000765312 [0,1,0,1,0,0|2,0,0]=4 22377 B11R1.289 COCC(C)NC[C@@H]1CCO1 270004a_100020831831_100000749346 [0,1,0,1,0,0|2,0,0]=4 22378 B11R1.289 COCC(C)NC[C@@H]1CCO1 34a_100020831831_100000765312 [0,1,0,1,0,0|2,0,0]=4 22379 B11R1.289 COCC(C)OCC1CCO1 34a_100000039022_100000765312 [0,1,0,1,0,0|2,0,0]=4 22380 B11R1.289 COCC(C)SCC1CCO1 62a_100000103362_100000765312 [0,1,0,1,0,0|2,0,0]=4 22381 B11R1.289 COCC(C)SCC1CCO1 62a_100000765312_100000103362 [0,1,0,1,0,0|2,0,0]=4 22382 B11R1.289 COC[C@@H](C)NCC1CCO1 2230a_100000764878_100000103362 [0,1,0,1,0,0|2,0,0]=4 22383 B11R1.289 COC[C@@H](C)OCC1CCO1 34a_100011934205_100000103362 [0,1,0,1,0,0|2,0,0]=4 22384 B11R1.289 CSCC(C)NC[C@@H]1CCO1 270004a_100020831831_100011216314 [0,1,0,1,0,0|2,0,0]=4 22385 B11R1.289 C[C@H](CCO)NCC1CCC1 2230a_100000706166_100000763275 [0,1,0,1,0,0|1,0,0]=3 22386 B11R1.289 C[C@H](CCO)NCC1CCC1 269862a_100000706166_100000753134 [0,1,0,1,0,0|1,0,0]=3 22387 B11R1.289 C[C@H](CCO)NCC1CCC1 34a_100000706166_100000763275 [0,1,0,1,0,0|1,0,0]=3 22388 B11R1.289 C[C@H](CCO)NCC1CCO1 2230a_100000706166_100000103362 [0,1,0,1,0,0|2,0,0]=4 22389 B11R1.289 C[C@H](CCO)NCC1CCO1 34a_100000706166_100000103362 [0,1,0,1,0,0|2,0,0]=4 22390 B11R1.289 C[C@H](CCO)NCC1COC1 2230a_100000706166_100010264016 [0,1,0,1,0,0|2,0,0]=4 22391 B11R1.289 C[C@H](CCO)NCC1COC1 34a_100000706166_100010264016 [0,1,0,1,0,0|2,0,0]=4 22392 B11R1.289 O=C(CCO)NCC1CCC1 240690a_100000738700_100011216618 [0,1,0,1,0,0|1,0,1]=4 22393 B11R1.290 CC(CCBr)OCCC1CC1 34a_100012276601_100000694398 [0,1,0,1,0,0|2,0,0]=4 22394 B11R1.290 CC(CCBr)OCCC1CO1 34a_100012276601_100000732470 [0,1,0,1,0,0|2,0,0]=4 22395 B11R1.290 CC(CCN)COCC1CC1 34a_106354213184_100000742324 [0,1,0,1,0,0|2,0,0]=4 22396 B11R1.290 CC(CCN)COCC1CO1 34a_106354213184_102125554688 [0,1,0,1,0,0|2,0,0]=4 22397 B11R1.290 CC(CCO)NCCC1CC1 34a_100000764129_100009893172 [0,1,0,1,0,0|1,0,0]=3 22398 B11R1.290 CC(CCO)OCCC1CC1 34a_100000754188_100009893172 [0,1,0,1,0,0|1,0,0]=3 22399 B11R1.290 CC(CCO)OCCC1CC1 7a_100000754188_100009893172 [0,1,0,1,0,0|1,0,0]=3 22400 B11R1.290 CC(CCO)OCC[C@@H]1CO1 34a_100009820653_100009893172 [0,1,0,1,0,0|2,0,0]=4 22401 B11R1.290 CC(CCO)SCCC1CC1 62a_100000764125_100009893172 [0,1,0,1,0,0|1,0,0]=3 22402 B11R1.290 CC(CCO)SCCC1CC1 62a_100009893172_100000764125 [0,1,0,1,0,0|1,0,0]=3 22403 B11R1.290 CC(CCO)SCCC1CO1 62a_100000732470_100009893172 [0,1,0,1,0,0|2,0,0]=4 22404 B11R1.290 CC(CCO)SCCC1CO1 62a_100009893172_100000732470 [0,1,0,1,0,0|2,0,0]=4 22405 B11R1.290 CCCC(=O)CCCC1CO1 1458a_100000211992_100000733510 [0,1,0,1,0,0|0,0,1]=3 22406 B11R1.290 CCCC(=O)CSCC1CO1 62a_100000747444_102125554688 [0,1,0,1,0,0|1,0,1]=4 22407 B11R1.290 CCCC(=O)CSCC1CO1 62a_102125554688_100000747444 [0,1,0,1,0,0|1,0,1]=4 22408 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747444 [0,1,0,1,0,0|1,0,1]=4 22409 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000747444_100000745022 [0,1,0,1,0,0|1,0,1]=4 22410 B11R1.290 CCCC(C)CCOC1CC1 34a_100011217855_100000211595 [0,1,0,1,0,0|2,0,0]=4 22411 B11R1.290 CCCC(C)CNCC1CC1 2230a_100000735609_100011216630 [0,1,0,1,0,0|2,0,0]=4 22412 B11R1.290 CCCC(C)CNCC1CC1 270004a_100000735609_100000243154 [0,1,0,1,0,0|2,0,0]=4 22413 B11R1.290 CCCC(C)CNCC1CC1 34a_100000735609_100011216630 [0,1,0,1,0,0|2,0,0]=4 22414 B11R1.290 CCCC(C)COCC1CC1 34a_100000211283_100011216630 [0,1,0,1,0,0|2,0,0]=4 22415 B11R1.290 CCCC(C)COCC1CC1 34a_100000688023_100000742324 [0,1,0,1,0,0|2,0,0]=4 22416 B11R1.290 CCCC(C)COCC1CC1 7a_100000688023_100000742324 [0,1,0,1,0,0|2,0,0]=4 22417 B11R1.290 CCCC(C)COCC1CO1 34a_100000688023_102125554688 [0,1,0,1,0,0|1,0,0]=3 22418 B11R1.290 CCCC(C)COCC1CO1 7a_100000688023_102125554688 [0,1,0,1,0,0|1,0,0]=3 22419 B11R1.290 CCCC(C)COCC1CS1 7a_100000688023_100000031435 [0,1,0,1,0,0|1,1,0]=4 22420 B11R1.290 CCCC(C)COC[C@@H]1CO1 34a_100000757423_100011216630 [0,1,0,1,0,0|1,0,0]=3 22421 B11R1.290 CCCC(C)COC[C@@H]1CO1 7a_100000688023_100000745022 [0,1,0,1,0,0|1,0,0]=3 22422 B11R1.290 CCCC(C)CSCC1CC1 62a_100000756562_100011216630 [0,1,0,1,0,0|2,0,0]=4 22423 B11R1.290 CCCC(C)CSCC1CC1 62a_100011216630_100000742324 [0,1,0,1,0,0|2,0,0]=4 22424 B11R1.290 CCCC(C)CSCC1CO1 62a_100011216630_102125554688 [0,1,0,1,0,0|1,0,0]=3 22425 B11R1.290 CCCC(C)CSCC1CO1 62a_102125554688_100011216630 [0,1,0,1,0,0|1,0,0]=3 22426 B11R1.290 CCCC(C)CSCC1CS1 62a_100000031435_100011216630 [0,1,0,1,0,0|1,1,0]=4 22427 B11R1.290 CCCC(C)CSCC1CS1 62a_100011216630_100000031435 [0,1,0,1,0,0|1,1,0]=4 22428 B11R1.290 CCCC(C)CSC[C@@H]1CO1 62a_100000745022_100011216630 [0,1,0,1,0,0|1,0,0]=3 22429 B11R1.290 CCCC(C)CSC[C@@H]1CO1 62a_100011216630_100000745022 [0,1,0,1,0,0|1,0,0]=3 22430 B11R1.290 CCCC(C)NCCC1CC1 2230a_100000741246_100000694398 [0,1,0,1,0,0|2,0,0]=4 22431 B11R1.290 CCCC(C)NCCC1CC1 270004a_100000764129_100000211909 [0,1,0,1,0,0|2,0,0]=4 22432 B11R1.290 CCCC(C)NCCC1CC1 34a_100000764129_100000766640 [0,1,0,1,0,0|2,0,0]=4 22433 B11R1.290 CCCC(C)NCCC1CO1 2230a_100000741246_100000732470 [0,1,0,1,0,0|1,0,0]=3 22434 B11R1.290 CCCC(C)OCCC1CC1 34a_100000754188_100000766640 [0,1,0,1,0,0|2,0,0]=4 22435 B11R1.290 CCCC(C)OCCC1CC1 34a_100000764384_100000694398 [0,1,0,1,0,0|2,0,0]=4 22436 B11R1.290 CCCC(C)OCCC1CC1 7a_100000754188_100000766640 [0,1,0,1,0,0|2,0,0]=4 22437 B11R1.290 CCCC(C)OCCC1CC1 7a_100000764384_100000764125 [0,1,0,1,0,0|2,0,0]=4 22438 B11R1.290 CCCC(C)OCCC1CO1 34a_100000764384_100000732470 [0,1,0,1,0,0|1,0,0]=3 22439 B11R1.290 CCCC(C)OCCC1CO1 7a_100000764384_100000732470 [0,1,0,1,0,0|1,0,0]=3 22440 B11R1.290 CCCC(C)OCC[C@@H]1CO1 34a_100009820653_100000766640 [0,1,0,1,0,0|1,0,0]=3 22441 B11R1.290 CCCC(C)SCCC1CC1 62a_100000764125_100000766640 [0,1,0,1,0,0|2,0,0]=4 22442 B11R1.290 CCCC(C)SCCC1CC1 62a_100000766640_100000764125 [0,1,0,1,0,0|2,0,0]=4 22443 B11R1.290 CCCC(C)SCCC1CO1 62a_100000732470_100000766640 [0,1,0,1,0,0|1,0,0]=3 22444 B11R1.290 CCCC(C)SCCC1CO1 62a_100000766640_100000732470 [0,1,0,1,0,0|1,0,0]=3 22445 B11R1.290 CCCN(C)CCCC1CO1 2230a_100000747261_100000733510 [0,1,0,1,0,0|1,0,0]=3 22446 B11R1.290 CCCN(C)CCCC1CO1 269982a_100000747261_100000733510 [0,1,0,1,0,0|1,0,0]=3 22447 B11R1.290 CCC[C@H](N)CCOC1CC1 34a_100015193777_100000211595 [0,1,0,1,0,0|2,0,0]=4 22448 B11R1.290 CCC[C@H](N)COCC1CC1 34a_100000732646_100000742324 [0,1,0,1,0,0|2,0,0]=4 22449 B11R1.290 CCC[C@H](N)COCC1CO1 34a_100000732646_102125554688 [0,1,0,1,0,0|1,0,0]=3 22450 B11R1.290 CN(CCO)CCCC1CO1 2230a_100000210263_100000733510 [0,1,0,1,0,0|2,0,0]=4 22451 B11R1.290 CN(CCO)CCCC1CO1 269982a_100000210263_100000733510 [0,1,0,1,0,0|2,0,0]=4 22452 B11R1.290 COCC(=O)CCCC1CO1 1458a_100000210968_100000733510 [0,1,0,1,0,0|1,0,1]=4 22453 B11R1.290 COCC(C)OCC[C@@H]1CO1 34a_100009820653_100000765312 [0,1,0,1,0,0|2,0,0]=4 22454 B11R1.290 COCC(C)SCCC1CO1 62a_100000732470_100000765312 [0,1,0,1,0,0|2,0,0]=4 22455 B11R1.290 COCC(C)SCCC1CO1 62a_100000765312_100000732470 [0,1,0,1,0,0|2,0,0]=4 22456 B11R1.290 COCC(N)COCC1CO1 34a_100000724102_102125554688 [0,1,0,1,0,0|2,0,0]=4 22457 B11R1.290 COCC(O)CNCC1CO1 2230a_100000756049_100011216344 [0,1,0,1,0,0|2,0,0]=4 22458 B11R1.290 COCC(O)CNCC1CO1 34a_100000756049_102125554688 [0,1,0,1,0,0|2,0,0]=4 22459 B11R1.290 COCC(O)COC[C@@H]1CO1 34a_100000757423_100011215053 [0,1,0,1,0,0|2,0,0]=4 22460 B11R1.290 COCC(O)CSCC1CO1 62a_100011215053_102125554688 [0,1,0,1,0,0|2,0,0]=4 22461 B11R1.290 COCC(O)CSCC1CO1 62a_102125554688_100011215053 [0,1,0,1,0,0|2,0,0]=4 22462 B11R1.290 COCC(O)CSC[C@@H]1CO1 62a_100000745022_100011215053 [0,1,0,1,0,0|2,0,0]=4 22463 B11R1.290 COCC(O)CSC[C@@H]1CO1 62a_100011215053_100000745022 [0,1,0,1,0,0|2,0,0]=4 22464 B11R1.290 COC[C@@H](C)NCCC1CO1 2230a_100000764878_100000732470 [0,1,0,1,0,0|2,0,0]=4 22465 B11R1.290 COC[C@@H](C)OCCC1CO1 34a_100011934205_100000732470 [0,1,0,1,0,0|2,0,0]=4 22466 B11R1.290 CSCC(=O)CCCC1CO1 1458a_100000184570_100000733510 [0,1,0,1,0,0|1,0,1]=4 22467 B11R1.290 C[C@H](CCO)NCCC1CC1 2230a_100000706166_100000694398 [0,1,0,1,0,0|1,0,0]=3 22468 B11R1.290 C[C@H](CCO)NCCC1CC1 34a_100000706166_100000694398 [0,1,0,1,0,0|1,0,0]=3 22469 B11R1.290 C[C@H](CCO)NCCC1CO1 2230a_100000706166_100000732470 [0,1,0,1,0,0|2,0,0]=4 22470 B11R1.290 C[C@H](CCO)NCCC1CO1 34a_100000706166_100000732470 [0,1,0,1,0,0|2,0,0]=4 22471 B11R1.290 O=C(CCO)CCCC1CO1 1458a_100011216618_100000733510 [0,1,0,1,0,0|1,0,1]=4 22472 B11R1.290 O=C(CCO)CSCC1CC1 1458a_200011316215_100000211926 [0,1,0,1,0,0|1,0,1]=4 22473 B11R1.290 O=C(CCO)NCCC1CC1 240690a_100000764129_100011216618 [0,1,0,1,0,0|1,0,1]=4 22474 B11R1.291 CCCC(C)CN1CCC1C 269982a_100000755817_100011216630 [0,1,0,1,0,0|2,0,0]=4 22475 B11R1.291 CCCC(C)CN1CCC1C 34a_100000755817_100011216630 [0,1,0,1,0,0|2,0,0]=4 22476 B11R1.356 CC(NCCCCF)C1CC1 2230a_100000700016_100000729493 [0,1,0,1,0,0|2,0,0]=4 22477 B11R1.356 CC(NCCCCF)C1CC1 34a_100000700016_100000729493 [0,1,0,1,0,0|2,0,0]=4 22478 B11R1.356 CC(NCCCCO)C1CC1 2230a_100000700016_100000210776 [0,1,0,1,0,0|1,0,0]=3 22479 B11R1.356 CC(NCCCCO)C1CC1 269862a_100000750430_100000210639 [0,1,0,1,0,0|1,0,0]=3 22480 B11R1.356 CC(NCCCCO)C1CC1 34a_100000700016_100011216708 [0,1,0,1,0,0|1,0,0]=3 22481 B11R1.356 CC(NCCCCO)C1CO1 270004a_100000750430_100000031964 [0,1,0,1,0,0|2,0,0]=4 22482 B11R1.356 CC(OCCCCF)C1CC1 34a_100000744524_100000729493 [0,1,0,1,0,0|2,0,0]=4 22483 B11R1.356 CC(OCCCCF)C1CC1 7a_100000744524_100000729493 [0,1,0,1,0,0|2,0,0]=4 22484 B11R1.356 CC(OCCCCO)C1CC1 34a_100000744524_100011216708 [0,1,0,1,0,0|1,0,0]=3 22485 B11R1.356 CC(OCCCCO)C1CC1 7a_100000744524_100000210776 [0,1,0,1,0,0|1,0,0]=3 22486 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [0,1,0,1,0,0|1,0,1]=4 22487 B11R1.356 CCCCCCC(=O)C1CO1 1458a_100000701028_100000210757 [0,1,0,1,0,0|0,0,1]=3 22488 B11R1.356 CCCCCCN(C)C1CC1 2230a_100000226674_100000210314 [0,1,0,1,0,0|2,0,0]=4 22489 B11R1.356 CCCCCCN(C)C1CC1 269982a_100000226674_100000210757 [0,1,0,1,0,0|2,0,0]=4 22490 B11R1.356 CCCCCCN(C)C1CC1 269982a_106256046315_100000211595 [0,1,0,1,0,0|2,0,0]=4 22491 B11R1.356 CCCCCNC(=O)C1CO1 11a_100000209983_100000701028 [0,1,0,1,0,0|1,0,1]=4 22492 B11R1.356 CCCCCNC(=O)C1CO1 1626a_100000209983_100000701028 [0,1,0,1,0,0|1,0,1]=4 22493 B11R1.356 CCCCCNC(=O)C1CO1 240690a_100000209983_100000701028 [0,1,0,1,0,0|1,0,1]=4 22494 B11R1.356 CCCCCNC(=O)C1CO1 527a_100000209983_100000701028 [0,1,0,1,0,0|1,0,1]=4 22495 B11R1.356 CCCCCNC(C)C1CC1 2230a_100000700016_100000210326 [0,1,0,1,0,0|2,0,0]=4 22496 B11R1.356 CCCCCNC(C)C1CC1 269862a_100000209983_100000210639 [0,1,0,1,0,0|2,0,0]=4 22497 B11R1.356 CCCCCNC(C)C1CC1 34a_100000700016_100000718602 [0,1,0,1,0,0|2,0,0]=4 22498 B11R1.356 CCCCCNC(C)C1CO1 270004a_100000209983_100000031964 [0,1,0,1,0,0|1,0,0]=3 22499 B11R1.356 CCCCCOC(C)C1CC1 34a_100000744524_100000718602 [0,1,0,1,0,0|2,0,0]=4 22500 B11R1.356 CCCCCOC(C)C1CC1 7a_100000744524_100000210326 [0,1,0,1,0,0|2,0,0]=4 22501 B11R1.356 CCCCNCC(O)C1CC1 2230a_100000751198_100000210211 [0,1,0,1,0,0|2,0,0]=4 22502 B11R1.356 CCCCNCC(O)C1CC1 34a_100000751198_100000210210 [0,1,0,1,0,0|2,0,0]=4 22503 B11R1.356 CCCCOCC(=O)C1CO1 1458a_100000701028_100011995733 [0,1,0,1,0,0|1,0,1]=4 22504 B11R1.356 CCCCOC[C@H](N)C1CC1 34a_100020623730_100000210210 [0,1,0,1,0,0|2,0,0]=4 22505 B11R1.356 CCCOCCC(=O)C1CO1 1458a_100000701028_100011215938 [0,1,0,1,0,0|1,0,1]=4 22506 B11R1.356 CCOCCCC(=O)C1CO1 1458a_100000701028_100012232248 [0,1,0,1,0,0|1,0,1]=4 22507 B11R1.356 CCOCCNC(C)C1CO1 270004a_102516460346_100000031964 [0,1,0,1,0,0|2,0,0]=4 22508 B11R1.356 CCSCCNC(C)C1CO1 270004a_100000106463_100000031964 [0,1,0,1,0,0|2,0,0]=4 22509 B11R1.356 CN(CCCCCF)C1CC1 2230a_100000226674_100000729378 [0,1,0,1,0,0|2,0,0]=4 22510 B11R1.356 CN(CCCCCF)C1CC1 269982a_100000226674_100000729378 [0,1,0,1,0,0|2,0,0]=4 22511 B11R1.356 CN(CCCCCO)C1CC1 2230a_100000226674_100000746330 [0,1,0,1,0,0|1,0,0]=3 22512 B11R1.356 CN(CCCCCO)C1CC1 269982a_100000226674_100000746330 [0,1,0,1,0,0|1,0,0]=3 22513 B11R1.356 CN(CCCCCO)C1CC1 269982a_100000722520_100000211595 [0,1,0,1,0,0|1,0,0]=3 22514 B11R1.356 CN(CCOCCO)C1CC1 2230a_100000226674_100011215305 [0,1,0,1,0,0|2,0,0]=4 22515 B11R1.356 CN(CCOCCO)C1CC1 269982a_100000226674_100011215305 [0,1,0,1,0,0|2,0,0]=4 22516 B11R1.356 CN(CCOCCO)C1CC1 269982a_100000228057_100000211595 [0,1,0,1,0,0|2,0,0]=4 22517 B11R1.356 COCCCCC(=O)C1CO1 1458a_100000701028_100000755781 [0,1,0,1,0,0|1,0,1]=4 22518 B11R1.356 COCCCNC(C)C1CO1 270004a_100150723488_100000031964 [0,1,0,1,0,0|2,0,0]=4 22519 B11R1.356 CSCCCNC(C)C1CO1 270004a_100000749238_100000031964 [0,1,0,1,0,0|2,0,0]=4 22520 B11R1.356 N[C@@H](COCCCF)C1CC1 34a_100020623730_100011934791 [0,1,0,1,0,0|2,0,0]=4 22521 B11R1.356 N[C@@H](COCCCO)C1CC1 34a_100020623730_100000230001 [0,1,0,1,0,0|1,0,0]=3 22522 B11R1.356 O=C(CCCCCF)C1CC1 1458a_100000210395_100000729378 [0,1,0,1,0,0|1,0,1]=4 22523 B11R1.356 O=C(CCCCCF)C1CO1 1458a_100000701028_100000729378 [0,1,0,1,0,0|1,0,1]=4 22524 B11R1.356 O=C(CCCCCO)C1CC1 1458a_100000210395_100000746330 [0,1,0,1,0,0|0,0,1]=3 22525 B11R1.356 O=C(CCCCCO)C1CO1 1458a_100000701028_100000746330 [0,1,0,1,0,0|1,0,1]=4 22526 B11R1.356 O=C(CCOCCO)C1CC1 1458a_100000210395_100011215305 [0,1,0,1,0,0|1,0,1]=4 22527 B11R1.356 O=C(COCCCO)C1CC1 34a_100000686663_100000230001 [0,1,0,1,0,0|1,0,1]=4 22528 B11R1.356 O=C(CSCCCO)C1CC1 62a_100000746382_100011215043 [0,1,0,1,0,0|1,0,1]=4 22529 B11R1.356 O=C(CSCCCO)C1CC1 62a_100011215043_100000746382 [0,1,0,1,0,0|1,0,1]=4 22530 B11R1.356 O=C(NCCCCO)C1CC1 240690a_100000750430_100000210395 [0,1,0,1,0,0|1,0,1]=4 22531 B11R1.356 O=C(NCCCCO)C1CC1 527a_100000750430_100000210395 [0,1,0,1,0,0|1,0,1]=4 22532 B11R1.356 OC(CNCCCF)C1CC1 2230a_100000751198_100011934791 [0,1,0,1,0,0|2,0,0]=4 22533 B11R1.356 OC(CNCCCF)C1CC1 34a_100000751198_100011934791 [0,1,0,1,0,0|2,0,0]=4 22534 B11R1.356 OCCCNCC(O)C1CC1 2230a_100000751198_100000230001 [0,1,0,1,0,0|1,0,0]=3 22535 B11R1.356 OCCCNCC(O)C1CC1 34a_100000751198_100000230001 [0,1,0,1,0,0|1,0,0]=3 22536 B11R1.779 CC1(CCCCCC1)NCF 34a_100000704638_100015361967 [0,1,0,1,0,0|2,0,0]=4 22537 B11R1.779 CC1(CCCCCC1)OCF 34a_100000708895_100015361967 [0,1,0,1,0,0|2,0,0]=4 22538 B11R1.779 CC1(CCCCCC1)OCF 7a_100000708895_100015361967 [0,1,0,1,0,0|2,0,0]=4 22539 B11R1.779 CCNC1(CCCCCC1)C 2230a_100000704638_100000210202 [0,1,0,1,0,0|2,0,0]=4 22540 B11R1.779 CCNC1(CCCCCC1)C 34a_100000704638_100000210202 [0,1,0,1,0,0|2,0,0]=4 22541 B11R1.779 CCOC1(CCCCCC1)C 34a_100000708895_100000210202 [0,1,0,1,0,0|2,0,0]=4 22542 B11R1.779 CCOC1(CCCCCC1)C 7a_100000708895_100000210202 [0,1,0,1,0,0|2,0,0]=4 22543 B11R1.899 CC1(CCC1)CNCCCF 2230a_100000706607_100011934791 [0,1,0,1,0,0|2,0,0]=4 22544 B11R1.899 CC1(CCC1)CNCCCF 2230a_100015189416_100000726658 [0,1,0,1,0,0|2,0,0]=4 22545 B11R1.899 CC1(CCC1)CNCCCF 34a_100015189416_100000726658 [0,1,0,1,0,0|2,0,0]=4 22546 B11R1.899 CC1(CCC1)CNCCCO 2230a_100000706607_100000230001 [0,1,0,1,0,0|1,0,0]=3 22547 B11R1.899 CC1(CCC1)COCCCBr 34a_100011217188_100000726658 [0,1,0,1,0,0|2,0,0]=4 22548 B11R1.899 CC1(CCC1)COCCCCl 34a_100000230001_100000726658 [0,1,0,1,0,0|2,0,0]=4 22549 B11R1.899 CC1(CCC1)COCCCF 34a_100000759539_100000726658 [0,1,0,1,0,0|2,0,0]=4 22550 B11R1.899 CC1(CCC1)COCCCN 34a_100000182051_100000726658 [0,1,0,1,0,0|2,0,0]=4 22551 B11R1.899 CC1(CCC1)CSCCCF 62a_100000726658_100011934791 [0,1,0,1,0,0|2,0,0]=4 22552 B11R1.899 CC1(CCC1)CSCCCF 62a_100011934791_100000726658 [0,1,0,1,0,0|2,0,0]=4 22553 B11R1.899 CC1(CCC1)CSCCCO 62a_100000726658_100011215043 [0,1,0,1,0,0|1,0,0]=3 22554 B11R1.899 CC1(CCC1)CSCCCO 62a_100011215043_100000726658 [0,1,0,1,0,0|1,0,0]=3 22555 B11R1.899 CC1(CCC1)NCCCCF 2230a_100000692455_100000729493 [0,1,0,1,0,0|2,0,0]=4 22556 B11R1.899 CC1(CCC1)NCCCCF 34a_100000692455_100000729493 [0,1,0,1,0,0|2,0,0]=4 22557 B11R1.899 CC1(CCC1)NCCCCO 2230a_100000692455_100000210776 [0,1,0,1,0,0|1,0,0]=3 22558 B11R1.899 CC1(CCC1)NCCCCO 34a_100000692455_100011216708 [0,1,0,1,0,0|1,0,0]=3 22559 B11R1.899 CC1(CCC1)OCCCCF 34a_100000759064_100000729493 [0,1,0,1,0,0|2,0,0]=4 22560 B11R1.899 CC1(CCC1)OCCCCF 7a_100000759064_100000729493 [0,1,0,1,0,0|2,0,0]=4 22561 B11R1.899 CC1(CCC1)OCCCCO 34a_100000759064_100011216708 [0,1,0,1,0,0|1,0,0]=3 22562 B11R1.899 CC1(CCC1)OCCCCO 7a_100000759064_100000210776 [0,1,0,1,0,0|1,0,0]=3 22563 B11R1.899 CC1(COC1)CNCCCO 2230a_100020631278_100000230001 [0,1,0,1,0,0|2,0,0]=4 22564 B11R1.899 CC1(COC1)CNCCCO 269862a_100000182051_100000050806 [0,1,0,1,0,0|2,0,0]=4 22565 B11R1.899 CC1(COC1)CSCCCO 62a_100009817586_100011215043 [0,1,0,1,0,0|2,0,0]=4 22566 B11R1.899 CC1(COC1)CSCCCO 62a_100011215043_100009817586 [0,1,0,1,0,0|2,0,0]=4 22567 B11R1.899 CC1(COC1)NCCCCO 2230a_100000732644_100000210776 [0,1,0,1,0,0|2,0,0]=4 22568 B11R1.899 CC1(CSC1)COCCCO 34a_100000732658_100000230001 [0,1,0,1,0,0|2,0,0]=4 22569 B11R1.899 CC1(CSC1)COCCCO 7a_100000732658_100011215043 [0,1,0,1,0,0|2,0,0]=4 22570 B11R1.899 CC1(CSC1)OCCCCO 7a_100016018533_100000210776 [0,1,0,1,0,0|2,0,0]=4 22571 B11R1.899 CCCCCNC1(CCC1)C 2230a_100000692455_100000210326 [0,1,0,1,0,0|2,0,0]=4 22572 B11R1.899 CCCCCNC1(CCC1)C 34a_100000692455_100000718602 [0,1,0,1,0,0|2,0,0]=4 22573 B11R1.899 CCCCCOC1(CCC1)C 34a_100000759064_100000718602 [0,1,0,1,0,0|2,0,0]=4 22574 B11R1.899 CCCCCOC1(CCC1)C 7a_100000759064_100000210326 [0,1,0,1,0,0|2,0,0]=4 22575 B11R1.899 CCCCNCC1(CCC1)C 2230a_100000102301_100000726658 [0,1,0,1,0,0|2,0,0]=4 22576 B11R1.899 CCCCNCC1(CCC1)C 2230a_100000706607_100000210211 [0,1,0,1,0,0|2,0,0]=4 22577 B11R1.899 CCCCNCC1(CCC1)C 7a_106832991798_100000726658 [0,1,0,1,0,0|2,0,0]=4 22578 B11R1.899 CCCCNCC1(CCC1)O 2230a_100000752638_100000210211 [0,1,0,1,0,0|2,0,0]=4 22579 B11R1.899 CCCCOCC1(CCC1)C 34a_100000210227_100000726658 [0,1,0,1,0,0|2,0,0]=4 22580 B11R1.899 CCCCOCC1(CCC1)C 7a_100000210227_100000726658 [0,1,0,1,0,0|2,0,0]=4 22581 B11R1.899 CCCCSCC1(CCC1)C 62a_100000210211_100000726658 [0,1,0,1,0,0|2,0,0]=4 22582 B11R1.899 CCCCSCC1(CCC1)C 62a_100000726658_100000210210 [0,1,0,1,0,0|2,0,0]=4 22583 B11R1.899 OC1(CCC1)CNCCCF 2230a_100000752638_100011934791 [0,1,0,1,0,0|2,0,0]=4 22584 B11R1.899 OCCCNCC1(CCC1)O 2230a_100000752638_100000230001 [0,1,0,1,0,0|1,0,0]=3 22585 B11R1.899 OCCCNCC1(COC1)O 2230a_100010264505_100000230001 [0,1,0,1,0,0|2,0,0]=4 22586 B11R1.27 CC1CCC(C1)NCCCF 270004a_100015189416_100011215218 [0,1,0,1,0,0|2,0,0]=4 22587 B11R1.27 CC1CCC(C1)NCCCO 270004a_100000182051_100011215218 [0,1,0,1,0,0|1,0,0]=3 22588 B11R1.27 CC1CCC(C1)OCCCF 34a_100000698185_100011934791 [0,1,0,1,0,0|2,0,0]=4 22589 B11R1.27 CC1CCC(C1)OCCCO 34a_100000698185_100000230001 [0,1,0,1,0,0|1,0,0]=3 22590 B11R1.27 CCCCCN1CCC(C1)O 2230a_100011215560_100000210326 [0,1,0,1,0,0|1,0,0]=3 22591 B11R1.27 CCCCCN1CCC(C1)O 269982a_100011215560_100000210215 [0,1,0,1,0,0|1,0,0]=3 22592 B11R1.27 CCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210326 [0,1,0,1,0,0|2,0,0]=4 22593 B11R1.27 CCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210215 [0,1,0,1,0,0|2,0,0]=4 22594 B11R1.27 CCCCCN1CC[C@@H](C1)F 34a_100015203821_100000718602 [0,1,0,1,0,0|2,0,0]=4 22595 B11R1.27 CCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210326 [0,1,0,1,0,0|2,0,0]=4 22596 B11R1.27 CCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210215 [0,1,0,1,0,0|2,0,0]=4 22597 B11R1.27 CCCCCN1CC[C@H](C1)C 34a_100016987628_100000718602 [0,1,0,1,0,0|2,0,0]=4 22598 B11R1.27 CCCCNC1CCC(C1)C 270004a_100000102301_100011215218 [0,1,0,1,0,0|2,0,0]=4 22599 B11R1.27 CCCCNC1CCC(C1)O 270004a_100000102301_100012614533 [0,1,0,1,0,0|1,0,0]=3 22600 B11R1.27 CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210211 [0,1,0,1,0,0|1,0,0]=3 22601 B11R1.27 CCCCOC1CCC(C1)C 34a_100000698185_100000210210 [0,1,0,1,0,0|2,0,0]=4 22602 B11R1.27 CCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210303 [0,1,0,1,0,0|2,0,0]=4 22603 B11R1.27 CCOCCN1CCC(C1)O 2230a_100011215560_100011215890 [0,1,0,1,0,0|2,0,0]=4 22604 B11R1.27 CCOCCN1CCC(C1)O 269982a_100011215560_100011215890 [0,1,0,1,0,0|2,0,0]=4 22605 B11R1.27 CCSCCN1CCC(C1)O 2230a_100011215560_100000757381 [0,1,0,1,0,0|2,0,0]=4 22606 B11R1.27 CCSCCN1CCC(C1)O 269982a_100011215560_100000757381 [0,1,0,1,0,0|2,0,0]=4 22607 B11R1.27 CN1CCC(C1)CNCCO 34a_100016990907_200000690779 [0,1,0,1,0,0|2,0,0]=4 22608 B11R1.27 CN1CCC(C1)CSCCO 62a_100000211926_200000690779 [0,1,0,1,0,0|2,0,0]=4 22609 B11R1.27 CN1CCC(C1)CSCCO 62a_200000690779_100000211926 [0,1,0,1,0,0|2,0,0]=4 22610 B11R1.27 CN1CCC(C1)SCCCO 62a_100011215043_200012183744 [0,1,0,1,0,0|2,0,0]=4 22611 B11R1.27 COCCCN1CCC(C1)O 2230a_100011215560_100000740836 [0,1,0,1,0,0|2,0,0]=4 22612 B11R1.27 COCCCN1CCC(C1)O 269982a_100011215560_100000740836 [0,1,0,1,0,0|2,0,0]=4 22613 B11R1.27 COCCNC1CCC(C1)O 270004a_100000209980_100012614533 [0,1,0,1,0,0|2,0,0]=4 22614 B11R1.27 COCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011201679 [0,1,0,1,0,0|2,0,0]=4 22615 B11R1.27 CSCCNC1CCC(C1)O 270004a_100020590264_100012614533 [0,1,0,1,0,0|2,0,0]=4 22616 B11R1.27 CSCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000751147 [0,1,0,1,0,0|2,0,0]=4 22617 B11R1.27 C[C@@H]1CCN(C1)CCCCF 2230a_100016987628_100000729493 [0,1,0,1,0,0|2,0,0]=4 22618 B11R1.27 C[C@@H]1CCN(C1)CCCCF 269982a_100016987628_100000729493 [0,1,0,1,0,0|2,0,0]=4 22619 B11R1.27 C[C@@H]1CCN(C1)CCCCF 34a_100016987628_100000729493 [0,1,0,1,0,0|2,0,0]=4 22620 B11R1.27 C[C@@H]1CCN(C1)CCCCO 2230a_100016987628_100000210776 [0,1,0,1,0,0|1,0,0]=3 22621 B11R1.27 C[C@@H]1CCN(C1)CCCCO 269982a_100016987628_100000210776 [0,1,0,1,0,0|1,0,0]=3 22622 B11R1.27 C[C@@H]1CCN(C1)CCCCO 34a_100016987628_100011216708 [0,1,0,1,0,0|1,0,0]=3 22623 B11R1.27 FCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000729493 [0,1,0,1,0,0|2,0,0]=4 22624 B11R1.27 FCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000729493 [0,1,0,1,0,0|2,0,0]=4 22625 B11R1.27 FCCCCN1CC[C@@H](C1)F 34a_100015203821_100000729493 [0,1,0,1,0,0|2,0,0]=4 22626 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [0,1,0,1,0,0|1,0,1]=4 22627 B11R1.27 OC1CCC(C1)NCCCF 270004a_100015189416_100012614533 [0,1,0,1,0,0|2,0,0]=4 22628 B11R1.27 OC1CCN(C1)CCCCF 2230a_100011215560_100000729493 [0,1,0,1,0,0|2,0,0]=4 22629 B11R1.27 OC1CCN(C1)CCCCF 269982a_100011215560_100000729493 [0,1,0,1,0,0|2,0,0]=4 22630 B11R1.27 OCCCCN1CCC(C1)O 2230a_100011215560_100000210776 [0,1,0,1,0,0|1,0,0]=3 22631 B11R1.27 OCCCCN1CCC(C1)O 269982a_100011215560_100000210776 [0,1,0,1,0,0|1,0,0]=3 22632 B11R1.27 OCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210776 [0,1,0,1,0,0|1,0,0]=3 22633 B11R1.27 OCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210776 [0,1,0,1,0,0|1,0,0]=3 22634 B11R1.27 OCCCCN1CC[C@@H](C1)F 34a_100015203821_100011216708 [0,1,0,1,0,0|1,0,0]=3 22635 B11R1.27 OCCCNC1CCC(C1)O 270004a_100000182051_100012614533 [0,1,0,1,0,0|1,0,0]=3 22636 B11R1.27 OCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000230001 [0,1,0,1,0,0|1,0,0]=3 22637 B11R1.27 OCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000211926 [0,1,0,1,0,0|2,0,0]=4 22638 B11R1.27 O[C@@H]1CC[C@@H](C1)NCCCF 2230a_100015195300_100011934791 [0,1,0,1,0,0|2,0,0]=4 22639 B11R1.46 C#CCCCOCC1CC1C 34a_100000744939_100000695029 [0,1,0,1,0,0|1,0,1]=4 22640 B11R1.46 C#CCCCOCC1CC1C 7a_100000744939_100011215417 [0,1,0,1,0,0|1,0,1]=4 22641 B11R1.46 C=CCCCOCC1CC1C 34a_100000744939_100000757094 [0,1,0,1,0,0|1,0,1]=4 22642 B11R1.46 C=CCCCOCC1CC1C 7a_100000744939_100000757094 [0,1,0,1,0,0|1,0,1]=4 22643 B11R1.46 CC1CC1COCC#CCO 34a_100000744939_200000047223 [0,1,0,1,0,0|0,0,2]=4 22644 B11R1.46 CC1CC1COCC#CCO 7a_100000744939_200000047223 [0,1,0,1,0,0|0,0,2]=4 22645 B11R1.46 CC1CC1COCCCC#N 7a_100000744939_100000687738 [0,1,0,1,0,0|1,0,1]=4 22646 B11R1.46 CC1CC1COCCCC=O 7a_100000744939_200011292268 [0,1,0,1,0,0|0,0,2]=4 22647 B11R1.46 CC1CC1COCCCCF 34a_100000744939_100000729493 [0,1,0,1,0,0|1,0,0]=3 22648 B11R1.46 CC1CC1COCCCCF 7a_100000744939_100000729493 [0,1,0,1,0,0|1,0,0]=3 22649 B11R1.46 CC1CC1COCCCCO 34a_100000744939_100011216708 [0,1,0,1,0,0|0,0,0]=2 22650 B11R1.46 CC1CC1COCCCCO 7a_100000744939_100000210776 [0,1,0,1,0,0|0,0,0]=2 22651 B11R1.46 CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210314 [0,1,0,1,0,0|1,0,0]=3 22652 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210314 [0,1,0,1,0,0|1,0,0]=3 22653 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210314 [0,1,0,1,0,0|1,0,0]=3 22654 B11R1.46 CCCCCOCC1CC1C 34a_100000744939_100000718602 [0,1,0,1,0,0|1,0,0]=3 22655 B11R1.46 CCCCCOCC1CC1C 7a_100000744939_100000210326 [0,1,0,1,0,0|1,0,0]=3 22656 B11R1.46 CCCCOCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011995733 [0,1,0,1,0,0|2,0,0]=4 22657 B11R1.46 CCCCOCN[C@@H]1C[C@H]1F 2230a_100025746932_100011995733 [0,1,0,1,0,0|2,0,0]=4 22658 B11R1.46 CCCCOCN[C@@H]1C[C@H]1F 34a_100025746932_100011995733 [0,1,0,1,0,0|2,0,0]=4 22659 B11R1.46 CCCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215938 [0,1,0,1,0,0|2,0,0]=4 22660 B11R1.46 CCCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215938 [0,1,0,1,0,0|2,0,0]=4 22661 B11R1.46 CCCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100011215938 [0,1,0,1,0,0|2,0,0]=4 22662 B11R1.46 CCOCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100012232248 [0,1,0,1,0,0|2,0,0]=4 22663 B11R1.46 CCOCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100012232248 [0,1,0,1,0,0|2,0,0]=4 22664 B11R1.46 CCOCCCN[C@@H]1C[C@H]1F 34a_100025746932_100012232248 [0,1,0,1,0,0|2,0,0]=4 22665 B11R1.46 CCOCCOCC1CC1C 34a_100000744939_100000210147 [0,1,0,1,0,0|2,0,0]=4 22666 B11R1.46 CCOCCOCC1CC1C 7a_100000744939_100011215890 [0,1,0,1,0,0|2,0,0]=4 22667 B11R1.46 CCSCCOCC1CC1C 34a_100000744939_100000757381 [0,1,0,1,0,0|2,0,0]=4 22668 B11R1.46 CCSCCOCC1CC1C 7a_100000744939_100000757381 [0,1,0,1,0,0|2,0,0]=4 22669 B11R1.46 COCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000730899 [0,1,0,1,0,0|2,0,0]=4 22670 B11R1.46 COCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000730899 [0,1,0,1,0,0|2,0,0]=4 22671 B11R1.46 COCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000755781 [0,1,0,1,0,0|2,0,0]=4 22672 B11R1.46 COCCCOCC1CC1C 34a_100000744939_100000740836 [0,1,0,1,0,0|1,0,0]=3 22673 B11R1.46 COCCCOCC1CC1C 7a_100000744939_100000740836 [0,1,0,1,0,0|1,0,0]=3 22674 B11R1.46 FCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000729378 [0,1,0,1,0,0|2,0,0]=4 22675 B11R1.46 FCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000729378 [0,1,0,1,0,0|2,0,0]=4 22676 B11R1.46 FCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000729378 [0,1,0,1,0,0|2,0,0]=4 22677 B11R1.46 OCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000746330 [0,1,0,1,0,0|1,0,0]=3 22678 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000746330 [0,1,0,1,0,0|1,0,0]=3 22679 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000746330 [0,1,0,1,0,0|1,0,0]=3 22680 B11R1.46 OCCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215305 [0,1,0,1,0,0|2,0,0]=4 22681 B11R1.46 OCCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215305 [0,1,0,1,0,0|2,0,0]=4 22682 B11R1.46 OCCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100000692535 [0,1,0,1,0,0|2,0,0]=4 22683 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [0,1,0,1,0,0|1,0,1]=4 22684 B11R1.53 CC(C)C1CCCCC1O[13CH3] 34a_100011709184_200025704644 [0,1,0,1,0,0|2,0,0]=4 22685 B11R1.53 CC(C)C1CCCCC1O[13CH3] 7a_100011709184_200025704644 [0,1,0,1,0,0|2,0,0]=4 22686 B11R1.53 CC(C)C1CCCCN1CF 269982a_100000757267_100015361967 [0,1,0,1,0,0|2,0,0]=4 22687 B11R1.53 CC(C)C1CCCCN1CF 34a_100000757267_100015361967 [0,1,0,1,0,0|2,0,0]=4 22688 B11R1.53 CC(C)N1CCCCC1CO 2230a_100000210821_100000210206 [0,1,0,1,0,0|1,0,0]=3 22689 B11R1.53 CC(C)N1CCCCC1CO 269982a_100000210821_100000210206 [0,1,0,1,0,0|1,0,0]=3 22690 B11R1.53 CC(C)N1CCCCC1CO 34a_100000210821_100000210206 [0,1,0,1,0,0|1,0,0]=3 22691 B11R1.53 CC(C)N1CCOC[C@H]1CO 2230a_100000717676_100000210206 [0,1,0,1,0,0|2,0,0]=4 22692 B11R1.53 CC(C)N1CCOC[C@H]1CO 269982a_100000717676_100000210206 [0,1,0,1,0,0|2,0,0]=4 22693 B11R1.53 CC(C)N1CCOC[C@H]1CO 34a_100000717676_100000210206 [0,1,0,1,0,0|2,0,0]=4 22694 B11R1.53 CCC1CCCCC1N(C)C 270004a_100102631434_100000757040 [0,1,0,1,0,0|2,0,0]=4 22695 B11R1.53 CCC1CCCCN1C(C)C 2230a_100000210034_100000210206 [0,1,0,1,0,0|2,0,0]=4 22696 B11R1.53 CCC1CCCCN1C(C)C 269982a_100000210034_100000210206 [0,1,0,1,0,0|2,0,0]=4 22697 B11R1.53 CCC1CCCCN1C(C)C 34a_100000210034_100000210206 [0,1,0,1,0,0|2,0,0]=4 22698 B11R1.53 CCN1CCCCC1C(C)C 2230a_100000757267_100000210202 [0,1,0,1,0,0|2,0,0]=4 22699 B11R1.53 CCN1CCCCC1C(C)C 269982a_100000757267_100000204670 [0,1,0,1,0,0|2,0,0]=4 22700 B11R1.53 CCN1CCCCC1C(C)C 34a_100000757267_100000210202 [0,1,0,1,0,0|2,0,0]=4 22701 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,1,0,1,0,0|1,0,1]=4 22702 B11R1.53 CN(C)C1CCCCC1CO 270004a_100102631434_100009861125 [0,1,0,1,0,0|1,0,0]=3 22703 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,1,0,1,0,0|1,0,1]=4 22704 B11R1.53 COC1CCCCC1C(C)C 34a_100011709184_200000210301 [0,1,0,1,0,0|2,0,0]=4 22705 B11R1.53 COC1CCCCC1C(C)C 7a_100011709184_200000210301 [0,1,0,1,0,0|2,0,0]=4 22706 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,1,0,1,0,0|1,0,1]=4 22707 B11R1.57 C=C(C)CN1CCC[C@@H]1CO 2230a_100000745186_100000748629 [0,1,0,1,0,0|1,0,1]=4 22708 B11R1.57 C=C(C)CN1CCC[C@@H]1CO 269982a_100000745186_100000748629 [0,1,0,1,0,0|1,0,1]=4 22709 B11R1.57 C=C(C)CN1CCC[C@@H]1CO 34a_100000745186_100000748629 [0,1,0,1,0,0|1,0,1]=4 22710 B11R1.57 CC(C)CC1CCCN1CF 269982a_100000748429_100015361967 [0,1,0,1,0,0|2,0,0]=4 22711 B11R1.57 CC(C)CC1CCCN1CF 34a_100000748429_100015361967 [0,1,0,1,0,0|2,0,0]=4 22712 B11R1.57 CC(C)CN1CCC[C@@H]1CO 2230a_100000745186_100000210760 [0,1,0,1,0,0|1,0,0]=3 22713 B11R1.57 CC(C)CN1CCC[C@@H]1CO 269982a_100000745186_100000210624 [0,1,0,1,0,0|1,0,0]=3 22714 B11R1.57 CC(C)CN1CCC[C@@H]1CO 270004a_100000745186_100000210432 [0,1,0,1,0,0|1,0,0]=3 22715 B11R1.57 CC(C)CN1CCC[C@@H]1CO 34a_100000745186_100000210624 [0,1,0,1,0,0|1,0,0]=3 22716 B11R1.57 CC(O)CN1CCC[C@@H]1CO 2230a_100000745186_100011218427 [0,1,0,1,0,0|1,0,0]=3 22717 B11R1.57 CC(O)CN1CCC[C@@H]1CO 269982a_100000745186_100011218427 [0,1,0,1,0,0|1,0,0]=3 22718 B11R1.57 CC(O)CN1CCC[C@@H]1CO 34a_100000745186_100011218427 [0,1,0,1,0,0|1,0,0]=3 22719 B11R1.57 CCC1CCCN1CC(C)C 2230a_100000754278_100000210760 [0,1,0,1,0,0|2,0,0]=4 22720 B11R1.57 CCC1CCCN1CC(C)C 269982a_100000754278_100000210624 [0,1,0,1,0,0|2,0,0]=4 22721 B11R1.57 CCC1CCCN1CC(C)C 270004a_100000754278_100000210432 [0,1,0,1,0,0|2,0,0]=4 22722 B11R1.57 CCC1CCCN1CC(C)C 34a_100000754278_100000210624 [0,1,0,1,0,0|2,0,0]=4 22723 B11R1.57 CCC1CCCN1CC(C)O 2230a_100000754278_100011218427 [0,1,0,1,0,0|1,0,0]=3 22724 B11R1.57 CCC1CCCN1CC(C)O 269982a_100000754278_100011218427 [0,1,0,1,0,0|1,0,0]=3 22725 B11R1.57 CCC1CCCN1CC(C)O 34a_100000754278_100011218427 [0,1,0,1,0,0|1,0,0]=3 22726 B11R1.57 CCC1CCCN1CC(F)F 2230a_100000754278_100011934356 [0,1,0,1,0,0|2,0,0]=4 22727 B11R1.57 CCC1CCCN1CC(F)F 269982a_100000754278_100011934356 [0,1,0,1,0,0|2,0,0]=4 22728 B11R1.57 CCC1CCCN1CC(F)F 34a_100000754278_100011934356 [0,1,0,1,0,0|2,0,0]=4 22729 B11R1.57 CCC1CCCN1C[C@@H](C)O 2230a_100000754278_100009817552 [0,1,0,1,0,0|1,0,0]=3 22730 B11R1.57 CCC1CCCN1C[C@@H](C)O 269982a_100000754278_100009817552 [0,1,0,1,0,0|1,0,0]=3 22731 B11R1.57 CCC1CCCN1C[C@@H](C)O 34a_100000754278_100009817552 [0,1,0,1,0,0|1,0,0]=3 22732 B11R1.57 CCN1CCCC1CC(C)C 2230a_100000748429_100000210202 [0,1,0,1,0,0|2,0,0]=4 22733 B11R1.57 CCN1CCCC1CC(C)C 269982a_100000748429_100000204670 [0,1,0,1,0,0|2,0,0]=4 22734 B11R1.57 CCN1CCCC1CC(C)C 34a_100000748429_100000210202 [0,1,0,1,0,0|2,0,0]=4 22735 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 2230a_100000745186_100009817552 [0,1,0,1,0,0|1,0,0]=3 22736 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 269982a_100000745186_100009817552 [0,1,0,1,0,0|1,0,0]=3 22737 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 34a_100000745186_100009817552 [0,1,0,1,0,0|1,0,0]=3 22738 B11R1.57 OC[C@H]1CCCN1CC(F)F 2230a_100000745186_100011934356 [0,1,0,1,0,0|2,0,0]=4 22739 B11R1.57 OC[C@H]1CCCN1CC(F)F 269982a_100000745186_100011934356 [0,1,0,1,0,0|2,0,0]=4 22740 B11R1.57 OC[C@H]1CCCN1CC(F)F 34a_100000745186_100011934356 [0,1,0,1,0,0|2,0,0]=4 22741 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,1,0,1,0,0|1,0,1]=4 22742 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,1,0,1,0,0|1,0,1]=4 22743 B11R1.86 CC(C)CN1CCCCC1C 2230a_100000211376_100000210760 [0,1,0,1,0,0|2,0,0]=4 22744 B11R1.86 CC(C)CN1CCCCC1C 269982a_100000211376_100000210624 [0,1,0,1,0,0|2,0,0]=4 22745 B11R1.86 CC(C)CN1CCCCC1C 270004a_100000211376_100000210432 [0,1,0,1,0,0|2,0,0]=4 22746 B11R1.86 CC(C)CN1CCCCC1C 34a_100000211376_100000210624 [0,1,0,1,0,0|2,0,0]=4 22747 B11R1.86 CC(C)NC1CCCCC1C 2230a_100000211402_100000210206 [0,1,0,1,0,0|2,0,0]=4 22748 B11R1.86 CC(C)NC1CCCCC1C 34a_100000211402_100000210206 [0,1,0,1,0,0|2,0,0]=4 22749 B11R1.86 CC(C)NC1CCCCC1F 34a_100138425928_100015423560 [0,1,0,1,0,0|2,0,0]=4 22750 B11R1.86 CC(C)NC1CCCCC1O 34a_100138425928_100000038908 [0,1,0,1,0,0|1,0,0]=3 22751 B11R1.86 CC(C)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210206 [0,1,0,1,0,0|2,0,0]=4 22752 B11R1.86 CC(C)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210206 [0,1,0,1,0,0|2,0,0]=4 22753 B11R1.86 CC(C)N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210206 [0,1,0,1,0,0|2,0,0]=4 22754 B11R1.86 CC(C)N[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210206 [0,1,0,1,0,0|2,0,0]=4 22755 B11R1.86 CC(C)OC1CCCCC1C 34a_100000211207_100000210206 [0,1,0,1,0,0|2,0,0]=4 22756 B11R1.86 CC(C)OC1CCCCC1C 7a_100000211207_100000210206 [0,1,0,1,0,0|2,0,0]=4 22757 B11R1.86 CC(C)OC1CCCCC1Cl 34a_100000038908_100000210206 [0,1,0,1,0,0|2,0,0]=4 22758 B11R1.86 CC(C)OC1CCCCC1Cl 7a_100000038908_100000210206 [0,1,0,1,0,0|2,0,0]=4 22759 B11R1.86 CC(C)OC1CCCCC1F 34a_100000212225_100015423560 [0,1,0,1,0,0|2,0,0]=4 22760 B11R1.86 CC(C)OC1CCCCC1O 34a_100000212225_100000038908 [0,1,0,1,0,0|1,0,0]=3 22761 B11R1.86 CC(C)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210206 [0,1,0,1,0,0|2,0,0]=4 22762 B11R1.86 CC(C)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210206 [0,1,0,1,0,0|2,0,0]=4 22763 B11R1.86 CC(C)O[C@H]1CCCC[C@H]1N 34a_100015191688_100000210206 [0,1,0,1,0,0|2,0,0]=4 22764 B11R1.86 CC(C)SC1CCCCC1F 62a_100000210206_100015423560 [0,1,0,1,0,0|2,0,0]=4 22765 B11R1.86 CC(C)SC1CCCCC1F 62a_100015423560_100000210206 [0,1,0,1,0,0|2,0,0]=4 22766 B11R1.86 CC(C)SC1CCCCC1O 62a_100000038908_100000210206 [0,1,0,1,0,0|1,0,0]=3 22767 B11R1.86 CC(C)SC1CCCCC1O 62a_100000210206_100000038908 [0,1,0,1,0,0|1,0,0]=3 22768 B11R1.86 CC(O)CN1CCCCC1C 2230a_100000211376_100011218427 [0,1,0,1,0,0|1,0,0]=3 22769 B11R1.86 CC(O)CN1CCCCC1C 269982a_100000211376_100011218427 [0,1,0,1,0,0|1,0,0]=3 22770 B11R1.86 CC(O)CN1CCCCC1C 34a_100000211376_100011218427 [0,1,0,1,0,0|1,0,0]=3 22771 B11R1.86 CC(O)CN1CCOC[C@@H]1C 2230a_100009815349_100011218427 [0,1,0,1,0,0|2,0,0]=4 22772 B11R1.86 CC(O)CN1CCOC[C@@H]1C 269982a_100009815349_100011218427 [0,1,0,1,0,0|2,0,0]=4 22773 B11R1.86 CC(O)CN1CCOC[C@@H]1C 34a_100009815349_100011218427 [0,1,0,1,0,0|2,0,0]=4 22774 B11R1.86 CC1CCCCN1CC(F)F 2230a_100000211376_100011934356 [0,1,0,1,0,0|2,0,0]=4 22775 B11R1.86 CC1CCCCN1CC(F)F 269982a_100000211376_100011934356 [0,1,0,1,0,0|2,0,0]=4 22776 B11R1.86 CC1CCCCN1CC(F)F 34a_100000211376_100011934356 [0,1,0,1,0,0|2,0,0]=4 22777 B11R1.86 CC1CCCCN1C[C@@H](C)O 2230a_100000211376_100009817552 [0,1,0,1,0,0|1,0,0]=3 22778 B11R1.86 CC1CCCCN1C[C@@H](C)O 269982a_100000211376_100009817552 [0,1,0,1,0,0|1,0,0]=3 22779 B11R1.86 CC1CCCCN1C[C@@H](C)O 34a_100000211376_100009817552 [0,1,0,1,0,0|1,0,0]=3 22780 B11R1.86 C[C@@H](O)CN1CCOC[C@@H]1C 2230a_100009815349_100009817552 [0,1,0,1,0,0|2,0,0]=4 22781 B11R1.86 C[C@@H](O)CN1CCOC[C@@H]1C 269982a_100009815349_100009817552 [0,1,0,1,0,0|2,0,0]=4 22782 B11R1.86 C[C@@H](O)CN1CCOC[C@@H]1C 34a_100009815349_100009817552 [0,1,0,1,0,0|2,0,0]=4 22783 B11R1.90 C=C(C)CS[C@@H]1CCC[C@H]1O 62a_100000748629_200016002552 [0,1,0,1,0,0|1,0,1]=4 22784 B11R1.90 C=C(C)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000211660 [0,1,0,1,0,0|1,0,1]=4 22785 B11R1.90 CC(Br)COC1COCC1O 34a_100012180447_200000725654 [0,1,0,1,0,0|2,0,0]=4 22786 B11R1.90 CC(C)CCN1CCC[C@@H]1C 2230a_100020605311_100000210312 [0,1,0,1,0,0|2,0,0]=4 22787 B11R1.90 CC(C)CCN1CCC[C@@H]1C 269982a_100020605311_100000210312 [0,1,0,1,0,0|2,0,0]=4 22788 B11R1.90 CC(C)CCN1CCC[C@H]1C 2230a_100015189458_100000210312 [0,1,0,1,0,0|2,0,0]=4 22789 B11R1.90 CC(C)CCN1CCC[C@H]1C 269982a_100015189458_100000210312 [0,1,0,1,0,0|2,0,0]=4 22790 B11R1.90 CC(C)CCN1CCC[C@H]1C 34a_100015189458_100000210312 [0,1,0,1,0,0|2,0,0]=4 22791 B11R1.90 CC(C)CNC1CCCC1C 269862a_100000210953_100000752053 [0,1,0,1,0,0|2,0,0]=4 22792 B11R1.90 CC(C)CNC1COCC1O 34a_100000210953_200000725654 [0,1,0,1,0,0|2,0,0]=4 22793 B11R1.90 CC(C)CN[C@H]1CCC[C@@H]1O 270004a_100000748460_100000210432 [0,1,0,1,0,0|1,0,0]=3 22794 B11R1.90 CC(C)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210760 [0,1,0,1,0,0|2,0,0]=4 22795 B11R1.90 CC(C)CN[C@H]1COC[C@@H]1O 270004a_100015191717_100000210432 [0,1,0,1,0,0|2,0,0]=4 22796 B11R1.90 CC(C)COC1CCCC1C 34a_100011216460_100000210624 [0,1,0,1,0,0|2,0,0]=4 22797 B11R1.90 CC(C)COC1CCCC1C 7a_100011216460_100000210760 [0,1,0,1,0,0|2,0,0]=4 22798 B11R1.90 CC(C)COC1COCC1O 34a_100000210257_200000725654 [0,1,0,1,0,0|2,0,0]=4 22799 B11R1.90 CC(C)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210624 [0,1,0,1,0,0|2,0,0]=4 22800 B11R1.90 CC(C)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210624 [0,1,0,1,0,0|2,0,0]=4 22801 B11R1.90 CC(C)CSC1COCC1O 62a_100000210624_200000725654 [0,1,0,1,0,0|2,0,0]=4 22802 B11R1.90 CC(C)CSC1COCC1O 62a_200000725654_100000210760 [0,1,0,1,0,0|2,0,0]=4 22803 B11R1.90 CC(C)CS[C@@H]1CCC[C@H]1O 62a_100000210624_200016002552 [0,1,0,1,0,0|1,0,0]=3 22804 B11R1.90 CC(C)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210760 [0,1,0,1,0,0|1,0,0]=3 22805 B11R1.90 CC(F)COC1COCC1O 34a_100015925927_200000725654 [0,1,0,1,0,0|2,0,0]=4 22806 B11R1.90 CC(O)CCN1CCC[C@@H]1C 2230a_100020605311_100012276601 [0,1,0,1,0,0|1,0,0]=3 22807 B11R1.90 CC(O)CCN1CCC[C@@H]1C 269982a_100020605311_100012276601 [0,1,0,1,0,0|1,0,0]=3 22808 B11R1.90 CC(O)CCN1CCC[C@H]1C 2230a_100015189458_100012276601 [0,1,0,1,0,0|1,0,0]=3 22809 B11R1.90 CC(O)CCN1CCC[C@H]1C 269982a_100015189458_100012276601 [0,1,0,1,0,0|1,0,0]=3 22810 B11R1.90 CC(O)CCN1CCC[C@H]1C 34a_100015189458_100012276601 [0,1,0,1,0,0|1,0,0]=3 22811 B11R1.90 CC(O)CCN1CCSC1C 2230a_200011216479_100012276601 [0,1,0,1,0,0|2,0,0]=4 22812 B11R1.90 CC(O)CCN1CCSC1C 269982a_200011216479_100012276601 [0,1,0,1,0,0|2,0,0]=4 22813 B11R1.90 CC(O)CCN1CCSC1C 34a_200011216479_100012276601 [0,1,0,1,0,0|2,0,0]=4 22814 B11R1.90 CC(O)CNC1CCCC1C 269862a_100000210904_100000752053 [0,1,0,1,0,0|1,0,0]=3 22815 B11R1.90 CC(O)CNC1CCOC1C 270004a_100000210904_100000691750 [0,1,0,1,0,0|2,0,0]=4 22816 B11R1.90 CC(O)CNC1COCC1O 34a_100000210904_200000725654 [0,1,0,1,0,0|2,0,0]=4 22817 B11R1.90 CC(O)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100011218427 [0,1,0,1,0,0|2,0,0]=4 22818 B11R1.90 CC(O)COC1CCCC1C 34a_100011216460_100011218427 [0,1,0,1,0,0|1,0,0]=3 22819 B11R1.90 CC(O)COC1CCCC1C 7a_100011216460_100011218427 [0,1,0,1,0,0|1,0,0]=3 22820 B11R1.90 CC(O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011218427 [0,1,0,1,0,0|2,0,0]=4 22821 B11R1.90 CC(O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100011218427 [0,1,0,1,0,0|2,0,0]=4 22822 B11R1.90 CC(O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100011218427 [0,1,0,1,0,0|2,0,0]=4 22823 B11R1.90 CC(O)CSC1COCC1O 62a_100011218427_200000725654 [0,1,0,1,0,0|2,0,0]=4 22824 B11R1.90 CC(O)CSC1COCC1O 62a_200000725654_100011218427 [0,1,0,1,0,0|2,0,0]=4 22825 B11R1.90 CC(O)CS[C@@H]1CCC[C@H]1O 62a_100011218427_200016002552 [0,1,0,1,0,0|1,0,0]=3 22826 B11R1.90 CC(O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100011218427 [0,1,0,1,0,0|1,0,0]=3 22827 B11R1.90 CC1CCCC1OCC(F)F 34a_100011216460_100011934356 [0,1,0,1,0,0|2,0,0]=4 22828 B11R1.90 CC1CCCC1OCC(F)F 7a_100011216460_100011934356 [0,1,0,1,0,0|2,0,0]=4 22829 B11R1.90 CC1CCCC1OC[C@@H](C)O 34a_100011216460_100009817552 [0,1,0,1,0,0|1,0,0]=3 22830 B11R1.90 CC1CCCC1OC[C@@H](C)O 7a_100011216460_100009817552 [0,1,0,1,0,0|1,0,0]=3 22831 B11R1.90 C[C@@H](Cl)COC1COCC1O 34a_100016084084_200000725654 [0,1,0,1,0,0|2,0,0]=4 22832 B11R1.90 C[C@@H](N)COC1COCC1O 34a_100000737577_200000725654 [0,1,0,1,0,0|2,0,0]=4 22833 B11R1.90 C[C@@H](O)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100009817552 [0,1,0,1,0,0|2,0,0]=4 22834 B11R1.90 C[C@@H](O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009817552 [0,1,0,1,0,0|2,0,0]=4 22835 B11R1.90 C[C@@H](O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817552 [0,1,0,1,0,0|2,0,0]=4 22836 B11R1.90 C[C@@H](O)CSC1COCC1O 62a_100009817552_200000725654 [0,1,0,1,0,0|2,0,0]=4 22837 B11R1.90 C[C@@H](O)CSC1COCC1O 62a_200000725654_100009817552 [0,1,0,1,0,0|2,0,0]=4 22838 B11R1.90 C[C@@H](O)CS[C@@H]1CCC[C@H]1O 62a_100009817552_200016002552 [0,1,0,1,0,0|1,0,0]=3 22839 B11R1.90 C[C@@H](O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100009817552 [0,1,0,1,0,0|1,0,0]=3 22840 B11R1.90 C[C@@H]1CNC[C@@H]1OC[C@@H](C)O 34a_200015306588_100009817552 [0,1,0,1,0,0|2,0,0]=4 22841 B11R1.90 O[C@@H]1CCC[C@H]1SCC(F)F 62a_100011934356_200016002552 [0,1,0,1,0,0|2,0,0]=4 22842 B11R1.90 O[C@@H]1CCC[C@H]1SCC(F)F 62a_200016002552_100011934356 [0,1,0,1,0,0|2,0,0]=4 22843 B11R1.91 C=C(C)COC1CCCCO1 34a_100000033831_100000748629 [0,1,0,1,0,0|1,0,1]=4 22844 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,1,0,1,0,0|0,0,2]=4 22845 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,1,0,1,0,0|0,0,2]=4 22846 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [0,1,0,1,0,0|1,0,1]=4 22847 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [0,1,0,1,0,0|1,0,1]=4 22848 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,1,0,1,0,0|1,0,1]=4 22849 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,1,0,1,0,0|1,0,1]=4 22850 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,1,0,1,0,0|1,0,1]=4 22851 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,1,0,1,0,0|1,0,1]=4 22852 B11R1.91 CC(Br)COC1CCCCC1 34a_100012180447_100000210327 [0,1,0,1,0,0|2,0,0]=4 22853 B11R1.91 CC(C)CNC1CCCCC1 2230a_100000182618_100000210760 [0,1,0,1,0,0|2,0,0]=4 22854 B11R1.91 CC(C)CNC1CCCCC1 270004a_100000182618_100000210432 [0,1,0,1,0,0|2,0,0]=4 22855 B11R1.91 CC(C)CNC1CCCCC1 270004a_100000210953_100000210434 [0,1,0,1,0,0|2,0,0]=4 22856 B11R1.91 CC(C)CNC1CCCCC1 34a_100000182618_100000210624 [0,1,0,1,0,0|2,0,0]=4 22857 B11R1.91 CC(C)CNC1CCCCC1 34a_100000210953_100000210327 [0,1,0,1,0,0|2,0,0]=4 22858 B11R1.91 CC(C)COC1CCCCC1 34a_100000210231_100000210624 [0,1,0,1,0,0|2,0,0]=4 22859 B11R1.91 CC(C)COC1CCCCC1 34a_100000210257_100000210327 [0,1,0,1,0,0|2,0,0]=4 22860 B11R1.91 CC(C)COC1CCCCC1 7a_100000210231_100000210760 [0,1,0,1,0,0|2,0,0]=4 22861 B11R1.91 CC(C)COC1CCCCO1 34a_100000033831_100000210624 [0,1,0,1,0,0|1,0,0]=3 22862 B11R1.91 CC(C)CSC1CCCCC1 62a_100000210327_100000210760 [0,1,0,1,0,0|2,0,0]=4 22863 B11R1.91 CC(C)CSC1CCCCC1 62a_100000210624_100000210327 [0,1,0,1,0,0|2,0,0]=4 22864 B11R1.91 CC(C)NCC1CCCCC1 2230a_100000210473_100000210206 [0,1,0,1,0,0|2,0,0]=4 22865 B11R1.91 CC(C)NCC1CCCCC1 2230a_100138425928_100000211423 [0,1,0,1,0,0|2,0,0]=4 22866 B11R1.91 CC(C)NCC1CCCCC1 34a_100000210473_100000210206 [0,1,0,1,0,0|2,0,0]=4 22867 B11R1.91 CC(C)NCC1CCCCC1 34a_100138425928_100000211423 [0,1,0,1,0,0|2,0,0]=4 22868 B11R1.91 CC(C)NCC1CCCCO1 2230a_100000174945_100000210206 [0,1,0,1,0,0|1,0,0]=3 22869 B11R1.91 CC(C)NCC1CCCCO1 2230a_100138425928_100000211543 [0,1,0,1,0,0|1,0,0]=3 22870 B11R1.91 CC(C)NCC1CCCCO1 34a_100000174945_100000210206 [0,1,0,1,0,0|1,0,0]=3 22871 B11R1.91 CC(C)NCC1CCCCO1 34a_100138425928_100000211543 [0,1,0,1,0,0|1,0,0]=3 22872 B11R1.91 CC(C)NC[C@H]1COCCO1 2230a_100010981119_100000210206 [0,1,0,1,0,0|2,0,0]=4 22873 B11R1.91 CC(C)NC[C@H]1COCCO1 34a_100010981119_100000210206 [0,1,0,1,0,0|2,0,0]=4 22874 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212181_100000210206 [0,1,0,1,0,0|2,0,0]=4 22875 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212225_100000211423 [0,1,0,1,0,0|2,0,0]=4 22876 B11R1.91 CC(C)OCC1CCCCC1 7a_100000212181_100000210206 [0,1,0,1,0,0|2,0,0]=4 22877 B11R1.91 CC(C)OCC1CCCCN1 34a_100000210821_100000210206 [0,1,0,1,0,0|2,0,0]=4 22878 B11R1.91 CC(C)OCC1CCCCO1 34a_100000211370_100000210206 [0,1,0,1,0,0|1,0,0]=3 22879 B11R1.91 CC(C)OCC1CCCCO1 34a_100000212225_100000211543 [0,1,0,1,0,0|1,0,0]=3 22880 B11R1.91 CC(C)OCC1CCCCO1 7a_100000211370_100000210206 [0,1,0,1,0,0|1,0,0]=3 22881 B11R1.91 CC(C)OC[C@@H]1CNCCO1 34a_100015189573_100000210206 [0,1,0,1,0,0|2,0,0]=4 22882 B11R1.91 CC(C)OC[C@H]1COCCO1 34a_100009875890_100000210206 [0,1,0,1,0,0|2,0,0]=4 22883 B11R1.91 CC(C)SCC1CCCCC1 62a_100000210206_100000211423 [0,1,0,1,0,0|2,0,0]=4 22884 B11R1.91 CC(C)SCC1CCCCC1 62a_100000211423_100000210206 [0,1,0,1,0,0|2,0,0]=4 22885 B11R1.91 CC(C)SCC1CCCCO1 62a_100000210206_100000211543 [0,1,0,1,0,0|1,0,0]=3 22886 B11R1.91 CC(C)SCC1CCCCO1 62a_100000211543_100000210206 [0,1,0,1,0,0|1,0,0]=3 22887 B11R1.91 CC(F)COC1CCCCC1 34a_100015925927_100000210327 [0,1,0,1,0,0|2,0,0]=4 22888 B11R1.91 CC(O)CCN1CCCOC1 2230a_100000131196_100012276601 [0,1,0,1,0,0|2,0,0]=4 22889 B11R1.91 CC(O)CCN1CCCOC1 269982a_100000131196_100012276601 [0,1,0,1,0,0|2,0,0]=4 22890 B11R1.91 CC(O)CCN1CCCOC1 34a_100000131196_100012276601 [0,1,0,1,0,0|2,0,0]=4 22891 B11R1.91 CC(O)CCN1CCOCC1 2230a_100015191051_100012276601 [0,1,0,1,0,0|2,0,0]=4 22892 B11R1.91 CC(O)CCN1CCOCC1 269982a_100015191051_100012276601 [0,1,0,1,0,0|2,0,0]=4 22893 B11R1.91 CC(O)CCN1CCOCC1 34a_100015191051_100012276601 [0,1,0,1,0,0|2,0,0]=4 22894 B11R1.91 CC(O)CCN1CCSCC1 2230a_100000737611_100012276601 [0,1,0,1,0,0|2,0,0]=4 22895 B11R1.91 CC(O)CCN1CCSCC1 269982a_100000737611_100012276601 [0,1,0,1,0,0|2,0,0]=4 22896 B11R1.91 CC(O)CNC1CCCCC1 2230a_100000182618_100011218427 [0,1,0,1,0,0|1,0,0]=3 22897 B11R1.91 CC(O)CNC1CCCCC1 270004a_100000210904_100000210434 [0,1,0,1,0,0|1,0,0]=3 22898 B11R1.91 CC(O)CNC1CCCCC1 34a_100000182618_100011218427 [0,1,0,1,0,0|1,0,0]=3 22899 B11R1.91 CC(O)CNC1CCCCC1 34a_100000210904_100000210327 [0,1,0,1,0,0|1,0,0]=3 22900 B11R1.91 CC(O)CNC1CCCOC1 2230a_100000719290_100011218427 [0,1,0,1,0,0|2,0,0]=4 22901 B11R1.91 CC(O)CNC1CCCOC1 270004a_100000210904_100000753404 [0,1,0,1,0,0|2,0,0]=4 22902 B11R1.91 CC(O)CNC1CCCOC1 34a_100000210904_100000693364 [0,1,0,1,0,0|2,0,0]=4 22903 B11R1.91 CC(O)CNC1CCCOC1 34a_100000719290_100011218427 [0,1,0,1,0,0|2,0,0]=4 22904 B11R1.91 CC(O)CNC1CCCSC1 270004a_100000210904_100000057913 [0,1,0,1,0,0|2,0,0]=4 22905 B11R1.91 CC(O)CNC1CCNCC1 270004a_100000210904_100015192401 [0,1,0,1,0,0|2,0,0]=4 22906 B11R1.91 CC(O)CNC1CCOCC1 2230a_100000741149_100011218427 [0,1,0,1,0,0|2,0,0]=4 22907 B11R1.91 CC(O)CNC1CCOCC1 270004a_100000210904_100011217826 [0,1,0,1,0,0|2,0,0]=4 22908 B11R1.91 CC(O)CNC1CCOCC1 34a_100000741149_100011218427 [0,1,0,1,0,0|2,0,0]=4 22909 B11R1.91 CC(O)CNC1CCSCC1 2230a_100000748639_100011218427 [0,1,0,1,0,0|2,0,0]=4 22910 B11R1.91 CC(O)CNC1CCSCC1 270004a_100000210904_100000203788 [0,1,0,1,0,0|2,0,0]=4 22911 B11R1.91 CC(O)CNC1CCSCC1 34a_100000210904_100000069128 [0,1,0,1,0,0|2,0,0]=4 22912 B11R1.91 CC(O)CNC1CCSCC1 34a_100000748639_100011218427 [0,1,0,1,0,0|2,0,0]=4 22913 B11R1.91 CC(O)COC1CCCCC1 34a_100000210231_100011218427 [0,1,0,1,0,0|1,0,0]=3 22914 B11R1.91 CC(O)COC1CCCCC1 7a_100000210231_100011218427 [0,1,0,1,0,0|1,0,0]=3 22915 B11R1.91 CC(O)COC1CCCCO1 34a_100000033831_100011218427 [0,1,0,1,0,0|1,0,0]=3 22916 B11R1.91 CC(O)COC1CCCOC1 34a_100000754041_100011218427 [0,1,0,1,0,0|2,0,0]=4 22917 B11R1.91 CC(O)COC1CCCSC1 7a_100015962668_100011218427 [0,1,0,1,0,0|2,0,0]=4 22918 B11R1.91 CC(O)COC1CCOCC1 34a_100000744328_100011218427 [0,1,0,1,0,0|2,0,0]=4 22919 B11R1.91 CC(O)COC1CCSCC1 34a_100000731022_100011218427 [0,1,0,1,0,0|2,0,0]=4 22920 B11R1.91 CC(O)COC1CCSCC1 7a_100000731022_100011218427 [0,1,0,1,0,0|2,0,0]=4 22921 B11R1.91 CC(O)CSC1CCCCC1 62a_100000210327_100011218427 [0,1,0,1,0,0|1,0,0]=3 22922 B11R1.91 CC(O)CSC1CCCCC1 62a_100011218427_100000210327 [0,1,0,1,0,0|1,0,0]=3 22923 B11R1.91 CC(O)CSC1CCCOC1 62a_100011218427_100000693364 [0,1,0,1,0,0|2,0,0]=4 22924 B11R1.91 CC(O)CSC1CCOCC1 62a_100011218427_100011324220 [0,1,0,1,0,0|2,0,0]=4 22925 B11R1.91 CC(O)CSC1CCSCC1 62a_100011218427_100000069128 [0,1,0,1,0,0|2,0,0]=4 22926 B11R1.91 CN(C)CCC1CCCCC1 2230a_100102631434_100012355289 [0,1,0,1,0,0|2,0,0]=4 22927 B11R1.91 CN(C)CCC1CCCCC1 269982a_100102631434_100011273959 [0,1,0,1,0,0|2,0,0]=4 22928 B11R1.91 CN(C)CCC1CCCCC1 270004a_100102631434_100011713444 [0,1,0,1,0,0|2,0,0]=4 22929 B11R1.91 CN(C)CCC1CCCCO1 2230a_100015183322_200000210301 [0,1,0,1,0,0|1,0,0]=3 22930 B11R1.91 CN(C)CCC1CCCCO1 269982a_100015183322_200000210301 [0,1,0,1,0,0|1,0,0]=3 22931 B11R1.91 CN(C)CCC1CCCCO1 34a_100015183322_200000210301 [0,1,0,1,0,0|1,0,0]=3 22932 B11R1.91 CN(C)CCC1OCCCO1 2230a_100102631434_100000764188 [0,1,0,1,0,0|2,0,0]=4 22933 B11R1.91 CN(C)CCC1OCCCO1 269982a_100102631434_100000764188 [0,1,0,1,0,0|2,0,0]=4 22934 B11R1.91 CN([13CH3])CCC1CCCCO1 2230a_100015183322_200025704644 [0,1,0,1,0,0|1,0,0]=3 22935 B11R1.91 CN([13CH3])CCC1CCCCO1 269982a_100015183322_200025704644 [0,1,0,1,0,0|1,0,0]=3 22936 B11R1.91 CN([13CH3])CCC1CCCCO1 34a_100015183322_200025704644 [0,1,0,1,0,0|1,0,0]=3 22937 B11R1.91 C[C@@H](Cl)COC1CCCCC1 34a_100016084084_100000210327 [0,1,0,1,0,0|2,0,0]=4 22938 B11R1.91 C[C@@H](N)COC1CCCCC1 34a_100000737577_100000210327 [0,1,0,1,0,0|2,0,0]=4 22939 B11R1.91 C[C@@H](O)CNC1CCCCC1 2230a_100000182618_100009817552 [0,1,0,1,0,0|1,0,0]=3 22940 B11R1.91 C[C@@H](O)CNC1CCCCC1 34a_100000182618_100009817552 [0,1,0,1,0,0|1,0,0]=3 22941 B11R1.91 C[C@@H](O)CNC1CCCOC1 2230a_100000719290_100009817552 [0,1,0,1,0,0|2,0,0]=4 22942 B11R1.91 C[C@@H](O)CNC1CCCOC1 34a_100000719290_100009817552 [0,1,0,1,0,0|2,0,0]=4 22943 B11R1.91 C[C@@H](O)CNC1CCOCC1 2230a_100000741149_100009817552 [0,1,0,1,0,0|2,0,0]=4 22944 B11R1.91 C[C@@H](O)CNC1CCOCC1 34a_100000741149_100009817552 [0,1,0,1,0,0|2,0,0]=4 22945 B11R1.91 C[C@@H](O)CNC1CCSCC1 2230a_100000748639_100009817552 [0,1,0,1,0,0|2,0,0]=4 22946 B11R1.91 C[C@@H](O)CNC1CCSCC1 34a_100000748639_100009817552 [0,1,0,1,0,0|2,0,0]=4 22947 B11R1.91 C[C@@H](O)COC1CCCCC1 34a_100000210231_100009817552 [0,1,0,1,0,0|1,0,0]=3 22948 B11R1.91 C[C@@H](O)COC1CCCCC1 7a_100000210231_100009817552 [0,1,0,1,0,0|1,0,0]=3 22949 B11R1.91 C[C@@H](O)COC1CCCCO1 34a_100000033831_100009817552 [0,1,0,1,0,0|1,0,0]=3 22950 B11R1.91 C[C@@H](O)COC1CCCOC1 34a_100000754041_100009817552 [0,1,0,1,0,0|2,0,0]=4 22951 B11R1.91 C[C@@H](O)COC1CCCSC1 7a_100015962668_100009817552 [0,1,0,1,0,0|2,0,0]=4 22952 B11R1.91 C[C@@H](O)COC1CCOCC1 34a_100000744328_100009817552 [0,1,0,1,0,0|2,0,0]=4 22953 B11R1.91 C[C@@H](O)COC1CCSCC1 34a_100000731022_100009817552 [0,1,0,1,0,0|2,0,0]=4 22954 B11R1.91 C[C@@H](O)COC1CCSCC1 7a_100000731022_100009817552 [0,1,0,1,0,0|2,0,0]=4 22955 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100000210327_100009817552 [0,1,0,1,0,0|1,0,0]=3 22956 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100009817552_100000210327 [0,1,0,1,0,0|1,0,0]=3 22957 B11R1.91 C[C@@H](O)CSC1CCCOC1 62a_100009817552_100000693364 [0,1,0,1,0,0|2,0,0]=4 22958 B11R1.91 C[C@@H](O)CSC1CCOCC1 62a_100009817552_100011324220 [0,1,0,1,0,0|2,0,0]=4 22959 B11R1.91 C[C@@H](O)CSC1CCSCC1 62a_100009817552_100000069128 [0,1,0,1,0,0|2,0,0]=4 22960 B11R1.91 FC(F)CNC1CCCCC1 2230a_100000182618_100011934356 [0,1,0,1,0,0|2,0,0]=4 22961 B11R1.91 FC(F)CNC1CCCCC1 270004a_100000765723_100000210434 [0,1,0,1,0,0|2,0,0]=4 22962 B11R1.91 FC(F)CNC1CCCCC1 34a_100000182618_100011934356 [0,1,0,1,0,0|2,0,0]=4 22963 B11R1.91 FC(F)CNC1CCCCC1 34a_100000765723_100000210327 [0,1,0,1,0,0|2,0,0]=4 22964 B11R1.91 FC(F)COC1CCCCC1 34a_100000210231_100011934356 [0,1,0,1,0,0|2,0,0]=4 22965 B11R1.91 FC(F)COC1CCCCC1 34a_100000743014_100000210327 [0,1,0,1,0,0|2,0,0]=4 22966 B11R1.91 FC(F)COC1CCCCC1 7a_100000210231_100011934356 [0,1,0,1,0,0|2,0,0]=4 22967 B11R1.91 FC(F)COC1CCCCO1 34a_100000033831_100011934356 [0,1,0,1,0,0|2,0,0]=4 22968 B11R1.91 FC(F)CSC1CCCCC1 62a_100000210327_100011934356 [0,1,0,1,0,0|2,0,0]=4 22969 B11R1.91 FC(F)CSC1CCCCC1 62a_100011934356_100000210327 [0,1,0,1,0,0|2,0,0]=4 22970 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [0,1,0,1,0,0|1,0,1]=4 22971 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,1,0,1,0,0|0,0,2]=4 22972 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [0,1,0,1,0,0|1,0,1]=4 22973 B11R1.99 BrCCCCCCOC1CC1 34a_100011215345_100000211595 [0,1,0,1,0,0|1,0,0]=3 22974 B11R1.99 BrCCCCCOCC1CC1 34a_100000746331_100000742324 [0,1,0,1,0,0|1,0,0]=3 22975 B11R1.99 BrCCCCCOCC1CC1 7a_100000746331_100000742324 [0,1,0,1,0,0|1,0,0]=3 22976 B11R1.99 BrCCCCCOCC1CO1 34a_100000746331_102125554688 [0,1,0,1,0,0|1,0,0]=3 22977 B11R1.99 BrCCCCCOCC1CO1 7a_100000746331_102125554688 [0,1,0,1,0,0|1,0,0]=3 22978 B11R1.99 BrCCCCCOCC1CS1 7a_100000746331_100000031435 [0,1,0,1,0,0|1,1,0]=4 22979 B11R1.99 BrCCCCCOC[C@@H]1CO1 7a_100000746331_100000745022 [0,1,0,1,0,0|1,0,0]=3 22980 B11R1.99 BrCCCCOCCC1CC1 34a_100011216708_100000694398 [0,1,0,1,0,0|1,0,0]=3 22981 B11R1.99 BrCCCCOCCC1CO1 34a_100011216708_100000732470 [0,1,0,1,0,0|1,0,0]=3 22982 B11R1.99 BrCCCOCCCC1CO1 34a_100011217188_100000733510 [0,1,0,1,0,0|1,0,0]=3 22983 B11R1.99 BrCCOCCOCC1CC1 34a_100000692535_100000742324 [0,1,0,1,0,0|2,0,0]=4 22984 B11R1.99 BrCCOCCOCC1CC1 7a_100000692535_100000742324 [0,1,0,1,0,0|2,0,0]=4 22985 B11R1.99 BrCCOCCOCC1CO1 34a_100000692535_102125554688 [0,1,0,1,0,0|2,0,0]=4 22986 B11R1.99 BrCCOCCOCC1CO1 7a_100000692535_102125554688 [0,1,0,1,0,0|2,0,0]=4 22987 B11R1.99 BrCCOCCOC[C@@H]1CO1 7a_100000692535_100000745022 [0,1,0,1,0,0|2,0,0]=4 22988 B11R1.99 C#CCCCCCNC1CC1 34a_100000212008_100012094781 [0,1,0,1,0,0|1,0,1]=4 22989 B11R1.99 C#CCCCCCOC1CC1 34a_100000766912_100000211595 [0,1,0,1,0,0|1,0,1]=4 22990 B11R1.99 C#CCCCCCSC1CC1 62a_100012094781_100000211595 [0,1,0,1,0,0|1,0,1]=4 22991 B11R1.99 C#CCCCCNCC1CC1 2230a_100000706060_100000742324 [0,1,0,1,0,0|1,0,1]=4 22992 B11R1.99 C#CCCCCNCC1CC1 2230a_100000735609_100010269958 [0,1,0,1,0,0|1,0,1]=4 22993 B11R1.99 C#CCCCCNCC1CC1 34a_100000706060_100000742324 [0,1,0,1,0,0|1,0,1]=4 22994 B11R1.99 C#CCCCCNCC1CC1 34a_100000735609_100010269958 [0,1,0,1,0,0|1,0,1]=4 22995 B11R1.99 C#CCCCCNCC1CO1 2230a_100000706060_100011216344 [0,1,0,1,0,0|0,0,2]=4 22996 B11R1.99 C#CCCCCNCC1CO1 34a_100000706060_102125554688 [0,1,0,1,0,0|0,0,2]=4 22997 B11R1.99 C#CCCCCOCC1CC1 34a_100000211283_100010269958 [0,1,0,1,0,0|1,0,1]=4 22998 B11R1.99 C#CCCCCOCC1CC1 34a_100000766709_100000742324 [0,1,0,1,0,0|1,0,1]=4 22999 B11R1.99 C#CCCCCOCC1CC1 7a_100000766709_100000742324 [0,1,0,1,0,0|1,0,1]=4 23000 B11R1.99 C#CCCCCOCC1CO1 34a_100000766709_102125554688 [0,1,0,1,0,0|0,0,2]=4 23001 B11R1.99 C#CCCCCOCC1CO1 7a_100000766709_102125554688 [0,1,0,1,0,0|0,0,2]=4 23002 B11R1.99 C#CCCCCOC[C@@H]1CO1 34a_100000757423_100010269958 [0,1,0,1,0,0|0,0,2]=4 23003 B11R1.99 C#CCCCCOC[C@@H]1CO1 7a_100000766709_100000745022 [0,1,0,1,0,0|0,0,2]=4 23004 B11R1.99 C#CCCCCSCC1CC1 62a_100000756562_100010269958 [0,1,0,1,0,0|1,0,1]=4 23005 B11R1.99 C#CCCCCSCC1CC1 62a_100010269958_100000742324 [0,1,0,1,0,0|1,0,1]=4 23006 B11R1.99 C#CCCCCSCC1CO1 62a_100010269958_102125554688 [0,1,0,1,0,0|0,0,2]=4 23007 B11R1.99 C#CCCCCSCC1CO1 62a_102125554688_100010269958 [0,1,0,1,0,0|0,0,2]=4 23008 B11R1.99 C#CCCCCSC[C@@H]1CO1 62a_100000745022_100010269958 [0,1,0,1,0,0|0,0,2]=4 23009 B11R1.99 C#CCCCCSC[C@@H]1CO1 62a_100010269958_100000745022 [0,1,0,1,0,0|0,0,2]=4 23010 B11R1.99 C#CCCCNCCC1CC1 34a_100000718082_100000694398 [0,1,0,1,0,0|1,0,1]=4 23011 B11R1.99 C#CCCCNCCC1CC1 34a_100000764129_100000695029 [0,1,0,1,0,0|1,0,1]=4 23012 B11R1.99 C#CCCCNCCC1CO1 34a_100000718082_100000732470 [0,1,0,1,0,0|0,0,2]=4 23013 B11R1.99 C#CCCCOCCC1CC1 34a_100000215630_100000694398 [0,1,0,1,0,0|1,0,1]=4 23014 B11R1.99 C#CCCCOCCC1CC1 34a_100000754188_100000695029 [0,1,0,1,0,0|1,0,1]=4 23015 B11R1.99 C#CCCCOCCC1CC1 7a_100000215630_100000764125 [0,1,0,1,0,0|1,0,1]=4 23016 B11R1.99 C#CCCCOCCC1CC1 7a_100000754188_100011215417 [0,1,0,1,0,0|1,0,1]=4 23017 B11R1.99 C#CCCCOCCC1CO1 34a_100000215630_100000732470 [0,1,0,1,0,0|0,0,2]=4 23018 B11R1.99 C#CCCCOCCC1CO1 7a_100000215630_100000732470 [0,1,0,1,0,0|0,0,2]=4 23019 B11R1.99 C#CCCCOCC[C@@H]1CO1 34a_100009820653_100000695029 [0,1,0,1,0,0|0,0,2]=4 23020 B11R1.99 C#CCCCSCCC1CC1 62a_100000764125_100011215417 [0,1,0,1,0,0|1,0,1]=4 23021 B11R1.99 C#CCCCSCCC1CC1 62a_100011215417_100000764125 [0,1,0,1,0,0|1,0,1]=4 23022 B11R1.99 C#CCCCSCCC1CO1 62a_100000732470_100011215417 [0,1,0,1,0,0|0,0,2]=4 23023 B11R1.99 C#CCCCSCCC1CO1 62a_100011215417_100000732470 [0,1,0,1,0,0|0,0,2]=4 23024 B11R1.99 C#CCCNCCCC1CO1 34a_100000755551_100000733510 [0,1,0,1,0,0|0,0,2]=4 23025 B11R1.99 C#CCCOCCCC1CO1 34a_100011215631_100000733510 [0,1,0,1,0,0|0,0,2]=4 23026 B11R1.99 C#CCCSCCCC1CO1 62a_100000688953_100000733510 [0,1,0,1,0,0|0,0,2]=4 23027 B11R1.99 C#CCCSCCCC1CO1 62a_100000733510_100000688953 [0,1,0,1,0,0|0,0,2]=4 23028 B11R1.99 C/C=C/CCOCCC1CO1 34a_100016278192_100000732470 [0,1,0,1,0,0|0,0,2]=4 23029 B11R1.99 C/C=C/COCCCC1CO1 34a_100016270725_100000733510 [0,1,0,1,0,0|0,0,2]=4 23030 B11R1.99 C/C=C/CSCCCC1CO1 62a_100000733510_100102629194 [0,1,0,1,0,0|0,0,2]=4 23031 B11R1.99 C/C=C/CSCCCC1CO1 62a_100102629194_100000733510 [0,1,0,1,0,0|0,0,2]=4 23032 B11R1.99 C=CCCCCCNC1CC1 34a_100000212008_100000700193 [0,1,0,1,0,0|1,0,1]=4 23033 B11R1.99 C=CCCCCCOC1CC1 34a_100011216702_100000211595 [0,1,0,1,0,0|1,0,1]=4 23034 B11R1.99 C=CCCCCCSC1CC1 62a_100000700193_100000211595 [0,1,0,1,0,0|1,0,1]=4 23035 B11R1.99 C=CCCCCNCC1CC1 2230a_100000703577_100000742324 [0,1,0,1,0,0|1,0,1]=4 23036 B11R1.99 C=CCCCCNCC1CC1 2230a_100000735609_100011215482 [0,1,0,1,0,0|1,0,1]=4 23037 B11R1.99 C=CCCCCNCC1CC1 269862a_100000703577_100000741477 [0,1,0,1,0,0|1,0,1]=4 23038 B11R1.99 C=CCCCCNCC1CC1 34a_100000703577_100000742324 [0,1,0,1,0,0|1,0,1]=4 23039 B11R1.99 C=CCCCCNCC1CC1 34a_100000735609_100011215482 [0,1,0,1,0,0|1,0,1]=4 23040 B11R1.99 C=CCCCCNCC1CO1 2230a_100000703577_100011216344 [0,1,0,1,0,0|0,0,2]=4 23041 B11R1.99 C=CCCCCNCC1CO1 34a_100000703577_102125554688 [0,1,0,1,0,0|0,0,2]=4 23042 B11R1.99 C=CCCCCOCC1CC1 34a_100000211283_100011215482 [0,1,0,1,0,0|1,0,1]=4 23043 B11R1.99 C=CCCCCOCC1CC1 34a_100000766645_100000742324 [0,1,0,1,0,0|1,0,1]=4 23044 B11R1.99 C=CCCCCOCC1CC1 7a_100000766645_100000742324 [0,1,0,1,0,0|1,0,1]=4 23045 B11R1.99 C=CCCCCOCC1CO1 34a_100000766645_102125554688 [0,1,0,1,0,0|0,0,2]=4 23046 B11R1.99 C=CCCCCOCC1CO1 7a_100000766645_102125554688 [0,1,0,1,0,0|0,0,2]=4 23047 B11R1.99 C=CCCCCOC[C@@H]1CO1 34a_100000757423_100011215482 [0,1,0,1,0,0|0,0,2]=4 23048 B11R1.99 C=CCCCCOC[C@@H]1CO1 7a_100000766645_100000745022 [0,1,0,1,0,0|0,0,2]=4 23049 B11R1.99 C=CCCCCSCC1CC1 62a_100000756562_100011215482 [0,1,0,1,0,0|1,0,1]=4 23050 B11R1.99 C=CCCCCSCC1CC1 62a_100011215482_100000742324 [0,1,0,1,0,0|1,0,1]=4 23051 B11R1.99 C=CCCCCSCC1CO1 62a_100011215482_102125554688 [0,1,0,1,0,0|0,0,2]=4 23052 B11R1.99 C=CCCCCSCC1CO1 62a_102125554688_100011215482 [0,1,0,1,0,0|0,0,2]=4 23053 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100000745022_100011215482 [0,1,0,1,0,0|0,0,2]=4 23054 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100011215482_100000745022 [0,1,0,1,0,0|0,0,2]=4 23055 B11R1.99 C=CCCCNCCC1CC1 2230a_100000700776_100000694398 [0,1,0,1,0,0|1,0,1]=4 23056 B11R1.99 C=CCCCNCCC1CC1 34a_100000700776_100000694398 [0,1,0,1,0,0|1,0,1]=4 23057 B11R1.99 C=CCCCNCCC1CC1 34a_100000764129_100000757094 [0,1,0,1,0,0|1,0,1]=4 23058 B11R1.99 C=CCCCNCCC1CO1 2230a_100000700776_100000732470 [0,1,0,1,0,0|0,0,2]=4 23059 B11R1.99 C=CCCCNCCC1CO1 34a_100000700776_100000732470 [0,1,0,1,0,0|0,0,2]=4 23060 B11R1.99 C=CCCCOCCC1CC1 34a_100000754188_100000757094 [0,1,0,1,0,0|1,0,1]=4 23061 B11R1.99 C=CCCCOCCC1CC1 34a_100000758997_100000694398 [0,1,0,1,0,0|1,0,1]=4 23062 B11R1.99 C=CCCCOCCC1CC1 7a_100000754188_100000757094 [0,1,0,1,0,0|1,0,1]=4 23063 B11R1.99 C=CCCCOCCC1CC1 7a_100000758997_100000764125 [0,1,0,1,0,0|1,0,1]=4 23064 B11R1.99 C=CCCCOCCC1CO1 34a_100000758997_100000732470 [0,1,0,1,0,0|0,0,2]=4 23065 B11R1.99 C=CCCCOCCC1CO1 7a_100000758997_100000732470 [0,1,0,1,0,0|0,0,2]=4 23066 B11R1.99 C=CCCCOCC[C@@H]1CO1 34a_100009820653_100000757094 [0,1,0,1,0,0|0,0,2]=4 23067 B11R1.99 C=CCCCSCCC1CC1 62a_100000764125_100000757094 [0,1,0,1,0,0|1,0,1]=4 23068 B11R1.99 C=CCCCSCCC1CC1 62a_100011713584_100000764125 [0,1,0,1,0,0|1,0,1]=4 23069 B11R1.99 C=CCCCSCCC1CO1 62a_100000732470_100000757094 [0,1,0,1,0,0|0,0,2]=4 23070 B11R1.99 C=CCCCSCCC1CO1 62a_100011713584_100000732470 [0,1,0,1,0,0|0,0,2]=4 23071 B11R1.99 C=CCCNCCCC1CO1 2230a_100015191253_100000733510 [0,1,0,1,0,0|0,0,2]=4 23072 B11R1.99 C=CCCOCCCC1CO1 34a_100011205117_100000733510 [0,1,0,1,0,0|0,0,2]=4 23073 B11R1.99 C=CCCSCCCC1CO1 62a_100000733510_100000754431 [0,1,0,1,0,0|0,0,2]=4 23074 B11R1.99 C=CCCSCCCC1CO1 62a_100000754431_100000733510 [0,1,0,1,0,0|0,0,2]=4 23075 B11R1.99 CC#CCCOCCC1CO1 34a_100000750427_100000732470 [0,1,0,1,0,0|0,0,2]=4 23076 B11R1.99 CC#CCNCCCC1CO1 2230a_100000685387_100000733510 [0,1,0,1,0,0|0,0,2]=4 23077 B11R1.99 CC#CCNCCCC1CO1 34a_100000685387_100000733510 [0,1,0,1,0,0|0,0,2]=4 23078 B11R1.99 CC#CCOCCCC1CO1 34a_100000761923_100000733510 [0,1,0,1,0,0|0,0,2]=4 23079 B11R1.99 CC#CCSCCCC1CO1 62a_100000733510_100000748600 [0,1,0,1,0,0|0,0,2]=4 23080 B11R1.99 CC#CCSCCCC1CO1 62a_100000748600_100000733510 [0,1,0,1,0,0|0,0,2]=4 23081 B11R1.99 CC/C=C\CCOCC1CO1 34a_100016288707_102125554688 [0,1,0,1,0,0|0,0,2]=4 23082 B11R1.99 CC/C=C\CCOCC1CO1 7a_100016288707_102125554688 [0,1,0,1,0,0|0,0,2]=4 23083 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 34a_100000757423_100015370543 [0,1,0,1,0,0|0,0,2]=4 23084 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 7a_100016288707_100000745022 [0,1,0,1,0,0|0,0,2]=4 23085 B11R1.99 CC/C=C\CCSCC1CO1 62a_100015370543_102125554688 [0,1,0,1,0,0|0,0,2]=4 23086 B11R1.99 CC/C=C\CCSCC1CO1 62a_102125554688_100015370543 [0,1,0,1,0,0|0,0,2]=4 23087 B11R1.99 CC/C=C\CCSC[C@@H]1CO1 62a_100000745022_100015370543 [0,1,0,1,0,0|0,0,2]=4 23088 B11R1.99 CC/C=C\CCSC[C@@H]1CO1 62a_100015370543_100000745022 [0,1,0,1,0,0|0,0,2]=4 23089 B11R1.99 CC/C=C\COCCC1CO1 34a_100016268518_100000732470 [0,1,0,1,0,0|0,0,2]=4 23090 B11R1.99 CC/C=C\COCC[C@@H]1CO1 34a_100009820653_100103147603 [0,1,0,1,0,0|0,0,2]=4 23091 B11R1.99 CC/C=C\CSCCC1CO1 62a_100000732470_100103147603 [0,1,0,1,0,0|0,0,2]=4 23092 B11R1.99 CC/C=C\CSCCC1CO1 62a_100103147603_100000732470 [0,1,0,1,0,0|0,0,2]=4 23093 B11R1.99 CC=CCCCOCC1CO1 34a_100020645299_102125554688 [0,1,0,1,0,0|0,0,2]=4 23094 B11R1.99 CC=CCSCCCC1CO1 62a_100000070051_100000733510 [0,1,0,1,0,0|0,0,2]=4 23095 B11R1.99 CC=CCSCCCC1CO1 62a_100000733510_100000070051 [0,1,0,1,0,0|0,0,2]=4 23096 B11R1.99 CCC#CCCOCC1CO1 34a_100000036655_102125554688 [0,1,0,1,0,0|0,0,2]=4 23097 B11R1.99 CCC#CCCOCC1CO1 7a_100000036655_102125554688 [0,1,0,1,0,0|0,0,2]=4 23098 B11R1.99 CCC#CCCOC[C@@H]1CO1 7a_100000036655_100000745022 [0,1,0,1,0,0|0,0,2]=4 23099 B11R1.99 CCC#CCOCCC1CO1 34a_100000032950_100000732470 [0,1,0,1,0,0|0,0,2]=4 23100 B11R1.99 CCC#CCOCC[C@@H]1CO1 34a_100009820653_100009813939 [0,1,0,1,0,0|0,0,2]=4 23101 B11R1.99 CCC#CCSCCC1CO1 62a_100000732470_100009813939 [0,1,0,1,0,0|0,0,2]=4 23102 B11R1.99 CCC#CCSCCC1CO1 62a_100009813939_100000732470 [0,1,0,1,0,0|0,0,2]=4 23103 B11R1.99 CCC/C=C/COCC1CO1 34a_100016278788_102125554688 [0,1,0,1,0,0|0,0,2]=4 23104 B11R1.99 CCC/C=C/COCC1CO1 7a_100016278788_102125554688 [0,1,0,1,0,0|0,0,2]=4 23105 B11R1.99 CCC/C=C/COC[C@@H]1CO1 7a_100016278788_100000745022 [0,1,0,1,0,0|0,0,2]=4 23106 B11R1.99 CCCC#CCOCC1CO1 34a_100000034806_102125554688 [0,1,0,1,0,0|0,0,2]=4 23107 B11R1.99 CCCC#CCOCC1CO1 7a_100000034806_102125554688 [0,1,0,1,0,0|0,0,2]=4 23108 B11R1.99 CCCC#CCOC[C@@H]1CO1 7a_100000034806_100000745022 [0,1,0,1,0,0|0,0,2]=4 23109 B11R1.99 CCCCCCCNC1CC1 34a_100000212008_100000210614 [0,1,0,1,0,0|1,0,0]=3 23110 B11R1.99 CCCCCCCOC1CC1 34a_100000210272_100000211595 [0,1,0,1,0,0|1,0,0]=3 23111 B11R1.99 CCCCCCCSC1CC1 62a_100000210614_100000211595 [0,1,0,1,0,0|1,0,0]=3 23112 B11R1.99 CCCCCCNCC1CC1 2230a_100000210581_100000742324 [0,1,0,1,0,0|1,0,0]=3 23113 B11R1.99 CCCCCCNCC1CC1 2230a_100000735609_100000210314 [0,1,0,1,0,0|1,0,0]=3 23114 B11R1.99 CCCCCCNCC1CC1 269862a_100000210581_100000741477 [0,1,0,1,0,0|1,0,0]=3 23115 B11R1.99 CCCCCCNCC1CC1 34a_100000735609_100000210314 [0,1,0,1,0,0|1,0,0]=3 23116 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [0,1,0,1,0,0|0,0,0]=2 23117 B11R1.99 CCCCCCOCC1CC1 34a_100000210259_100000742324 [0,1,0,1,0,0|1,0,0]=3 23118 B11R1.99 CCCCCCOCC1CC1 34a_100000211283_100000210314 [0,1,0,1,0,0|1,0,0]=3 23119 B11R1.99 CCCCCCOCC1CC1 7a_100000210259_100000742324 [0,1,0,1,0,0|1,0,0]=3 23120 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [0,1,0,1,0,0|0,0,0]=2 23121 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [0,1,0,1,0,0|0,0,0]=2 23122 B11R1.99 CCCCCCOCC1CS1 7a_100000210259_100000031435 [0,1,0,1,0,0|0,1,0]=3 23123 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [0,1,0,1,0,0|0,0,0]=2 23124 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [0,1,0,1,0,0|0,0,0]=2 23125 B11R1.99 CCCCCCSCC1CC1 62a_100000210314_100000742324 [0,1,0,1,0,0|1,0,0]=3 23126 B11R1.99 CCCCCCSCC1CC1 62a_100000756562_100000210757 [0,1,0,1,0,0|1,0,0]=3 23127 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [0,1,0,1,0,0|0,0,0]=2 23128 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [0,1,0,1,0,0|0,0,0]=2 23129 B11R1.99 CCCCCCSCC1CS1 62a_100000031435_100000210757 [0,1,0,1,0,0|0,1,0]=3 23130 B11R1.99 CCCCCCSCC1CS1 62a_100000210314_100000031435 [0,1,0,1,0,0|0,1,0]=3 23131 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [0,1,0,1,0,0|0,0,0]=2 23132 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [0,1,0,1,0,0|0,0,0]=2 23133 B11R1.99 CCCCCNCCC1CC1 2230a_100000209983_100000694398 [0,1,0,1,0,0|1,0,0]=3 23134 B11R1.99 CCCCCNCCC1CC1 34a_100000764129_100000718602 [0,1,0,1,0,0|1,0,0]=3 23135 B11R1.99 CCCCCNCCC1CO1 2230a_100000209983_100000732470 [0,1,0,1,0,0|0,0,0]=2 23136 B11R1.99 CCCCCOCCC1CC1 34a_100000210253_100000694398 [0,1,0,1,0,0|1,0,0]=3 23137 B11R1.99 CCCCCOCCC1CC1 34a_100000754188_100000718602 [0,1,0,1,0,0|1,0,0]=3 23138 B11R1.99 CCCCCOCCC1CC1 7a_100000210253_100000764125 [0,1,0,1,0,0|1,0,0]=3 23139 B11R1.99 CCCCCOCCC1CC1 7a_100000754188_100000210326 [0,1,0,1,0,0|1,0,0]=3 23140 B11R1.99 CCCCCOCCC1CO1 34a_100000210253_100000732470 [0,1,0,1,0,0|0,0,0]=2 23141 B11R1.99 CCCCCOCCC1CO1 7a_100000210253_100000732470 [0,1,0,1,0,0|0,0,0]=2 23142 B11R1.99 CCCCCOCC[C@@H]1CO1 34a_100009820653_100000718602 [0,1,0,1,0,0|0,0,0]=2 23143 B11R1.99 CCCCCSCCC1CC1 62a_100000210326_100000764125 [0,1,0,1,0,0|1,0,0]=3 23144 B11R1.99 CCCCCSCCC1CC1 62a_100000764125_100000210326 [0,1,0,1,0,0|1,0,0]=3 23145 B11R1.99 CCCCCSCCC1CO1 62a_100000210326_100000732470 [0,1,0,1,0,0|0,0,0]=2 23146 B11R1.99 CCCCCSCCC1CO1 62a_100000732470_100000210326 [0,1,0,1,0,0|0,0,0]=2 23147 B11R1.99 CCCCNCCCC1CO1 2230a_100000102301_100000733510 [0,1,0,1,0,0|0,0,0]=2 23148 B11R1.99 CCCCNCCCC1CO1 7a_106832991798_100000733510 [0,1,0,1,0,0|0,0,0]=2 23149 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [0,1,0,1,0,0|0,0,0]=2 23150 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [0,1,0,1,0,0|0,0,0]=2 23151 B11R1.99 CCCCOCCNC1CC1 34a_100000212008_100000743108 [0,1,0,1,0,0|2,0,0]=4 23152 B11R1.99 CCCCOCCNC1CC1 34a_100000738766_100000210210 [0,1,0,1,0,0|2,0,0]=4 23153 B11R1.99 CCCCOCCOC1CC1 34a_100000210238_100000211595 [0,1,0,1,0,0|2,0,0]=4 23154 B11R1.99 CCCCOCCSC1CC1 62a_100000743108_100000211595 [0,1,0,1,0,0|2,0,0]=4 23155 B11R1.99 CCCCOCNCC1CC1 2230a_100000735609_100011995733 [0,1,0,1,0,0|2,0,0]=4 23156 B11R1.99 CCCCOCNCC1CC1 34a_100000735609_100011995733 [0,1,0,1,0,0|2,0,0]=4 23157 B11R1.99 CCCCOCOCC1CC1 34a_100000211283_100011995733 [0,1,0,1,0,0|2,0,0]=4 23158 B11R1.99 CCCCOCOC[C@@H]1CO1 34a_100000757423_100011995733 [0,1,0,1,0,0|1,0,0]=3 23159 B11R1.99 CCCCOCSCC1CC1 62a_100000756562_100011995733 [0,1,0,1,0,0|2,0,0]=4 23160 B11R1.99 CCCCOCSCC1CC1 62a_100011995733_100000742324 [0,1,0,1,0,0|2,0,0]=4 23161 B11R1.99 CCCCOCSCC1CO1 62a_100011995733_102125554688 [0,1,0,1,0,0|1,0,0]=3 23162 B11R1.99 CCCCOCSCC1CO1 62a_102125554688_100011995733 [0,1,0,1,0,0|1,0,0]=3 23163 B11R1.99 CCCCOCSCC1CS1 62a_100000031435_100011995733 [0,1,0,1,0,0|1,1,0]=4 23164 B11R1.99 CCCCOCSCC1CS1 62a_100011995733_100000031435 [0,1,0,1,0,0|1,1,0]=4 23165 B11R1.99 CCCCOCSC[C@@H]1CO1 62a_100000745022_100011995733 [0,1,0,1,0,0|1,0,0]=3 23166 B11R1.99 CCCCOCSC[C@@H]1CO1 62a_100011995733_100000745022 [0,1,0,1,0,0|1,0,0]=3 23167 B11R1.99 CCCCSCCCC1CO1 62a_100000210211_100000733510 [0,1,0,1,0,0|0,0,0]=2 23168 B11R1.99 CCCCSCCCC1CO1 62a_100000733510_100000210210 [0,1,0,1,0,0|0,0,0]=2 23169 B11R1.99 CCCCSCCOC1CC1 34a_200000230436_100000211595 [0,1,0,1,0,0|2,0,0]=4 23170 B11R1.99 CCCOCCCNC1CC1 34a_100011217757_100000211595 [0,1,0,1,0,0|2,0,0]=4 23171 B11R1.99 CCCOCCNCC1CC1 2230a_100000735609_100011215938 [0,1,0,1,0,0|2,0,0]=4 23172 B11R1.99 CCCOCCNCC1CC1 2230a_100161115042_100000742324 [0,1,0,1,0,0|2,0,0]=4 23173 B11R1.99 CCCOCCNCC1CC1 269862a_100161115042_100000741477 [0,1,0,1,0,0|2,0,0]=4 23174 B11R1.99 CCCOCCNCC1CC1 34a_100000735609_100011215938 [0,1,0,1,0,0|2,0,0]=4 23175 B11R1.99 CCCOCCNCC1CC1 34a_100161115042_100000742324 [0,1,0,1,0,0|2,0,0]=4 23176 B11R1.99 CCCOCCNCC1CO1 2230a_100161115042_100011216344 [0,1,0,1,0,0|1,0,0]=3 23177 B11R1.99 CCCOCCNCC1CO1 34a_100161115042_102125554688 [0,1,0,1,0,0|1,0,0]=3 23178 B11R1.99 CCCOCCOCC1CC1 34a_100000211283_100011215938 [0,1,0,1,0,0|2,0,0]=4 23179 B11R1.99 CCCOCCOCC1CC1 34a_100000752267_100000742324 [0,1,0,1,0,0|2,0,0]=4 23180 B11R1.99 CCCOCCOCC1CC1 7a_100000752267_100000742324 [0,1,0,1,0,0|2,0,0]=4 23181 B11R1.99 CCCOCCOCC1CO1 34a_100000752267_102125554688 [0,1,0,1,0,0|1,0,0]=3 23182 B11R1.99 CCCOCCOCC1CO1 7a_100000752267_102125554688 [0,1,0,1,0,0|1,0,0]=3 23183 B11R1.99 CCCOCCOCC1CS1 7a_100000752267_100000031435 [0,1,0,1,0,0|1,1,0]=4 23184 B11R1.99 CCCOCCOC[C@@H]1CO1 34a_100000757423_100011215938 [0,1,0,1,0,0|1,0,0]=3 23185 B11R1.99 CCCOCCOC[C@@H]1CO1 7a_100000752267_100000745022 [0,1,0,1,0,0|1,0,0]=3 23186 B11R1.99 CCCOCCSCC1CC1 62a_100000756562_100011215938 [0,1,0,1,0,0|2,0,0]=4 23187 B11R1.99 CCCOCCSCC1CC1 62a_100011215938_100000742324 [0,1,0,1,0,0|2,0,0]=4 23188 B11R1.99 CCCOCCSCC1CO1 62a_100011215938_102125554688 [0,1,0,1,0,0|1,0,0]=3 23189 B11R1.99 CCCOCCSCC1CO1 62a_102125554688_100011215938 [0,1,0,1,0,0|1,0,0]=3 23190 B11R1.99 CCCOCCSCC1CS1 62a_100000031435_100011215938 [0,1,0,1,0,0|1,1,0]=4 23191 B11R1.99 CCCOCCSCC1CS1 62a_100011215938_100000031435 [0,1,0,1,0,0|1,1,0]=4 23192 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100000745022_100011215938 [0,1,0,1,0,0|1,0,0]=3 23193 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100011215938_100000745022 [0,1,0,1,0,0|1,0,0]=3 23194 B11R1.99 CCCSCCNCC1CC1 2230a_100020603323_100000742324 [0,1,0,1,0,0|2,0,0]=4 23195 B11R1.99 CCCSCCNCC1CC1 269862a_100020603323_100000741477 [0,1,0,1,0,0|2,0,0]=4 23196 B11R1.99 CCCSCCNCC1CO1 2230a_100020603323_100011216344 [0,1,0,1,0,0|1,0,0]=3 23197 B11R1.99 CCCSCCOCC1CC1 34a_200000230433_100000742324 [0,1,0,1,0,0|2,0,0]=4 23198 B11R1.99 CCCSCCOCC1CC1 7a_200000230433_100000742324 [0,1,0,1,0,0|2,0,0]=4 23199 B11R1.99 CCCSCCOCC1CO1 34a_200000230433_102125554688 [0,1,0,1,0,0|1,0,0]=3 23200 B11R1.99 CCCSCCOCC1CO1 7a_200000230433_102125554688 [0,1,0,1,0,0|1,0,0]=3 23201 B11R1.99 CCCSCCOCC1CS1 7a_200000230433_100000031435 [0,1,0,1,0,0|1,1,0]=4 23202 B11R1.99 CCCSCCOC[C@@H]1CO1 7a_200000230433_100000745022 [0,1,0,1,0,0|1,0,0]=3 23203 B11R1.99 CCOCCCNCC1CC1 2230a_100000210961_100000742324 [0,1,0,1,0,0|2,0,0]=4 23204 B11R1.99 CCOCCCNCC1CC1 2230a_100000735609_100012232248 [0,1,0,1,0,0|2,0,0]=4 23205 B11R1.99 CCOCCCNCC1CC1 269862a_100000210961_100000741477 [0,1,0,1,0,0|2,0,0]=4 23206 B11R1.99 CCOCCCNCC1CC1 34a_100000210961_100000742324 [0,1,0,1,0,0|2,0,0]=4 23207 B11R1.99 CCOCCCNCC1CC1 34a_100000735609_100012232248 [0,1,0,1,0,0|2,0,0]=4 23208 B11R1.99 CCOCCCNCC1CO1 2230a_100000210961_100011216344 [0,1,0,1,0,0|1,0,0]=3 23209 B11R1.99 CCOCCCNCC1CO1 34a_100000210961_102125554688 [0,1,0,1,0,0|1,0,0]=3 23210 B11R1.99 CCOCCCOCC1CC1 34a_100000211283_100012232248 [0,1,0,1,0,0|2,0,0]=4 23211 B11R1.99 CCOCCCOCC1CC1 34a_100000757476_100000742324 [0,1,0,1,0,0|2,0,0]=4 23212 B11R1.99 CCOCCCOCC1CC1 7a_100000757476_100000742324 [0,1,0,1,0,0|2,0,0]=4 23213 B11R1.99 CCOCCCOCC1CO1 34a_100000757476_102125554688 [0,1,0,1,0,0|1,0,0]=3 23214 B11R1.99 CCOCCCOCC1CO1 7a_100000757476_102125554688 [0,1,0,1,0,0|1,0,0]=3 23215 B11R1.99 CCOCCCOCC1CS1 7a_100000757476_100000031435 [0,1,0,1,0,0|1,1,0]=4 23216 B11R1.99 CCOCCCOC[C@@H]1CO1 34a_100000757423_100012232248 [0,1,0,1,0,0|1,0,0]=3 23217 B11R1.99 CCOCCCOC[C@@H]1CO1 7a_100000757476_100000745022 [0,1,0,1,0,0|1,0,0]=3 23218 B11R1.99 CCOCCCSCC1CC1 62a_100000756562_100012232248 [0,1,0,1,0,0|2,0,0]=4 23219 B11R1.99 CCOCCCSCC1CC1 62a_100012232248_100000742324 [0,1,0,1,0,0|2,0,0]=4 23220 B11R1.99 CCOCCCSCC1CO1 62a_100012232248_102125554688 [0,1,0,1,0,0|1,0,0]=3 23221 B11R1.99 CCOCCCSCC1CO1 62a_102125554688_100012232248 [0,1,0,1,0,0|1,0,0]=3 23222 B11R1.99 CCOCCCSCC1CS1 62a_100000031435_100012232248 [0,1,0,1,0,0|1,1,0]=4 23223 B11R1.99 CCOCCCSCC1CS1 62a_100012232248_100000031435 [0,1,0,1,0,0|1,1,0]=4 23224 B11R1.99 CCOCCCSC[C@@H]1CO1 62a_100000745022_100012232248 [0,1,0,1,0,0|1,0,0]=3 23225 B11R1.99 CCOCCCSC[C@@H]1CO1 62a_100012232248_100000745022 [0,1,0,1,0,0|1,0,0]=3 23226 B11R1.99 CCOCCNCCC1CC1 2230a_102516460346_100000694398 [0,1,0,1,0,0|2,0,0]=4 23227 B11R1.99 CCOCCNCCC1CC1 34a_100000764129_100000210147 [0,1,0,1,0,0|2,0,0]=4 23228 B11R1.99 CCOCCNCCC1CC1 34a_102516460346_100000694398 [0,1,0,1,0,0|2,0,0]=4 23229 B11R1.99 CCOCCNCCC1CO1 2230a_102516460346_100000732470 [0,1,0,1,0,0|1,0,0]=3 23230 B11R1.99 CCOCCNCCC1CO1 34a_102516460346_100000732470 [0,1,0,1,0,0|1,0,0]=3 23231 B11R1.99 CCOCCOCCC1CC1 34a_100000210136_100000694398 [0,1,0,1,0,0|2,0,0]=4 23232 B11R1.99 CCOCCOCCC1CC1 34a_100000754188_100000210147 [0,1,0,1,0,0|2,0,0]=4 23233 B11R1.99 CCOCCOCCC1CC1 7a_100000210136_100000764125 [0,1,0,1,0,0|2,0,0]=4 23234 B11R1.99 CCOCCOCCC1CC1 7a_100000754188_100011215890 [0,1,0,1,0,0|2,0,0]=4 23235 B11R1.99 CCOCCOCCC1CO1 34a_100000210136_100000732470 [0,1,0,1,0,0|1,0,0]=3 23236 B11R1.99 CCOCCOCCC1CO1 7a_100000210136_100000732470 [0,1,0,1,0,0|1,0,0]=3 23237 B11R1.99 CCOCCOCC[C@@H]1CO1 34a_100009820653_100000210147 [0,1,0,1,0,0|1,0,0]=3 23238 B11R1.99 CCOCCSCCC1CC1 62a_100000210147_100000764125 [0,1,0,1,0,0|2,0,0]=4 23239 B11R1.99 CCOCCSCCC1CC1 62a_100000764125_100011215890 [0,1,0,1,0,0|2,0,0]=4 23240 B11R1.99 CCOCCSCCC1CO1 62a_100000210147_100000732470 [0,1,0,1,0,0|1,0,0]=3 23241 B11R1.99 CCOCCSCCC1CO1 62a_100000732470_100011215890 [0,1,0,1,0,0|1,0,0]=3 23242 B11R1.99 CCOCSCCCC1CO1 62a_100000733510_100000739092 [0,1,0,1,0,0|1,0,0]=3 23243 B11R1.99 CCOCSCCCC1CO1 62a_100000739092_100000733510 [0,1,0,1,0,0|1,0,0]=3 23244 B11R1.99 CCSCCCOCC1CC1 34a_100011216438_100000742324 [0,1,0,1,0,0|2,0,0]=4 23245 B11R1.99 CCSCCCOCC1CC1 7a_100011216438_100000742324 [0,1,0,1,0,0|2,0,0]=4 23246 B11R1.99 CCSCCCOCC1CO1 34a_100011216438_102125554688 [0,1,0,1,0,0|1,0,0]=3 23247 B11R1.99 CCSCCCOCC1CO1 7a_100011216438_102125554688 [0,1,0,1,0,0|1,0,0]=3 23248 B11R1.99 CCSCCCOCC1CS1 7a_100011216438_100000031435 [0,1,0,1,0,0|1,1,0]=4 23249 B11R1.99 CCSCCCOC[C@@H]1CO1 7a_100011216438_100000745022 [0,1,0,1,0,0|1,0,0]=3 23250 B11R1.99 CCSCCNCCC1CC1 2230a_100000106463_100000694398 [0,1,0,1,0,0|2,0,0]=4 23251 B11R1.99 CCSCCNCCC1CC1 34a_100000764129_100000757381 [0,1,0,1,0,0|2,0,0]=4 23252 B11R1.99 CCSCCNCCC1CO1 2230a_100000106463_100000732470 [0,1,0,1,0,0|1,0,0]=3 23253 B11R1.99 CCSCCOCCC1CC1 34a_100000212035_100000694398 [0,1,0,1,0,0|2,0,0]=4 23254 B11R1.99 CCSCCOCCC1CC1 34a_100000754188_100000757381 [0,1,0,1,0,0|2,0,0]=4 23255 B11R1.99 CCSCCOCCC1CC1 7a_100000212035_100000764125 [0,1,0,1,0,0|2,0,0]=4 23256 B11R1.99 CCSCCOCCC1CC1 7a_100000754188_100000757381 [0,1,0,1,0,0|2,0,0]=4 23257 B11R1.99 CCSCCOCCC1CO1 34a_100000212035_100000732470 [0,1,0,1,0,0|1,0,0]=3 23258 B11R1.99 CCSCCOCCC1CO1 7a_100000212035_100000732470 [0,1,0,1,0,0|1,0,0]=3 23259 B11R1.99 CCSCCOCC[C@@H]1CO1 34a_100009820653_100000757381 [0,1,0,1,0,0|1,0,0]=3 23260 B11R1.99 CCSCCSCCC1CC1 62a_100000757381_100000764125 [0,1,0,1,0,0|2,0,0]=4 23261 B11R1.99 CCSCCSCCC1CC1 62a_100000764125_100000757381 [0,1,0,1,0,0|2,0,0]=4 23262 B11R1.99 CCSCCSCCC1CO1 62a_100000732470_100000757381 [0,1,0,1,0,0|1,0,0]=3 23263 B11R1.99 CCSCCSCCC1CO1 62a_100000757381_100000732470 [0,1,0,1,0,0|1,0,0]=3 23264 B11R1.99 CNCCCCCOC1CC1 34a_100000722520_100000211595 [0,1,0,1,0,0|2,0,0]=4 23265 B11R1.99 CNCCCOCCC1CC1 34a_100000213112_100000694398 [0,1,0,1,0,0|2,0,0]=4 23266 B11R1.99 CNCCCOCCC1CO1 34a_100000213112_100000732470 [0,1,0,1,0,0|1,0,0]=3 23267 B11R1.99 COCCCCCNC1CC1 34a_100000747528_100000211595 [0,1,0,1,0,0|1,0,0]=3 23268 B11R1.99 COCCCCNCC1CC1 2230a_100000735609_100000730899 [0,1,0,1,0,0|1,0,0]=3 23269 B11R1.99 COCCCCNCC1CC1 34a_100000735609_100000755781 [0,1,0,1,0,0|1,0,0]=3 23270 B11R1.99 COCCCCOCC1CC1 34a_100000211283_100000755781 [0,1,0,1,0,0|1,0,0]=3 23271 B11R1.99 COCCCCOCC1CC1 34a_100000740925_100000742324 [0,1,0,1,0,0|1,0,0]=3 23272 B11R1.99 COCCCCOCC1CO1 34a_100000740925_102125554688 [0,1,0,1,0,0|1,0,0]=3 23273 B11R1.99 COCCCCOCC1CO1 34a_100010889290_200000210301 [0,1,0,1,0,0|1,0,0]=3 23274 B11R1.99 COCCCCOCC1CO1 7a_100010889290_200000210301 [0,1,0,1,0,0|1,0,0]=3 23275 B11R1.99 COCCCCOC[C@@H]1CO1 34a_100000757423_100000755781 [0,1,0,1,0,0|1,0,0]=3 23276 B11R1.99 COCCCCSCC1CC1 62a_100000730899_100000742324 [0,1,0,1,0,0|1,0,0]=3 23277 B11R1.99 COCCCCSCC1CC1 62a_100000756562_100000730899 [0,1,0,1,0,0|1,0,0]=3 23278 B11R1.99 COCCCCSCC1CO1 62a_100000730899_102125554688 [0,1,0,1,0,0|1,0,0]=3 23279 B11R1.99 COCCCCSCC1CO1 62a_102125554688_100000730899 [0,1,0,1,0,0|1,0,0]=3 23280 B11R1.99 COCCCCSCC1CS1 62a_100000031435_100000730899 [0,1,0,1,0,0|1,1,0]=4 23281 B11R1.99 COCCCCSCC1CS1 62a_100000730899_100000031435 [0,1,0,1,0,0|1,1,0]=4 23282 B11R1.99 COCCCCSC[C@@H]1CO1 62a_100000730899_100000745022 [0,1,0,1,0,0|1,0,0]=3 23283 B11R1.99 COCCCCSC[C@@H]1CO1 62a_100000745022_100000730899 [0,1,0,1,0,0|1,0,0]=3 23284 B11R1.99 COCCCNCCC1CC1 34a_100000764129_100000740836 [0,1,0,1,0,0|1,0,0]=3 23285 B11R1.99 COCCCNCCC1CC1 34a_100150723488_100000694398 [0,1,0,1,0,0|1,0,0]=3 23286 B11R1.99 COCCCNCCC1CO1 34a_100150723488_100000732470 [0,1,0,1,0,0|1,0,0]=3 23287 B11R1.99 COCCCOCCC1CC1 34a_100000740835_100000694398 [0,1,0,1,0,0|1,0,0]=3 23288 B11R1.99 COCCCOCCC1CC1 34a_100000754188_100000740836 [0,1,0,1,0,0|1,0,0]=3 23289 B11R1.99 COCCCOCCC1CC1 7a_100000754188_100000740836 [0,1,0,1,0,0|1,0,0]=3 23290 B11R1.99 COCCCOCCC1CO1 34a_100000740835_100000732470 [0,1,0,1,0,0|1,0,0]=3 23291 B11R1.99 COCCCOCC[C@@H]1CO1 34a_100009820653_100000740836 [0,1,0,1,0,0|1,0,0]=3 23292 B11R1.99 COCCCSCCC1CC1 62a_100000709357_100000764125 [0,1,0,1,0,0|1,0,0]=3 23293 B11R1.99 COCCCSCCC1CC1 62a_100000764125_100000709357 [0,1,0,1,0,0|1,0,0]=3 23294 B11R1.99 COCCCSCCC1CO1 62a_100000709357_100000732470 [0,1,0,1,0,0|1,0,0]=3 23295 B11R1.99 COCCCSCCC1CO1 62a_100000732470_100000709357 [0,1,0,1,0,0|1,0,0]=3 23296 B11R1.99 COCCNCCCC1CO1 2230a_100000209980_100000733510 [0,1,0,1,0,0|1,0,0]=3 23297 B11R1.99 COCCOCCCC1CO1 34a_100000210237_100000733510 [0,1,0,1,0,0|1,0,0]=3 23298 B11R1.99 COCCOCCNC1CC1 34a_100000212008_100000695917 [0,1,0,1,0,0|2,0,0]=4 23299 B11R1.99 COCCOCCNC1CC1 34a_100000738766_100011201679 [0,1,0,1,0,0|2,0,0]=4 23300 B11R1.99 COCCOCCNC1CC1 34a_100000745349_100000211595 [0,1,0,1,0,0|2,0,0]=4 23301 B11R1.99 COCCOCCOC1CC1 34a_100011215163_100000211595 [0,1,0,1,0,0|2,0,0]=4 23302 B11R1.99 COCCOCCSC1CC1 62a_100000695917_100000211595 [0,1,0,1,0,0|2,0,0]=4 23303 B11R1.99 COCCOCNCC1CC1 2230a_100000735609_100000231047 [0,1,0,1,0,0|2,0,0]=4 23304 B11R1.99 COCCOCSCC1CC1 62a_100000231047_100000742324 [0,1,0,1,0,0|2,0,0]=4 23305 B11R1.99 COCCOCSCC1CC1 62a_100000756562_100000231047 [0,1,0,1,0,0|2,0,0]=4 23306 B11R1.99 COCCOCSCC1CO1 62a_100000231047_102125554688 [0,1,0,1,0,0|2,0,0]=4 23307 B11R1.99 COCCOCSCC1CO1 62a_102125554688_100000231047 [0,1,0,1,0,0|2,0,0]=4 23308 B11R1.99 COCCOCSC[C@@H]1CO1 62a_100000231047_100000745022 [0,1,0,1,0,0|2,0,0]=4 23309 B11R1.99 COCCOCSC[C@@H]1CO1 62a_100000745022_100000231047 [0,1,0,1,0,0|2,0,0]=4 23310 B11R1.99 COCCSCCCC1CO1 62a_100000233755_100000733510 [0,1,0,1,0,0|1,0,0]=3 23311 B11R1.99 COCCSCCCC1CO1 62a_100000733510_100000233755 [0,1,0,1,0,0|1,0,0]=3 23312 B11R1.99 CSCCCCOCC1CC1 34a_100011217163_100000742324 [0,1,0,1,0,0|1,1,0]=4 23313 B11R1.99 CSCCCCOCC1CC1 7a_100011217163_100000742324 [0,1,0,1,0,0|1,1,0]=4 23314 B11R1.99 CSCCCCOCC1CO1 34a_100011217163_102125554688 [0,1,0,1,0,0|1,0,0]=3 23315 B11R1.99 CSCCCCOCC1CO1 7a_100011217163_102125554688 [0,1,0,1,0,0|1,0,0]=3 23316 B11R1.99 CSCCCCOCC1CS1 7a_100011217163_100000031435 [0,1,0,1,0,0|1,1,0]=4 23317 B11R1.99 CSCCCCOC[C@@H]1CO1 7a_100011217163_100000745022 [0,1,0,1,0,0|1,0,0]=3 23318 B11R1.99 CSCCCNCCC1CC1 2230a_100000749238_100000694398 [0,1,0,1,0,0|1,1,0]=4 23319 B11R1.99 CSCCCNCCC1CO1 2230a_100000749238_100000732470 [0,1,0,1,0,0|1,0,0]=3 23320 B11R1.99 CSCCCOCCC1CC1 34a_100000690336_100000694398 [0,1,0,1,0,0|1,1,0]=4 23321 B11R1.99 CSCCCOCCC1CC1 7a_100000690336_100000764125 [0,1,0,1,0,0|1,1,0]=4 23322 B11R1.99 CSCCCOCCC1CO1 34a_100000690336_100000732470 [0,1,0,1,0,0|1,0,0]=3 23323 B11R1.99 CSCCCOCCC1CO1 7a_100000690336_100000732470 [0,1,0,1,0,0|1,0,0]=3 23324 B11R1.99 CSCCNCCCC1CO1 2230a_100020590264_100000733510 [0,1,0,1,0,0|1,0,0]=3 23325 B11R1.99 CSCCOCCCC1CO1 34a_100000230434_100000733510 [0,1,0,1,0,0|1,0,0]=3 23326 B11R1.99 CSCCOCCCC1CO1 7a_100000230434_100000733510 [0,1,0,1,0,0|1,0,0]=3 23327 B11R1.99 CSCCSCCCC1CO1 62a_100000212216_100000733510 [0,1,0,1,0,0|1,0,0]=3 23328 B11R1.99 CSCCSCCCC1CO1 62a_100000733510_100000751147 [0,1,0,1,0,0|1,0,0]=3 23329 B11R1.99 ClCCCCCCOC1CC1 34a_100000766143_100000211595 [0,1,0,1,0,0|1,0,0]=3 23330 B11R1.99 ClCCCCCOCC1CC1 34a_100000746330_100000742324 [0,1,0,1,0,0|1,0,0]=3 23331 B11R1.99 ClCCCCCOCC1CC1 7a_100000746330_100000742324 [0,1,0,1,0,0|1,0,0]=3 23332 B11R1.99 ClCCCCCOCC1CO1 34a_100000746330_102125554688 [0,1,0,1,0,0|1,0,0]=3 23333 B11R1.99 ClCCCCCOCC1CO1 7a_100000746330_102125554688 [0,1,0,1,0,0|1,0,0]=3 23334 B11R1.99 ClCCCCCOCC1CS1 7a_100000746330_100000031435 [0,1,0,1,0,0|1,1,0]=4 23335 B11R1.99 ClCCCCCOC[C@@H]1CO1 7a_100000746330_100000745022 [0,1,0,1,0,0|1,0,0]=3 23336 B11R1.99 ClCCCCOCCC1CC1 34a_100000210776_100000694398 [0,1,0,1,0,0|1,0,0]=3 23337 B11R1.99 ClCCCCOCCC1CC1 7a_100000210776_100000764125 [0,1,0,1,0,0|1,0,0]=3 23338 B11R1.99 ClCCCCOCCC1CO1 34a_100000210776_100000732470 [0,1,0,1,0,0|1,0,0]=3 23339 B11R1.99 ClCCCCOCCC1CO1 7a_100000210776_100000732470 [0,1,0,1,0,0|1,0,0]=3 23340 B11R1.99 ClCCCOCCCC1CO1 34a_100000230001_100000733510 [0,1,0,1,0,0|1,0,0]=3 23341 B11R1.99 ClCCOCCOCC1CC1 34a_100011215305_100000742324 [0,1,0,1,0,0|2,0,0]=4 23342 B11R1.99 ClCCOCCOCC1CC1 7a_100011215305_100000742324 [0,1,0,1,0,0|2,0,0]=4 23343 B11R1.99 ClCCOCCOCC1CO1 34a_100011215305_102125554688 [0,1,0,1,0,0|2,0,0]=4 23344 B11R1.99 ClCCOCCOCC1CO1 7a_100011215305_102125554688 [0,1,0,1,0,0|2,0,0]=4 23345 B11R1.99 ClCCOCCOC[C@@H]1CO1 7a_100011215305_100000745022 [0,1,0,1,0,0|2,0,0]=4 23346 B11R1.99 FCCCCCCNC1CC1 34a_100000212008_100015922095 [0,1,0,1,0,0|1,0,0]=3 23347 B11R1.99 FCCCCCCOC1CC1 34a_100000732779_100000211595 [0,1,0,1,0,0|1,0,0]=3 23348 B11R1.99 FCCCCCCSC1CC1 62a_100015922095_100000211595 [0,1,0,1,0,0|1,0,0]=3 23349 B11R1.99 FCCCCCNCC1CC1 2230a_100000735609_100000729378 [0,1,0,1,0,0|1,0,0]=3 23350 B11R1.99 FCCCCCNCC1CC1 34a_100000735609_100000729378 [0,1,0,1,0,0|1,0,0]=3 23351 B11R1.99 FCCCCCOCC1CC1 34a_100000211283_100000729378 [0,1,0,1,0,0|1,0,0]=3 23352 B11R1.99 FCCCCCOC[C@@H]1CO1 34a_100000757423_100000729378 [0,1,0,1,0,0|1,0,0]=3 23353 B11R1.99 FCCCCCSCC1CC1 62a_100000729378_100000742324 [0,1,0,1,0,0|1,0,0]=3 23354 B11R1.99 FCCCCCSCC1CC1 62a_100000756562_100000729378 [0,1,0,1,0,0|1,0,0]=3 23355 B11R1.99 FCCCCCSCC1CO1 62a_100000729378_102125554688 [0,1,0,1,0,0|1,0,0]=3 23356 B11R1.99 FCCCCCSCC1CO1 62a_102125554688_100000729378 [0,1,0,1,0,0|1,0,0]=3 23357 B11R1.99 FCCCCCSCC1CS1 62a_100000031435_100000729378 [0,1,0,1,0,0|1,1,0]=4 23358 B11R1.99 FCCCCCSCC1CS1 62a_100000729378_100000031435 [0,1,0,1,0,0|1,1,0]=4 23359 B11R1.99 FCCCCCSC[C@@H]1CO1 62a_100000729378_100000745022 [0,1,0,1,0,0|1,0,0]=3 23360 B11R1.99 FCCCCCSC[C@@H]1CO1 62a_100000745022_100000729378 [0,1,0,1,0,0|1,0,0]=3 23361 B11R1.99 FCCCCNCCC1CC1 34a_100000764129_100000729493 [0,1,0,1,0,0|1,0,0]=3 23362 B11R1.99 FCCCCOCCC1CC1 34a_100000754188_100000729493 [0,1,0,1,0,0|1,0,0]=3 23363 B11R1.99 FCCCCOCCC1CC1 34a_100011995726_100000694398 [0,1,0,1,0,0|1,0,0]=3 23364 B11R1.99 FCCCCOCCC1CC1 7a_100000754188_100000729493 [0,1,0,1,0,0|1,0,0]=3 23365 B11R1.99 FCCCCOCCC1CC1 7a_100011995726_100000764125 [0,1,0,1,0,0|1,0,0]=3 23366 B11R1.99 FCCCCOCCC1CO1 34a_100011995726_100000732470 [0,1,0,1,0,0|1,0,0]=3 23367 B11R1.99 FCCCCOCCC1CO1 7a_100011995726_100000732470 [0,1,0,1,0,0|1,0,0]=3 23368 B11R1.99 FCCCCOCC[C@@H]1CO1 34a_100009820653_100000729493 [0,1,0,1,0,0|1,0,0]=3 23369 B11R1.99 FCCCCSCCC1CC1 62a_100000729493_100000764125 [0,1,0,1,0,0|1,0,0]=3 23370 B11R1.99 FCCCCSCCC1CC1 62a_100000764125_100000729493 [0,1,0,1,0,0|1,0,0]=3 23371 B11R1.99 FCCCCSCCC1CO1 62a_100000729493_100000732470 [0,1,0,1,0,0|1,0,0]=3 23372 B11R1.99 FCCCCSCCC1CO1 62a_100000732470_100000729493 [0,1,0,1,0,0|1,0,0]=3 23373 B11R1.99 FCCCNCCCC1CO1 2230a_100015189416_100000733510 [0,1,0,1,0,0|1,0,0]=3 23374 B11R1.99 FCCCNCCCC1CO1 34a_100015189416_100000733510 [0,1,0,1,0,0|1,0,0]=3 23375 B11R1.99 FCCCOCCCC1CO1 34a_100000759539_100000733510 [0,1,0,1,0,0|1,0,0]=3 23376 B11R1.99 FCCCOCCNC1CC1 34a_100000738766_100011934791 [0,1,0,1,0,0|2,0,0]=4 23377 B11R1.99 FCCCSCCCC1CO1 62a_100000733510_100011934791 [0,1,0,1,0,0|1,0,0]=3 23378 B11R1.99 FCCCSCCCC1CO1 62a_100011934791_100000733510 [0,1,0,1,0,0|1,0,0]=3 23379 B11R1.99 FCCOCCOCC1CC1 34a_200015357709_100000742324 [0,1,0,1,0,0|2,0,0]=4 23380 B11R1.99 FCCOCCOCC1CC1 7a_200015357709_100000742324 [0,1,0,1,0,0|2,0,0]=4 23381 B11R1.99 FCCOCCOCC1CO1 34a_200015357709_102125554688 [0,1,0,1,0,0|2,0,0]=4 23382 B11R1.99 FCCOCCOCC1CO1 7a_200015357709_102125554688 [0,1,0,1,0,0|2,0,0]=4 23383 B11R1.99 FCCOCCOC[C@@H]1CO1 7a_200015357709_100000745022 [0,1,0,1,0,0|2,0,0]=4 23384 B11R1.99 ICCCCCOCC1CC1 34a_200012148887_100000742324 [0,1,0,1,0,0|1,0,0]=3 23385 B11R1.99 ICCCCCOCC1CC1 7a_200012148887_100000742324 [0,1,0,1,0,0|1,0,0]=3 23386 B11R1.99 ICCCCCOCC1CO1 34a_200012148887_102125554688 [0,1,0,1,0,0|1,0,0]=3 23387 B11R1.99 ICCCCCOCC1CO1 7a_200012148887_102125554688 [0,1,0,1,0,0|1,0,0]=3 23388 B11R1.99 ICCCCCOCC1CS1 7a_200012148887_100000031435 [0,1,0,1,0,0|1,1,0]=4 23389 B11R1.99 ICCCCCOC[C@@H]1CO1 7a_200012148887_100000745022 [0,1,0,1,0,0|1,0,0]=3 23390 B11R1.99 ICCCCOCCC1CC1 34a_200012148704_100000694398 [0,1,0,1,0,0|1,0,0]=3 23391 B11R1.99 ICCCCOCCC1CO1 34a_200012148704_100000732470 [0,1,0,1,0,0|1,0,0]=3 23392 B11R1.99 ICCOCCOCC1CC1 34a_100012149058_100000742324 [0,1,0,1,0,0|2,0,0]=4 23393 B11R1.99 ICCOCCOCC1CC1 7a_100012149058_100000742324 [0,1,0,1,0,0|2,0,0]=4 23394 B11R1.99 ICCOCCOCC1CO1 34a_100012149058_102125554688 [0,1,0,1,0,0|2,0,0]=4 23395 B11R1.99 ICCOCCOCC1CO1 7a_100012149058_102125554688 [0,1,0,1,0,0|2,0,0]=4 23396 B11R1.99 ICCOCCOC[C@@H]1CO1 7a_100012149058_100000745022 [0,1,0,1,0,0|2,0,0]=4 23397 B11R1.99 N#CCCCCCSC1CC1 62a_100009813376_100000211595 [0,1,0,1,0,0|1,0,1]=4 23398 B11R1.99 N#CCCCCNCC1CC1 2230a_100000735609_100000211819 [0,1,0,1,0,0|1,0,1]=4 23399 B11R1.99 N#CCCCCSCC1CC1 62a_100000756562_100000211819 [0,1,0,1,0,0|1,0,1]=4 23400 B11R1.99 N#CCCCCSCC1CC1 62a_100011219923_100000742324 [0,1,0,1,0,0|1,0,1]=4 23401 B11R1.99 N#CCCCCSCC1CO1 62a_100011219923_102125554688 [0,1,0,1,0,0|1,0,1]=4 23402 B11R1.99 N#CCCCCSCC1CO1 62a_102125554688_100000211819 [0,1,0,1,0,0|1,0,1]=4 23403 B11R1.99 N#CCCCCSC[C@@H]1CO1 62a_100000745022_100000211819 [0,1,0,1,0,0|1,0,1]=4 23404 B11R1.99 N#CCCCCSC[C@@H]1CO1 62a_100011219923_100000745022 [0,1,0,1,0,0|1,0,1]=4 23405 B11R1.99 N#CCCCOCCC1CC1 7a_100000754188_100000687738 [0,1,0,1,0,0|1,0,1]=4 23406 B11R1.99 N#CCCCSCCC1CC1 62a_100000687738_100000764125 [0,1,0,1,0,0|1,0,1]=4 23407 B11R1.99 N#CCCCSCCC1CC1 62a_100000764125_100000687738 [0,1,0,1,0,0|1,0,1]=4 23408 B11R1.99 N#CCCCSCCC1CO1 62a_100000687738_100000732470 [0,1,0,1,0,0|1,0,1]=4 23409 B11R1.99 N#CCCCSCCC1CO1 62a_100000732470_100000687738 [0,1,0,1,0,0|1,0,1]=4 23410 B11R1.99 N#CCCSCCCC1CO1 62a_100000733510_100011215226 [0,1,0,1,0,0|1,0,1]=4 23411 B11R1.99 N#CCCSCCCC1CO1 62a_100011215226_100000733510 [0,1,0,1,0,0|1,0,1]=4 23412 B11R1.99 NCCCCCCOC1CC1 34a_100000686447_100000211595 [0,1,0,1,0,0|1,0,0]=3 23413 B11R1.99 NCCCCCOCC1CC1 34a_100000762737_100000742324 [0,1,0,1,0,0|1,0,0]=3 23414 B11R1.99 NCCCCCOCC1CO1 34a_100000762737_102125554688 [0,1,0,1,0,0|1,0,0]=3 23415 B11R1.99 NCCCCOCCC1CC1 34a_100000750430_100000694398 [0,1,0,1,0,0|1,0,0]=3 23416 B11R1.99 NCCCCOCCC1CO1 34a_100000750430_100000732470 [0,1,0,1,0,0|1,0,0]=3 23417 B11R1.99 NCCCOCCCC1CO1 34a_100000182051_100000733510 [0,1,0,1,0,0|1,0,0]=3 23418 B11R1.99 NCCOCCOCC1CC1 34a_100000211614_100000742324 [0,1,0,1,0,0|2,0,0]=4 23419 B11R1.99 NCCOCCOCC1CO1 34a_100000211614_102125554688 [0,1,0,1,0,0|2,0,0]=4 23420 B11R1.99 NOCCOCCCC1CO1 34a_100000700252_100000733510 [0,1,0,1,0,0|2,0,0]=4 23421 B11R1.99 O=CCCCCCSC1CC1 62a_100000139337_100000211595 [0,1,0,1,0,0|0,0,2]=4 23422 B11R1.99 O=CCCCCNCC1CC1 2230a_100000735609_100000139335 [0,1,0,1,0,0|0,0,2]=4 23423 B11R1.99 O=CCCCCSCC1CC1 62a_100000139335_100000742324 [0,1,0,1,0,0|0,0,2]=4 23424 B11R1.99 O=CCCCCSCC1CC1 62a_100000756562_100000139335 [0,1,0,1,0,0|0,0,2]=4 23425 B11R1.99 O=CCCCCSCC1CO1 62a_100000139335_102125554688 [0,1,0,1,0,0|1,0,1]=4 23426 B11R1.99 O=CCCCCSCC1CO1 62a_102125554688_100000139335 [0,1,0,1,0,0|1,0,1]=4 23427 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000139335_100000745022 [0,1,0,1,0,0|1,0,1]=4 23428 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000745022_100000139335 [0,1,0,1,0,0|1,0,1]=4 23429 B11R1.99 O=CCCCOCCC1CC1 7a_100000754188_200011292268 [0,1,0,1,0,0|0,0,2]=4 23430 B11R1.99 O=CCCCSCCC1CC1 62a_100000764125_200011292268 [0,1,0,1,0,0|0,0,2]=4 23431 B11R1.99 O=CCCCSCCC1CC1 62a_200011292268_100000764125 [0,1,0,1,0,0|0,0,2]=4 23432 B11R1.99 O=CCCCSCCC1CO1 62a_100000732470_200011292268 [0,1,0,1,0,0|1,0,1]=4 23433 B11R1.99 O=CCCCSCCC1CO1 62a_200011292268_100000732470 [0,1,0,1,0,0|1,0,1]=4 23434 B11R1.99 OCC#CCNCCC1CC1 34a_100000764129_200000047223 [0,1,0,1,0,0|0,0,2]=4 23435 B11R1.99 OCC#CCOCCC1CC1 34a_100000754188_200000047223 [0,1,0,1,0,0|0,0,2]=4 23436 B11R1.99 OCC#CCOCCC1CC1 7a_100000754188_200000047223 [0,1,0,1,0,0|0,0,2]=4 23437 B11R1.99 OCC#CCSCCC1CC1 62a_100000764125_200000047223 [0,1,0,1,0,0|0,0,2]=4 23438 B11R1.99 OCC#CCSCCC1CC1 62a_200000047223_100000764125 [0,1,0,1,0,0|0,0,2]=4 23439 B11R1.99 OCCCCC=NNC1CC1 4a_100000701032_100000031955 [0,1,0,1,0,0|1,0,1]=4 23440 B11R1.99 OCCCCCCNC1CC1 34a_100000212008_100000766143 [0,1,0,1,0,0|0,0,0]=2 23441 B11R1.99 OCCCCCCNC1CC1 34a_100000686447_100000211595 [0,1,0,1,0,0|0,0,0]=2 23442 B11R1.99 OCCCCCCSC1CC1 62a_100000766143_100000211595 [0,1,0,1,0,0|0,0,0]=2 23443 B11R1.99 OCCCCCNCC1CC1 2230a_100000735609_100000746330 [0,1,0,1,0,0|0,0,0]=2 23444 B11R1.99 OCCCCCNCC1CC1 2230a_100000762737_100000742324 [0,1,0,1,0,0|0,0,0]=2 23445 B11R1.99 OCCCCCNCC1CC1 269862a_100000762737_100000741477 [0,1,0,1,0,0|0,0,0]=2 23446 B11R1.99 OCCCCCNCC1CC1 34a_100000735609_100000746330 [0,1,0,1,0,0|0,0,0]=2 23447 B11R1.99 OCCCCCNCC1CC1 34a_100000762737_100000742324 [0,1,0,1,0,0|0,0,0]=2 23448 B11R1.99 OCCCCCNCC1CO1 2230a_100000762737_100011216344 [0,1,0,1,0,0|1,0,0]=3 23449 B11R1.99 OCCCCCNCC1CO1 34a_100000762737_102125554688 [0,1,0,1,0,0|1,0,0]=3 23450 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [0,1,0,1,0,0|0,0,0]=2 23451 B11R1.99 OCCCCCOC[C@@H]1CO1 34a_100000757423_100000746330 [0,1,0,1,0,0|1,0,0]=3 23452 B11R1.99 OCCCCCSCC1CC1 62a_100000746330_100000742324 [0,1,0,1,0,0|0,0,0]=2 23453 B11R1.99 OCCCCCSCC1CC1 62a_100000756562_100000746330 [0,1,0,1,0,0|0,0,0]=2 23454 B11R1.99 OCCCCCSCC1CO1 62a_100000746330_102125554688 [0,1,0,1,0,0|1,0,0]=3 23455 B11R1.99 OCCCCCSCC1CO1 62a_102125554688_100000746330 [0,1,0,1,0,0|1,0,0]=3 23456 B11R1.99 OCCCCCSCC1CS1 62a_100000031435_100000746330 [0,1,0,1,0,0|1,0,0]=3 23457 B11R1.99 OCCCCCSCC1CS1 62a_100000746330_100000031435 [0,1,0,1,0,0|1,0,0]=3 23458 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000745022_100000746330 [0,1,0,1,0,0|1,0,0]=3 23459 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000746330_100000745022 [0,1,0,1,0,0|1,0,0]=3 23460 B11R1.99 OCCCCNCCC1CC1 2230a_100000750430_100000694398 [0,1,0,1,0,0|0,0,0]=2 23461 B11R1.99 OCCCCNCCC1CC1 34a_100000750430_100000694398 [0,1,0,1,0,0|0,0,0]=2 23462 B11R1.99 OCCCCNCCC1CC1 34a_100000764129_100011216708 [0,1,0,1,0,0|0,0,0]=2 23463 B11R1.99 OCCCCNCCC1CO1 2230a_100000750430_100000732470 [0,1,0,1,0,0|1,0,0]=3 23464 B11R1.99 OCCCCNCCC1CO1 34a_100000750430_100000732470 [0,1,0,1,0,0|1,0,0]=3 23465 B11R1.99 OCCCCOCCC1CC1 34a_100000754188_100011216708 [0,1,0,1,0,0|0,0,0]=2 23466 B11R1.99 OCCCCOCCC1CC1 7a_100000754188_100000210776 [0,1,0,1,0,0|0,0,0]=2 23467 B11R1.99 OCCCCOCC[C@@H]1CO1 34a_100009820653_100011216708 [0,1,0,1,0,0|1,0,0]=3 23468 B11R1.99 OCCCCSCCC1CC1 62a_100000210776_100000764125 [0,1,0,1,0,0|0,0,0]=2 23469 B11R1.99 OCCCCSCCC1CC1 62a_100000764125_100000210776 [0,1,0,1,0,0|0,0,0]=2 23470 B11R1.99 OCCCCSCCC1CO1 62a_100000210776_100000732470 [0,1,0,1,0,0|1,0,0]=3 23471 B11R1.99 OCCCCSCCC1CO1 62a_100000732470_100000210776 [0,1,0,1,0,0|1,0,0]=3 23472 B11R1.99 OCCCOCC#CC1CC1 34a_100000083941_100000230001 [0,1,0,1,0,0|0,0,2]=4 23473 B11R1.99 OCCCOCC#CC1CC1 7a_100000083941_100011215043 [0,1,0,1,0,0|0,0,2]=4 23474 B11R1.99 OCCCOCCNC1CC1 34a_100000738766_100000230001 [0,1,0,1,0,0|1,0,0]=3 23475 B11R1.99 OCCCSCC#CC1CC1 62a_100009895102_100011215043 [0,1,0,1,0,0|0,0,2]=4 23476 B11R1.99 OCCCSCC#CC1CC1 62a_100011215043_100009895102 [0,1,0,1,0,0|0,0,2]=4 23477 B11R1.99 OCCCSCCCC1CO1 62a_100000733510_100011215043 [0,1,0,1,0,0|1,0,0]=3 23478 B11R1.99 OCCCSCCCC1CO1 62a_100011215043_100000733510 [0,1,0,1,0,0|1,0,0]=3 23479 B11R1.99 OCCOCCNCC1CC1 2230a_100000211614_100000742324 [0,1,0,1,0,0|1,0,0]=3 23480 B11R1.99 OCCOCCNCC1CC1 2230a_100000735609_100011215305 [0,1,0,1,0,0|1,0,0]=3 23481 B11R1.99 OCCOCCNCC1CC1 269862a_100000211614_100000741477 [0,1,0,1,0,0|1,0,0]=3 23482 B11R1.99 OCCOCCNCC1CC1 34a_100000211614_100000742324 [0,1,0,1,0,0|1,0,0]=3 23483 B11R1.99 OCCOCCNCC1CC1 34a_100000735609_100000692535 [0,1,0,1,0,0|1,0,0]=3 23484 B11R1.99 OCCOCCNCC1CO1 2230a_100000211614_100011216344 [0,1,0,1,0,0|2,0,0]=4 23485 B11R1.99 OCCOCCNCC1CO1 34a_100000211614_102125554688 [0,1,0,1,0,0|2,0,0]=4 23486 B11R1.99 OCCOCCOCC1CC1 34a_100000211283_100000692535 [0,1,0,1,0,0|1,0,0]=3 23487 B11R1.99 OCCOCCOC[C@@H]1CO1 34a_100000757423_100000692535 [0,1,0,1,0,0|2,0,0]=4 23488 B11R1.99 OCCOCCSCC1CC1 62a_100000756562_100011215305 [0,1,0,1,0,0|1,0,0]=3 23489 B11R1.99 OCCOCCSCC1CC1 62a_100011215305_100000742324 [0,1,0,1,0,0|1,0,0]=3 23490 B11R1.99 OCCOCCSCC1CO1 62a_100011215305_102125554688 [0,1,0,1,0,0|2,0,0]=4 23491 B11R1.99 OCCOCCSCC1CO1 62a_102125554688_100011215305 [0,1,0,1,0,0|2,0,0]=4 23492 B11R1.99 OCCOCCSCC1CS1 62a_100000031435_100011215305 [0,1,0,1,0,0|2,0,0]=4 23493 B11R1.99 OCCOCCSCC1CS1 62a_100011215305_100000031435 [0,1,0,1,0,0|2,0,0]=4 23494 B11R1.99 OCCOCCSC[C@@H]1CO1 62a_100000745022_100011215305 [0,1,0,1,0,0|2,0,0]=4 23495 B11R1.99 OCCOCCSC[C@@H]1CO1 62a_100011215305_100000745022 [0,1,0,1,0,0|2,0,0]=4 23496 B11R1.99 OCCSCCNCC1CC1 2230a_100011219999_100000742324 [0,1,0,1,0,0|1,0,0]=3 23497 B11R1.99 OCCSCCNCC1CC1 269862a_100011219999_100000741477 [0,1,0,1,0,0|1,0,0]=3 23498 B11R1.99 OCCSCCNCC1CO1 2230a_100011219999_100011216344 [0,1,0,1,0,0|2,0,0]=4 23499 B11R1.99 [13CH3]OCCCCOCC1CO1 34a_100010889290_200025704644 [0,1,0,1,0,0|1,0,0]=3 23500 B11R1.99 [13CH3]OCCCCOCC1CO1 7a_100010889290_200025704644 [0,1,0,1,0,0|1,0,0]=3 23501 B11R1.102 CC(C)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011214892 [0,1,0,1,0,0|2,0,0]=4 23502 B11R1.102 CC(C)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011214892 [0,1,0,1,0,0|2,0,0]=4 23503 B11R1.102 CC(C)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100011214892 [0,1,0,1,0,0|2,0,0]=4 23504 B11R1.102 CC(C)CCOCC1CC1C 34a_100000744939_100000210312 [0,1,0,1,0,0|2,0,0]=4 23505 B11R1.102 CC(C)CCOCC1CC1C 7a_100000744939_100000210626 [0,1,0,1,0,0|2,0,0]=4 23506 B11R1.102 CC(O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200000718107 [0,1,0,1,0,0|2,0,0]=4 23507 B11R1.102 CC(O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_200000718107 [0,1,0,1,0,0|2,0,0]=4 23508 B11R1.102 CC(O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_200000718107 [0,1,0,1,0,0|2,0,0]=4 23509 B11R1.102 CC(O)CCOCC1CC1C 34a_100000744939_100012276601 [0,1,0,1,0,0|1,0,0]=3 23510 B11R1.102 CC(O)CCOCC1CC1C 7a_100000744939_100012276601 [0,1,0,1,0,0|1,0,0]=3 23511 B11R1.113 COCC1CCN1CC(C)O 2230a_100015195929_100011218427 [0,1,0,1,0,0|2,0,0]=4 23512 B11R1.113 COCC1CCN1CC(C)O 269982a_100015195929_100011218427 [0,1,0,1,0,0|2,0,0]=4 23513 B11R1.113 COCC1CCN1CC(C)O 34a_100015195929_100011218427 [0,1,0,1,0,0|2,0,0]=4 23514 B11R1.113 COCC1CCN1C[C@@H](C)O 2230a_100015195929_100009817552 [0,1,0,1,0,0|2,0,0]=4 23515 B11R1.113 COCC1CCN1C[C@@H](C)O 269982a_100015195929_100009817552 [0,1,0,1,0,0|2,0,0]=4 23516 B11R1.113 COCC1CCN1C[C@@H](C)O 34a_100015195929_100009817552 [0,1,0,1,0,0|2,0,0]=4 23517 B11R1.143 CC(C)C1CCCCCN1C 2230a_100000697956_200000210301 [0,1,0,1,0,0|2,0,0]=4 23518 B11R1.143 CC(C)C1CCCCCN1C 269982a_100000697956_200000210301 [0,1,0,1,0,0|2,0,0]=4 23519 B11R1.143 CC(C)C1CCCCCN1C 34a_100000697956_200000210301 [0,1,0,1,0,0|2,0,0]=4 23520 B11R1.143 CC(C)C1CCCCCN1[13CH3] 2230a_100000697956_200025704644 [0,1,0,1,0,0|2,0,0]=4 23521 B11R1.143 CC(C)C1CCCCCN1[13CH3] 269982a_100000697956_200025704644 [0,1,0,1,0,0|2,0,0]=4 23522 B11R1.143 CC(C)C1CCCCCN1[13CH3] 34a_100000697956_200025704644 [0,1,0,1,0,0|2,0,0]=4 23523 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,1,0,1,0,0|1,0,1]=4 23524 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,1,0,1,0,0|1,0,1]=4 23525 B11R1.161 CC(C)CCCN1CCC1C 269982a_100000755817_100011214892 [0,1,0,1,0,0|2,0,0]=4 23526 B11R1.161 CC(C)CCCN1CCC1C 34a_100000755817_100011214892 [0,1,0,1,0,0|2,0,0]=4 23527 B11R1.161 CC(O)CCCN1CCC1C 269982a_100000755817_200000718107 [0,1,0,1,0,0|1,0,0]=3 23528 B11R1.161 CC(O)CCCN1CCC1C 34a_100000755817_200000718107 [0,1,0,1,0,0|1,0,0]=3 23529 B11R1.172 C=C(C)CCOC1CCCO1 34a_100000085407_100000730704 [0,1,0,1,0,0|1,0,1]=4 23530 B11R1.172 C=C(C)CNC[C@@H]1CCCO1 2230a_100020590478_100000748629 [0,1,0,1,0,0|1,0,1]=4 23531 B11R1.172 C=C(C)CNC[C@@H]1CCCO1 34a_100020590478_100000748629 [0,1,0,1,0,0|1,0,1]=4 23532 B11R1.172 C=C(C)COCC1CCCO1 34a_100000210270_100000748629 [0,1,0,1,0,0|1,0,1]=4 23533 B11R1.172 C=C(C)COCC1CCCO1 7a_100000210270_100000748629 [0,1,0,1,0,0|1,0,1]=4 23534 B11R1.172 C=C(C)CSCC1CCCO1 62a_100000203698_100000211660 [0,1,0,1,0,0|1,0,1]=4 23535 B11R1.172 C=C(C)CSCC1CCCO1 62a_100000748629_100000203698 [0,1,0,1,0,0|1,0,1]=4 23536 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,1,0,1,0,0|0,0,2]=4 23537 B11R1.172 CC(=O)CCCC1OCCO1 1458a_100000070787_100000042513 [0,1,0,1,0,0|1,0,1]=4 23538 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [0,1,0,1,0,0|1,0,1]=4 23539 B11R1.172 CC(=O)CSCC1CCCO1 1458a_100000217298_200000210301 [0,1,0,1,0,0|1,0,1]=4 23540 B11R1.172 CC(Br)CCOC1CCCC1 34a_100009893172_100000179811 [0,1,0,1,0,0|2,0,0]=4 23541 B11R1.172 CC(Br)COCC1CCCC1 34a_100012180447_100000740388 [0,1,0,1,0,0|2,0,0]=4 23542 B11R1.172 CC(Br)COCC1OCCO1 34a_100012180447_100000755774 [0,1,0,1,0,0|2,0,0]=4 23543 B11R1.172 CC(C)CCCN1CCCC1 2230a_100000188435_100011214892 [0,1,0,1,0,0|2,0,0]=4 23544 B11R1.172 CC(C)CCCN1CCCC1 269982a_100000188435_100011214892 [0,1,0,1,0,0|2,0,0]=4 23545 B11R1.172 CC(C)CCNC1CCCC1 2230a_100000211070_100000210312 [0,1,0,1,0,0|2,0,0]=4 23546 B11R1.172 CC(C)CCNC1CCCC1 269862a_100000211070_100000185833 [0,1,0,1,0,0|2,0,0]=4 23547 B11R1.172 CC(C)CCNC1CCCC1 270004a_100000210545_100000210133 [0,1,0,1,0,0|2,0,0]=4 23548 B11R1.172 CC(C)CCNC1CCCC1 34a_100000211070_100000210312 [0,1,0,1,0,0|2,0,0]=4 23549 B11R1.172 CC(C)CCOC1CCCC1 34a_100000210254_100000179811 [0,1,0,1,0,0|2,0,0]=4 23550 B11R1.172 CC(C)CCOC1CCCC1 34a_100000210269_100000210312 [0,1,0,1,0,0|2,0,0]=4 23551 B11R1.172 CC(C)CCOC1CCCC1 7a_100000210254_100000179811 [0,1,0,1,0,0|2,0,0]=4 23552 B11R1.172 CC(C)CCOC1CCCC1 7a_100000210269_100000210626 [0,1,0,1,0,0|2,0,0]=4 23553 B11R1.172 CC(C)CCOC1CCCO1 34a_100000085407_100000210312 [0,1,0,1,0,0|1,0,0]=3 23554 B11R1.172 CC(C)CCSC1CCCC1 62a_100000210312_100000179811 [0,1,0,1,0,0|2,0,0]=4 23555 B11R1.172 CC(C)CCSC1CCCC1 62a_100011217020_100000210312 [0,1,0,1,0,0|2,0,0]=4 23556 B11R1.172 CC(C)CNCC1CCCC1 2230a_100000210953_100000740388 [0,1,0,1,0,0|2,0,0]=4 23557 B11R1.172 CC(C)CNCC1CCCC1 2230a_100000737975_100000210760 [0,1,0,1,0,0|2,0,0]=4 23558 B11R1.172 CC(C)CNCC1CCCC1 269862a_100000210953_100000746403 [0,1,0,1,0,0|2,0,0]=4 23559 B11R1.172 CC(C)CNCC1CCCC1 270004a_100000737975_100000210432 [0,1,0,1,0,0|2,0,0]=4 23560 B11R1.172 CC(C)CNCC1CCCC1 34a_100000210953_100000740388 [0,1,0,1,0,0|2,0,0]=4 23561 B11R1.172 CC(C)CNCC1CCCC1 34a_100000737975_100000210624 [0,1,0,1,0,0|2,0,0]=4 23562 B11R1.172 CC(C)CNCC1CCCO1 2230a_100000210953_100000203698 [0,1,0,1,0,0|1,0,0]=3 23563 B11R1.172 CC(C)CNCC1OCCO1 2230a_100000036311_100000210760 [0,1,0,1,0,0|2,0,0]=4 23564 B11R1.172 CC(C)CNCC1OCCO1 2230a_100000210953_100000755774 [0,1,0,1,0,0|2,0,0]=4 23565 B11R1.172 CC(C)CNCC1OCCO1 270004a_100000036311_100000210432 [0,1,0,1,0,0|2,0,0]=4 23566 B11R1.172 CC(C)CNCC1OCCO1 34a_100000036311_100000210624 [0,1,0,1,0,0|2,0,0]=4 23567 B11R1.172 CC(C)CNCC1OCCO1 34a_100000210953_100000755774 [0,1,0,1,0,0|2,0,0]=4 23568 B11R1.172 CC(C)CNC[C@@H]1CCCO1 2230a_100020590478_100000210760 [0,1,0,1,0,0|1,0,0]=3 23569 B11R1.172 CC(C)CNC[C@@H]1CCCO1 270004a_100020590478_100000210432 [0,1,0,1,0,0|1,0,0]=3 23570 B11R1.172 CC(C)CNC[C@@H]1CCCO1 34a_100020590478_100000210624 [0,1,0,1,0,0|1,0,0]=3 23571 B11R1.172 CC(C)COCC1CCCC1 34a_100000210257_100000740388 [0,1,0,1,0,0|2,0,0]=4 23572 B11R1.172 CC(C)COCC1CCCC1 34a_100000742336_100000210624 [0,1,0,1,0,0|2,0,0]=4 23573 B11R1.172 CC(C)COCC1CCCC1 7a_100000742336_100000210760 [0,1,0,1,0,0|2,0,0]=4 23574 B11R1.172 CC(C)COCC1CCCO1 34a_100000210270_100000210624 [0,1,0,1,0,0|1,0,0]=3 23575 B11R1.172 CC(C)COCC1CCCO1 7a_100000210270_100000210760 [0,1,0,1,0,0|1,0,0]=3 23576 B11R1.172 CC(C)COCC1COCO1 34a_100011216627_100000210624 [0,1,0,1,0,0|2,0,0]=4 23577 B11R1.172 CC(C)COCC1OCCO1 34a_100000087154_100000210624 [0,1,0,1,0,0|2,0,0]=4 23578 B11R1.172 CC(C)COCC1OCCO1 34a_100000210257_100000755774 [0,1,0,1,0,0|2,0,0]=4 23579 B11R1.172 CC(C)COC[C@H]1CCCN1 34a_100000745186_100000210624 [0,1,0,1,0,0|2,0,0]=4 23580 B11R1.172 CC(C)CSCC1CCCC1 62a_100000210624_100000740388 [0,1,0,1,0,0|2,0,0]=4 23581 B11R1.172 CC(C)CSCC1CCCC1 62a_100000740388_100000210760 [0,1,0,1,0,0|2,0,0]=4 23582 B11R1.172 CC(C)CSCC1CCCO1 62a_100000203698_100000210760 [0,1,0,1,0,0|1,0,0]=3 23583 B11R1.172 CC(C)CSCC1CCCO1 62a_100000210624_100000203698 [0,1,0,1,0,0|1,0,0]=3 23584 B11R1.172 CC(C)CSCC1OCCO1 62a_100000210624_100000755774 [0,1,0,1,0,0|2,0,0]=4 23585 B11R1.172 CC(C)CSCC1OCCO1 62a_100000755774_100000210760 [0,1,0,1,0,0|2,0,0]=4 23586 B11R1.172 CC(C)NCCC1CCCC1 2230a_100000739158_100000210206 [0,1,0,1,0,0|2,0,0]=4 23587 B11R1.172 CC(C)NCCC1CCCC1 2230a_100138425928_100000760354 [0,1,0,1,0,0|2,0,0]=4 23588 B11R1.172 CC(C)NCCC1CCCC1 34a_100000739158_100000210206 [0,1,0,1,0,0|2,0,0]=4 23589 B11R1.172 CC(C)NCCC1CCCC1 34a_100138425928_100000760354 [0,1,0,1,0,0|2,0,0]=4 23590 B11R1.172 CC(C)NCCC1OCCO1 2230a_100000034215_100000210206 [0,1,0,1,0,0|2,0,0]=4 23591 B11R1.172 CC(C)NCCC1OCCO1 2230a_100138425928_100000740749 [0,1,0,1,0,0|2,0,0]=4 23592 B11R1.172 CC(C)NCCC1OCCO1 34a_100000034215_100000210206 [0,1,0,1,0,0|2,0,0]=4 23593 B11R1.172 CC(C)NCCC1OCCO1 34a_100138425928_100000740749 [0,1,0,1,0,0|2,0,0]=4 23594 B11R1.172 CC(C)OCCC1CCCC1 34a_100000212225_100000760354 [0,1,0,1,0,0|2,0,0]=4 23595 B11R1.172 CC(C)OCCC1CCCC1 34a_100000749090_100000210206 [0,1,0,1,0,0|2,0,0]=4 23596 B11R1.172 CC(C)OCCC1CCCC1 7a_100000749090_100000210206 [0,1,0,1,0,0|2,0,0]=4 23597 B11R1.172 CC(C)OCCC1OCCO1 34a_100000212225_100000740749 [0,1,0,1,0,0|2,0,0]=4 23598 B11R1.172 CC(C)OCOC1CCCO1 34a_100000085407_100000709892 [0,1,0,1,0,0|2,0,0]=4 23599 B11R1.172 CC(C)SCCC1CCCC1 62a_100000210206_100000760354 [0,1,0,1,0,0|2,0,0]=4 23600 B11R1.172 CC(C)SCCC1CCCC1 62a_100000760354_100000210206 [0,1,0,1,0,0|2,0,0]=4 23601 B11R1.172 CC(C)SCCC1OCCO1 62a_100000210206_100000740749 [0,1,0,1,0,0|2,0,0]=4 23602 B11R1.172 CC(F)COCC1CCCC1 34a_100015925927_100000740388 [0,1,0,1,0,0|2,0,0]=4 23603 B11R1.172 CC(F)COCC1OCCO1 34a_100015925927_100000755774 [0,1,0,1,0,0|2,0,0]=4 23604 B11R1.172 CC(O)CCCN1CCCC1 2230a_100000188435_200000718107 [0,1,0,1,0,0|1,0,0]=3 23605 B11R1.172 CC(O)CCCN1CCCC1 269982a_100000188435_200000718107 [0,1,0,1,0,0|1,0,0]=3 23606 B11R1.172 CC(O)CCCN1CCSC1 2230a_100011215254_200000718107 [0,1,0,1,0,0|2,0,0]=4 23607 B11R1.172 CC(O)CCCN1CCSC1 269982a_100011215254_200000718107 [0,1,0,1,0,0|2,0,0]=4 23608 B11R1.172 CC(O)CCNC1CCCC1 2230a_100000211070_100012276601 [0,1,0,1,0,0|1,0,0]=3 23609 B11R1.172 CC(O)CCNC1CCCC1 2230a_200000755665_100000179811 [0,1,0,1,0,0|1,0,0]=3 23610 B11R1.172 CC(O)CCNC1CCCC1 270004a_200000755665_100000210133 [0,1,0,1,0,0|1,0,0]=3 23611 B11R1.172 CC(O)CCNC1CCCC1 34a_100000211070_100012276601 [0,1,0,1,0,0|1,0,0]=3 23612 B11R1.172 CC(O)CCNC1CCOC1 2230a_200000755665_100000731011 [0,1,0,1,0,0|2,0,0]=4 23613 B11R1.172 CC(O)CCNC1CCOC1 270004a_200000755665_100000752484 [0,1,0,1,0,0|2,0,0]=4 23614 B11R1.172 CC(O)CCNC1CCSC1 270004a_200000755665_100000212027 [0,1,0,1,0,0|2,0,0]=4 23615 B11R1.172 CC(O)CCN[C@@H]1CCOC1 2230a_200015188469_100012276601 [0,1,0,1,0,0|2,0,0]=4 23616 B11R1.172 CC(O)CCN[C@H]1CCOC1 2230a_100015188467_100012276601 [0,1,0,1,0,0|2,0,0]=4 23617 B11R1.172 CC(O)CCN[C@H]1CCOC1 34a_100015188467_100012276601 [0,1,0,1,0,0|2,0,0]=4 23618 B11R1.172 CC(O)CCOC1CCCC1 34a_100000210269_100012276601 [0,1,0,1,0,0|1,0,0]=3 23619 B11R1.172 CC(O)CCOC1CCCC1 7a_100000210269_100012276601 [0,1,0,1,0,0|1,0,0]=3 23620 B11R1.172 CC(O)CCOC1CCCO1 34a_100000085407_100012276601 [0,1,0,1,0,0|1,0,0]=3 23621 B11R1.172 CC(O)CCOC1CCSC1 7a_100011232664_100012276601 [0,1,0,1,0,0|2,0,0]=4 23622 B11R1.172 CC(O)CCO[C@H]1CCOC1 34a_100000717292_100012276601 [0,1,0,1,0,0|2,0,0]=4 23623 B11R1.172 CC(O)CCSC1CCCC1 62a_100011217020_100012276601 [0,1,0,1,0,0|1,0,0]=3 23624 B11R1.172 CC(O)CCSC1CCCC1 62a_100012276601_100000179811 [0,1,0,1,0,0|1,0,0]=3 23625 B11R1.172 CC(O)CCSC1CCOC1 62a_100012276601_100000690089 [0,1,0,1,0,0|2,0,0]=4 23626 B11R1.172 CC(O)CNCC1CCCC1 2230a_100000210904_100000740388 [0,1,0,1,0,0|1,0,0]=3 23627 B11R1.172 CC(O)CNCC1CCCC1 2230a_100000737975_100011218427 [0,1,0,1,0,0|1,0,0]=3 23628 B11R1.172 CC(O)CNCC1CCCC1 269862a_100000210904_100000746403 [0,1,0,1,0,0|1,0,0]=3 23629 B11R1.172 CC(O)CNCC1CCCC1 34a_100000210904_100000740388 [0,1,0,1,0,0|1,0,0]=3 23630 B11R1.172 CC(O)CNCC1CCCC1 34a_100000737975_100011218427 [0,1,0,1,0,0|1,0,0]=3 23631 B11R1.172 CC(O)CNCC1CCCO1 2230a_100000210904_100000203698 [0,1,0,1,0,0|1,0,0]=3 23632 B11R1.172 CC(O)CNCC1CCOC1 2230a_100000210904_100000702531 [0,1,0,1,0,0|2,0,0]=4 23633 B11R1.172 CC(O)CNCC1CCOC1 2230a_100000737293_100011218427 [0,1,0,1,0,0|2,0,0]=4 23634 B11R1.172 CC(O)CNCC1CCOC1 34a_100000210904_100011261433 [0,1,0,1,0,0|2,0,0]=4 23635 B11R1.172 CC(O)CNCC1CCOC1 34a_100000737293_100011218427 [0,1,0,1,0,0|2,0,0]=4 23636 B11R1.172 CC(O)CNCC1OCCO1 2230a_100000036311_100011218427 [0,1,0,1,0,0|2,0,0]=4 23637 B11R1.172 CC(O)CNCC1OCCO1 2230a_100000210904_100000755774 [0,1,0,1,0,0|2,0,0]=4 23638 B11R1.172 CC(O)CNCC1OCCO1 34a_100000036311_100011218427 [0,1,0,1,0,0|2,0,0]=4 23639 B11R1.172 CC(O)CNCC1OCCO1 34a_100000210904_100000755774 [0,1,0,1,0,0|2,0,0]=4 23640 B11R1.172 CC(O)CNC[C@@H]1CCCO1 2230a_100020590478_100011218427 [0,1,0,1,0,0|1,0,0]=3 23641 B11R1.172 CC(O)CNC[C@@H]1CCCO1 34a_100020590478_100011218427 [0,1,0,1,0,0|1,0,0]=3 23642 B11R1.172 CC(O)COCC1CCCC1 34a_100000742336_100011218427 [0,1,0,1,0,0|1,0,0]=3 23643 B11R1.172 CC(O)COCC1CCCC1 7a_100000742336_100011218427 [0,1,0,1,0,0|1,0,0]=3 23644 B11R1.172 CC(O)COCC1CCCO1 34a_100000210270_100011218427 [0,1,0,1,0,0|1,0,0]=3 23645 B11R1.172 CC(O)COCC1CCCO1 7a_100000210270_100011218427 [0,1,0,1,0,0|1,0,0]=3 23646 B11R1.172 CC(O)COCC1CCNC1 34a_100000748654_100011218427 [0,1,0,1,0,0|2,0,0]=4 23647 B11R1.172 CC(O)COCC1CCOC1 34a_100000740260_100011218427 [0,1,0,1,0,0|2,0,0]=4 23648 B11R1.172 CC(O)COCC1COCO1 34a_100011216627_100011218427 [0,1,0,1,0,0|2,0,0]=4 23649 B11R1.172 CC(O)COCC1OCCO1 34a_100000087154_100011218427 [0,1,0,1,0,0|2,0,0]=4 23650 B11R1.172 CC(O)COC[C@H]1CCCN1 34a_100000745186_100011218427 [0,1,0,1,0,0|2,0,0]=4 23651 B11R1.172 CC(O)CSCC1CCCC1 62a_100000740388_100011218427 [0,1,0,1,0,0|1,0,0]=3 23652 B11R1.172 CC(O)CSCC1CCCC1 62a_100011218427_100000740388 [0,1,0,1,0,0|1,0,0]=3 23653 B11R1.172 CC(O)CSCC1CCCO1 62a_100000203698_100011218427 [0,1,0,1,0,0|1,0,0]=3 23654 B11R1.172 CC(O)CSCC1CCCO1 62a_100011218427_100000203698 [0,1,0,1,0,0|1,0,0]=3 23655 B11R1.172 CC(O)CSCC1CCOC1 62a_100000702531_100011218427 [0,1,0,1,0,0|2,0,0]=4 23656 B11R1.172 CC(O)CSCC1CCOC1 62a_100011218427_100000702531 [0,1,0,1,0,0|2,0,0]=4 23657 B11R1.172 CC(O)CSCC1OCCO1 62a_100000755774_100011218427 [0,1,0,1,0,0|2,0,0]=4 23658 B11R1.172 CC(O)CSCC1OCCO1 62a_100011218427_100000755774 [0,1,0,1,0,0|2,0,0]=4 23659 B11R1.172 CN(C)CCCC1CCCC1 2230a_100015186261_200000210301 [0,1,0,1,0,0|2,0,0]=4 23660 B11R1.172 CN(C)CCCC1CCCC1 2230a_100102631434_100011713738 [0,1,0,1,0,0|2,0,0]=4 23661 B11R1.172 CN(C)CCCC1CCCC1 269982a_100015186261_200000210301 [0,1,0,1,0,0|2,0,0]=4 23662 B11R1.172 CN(C)CCCC1CCCC1 269982a_100102631434_100011713738 [0,1,0,1,0,0|2,0,0]=4 23663 B11R1.172 CN(C)CCCC1CCCC1 34a_100015186261_200000210301 [0,1,0,1,0,0|2,0,0]=4 23664 B11R1.172 CN(C)CCCC1CCCO1 2230a_100011698863_200000210301 [0,1,0,1,0,0|1,0,0]=3 23665 B11R1.172 CN(C)CCCC1CCCO1 269982a_100011698863_200000210301 [0,1,0,1,0,0|1,0,0]=3 23666 B11R1.172 CN(C)CCCC1CCCO1 34a_100011698863_200000210301 [0,1,0,1,0,0|1,0,0]=3 23667 B11R1.172 CN(C)CCCC1OCCO1 2230a_100102631434_100000042513 [0,1,0,1,0,0|2,0,0]=4 23668 B11R1.172 CN(C)CCCC1OCCO1 269982a_100102631434_100000042513 [0,1,0,1,0,0|2,0,0]=4 23669 B11R1.172 CN([13CH3])CCCC1CCCC1 2230a_100015186261_200025704644 [0,1,0,1,0,0|2,0,0]=4 23670 B11R1.172 CN([13CH3])CCCC1CCCC1 269982a_100015186261_200025704644 [0,1,0,1,0,0|2,0,0]=4 23671 B11R1.172 CN([13CH3])CCCC1CCCC1 34a_100015186261_200025704644 [0,1,0,1,0,0|2,0,0]=4 23672 B11R1.172 CN([13CH3])CCCC1CCCO1 2230a_100011698863_200025704644 [0,1,0,1,0,0|1,0,0]=3 23673 B11R1.172 CN([13CH3])CCCC1CCCO1 269982a_100011698863_200025704644 [0,1,0,1,0,0|1,0,0]=3 23674 B11R1.172 CN([13CH3])CCCC1CCCO1 34a_100011698863_200025704644 [0,1,0,1,0,0|1,0,0]=3 23675 B11R1.172 C[C@@H](Cl)COCC1CCCC1 34a_100016084084_100000740388 [0,1,0,1,0,0|2,0,0]=4 23676 B11R1.172 C[C@@H](Cl)COCC1OCCO1 34a_100016084084_100000755774 [0,1,0,1,0,0|2,0,0]=4 23677 B11R1.172 C[C@@H](N)CCOC1CCCC1 34a_100000706166_100000179811 [0,1,0,1,0,0|2,0,0]=4 23678 B11R1.172 C[C@@H](N)COCC1CCCC1 34a_100000737577_100000740388 [0,1,0,1,0,0|2,0,0]=4 23679 B11R1.172 C[C@@H](N)COCC1OCCO1 34a_100000737577_100000755774 [0,1,0,1,0,0|2,0,0]=4 23680 B11R1.172 C[C@@H](O)CNCC1CCCC1 2230a_100000737975_100009817552 [0,1,0,1,0,0|1,0,0]=3 23681 B11R1.172 C[C@@H](O)CNCC1CCCC1 34a_100000737975_100009817552 [0,1,0,1,0,0|1,0,0]=3 23682 B11R1.172 C[C@@H](O)CNCC1CCOC1 2230a_100000737293_100009817552 [0,1,0,1,0,0|2,0,0]=4 23683 B11R1.172 C[C@@H](O)CNCC1CCOC1 34a_100000737293_100009817552 [0,1,0,1,0,0|2,0,0]=4 23684 B11R1.172 C[C@@H](O)CNCC1OCCO1 2230a_100000036311_100009817552 [0,1,0,1,0,0|2,0,0]=4 23685 B11R1.172 C[C@@H](O)CNCC1OCCO1 34a_100000036311_100009817552 [0,1,0,1,0,0|2,0,0]=4 23686 B11R1.172 C[C@@H](O)CNC[C@@H]1CCCO1 2230a_100020590478_100009817552 [0,1,0,1,0,0|1,0,0]=3 23687 B11R1.172 C[C@@H](O)CNC[C@@H]1CCCO1 34a_100020590478_100009817552 [0,1,0,1,0,0|1,0,0]=3 23688 B11R1.172 C[C@@H](O)COCC1CCCC1 34a_100000742336_100009817552 [0,1,0,1,0,0|1,0,0]=3 23689 B11R1.172 C[C@@H](O)COCC1CCCC1 7a_100000742336_100009817552 [0,1,0,1,0,0|1,0,0]=3 23690 B11R1.172 C[C@@H](O)COCC1CCCO1 34a_100000210270_100009817552 [0,1,0,1,0,0|1,0,0]=3 23691 B11R1.172 C[C@@H](O)COCC1CCCO1 7a_100000210270_100009817552 [0,1,0,1,0,0|1,0,0]=3 23692 B11R1.172 C[C@@H](O)COCC1CCNC1 34a_100000748654_100009817552 [0,1,0,1,0,0|2,0,0]=4 23693 B11R1.172 C[C@@H](O)COCC1CCOC1 34a_100000740260_100009817552 [0,1,0,1,0,0|2,0,0]=4 23694 B11R1.172 C[C@@H](O)COCC1COCO1 34a_100011216627_100009817552 [0,1,0,1,0,0|2,0,0]=4 23695 B11R1.172 C[C@@H](O)COCC1OCCO1 34a_100000087154_100009817552 [0,1,0,1,0,0|2,0,0]=4 23696 B11R1.172 C[C@@H](O)COC[C@H]1CCCN1 34a_100000745186_100009817552 [0,1,0,1,0,0|2,0,0]=4 23697 B11R1.172 C[C@@H](O)CSCC1CCCC1 62a_100000740388_100009817552 [0,1,0,1,0,0|1,0,0]=3 23698 B11R1.172 C[C@@H](O)CSCC1CCCC1 62a_100009817552_100000740388 [0,1,0,1,0,0|1,0,0]=3 23699 B11R1.172 C[C@@H](O)CSCC1CCCO1 62a_100000203698_100009817552 [0,1,0,1,0,0|1,0,0]=3 23700 B11R1.172 C[C@@H](O)CSCC1CCCO1 62a_100009817552_100000203698 [0,1,0,1,0,0|1,0,0]=3 23701 B11R1.172 C[C@@H](O)CSCC1CCOC1 62a_100000702531_100009817552 [0,1,0,1,0,0|2,0,0]=4 23702 B11R1.172 C[C@@H](O)CSCC1CCOC1 62a_100009817552_100000702531 [0,1,0,1,0,0|2,0,0]=4 23703 B11R1.172 C[C@@H](O)CSCC1OCCO1 62a_100000755774_100009817552 [0,1,0,1,0,0|2,0,0]=4 23704 B11R1.172 C[C@@H](O)CSCC1OCCO1 62a_100009817552_100000755774 [0,1,0,1,0,0|2,0,0]=4 23705 B11R1.172 FC(F)CCOC1CCCC1 34a_100103093639_100000179811 [0,1,0,1,0,0|2,0,0]=4 23706 B11R1.172 FC(F)CNCC1CCCC1 2230a_100000737975_100011934356 [0,1,0,1,0,0|2,0,0]=4 23707 B11R1.172 FC(F)CNCC1CCCC1 34a_100000737975_100011934356 [0,1,0,1,0,0|2,0,0]=4 23708 B11R1.172 FC(F)CNCC1CCCC1 34a_100000765723_100000740388 [0,1,0,1,0,0|2,0,0]=4 23709 B11R1.172 FC(F)CNC[C@@H]1CCCO1 2230a_100020590478_100011934356 [0,1,0,1,0,0|2,0,0]=4 23710 B11R1.172 FC(F)CNC[C@@H]1CCCO1 34a_100020590478_100011934356 [0,1,0,1,0,0|2,0,0]=4 23711 B11R1.172 FC(F)COCC1CCCC1 34a_100000742336_100011934356 [0,1,0,1,0,0|2,0,0]=4 23712 B11R1.172 FC(F)COCC1CCCC1 34a_100000743014_100000740388 [0,1,0,1,0,0|2,0,0]=4 23713 B11R1.172 FC(F)COCC1CCCC1 7a_100000742336_100011934356 [0,1,0,1,0,0|2,0,0]=4 23714 B11R1.172 FC(F)COCC1CCCO1 34a_100000210270_100011934356 [0,1,0,1,0,0|2,0,0]=4 23715 B11R1.172 FC(F)COCC1CCCO1 7a_100000210270_100011934356 [0,1,0,1,0,0|2,0,0]=4 23716 B11R1.172 FC(F)CSCC1CCCC1 62a_100000740388_100011934356 [0,1,0,1,0,0|2,0,0]=4 23717 B11R1.172 FC(F)CSCC1CCCC1 62a_100011934356_100000740388 [0,1,0,1,0,0|2,0,0]=4 23718 B11R1.172 FC(F)CSCC1CCCO1 62a_100000203698_100011934356 [0,1,0,1,0,0|2,0,0]=4 23719 B11R1.172 FC(F)CSCC1CCCO1 62a_100011934356_100000203698 [0,1,0,1,0,0|2,0,0]=4 23720 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [0,1,0,1,0,0|1,0,1]=4 23721 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [0,1,0,1,0,0|1,0,1]=4 23722 B11R1.172 [13CH3]C(=O)CSCC1CCCO1 1458a_100000217298_200025704644 [0,1,0,1,0,0|1,0,1]=4 23723 B11R1.174 C=C(C)CCNC[C@@H]1CCO1 2230a_100020831831_100000730704 [0,1,0,1,0,0|1,0,1]=4 23724 B11R1.174 C=C(C)CCNC[C@@H]1CCO1 34a_100020831831_100000730704 [0,1,0,1,0,0|1,0,1]=4 23725 B11R1.174 C=C(C)CCOCC1CCO1 34a_100000039022_100000730704 [0,1,0,1,0,0|1,0,1]=4 23726 B11R1.174 C=C(C)CCOCC1CCO1 34a_100000764851_100000103362 [0,1,0,1,0,0|1,0,1]=4 23727 B11R1.174 C=C(C)CCSCC1CCO1 62a_100000103362_100000730704 [0,1,0,1,0,0|1,0,1]=4 23728 B11R1.174 C=C(C)CCSCC1CCO1 62a_100000730704_100000103362 [0,1,0,1,0,0|1,0,1]=4 23729 B11R1.174 CC(=O)CCOCC1CCO1 34a_100000759926_100000103362 [0,1,0,1,0,0|1,0,1]=4 23730 B11R1.174 CC(=O)CCOCC1CCO1 7a_100000759926_100000103362 [0,1,0,1,0,0|1,0,1]=4 23731 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000053229_100000103362 [0,1,0,1,0,0|1,0,1]=4 23732 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000103362_100000053229 [0,1,0,1,0,0|1,0,1]=4 23733 B11R1.174 CC(Br)CCOCC1CCC1 34a_100009893172_100000763275 [0,1,0,1,0,0|2,0,0]=4 23734 B11R1.174 CC(Br)CCOCC1CCO1 34a_100009893172_100000103362 [0,1,0,1,0,0|1,0,0]=3 23735 B11R1.174 CC(C)CCCCN1CCC1 269982a_100000754969_100011216152 [0,1,0,1,0,0|2,0,0]=4 23736 B11R1.174 CC(C)CCCNC1CCC1 2230a_100000749019_100011214892 [0,1,0,1,0,0|2,0,0]=4 23737 B11R1.174 CC(C)CCCNC1CCC1 270004a_200000737386_100000241760 [0,1,0,1,0,0|2,0,0]=4 23738 B11R1.174 CC(C)CCCNC1CCC1 34a_100000749019_100011214892 [0,1,0,1,0,0|2,0,0]=4 23739 B11R1.174 CC(C)CCCNC1CCC1 34a_200000737386_100000749161 [0,1,0,1,0,0|2,0,0]=4 23740 B11R1.174 CC(C)CCCOC1CCC1 34a_100000210774_100000749161 [0,1,0,1,0,0|2,0,0]=4 23741 B11R1.174 CC(C)CCCOC1CCC1 34a_100000748187_100011214892 [0,1,0,1,0,0|2,0,0]=4 23742 B11R1.174 CC(C)CCCSC1CCC1 62a_100011214892_100000749161 [0,1,0,1,0,0|2,0,0]=4 23743 B11R1.174 CC(C)CCNCC1CCC1 2230a_100000738700_100000210312 [0,1,0,1,0,0|2,0,0]=4 23744 B11R1.174 CC(C)CCNCC1CCC1 269862a_100000210545_100000753134 [0,1,0,1,0,0|2,0,0]=4 23745 B11R1.174 CC(C)CCNCC1CCC1 269862a_100000738700_100000185833 [0,1,0,1,0,0|2,0,0]=4 23746 B11R1.174 CC(C)CCNCC1CCC1 34a_100000738700_100000210312 [0,1,0,1,0,0|2,0,0]=4 23747 B11R1.174 CC(C)CCNC[C@@H]1CCO1 2230a_100020831831_100000210312 [0,1,0,1,0,0|1,0,0]=3 23748 B11R1.174 CC(C)CCNC[C@@H]1CCO1 269862a_100020831831_100000185833 [0,1,0,1,0,0|1,0,0]=3 23749 B11R1.174 CC(C)CCNC[C@@H]1CCO1 34a_100020831831_100000210312 [0,1,0,1,0,0|1,0,0]=3 23750 B11R1.174 CC(C)CCOCC1CCC1 34a_100000210254_100000763275 [0,1,0,1,0,0|2,0,0]=4 23751 B11R1.174 CC(C)CCOCC1CCC1 34a_100000760304_100000210312 [0,1,0,1,0,0|2,0,0]=4 23752 B11R1.174 CC(C)CCOCC1CCC1 7a_100000210254_100000763275 [0,1,0,1,0,0|2,0,0]=4 23753 B11R1.174 CC(C)CCOCC1CCO1 34a_100000039022_100000210312 [0,1,0,1,0,0|1,0,0]=3 23754 B11R1.174 CC(C)CCOCC1CCO1 34a_100000210254_100000103362 [0,1,0,1,0,0|1,0,0]=3 23755 B11R1.174 CC(C)CCOCC1CCO1 7a_100000210254_100000103362 [0,1,0,1,0,0|1,0,0]=3 23756 B11R1.174 CC(C)CCSCC1CCC1 62a_100000210312_100000763275 [0,1,0,1,0,0|2,0,0]=4 23757 B11R1.174 CC(C)CCSCC1CCC1 62a_100000763275_100000210312 [0,1,0,1,0,0|2,0,0]=4 23758 B11R1.174 CC(C)CCSCC1CCO1 62a_100000103362_100000210312 [0,1,0,1,0,0|1,0,0]=3 23759 B11R1.174 CC(C)CCSCC1CCO1 62a_100000210312_100000103362 [0,1,0,1,0,0|1,0,0]=3 23760 B11R1.174 CC(C)OCNC[C@@H]1CCO1 2230a_100020831831_100000709892 [0,1,0,1,0,0|2,0,0]=4 23761 B11R1.174 CC(C)OCNC[C@@H]1CCO1 34a_100020831831_100000709892 [0,1,0,1,0,0|2,0,0]=4 23762 B11R1.174 CC(C)OCOCC1CCO1 34a_100000039022_100000709892 [0,1,0,1,0,0|2,0,0]=4 23763 B11R1.174 CC(C)OCSCC1CCO1 62a_100000103362_100000709892 [0,1,0,1,0,0|2,0,0]=4 23764 B11R1.174 CC(C)OCSCC1CCO1 62a_100000709892_100000103362 [0,1,0,1,0,0|2,0,0]=4 23765 B11R1.174 CC(O)CCCNC1CCC1 2230a_100000749019_200000718107 [0,1,0,1,0,0|1,0,0]=3 23766 B11R1.174 CC(O)CCCNC1CCC1 34a_100000749019_200000718107 [0,1,0,1,0,0|1,0,0]=3 23767 B11R1.174 CC(O)CCCNC1COC1 2230a_100016991112_200000718107 [0,1,0,1,0,0|2,0,0]=4 23768 B11R1.174 CC(O)CCCOC1CCC1 34a_100000748187_200000718107 [0,1,0,1,0,0|1,0,0]=3 23769 B11R1.174 CC(O)CCCOC1CSC1 7a_100000072292_200000718107 [0,1,0,1,0,0|2,0,0]=4 23770 B11R1.174 CC(O)CCCSC1CCC1 62a_200000718107_100000749161 [0,1,0,1,0,0|1,0,0]=3 23771 B11R1.174 CC(O)CCCSC1COC1 62a_200000718107_100009818527 [0,1,0,1,0,0|2,0,0]=4 23772 B11R1.174 CC(O)CCNCC1CCC1 2230a_100000738700_100012276601 [0,1,0,1,0,0|1,0,0]=3 23773 B11R1.174 CC(O)CCNCC1CCC1 2230a_200000755665_100000763275 [0,1,0,1,0,0|1,0,0]=3 23774 B11R1.174 CC(O)CCNCC1CCC1 269862a_200000755665_100000753134 [0,1,0,1,0,0|1,0,0]=3 23775 B11R1.174 CC(O)CCNCC1CCC1 34a_100000738700_100012276601 [0,1,0,1,0,0|1,0,0]=3 23776 B11R1.174 CC(O)CCNCC1CCO1 2230a_200000755665_100000103362 [0,1,0,1,0,0|1,0,0]=3 23777 B11R1.174 CC(O)CCNCC1COC1 2230a_100015281925_100012276601 [0,1,0,1,0,0|2,0,0]=4 23778 B11R1.174 CC(O)CCNCC1COC1 2230a_200000755665_100010264016 [0,1,0,1,0,0|2,0,0]=4 23779 B11R1.174 CC(O)CCNCC1COC1 34a_100015281925_100012276601 [0,1,0,1,0,0|2,0,0]=4 23780 B11R1.174 CC(O)CCNC[C@@H]1CCO1 2230a_100020831831_100012276601 [0,1,0,1,0,0|1,0,0]=3 23781 B11R1.174 CC(O)CCNC[C@@H]1CCO1 34a_100020831831_100012276601 [0,1,0,1,0,0|1,0,0]=3 23782 B11R1.174 CC(O)CCOCC1CCC1 34a_100000760304_100012276601 [0,1,0,1,0,0|1,0,0]=3 23783 B11R1.174 CC(O)CCOCC1CCO1 34a_100000039022_100012276601 [0,1,0,1,0,0|1,0,0]=3 23784 B11R1.174 CC(O)CCOCC1CNC1 34a_100016987283_100012276601 [0,1,0,1,0,0|2,0,0]=4 23785 B11R1.174 CC(O)CCOCC1COC1 34a_100000060846_100012276601 [0,1,0,1,0,0|2,0,0]=4 23786 B11R1.174 CC(O)CCSCC1CCC1 62a_100000763275_100012276601 [0,1,0,1,0,0|1,0,0]=3 23787 B11R1.174 CC(O)CCSCC1CCC1 62a_100012276601_100000763275 [0,1,0,1,0,0|1,0,0]=3 23788 B11R1.174 CC(O)CCSCC1CCO1 62a_100000103362_100012276601 [0,1,0,1,0,0|1,0,0]=3 23789 B11R1.174 CC(O)CCSCC1CCO1 62a_100012276601_100000103362 [0,1,0,1,0,0|1,0,0]=3 23790 B11R1.174 CC(O)CCSCC1COC1 62a_100010264016_100012276601 [0,1,0,1,0,0|2,0,0]=4 23791 B11R1.174 CC(O)CCSCC1COC1 62a_100012276601_100010264016 [0,1,0,1,0,0|2,0,0]=4 23792 B11R1.174 CC(O)COCCC1COC1 34a_100009855314_100011218427 [0,1,0,1,0,0|2,0,0]=4 23793 B11R1.174 CN(C)CCSCC1CCO1 62a_100000103362_100000755713 [0,1,0,1,0,0|2,0,0]=4 23794 B11R1.174 C[C@@H](N)CCOCC1CCC1 34a_100000706166_100000763275 [0,1,0,1,0,0|2,0,0]=4 23795 B11R1.174 C[C@@H](N)CCOCC1CCO1 34a_100000706166_100000103362 [0,1,0,1,0,0|1,0,0]=3 23796 B11R1.174 C[C@@H](O)COCCC1COC1 34a_100009855314_100009817552 [0,1,0,1,0,0|2,0,0]=4 23797 B11R1.174 FC(F)CCOCC1CCC1 34a_100103093639_100000763275 [0,1,0,1,0,0|2,0,0]=4 23798 B11R1.174 FC(F)CCOCC1CCO1 34a_100103093639_100000103362 [0,1,0,1,0,0|2,0,0]=4 23799 B11R1.174 OB(O)CCCCN1CCC1 269982a_100000754969_200009817182 [0,1,0,1,0,0|2,0,0]=4 23800 B11R1.176 C=C(C)CCOCCC1CO1 34a_100000764851_100000732470 [0,1,0,1,0,0|1,0,1]=4 23801 B11R1.176 C=C(C)CCOCC[C@@H]1CO1 34a_100009820653_100000730704 [0,1,0,1,0,0|1,0,1]=4 23802 B11R1.176 C=C(C)CCSCCC1CO1 62a_100000730704_100000732470 [0,1,0,1,0,0|1,0,1]=4 23803 B11R1.176 C=C(C)CCSCCC1CO1 62a_100000732470_100000730704 [0,1,0,1,0,0|1,0,1]=4 23804 B11R1.176 C=C(C)COCCCC1CO1 34a_100000210245_100000733510 [0,1,0,1,0,0|1,0,1]=4 23805 B11R1.176 C=C(C)CSCCCC1CO1 62a_100000733510_100000211660 [0,1,0,1,0,0|1,0,1]=4 23806 B11R1.176 C=C(C)CSCCCC1CO1 62a_100000748629_100000733510 [0,1,0,1,0,0|1,0,1]=4 23807 B11R1.176 CC(=O)CCCOCC1CO1 34a_100000759063_102125554688 [0,1,0,1,0,0|1,0,1]=4 23808 B11R1.176 CC(=O)CCCOCC1CO1 7a_100000759063_102125554688 [0,1,0,1,0,0|1,0,1]=4 23809 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000685027 [0,1,0,1,0,0|1,0,1]=4 23810 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 7a_100000759063_100000745022 [0,1,0,1,0,0|1,0,1]=4 23811 B11R1.176 CC(=O)CCCSCC1CO1 62a_100011215641_102125554688 [0,1,0,1,0,0|1,0,1]=4 23812 B11R1.176 CC(=O)CCCSCC1CO1 62a_102125554688_100011215641 [0,1,0,1,0,0|1,0,1]=4 23813 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011215641 [0,1,0,1,0,0|1,0,1]=4 23814 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100011215641_100000745022 [0,1,0,1,0,0|1,0,1]=4 23815 B11R1.176 CC(=O)CCOCCC1CO1 34a_100000759926_100000732470 [0,1,0,1,0,0|1,0,1]=4 23816 B11R1.176 CC(=O)CCOCCC1CO1 7a_100000759926_100000732470 [0,1,0,1,0,0|1,0,1]=4 23817 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000053229_100000732470 [0,1,0,1,0,0|1,0,1]=4 23818 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000732470_100000053229 [0,1,0,1,0,0|1,0,1]=4 23819 B11R1.176 CC(=O)COCCCC1CO1 34a_100000211253_100000733510 [0,1,0,1,0,0|1,0,1]=4 23820 B11R1.176 CC(Br)CCOCCC1CC1 34a_100009893172_100000694398 [0,1,0,1,0,0|2,0,0]=4 23821 B11R1.176 CC(Br)CCOCCC1CO1 34a_100009893172_100000732470 [0,1,0,1,0,0|1,0,0]=3 23822 B11R1.176 CC(Br)COCCCC1CO1 34a_100012180447_100000733510 [0,1,0,1,0,0|1,0,0]=3 23823 B11R1.176 CC(C)CCCCNC1CC1 34a_100000212008_100011216152 [0,1,0,1,0,0|2,0,0]=4 23824 B11R1.176 CC(C)CCCCOC1CC1 34a_100011214890_100000211595 [0,1,0,1,0,0|2,0,0]=4 23825 B11R1.176 CC(C)CCCCSC1CC1 62a_100011216152_100000211595 [0,1,0,1,0,0|2,0,0]=4 23826 B11R1.176 CC(C)CCCNCC1CC1 2230a_100000735609_100011214892 [0,1,0,1,0,0|2,0,0]=4 23827 B11R1.176 CC(C)CCCNCC1CC1 2230a_200000737386_100000742324 [0,1,0,1,0,0|2,0,0]=4 23828 B11R1.176 CC(C)CCCNCC1CC1 269862a_200000737386_100000741477 [0,1,0,1,0,0|2,0,0]=4 23829 B11R1.176 CC(C)CCCNCC1CC1 34a_100000735609_100011214892 [0,1,0,1,0,0|2,0,0]=4 23830 B11R1.176 CC(C)CCCNCC1CC1 34a_200000737386_100000742324 [0,1,0,1,0,0|2,0,0]=4 23831 B11R1.176 CC(C)CCCNCC1CO1 2230a_200000737386_100011216344 [0,1,0,1,0,0|1,0,0]=3 23832 B11R1.176 CC(C)CCCNCC1CO1 34a_200000737386_102125554688 [0,1,0,1,0,0|1,0,0]=3 23833 B11R1.176 CC(C)CCCOCC1CC1 34a_100000210774_100000742324 [0,1,0,1,0,0|2,0,0]=4 23834 B11R1.176 CC(C)CCCOCC1CC1 34a_100000211283_100011214892 [0,1,0,1,0,0|2,0,0]=4 23835 B11R1.176 CC(C)CCCOCC1CC1 7a_100000210774_100000742324 [0,1,0,1,0,0|2,0,0]=4 23836 B11R1.176 CC(C)CCCOCC1CO1 34a_100000210774_102125554688 [0,1,0,1,0,0|1,0,0]=3 23837 B11R1.176 CC(C)CCCOCC1CO1 7a_100000210774_102125554688 [0,1,0,1,0,0|1,0,0]=3 23838 B11R1.176 CC(C)CCCOCC1CS1 7a_100000210774_100000031435 [0,1,0,1,0,0|1,1,0]=4 23839 B11R1.176 CC(C)CCCOC[C@@H]1CO1 34a_100000757423_100011214892 [0,1,0,1,0,0|1,0,0]=3 23840 B11R1.176 CC(C)CCCOC[C@@H]1CO1 7a_100000210774_100000745022 [0,1,0,1,0,0|1,0,0]=3 23841 B11R1.176 CC(C)CCCSCC1CC1 62a_100000756562_100011214892 [0,1,0,1,0,0|2,0,0]=4 23842 B11R1.176 CC(C)CCCSCC1CC1 62a_100011214892_100000742324 [0,1,0,1,0,0|2,0,0]=4 23843 B11R1.176 CC(C)CCCSCC1CO1 62a_100011214892_102125554688 [0,1,0,1,0,0|1,0,0]=3 23844 B11R1.176 CC(C)CCCSCC1CO1 62a_102125554688_100011214892 [0,1,0,1,0,0|1,0,0]=3 23845 B11R1.176 CC(C)CCCSCC1CS1 62a_100000031435_100011214892 [0,1,0,1,0,0|1,1,0]=4 23846 B11R1.176 CC(C)CCCSCC1CS1 62a_100011214892_100000031435 [0,1,0,1,0,0|1,1,0]=4 23847 B11R1.176 CC(C)CCCSC[C@@H]1CO1 62a_100000745022_100011214892 [0,1,0,1,0,0|1,0,0]=3 23848 B11R1.176 CC(C)CCCSC[C@@H]1CO1 62a_100011214892_100000745022 [0,1,0,1,0,0|1,0,0]=3 23849 B11R1.176 CC(C)CCNCCC1CC1 269862a_100000764129_100000185833 [0,1,0,1,0,0|2,0,0]=4 23850 B11R1.176 CC(C)CCNCCC1CC1 34a_100000764129_100000210312 [0,1,0,1,0,0|2,0,0]=4 23851 B11R1.176 CC(C)CCOCCC1CC1 34a_100000210254_100000694398 [0,1,0,1,0,0|2,0,0]=4 23852 B11R1.176 CC(C)CCOCCC1CC1 34a_100000754188_100000210312 [0,1,0,1,0,0|2,0,0]=4 23853 B11R1.176 CC(C)CCOCCC1CC1 7a_100000210254_100000764125 [0,1,0,1,0,0|2,0,0]=4 23854 B11R1.176 CC(C)CCOCCC1CC1 7a_100000754188_100000210626 [0,1,0,1,0,0|2,0,0]=4 23855 B11R1.176 CC(C)CCOCCC1CO1 34a_100000210254_100000732470 [0,1,0,1,0,0|1,0,0]=3 23856 B11R1.176 CC(C)CCOCCC1CO1 7a_100000210254_100000732470 [0,1,0,1,0,0|1,0,0]=3 23857 B11R1.176 CC(C)CCOCC[C@@H]1CO1 34a_100009820653_100000210312 [0,1,0,1,0,0|1,0,0]=3 23858 B11R1.176 CC(C)CCSCCC1CC1 62a_100000210312_100000764125 [0,1,0,1,0,0|2,0,0]=4 23859 B11R1.176 CC(C)CCSCCC1CC1 62a_100000764125_100000210312 [0,1,0,1,0,0|2,0,0]=4 23860 B11R1.176 CC(C)CCSCCC1CO1 62a_100000210312_100000732470 [0,1,0,1,0,0|1,0,0]=3 23861 B11R1.176 CC(C)CCSCCC1CO1 62a_100000732470_100000210312 [0,1,0,1,0,0|1,0,0]=3 23862 B11R1.176 CC(C)CNCCCC1CO1 2230a_100000210953_100000733510 [0,1,0,1,0,0|1,0,0]=3 23863 B11R1.176 CC(C)CNCCCC1CO1 34a_100000210953_100000733510 [0,1,0,1,0,0|1,0,0]=3 23864 B11R1.176 CC(C)COCCCC1CO1 34a_100000210257_100000733510 [0,1,0,1,0,0|1,0,0]=3 23865 B11R1.176 CC(C)CSCCCC1CO1 62a_100000210624_100000733510 [0,1,0,1,0,0|1,0,0]=3 23866 B11R1.176 CC(C)CSCCCC1CO1 62a_100000733510_100000210760 [0,1,0,1,0,0|1,0,0]=3 23867 B11R1.176 CC(C)NCCOCC1CO1 34a_100000224655_102125554688 [0,1,0,1,0,0|2,0,0]=4 23868 B11R1.176 CC(C)OCCNCC1CO1 2230a_100000701111_100011216344 [0,1,0,1,0,0|2,0,0]=4 23869 B11R1.176 CC(C)OCCNCC1CO1 34a_100000701111_102125554688 [0,1,0,1,0,0|2,0,0]=4 23870 B11R1.176 CC(C)OCCOCC1CO1 34a_100000211219_102125554688 [0,1,0,1,0,0|2,0,0]=4 23871 B11R1.176 CC(C)OCCOCC1CO1 7a_100000211219_102125554688 [0,1,0,1,0,0|2,0,0]=4 23872 B11R1.176 CC(C)OCCOC[C@@H]1CO1 34a_100000757423_100000211751 [0,1,0,1,0,0|2,0,0]=4 23873 B11R1.176 CC(C)OCCOC[C@@H]1CO1 7a_100000211219_100000745022 [0,1,0,1,0,0|2,0,0]=4 23874 B11R1.176 CC(C)OCCSCC1CO1 62a_100000211751_102125554688 [0,1,0,1,0,0|2,0,0]=4 23875 B11R1.176 CC(C)OCCSCC1CO1 62a_102125554688_100000211751 [0,1,0,1,0,0|2,0,0]=4 23876 B11R1.176 CC(C)OCCSC[C@@H]1CO1 62a_100000211751_100000745022 [0,1,0,1,0,0|2,0,0]=4 23877 B11R1.176 CC(C)OCCSC[C@@H]1CO1 62a_100000745022_100000211751 [0,1,0,1,0,0|2,0,0]=4 23878 B11R1.176 CC(C)OCOCC[C@@H]1CO1 34a_100009820653_100000709892 [0,1,0,1,0,0|2,0,0]=4 23879 B11R1.176 CC(C)OCSCCC1CO1 62a_100000709892_100000732470 [0,1,0,1,0,0|2,0,0]=4 23880 B11R1.176 CC(C)OCSCCC1CO1 62a_100000732470_100000709892 [0,1,0,1,0,0|2,0,0]=4 23881 B11R1.176 CC(C)SCCNCC1CO1 2230a_100000731138_100011216344 [0,1,0,1,0,0|2,0,0]=4 23882 B11R1.176 CC(C)SCCNCC1CO1 34a_100000731138_102125554688 [0,1,0,1,0,0|2,0,0]=4 23883 B11R1.176 CC(C)SCCOCC1CO1 34a_200011212901_102125554688 [0,1,0,1,0,0|2,0,0]=4 23884 B11R1.176 CC(C)SCCOCC1CO1 7a_200011212901_102125554688 [0,1,0,1,0,0|2,0,0]=4 23885 B11R1.176 CC(C)SCCOC[C@@H]1CO1 34a_100000757423_100000730970 [0,1,0,1,0,0|2,0,0]=4 23886 B11R1.176 CC(C)SCCOC[C@@H]1CO1 7a_200011212901_100000745022 [0,1,0,1,0,0|2,0,0]=4 23887 B11R1.176 CC(C)SCCSCC1CO1 62a_100000730970_102125554688 [0,1,0,1,0,0|2,0,0]=4 23888 B11R1.176 CC(C)SCCSCC1CO1 62a_102125554688_100000730970 [0,1,0,1,0,0|2,0,0]=4 23889 B11R1.176 CC(C)SCCSC[C@@H]1CO1 62a_100000730970_100000745022 [0,1,0,1,0,0|2,0,0]=4 23890 B11R1.176 CC(C)SCCSC[C@@H]1CO1 62a_100000745022_100000730970 [0,1,0,1,0,0|2,0,0]=4 23891 B11R1.176 CC(F)COCCCC1CO1 34a_100015925927_100000733510 [0,1,0,1,0,0|1,0,0]=3 23892 B11R1.176 CC(O)CCCNCC1CC1 2230a_100000735609_200000718107 [0,1,0,1,0,0|1,0,0]=3 23893 B11R1.176 CC(O)CCCNCC1CC1 34a_100000735609_200000718107 [0,1,0,1,0,0|1,0,0]=3 23894 B11R1.176 CC(O)CCCOCC1CC1 34a_100000211283_200000718107 [0,1,0,1,0,0|1,0,0]=3 23895 B11R1.176 CC(O)CCCOC[C@@H]1CO1 34a_100000757423_200000718107 [0,1,0,1,0,0|1,0,0]=3 23896 B11R1.176 CC(O)CCCSCC1CC1 62a_100000756562_200000718107 [0,1,0,1,0,0|1,0,0]=3 23897 B11R1.176 CC(O)CCCSCC1CC1 62a_200000718107_100000742324 [0,1,0,1,0,0|1,0,0]=3 23898 B11R1.176 CC(O)CCCSCC1CO1 62a_102125554688_200000718107 [0,1,0,1,0,0|1,0,0]=3 23899 B11R1.176 CC(O)CCCSCC1CO1 62a_200000718107_102125554688 [0,1,0,1,0,0|1,0,0]=3 23900 B11R1.176 CC(O)CCCSCC1CS1 62a_100000031435_200000718107 [0,1,0,1,0,0|1,1,0]=4 23901 B11R1.176 CC(O)CCCSCC1CS1 62a_200000718107_100000031435 [0,1,0,1,0,0|1,1,0]=4 23902 B11R1.176 CC(O)CCCSC[C@@H]1CO1 62a_100000745022_200000718107 [0,1,0,1,0,0|1,0,0]=3 23903 B11R1.176 CC(O)CCCSC[C@@H]1CO1 62a_200000718107_100000745022 [0,1,0,1,0,0|1,0,0]=3 23904 B11R1.176 CC(O)CCNCCC1CC1 2230a_200000755665_100000694398 [0,1,0,1,0,0|1,0,0]=3 23905 B11R1.176 CC(O)CCNCCC1CC1 34a_100000764129_100012276601 [0,1,0,1,0,0|1,0,0]=3 23906 B11R1.176 CC(O)CCNCCC1CO1 2230a_200000755665_100000732470 [0,1,0,1,0,0|1,0,0]=3 23907 B11R1.176 CC(O)CCOCCC1CC1 34a_100000754188_100012276601 [0,1,0,1,0,0|1,0,0]=3 23908 B11R1.176 CC(O)CCOCCC1CC1 7a_100000754188_100012276601 [0,1,0,1,0,0|1,0,0]=3 23909 B11R1.176 CC(O)CCOCC[C@@H]1CO1 34a_100009820653_100012276601 [0,1,0,1,0,0|1,0,0]=3 23910 B11R1.176 CC(O)CCSCCC1CC1 62a_100000764125_100012276601 [0,1,0,1,0,0|1,0,0]=3 23911 B11R1.176 CC(O)CCSCCC1CC1 62a_100012276601_100000764125 [0,1,0,1,0,0|1,0,0]=3 23912 B11R1.176 CC(O)CCSCCC1CO1 62a_100000732470_100012276601 [0,1,0,1,0,0|1,0,0]=3 23913 B11R1.176 CC(O)CCSCCC1CO1 62a_100012276601_100000732470 [0,1,0,1,0,0|1,0,0]=3 23914 B11R1.176 CC(O)CNCCCC1CO1 2230a_100000210904_100000733510 [0,1,0,1,0,0|1,0,0]=3 23915 B11R1.176 CC(O)CNCCCC1CO1 34a_100000210904_100000733510 [0,1,0,1,0,0|1,0,0]=3 23916 B11R1.176 CC(O)COCCNC1CC1 34a_100000738766_100011218427 [0,1,0,1,0,0|2,0,0]=4 23917 B11R1.176 CC(O)CSCCCC1CO1 62a_100000733510_100011218427 [0,1,0,1,0,0|1,0,0]=3 23918 B11R1.176 CC(O)CSCCCC1CO1 62a_100011218427_100000733510 [0,1,0,1,0,0|1,0,0]=3 23919 B11R1.176 CN(C)CCCSCC1CO1 62a_102125554688_100000757444 [0,1,0,1,0,0|2,0,0]=4 23920 B11R1.176 CN(C)CCCSC[C@@H]1CO1 62a_100000745022_100000757444 [0,1,0,1,0,0|2,0,0]=4 23921 B11R1.176 CN(C)CCSCCC1CO1 62a_100000732470_100000755713 [0,1,0,1,0,0|2,0,0]=4 23922 B11R1.176 CS(=O)CCCNCC1CO1 2230a_200000753449_100011216344 [0,1,0,1,0,0|2,0,0]=4 23923 B11R1.176 C[C@@H](Cl)COCCCC1CO1 34a_100016084084_100000733510 [0,1,0,1,0,0|1,0,0]=3 23924 B11R1.176 C[C@@H](N)CCOCCC1CC1 34a_100000706166_100000694398 [0,1,0,1,0,0|2,0,0]=4 23925 B11R1.176 C[C@@H](N)CCOCCC1CO1 34a_100000706166_100000732470 [0,1,0,1,0,0|1,0,0]=3 23926 B11R1.176 C[C@@H](N)COCCCC1CO1 34a_100000737577_100000733510 [0,1,0,1,0,0|1,0,0]=3 23927 B11R1.176 C[C@@H](O)COCCNC1CC1 34a_100000738766_100009817552 [0,1,0,1,0,0|2,0,0]=4 23928 B11R1.176 C[C@@H](O)CSCCCC1CO1 62a_100000733510_100009817552 [0,1,0,1,0,0|1,0,0]=3 23929 B11R1.176 C[C@@H](O)CSCCCC1CO1 62a_100009817552_100000733510 [0,1,0,1,0,0|1,0,0]=3 23930 B11R1.176 FC(F)CCOCCC1CC1 34a_100103093639_100000694398 [0,1,0,1,0,0|2,0,0]=4 23931 B11R1.176 FC(F)CCOCCC1CO1 34a_100103093639_100000732470 [0,1,0,1,0,0|2,0,0]=4 23932 B11R1.176 FC(F)CNCCCC1CO1 34a_100000765723_100000733510 [0,1,0,1,0,0|2,0,0]=4 23933 B11R1.176 FC(F)COCCCC1CO1 34a_100000743014_100000733510 [0,1,0,1,0,0|2,0,0]=4 23934 B11R1.176 FC(F)CSCCCC1CO1 62a_100000733510_100011934356 [0,1,0,1,0,0|2,0,0]=4 23935 B11R1.176 FC(F)CSCCCC1CO1 62a_100011934356_100000733510 [0,1,0,1,0,0|2,0,0]=4 23936 B11R1.176 OB(O)CCCCNC1CC1 34a_100000212008_200009817182 [0,1,0,1,0,0|2,0,0]=4 23937 B11R1.176 OB(O)CCCCSC1CC1 62a_200009817182_100000211595 [0,1,0,1,0,0|2,0,0]=4 23938 B11R1.191 CC1(COCCN1CCO)C 2230a_100000724681_100000211926 [0,1,0,1,0,0|2,0,0]=4 23939 B11R1.191 CC1(COCCN1CCO)C 269982a_100000724681_100000211926 [0,1,0,1,0,0|2,0,0]=4 23940 B11R1.191 CC1(COCCN1CCO)C 34a_100000724681_100000211926 [0,1,0,1,0,0|2,0,0]=4 23941 B11R1.191 CCNC1CCCCC1(C)C 269862a_100015525214_100000031690 [0,1,0,1,0,0|2,0,0]=4 23942 B11R1.191 CCNC1CCCCC1(F)F 2230a_100000686509_100000210202 [0,1,0,1,0,0|2,0,0]=4 23943 B11R1.191 CCNC1CCCCC1(F)F 34a_100000686509_100000210202 [0,1,0,1,0,0|2,0,0]=4 23944 B11R1.191 CCOC1CCCCC1(F)F 34a_100121572206_200009832135 [0,1,0,1,0,0|2,0,0]=4 23945 B11R1.191 CCSC1CCCCC1(F)F 62a_100000210202_200009832135 [0,1,0,1,0,0|2,0,0]=4 23946 B11R1.191 CCSC1CCCCC1(F)F 62a_200009832135_100000210202 [0,1,0,1,0,0|2,0,0]=4 23947 B11R1.193 CC(C)C1CCCN1CCF 2230a_100000762757_100011217306 [0,1,0,1,0,0|2,0,0]=4 23948 B11R1.193 CC(C)C1CCCN1CCF 269982a_100000762757_100011217306 [0,1,0,1,0,0|2,0,0]=4 23949 B11R1.193 CC(C)C1CCCN1CCF 34a_100000762757_100011217306 [0,1,0,1,0,0|2,0,0]=4 23950 B11R1.193 CC(C)C1CCCN1CCO 2230a_100000762757_100000211926 [0,1,0,1,0,0|1,0,0]=3 23951 B11R1.193 CC(C)C1CCCN1CCO 269982a_100000762757_100000211926 [0,1,0,1,0,0|1,0,0]=3 23952 B11R1.193 CC(C)C1CCCN1CCO 34a_100000762757_100000211926 [0,1,0,1,0,0|1,0,0]=3 23953 B11R1.193 CCCC1CCCC1N(C)C 270004a_100102631434_100000723119 [0,1,0,1,0,0|2,0,0]=4 23954 B11R1.193 CCCN1CCCC1C(C)C 2230a_100000762757_100000210303 [0,1,0,1,0,0|2,0,0]=4 23955 B11R1.193 CCCN1CCCC1C(C)C 269982a_100000762757_100000210303 [0,1,0,1,0,0|2,0,0]=4 23956 B11R1.193 CCCN1CCCC1C(C)C 34a_100000762757_100000210303 [0,1,0,1,0,0|2,0,0]=4 23957 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [0,1,0,1,0,0|1,0,1]=4 23958 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [0,1,0,1,0,0|1,0,1]=4 23959 B11R1.233 CC1(CCCC1NCCF)C 269862a_100000724931_100000065263 [0,1,0,1,0,0|2,0,0]=4 23960 B11R1.233 CC1(CCCC1NCCO)C 269862a_100000210304_100000065263 [0,1,0,1,0,0|1,0,0]=3 23961 B11R1.233 CC1(CCCC1OCCF)C 34a_100000726220_100011217306 [0,1,0,1,0,0|2,0,0]=4 23962 B11R1.233 CC1(CCCC1OCCF)C 7a_100000726220_100011217306 [0,1,0,1,0,0|2,0,0]=4 23963 B11R1.233 CC1(CCCC1OCCO)C 34a_100000726220_100000211926 [0,1,0,1,0,0|1,0,0]=3 23964 B11R1.233 CC1(CCCC1OCCO)C 7a_100000726220_100000211926 [0,1,0,1,0,0|1,0,0]=3 23965 B11R1.233 CC1(CCCN1CCCF)C 2230a_100000761399_100011934791 [0,1,0,1,0,0|2,0,0]=4 23966 B11R1.233 CC1(CCCN1CCCF)C 269982a_100000761399_100011934791 [0,1,0,1,0,0|2,0,0]=4 23967 B11R1.233 CC1(CCCN1CCCF)C 34a_100000761399_100011934791 [0,1,0,1,0,0|2,0,0]=4 23968 B11R1.233 CC1(CCCN1CCCO)C 2230a_100000761399_100000230001 [0,1,0,1,0,0|1,0,0]=3 23969 B11R1.233 CC1(CCCN1CCCO)C 269982a_100000761399_100011215043 [0,1,0,1,0,0|1,0,0]=3 23970 B11R1.233 CC1(CCCN1CCCO)C 34a_100000761399_100000230001 [0,1,0,1,0,0|1,0,0]=3 23971 B11R1.233 CC1(COCN1CCCO)C 2230a_100000043020_100000230001 [0,1,0,1,0,0|2,0,0]=4 23972 B11R1.233 CC1(COCN1CCCO)C 269982a_100000043020_100011215043 [0,1,0,1,0,0|2,0,0]=4 23973 B11R1.233 CC1(SCCN1CCCO)C 2230a_100011217261_100000230001 [0,1,0,1,0,0|2,0,0]=4 23974 B11R1.233 CC1(SCCN1CCCO)C 269982a_100011217261_100011215043 [0,1,0,1,0,0|2,0,0]=4 23975 B11R1.233 CC1(SCCN1CCCO)C 34a_100011217261_100000230001 [0,1,0,1,0,0|2,0,0]=4 23976 B11R1.233 CCCCN1CCCC1(C)C 2230a_100000761399_100000210211 [0,1,0,1,0,0|2,0,0]=4 23977 B11R1.233 CCCCN1CCCC1(C)C 269982a_100000761399_100000210211 [0,1,0,1,0,0|2,0,0]=4 23978 B11R1.233 CCCCN1CCCC1(C)C 34a_100000761399_100000210210 [0,1,0,1,0,0|2,0,0]=4 23979 B11R1.233 CCCNC1CCCC1(C)C 269862a_100020643023_100000065263 [0,1,0,1,0,0|2,0,0]=4 23980 B11R1.233 CCCNC1CCCC1(F)F 2230a_100000767123_100000210303 [0,1,0,1,0,0|2,0,0]=4 23981 B11R1.233 CCCNC1CCCC1(F)F 34a_100000767123_100000210303 [0,1,0,1,0,0|2,0,0]=4 23982 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210303 [0,1,0,1,0,0|1,0,0]=3 23983 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210303 [0,1,0,1,0,0|1,0,0]=3 23984 B11R1.233 CCCOC1CCCC1(C)C 34a_100000726220_100000210303 [0,1,0,1,0,0|2,0,0]=4 23985 B11R1.233 CCCOC1CCCC1(C)C 7a_100000726220_100000210303 [0,1,0,1,0,0|2,0,0]=4 23986 B11R1.233 CCCOC1CCCC1(F)F 34a_100000210258_100119073726 [0,1,0,1,0,0|2,0,0]=4 23987 B11R1.233 CCCSC1CCCC1(F)F 62a_100000210303_100119073726 [0,1,0,1,0,0|2,0,0]=4 23988 B11R1.233 CCCSC1CCCC1(F)F 62a_100119073726_100000210303 [0,1,0,1,0,0|2,0,0]=4 23989 B11R1.233 COCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000766300 [0,1,0,1,0,0|2,0,0]=4 23990 B11R1.233 CSCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011218213 [0,1,0,1,0,0|2,0,0]=4 23991 B11R1.233 CSCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100011218213 [0,1,0,1,0,0|2,0,0]=4 23992 B11R1.233 C[C@]1(CCC[C@H]1NCCF)O 2230a_100015977457_100011217306 [0,1,0,1,0,0|2,0,0]=4 23993 B11R1.233 C[C@]1(CCC[C@H]1NCCF)O 34a_100015977457_100011217306 [0,1,0,1,0,0|2,0,0]=4 23994 B11R1.233 C[C@]1(CCC[C@H]1NCCO)O 2230a_100015977457_100000211926 [0,1,0,1,0,0|1,0,0]=3 23995 B11R1.233 C[C@]1(CCC[C@H]1NCCO)O 34a_100015977457_100000211926 [0,1,0,1,0,0|1,0,0]=3 23996 B11R1.233 OCCNC1CCCC1(F)F 2230a_100000767123_100000211926 [0,1,0,1,0,0|2,0,0]=4 23997 B11R1.233 OCCNC1CCCC1(F)F 34a_100000767123_100000211926 [0,1,0,1,0,0|2,0,0]=4 23998 B11R1.233 OCCNC1CCCC1(F)F 34a_100016990907_100119073726 [0,1,0,1,0,0|2,0,0]=4 23999 B11R1.233 OCCSC1CCCC1(F)F 62a_100000211926_100119073726 [0,1,0,1,0,0|2,0,0]=4 24000 B11R1.233 OCCSC1CCCC1(F)F 62a_100119073726_100000211926 [0,1,0,1,0,0|2,0,0]=4 24001 B11R1.706 CC(C)N1CCCCCCC1 2230a_100000211400_100000210206 [0,1,0,1,0,0|2,0,0]=4 24002 B11R1.706 CC(C)N1CCCCCCC1 269982a_100000211400_100000210206 [0,1,0,1,0,0|2,0,0]=4 24003 B11R1.706 CC(C)N1CCCCCCC1 34a_100000211400_100000210206 [0,1,0,1,0,0|2,0,0]=4 24004 B11R1.706 CN(C)C1CCCCCCC1 270004a_100102631434_100000210524 [0,1,0,1,0,0|2,0,0]=4 24005 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,1,0,1,0,0|0,0,2]=4 24006 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,1,0,1,0,0|0,0,2]=4 24007 B11R1.742 CC(C)CN1CCCCCC1 2230a_100000185865_100000210760 [0,1,0,1,0,0|2,0,0]=4 24008 B11R1.742 CC(C)CN1CCCCCC1 269982a_100000185865_100000210624 [0,1,0,1,0,0|2,0,0]=4 24009 B11R1.742 CC(C)CN1CCCCCC1 270004a_100000185865_100000210432 [0,1,0,1,0,0|2,0,0]=4 24010 B11R1.742 CC(C)CN1CCCCCC1 34a_100000185865_100000210624 [0,1,0,1,0,0|2,0,0]=4 24011 B11R1.742 CC(C)NC1CCCCCC1 2230a_100000210984_100000210206 [0,1,0,1,0,0|2,0,0]=4 24012 B11R1.742 CC(C)NC1CCCCCC1 34a_100000210984_100000210206 [0,1,0,1,0,0|2,0,0]=4 24013 B11R1.742 CC(C)NC1CCCCCC1 34a_100138425928_100011217769 [0,1,0,1,0,0|2,0,0]=4 24014 B11R1.742 CC(C)OC1CCCCCC1 34a_100000210887_100000210206 [0,1,0,1,0,0|2,0,0]=4 24015 B11R1.742 CC(C)OC1CCCCCC1 34a_100000212225_100011217769 [0,1,0,1,0,0|2,0,0]=4 24016 B11R1.742 CC(C)OC1CCCCCC1 7a_100000210887_100000210206 [0,1,0,1,0,0|2,0,0]=4 24017 B11R1.742 CC(C)SC1CCCCCC1 62a_100000210206_100011217769 [0,1,0,1,0,0|2,0,0]=4 24018 B11R1.742 CC(C)SC1CCCCCC1 62a_100011217769_100000210206 [0,1,0,1,0,0|2,0,0]=4 24019 B11R1.742 CC(O)CN1CCCCCC1 2230a_100000185865_100011218427 [0,1,0,1,0,0|1,0,0]=3 24020 B11R1.742 CC(O)CN1CCCCCC1 269982a_100000185865_100011218427 [0,1,0,1,0,0|1,0,0]=3 24021 B11R1.742 CC(O)CN1CCCCCC1 34a_100000185865_100011218427 [0,1,0,1,0,0|1,0,0]=3 24022 B11R1.742 CC(O)CN1CCCOCC1 2230a_100000685342_100011218427 [0,1,0,1,0,0|2,0,0]=4 24023 B11R1.742 CC(O)CN1CCCOCC1 269982a_100000685342_100011218427 [0,1,0,1,0,0|2,0,0]=4 24024 B11R1.742 CC(O)CN1CCCOCC1 34a_100000685342_100011218427 [0,1,0,1,0,0|2,0,0]=4 24025 B11R1.742 CN(C)CC1CCCCCC1 2230a_100102631434_200000696569 [0,1,0,1,0,0|2,0,0]=4 24026 B11R1.742 CN(C)CC1CCCCCC1 269982a_100102631434_200000696569 [0,1,0,1,0,0|2,0,0]=4 24027 B11R1.742 C[C@@H](O)CN1CCCCCC1 2230a_100000185865_100009817552 [0,1,0,1,0,0|1,0,0]=3 24028 B11R1.742 C[C@@H](O)CN1CCCCCC1 269982a_100000185865_100009817552 [0,1,0,1,0,0|1,0,0]=3 24029 B11R1.742 C[C@@H](O)CN1CCCCCC1 34a_100000185865_100009817552 [0,1,0,1,0,0|1,0,0]=3 24030 B11R1.742 C[C@@H](O)CN1CCCOCC1 2230a_100000685342_100009817552 [0,1,0,1,0,0|2,0,0]=4 24031 B11R1.742 C[C@@H](O)CN1CCCOCC1 269982a_100000685342_100009817552 [0,1,0,1,0,0|2,0,0]=4 24032 B11R1.742 C[C@@H](O)CN1CCCOCC1 34a_100000685342_100009817552 [0,1,0,1,0,0|2,0,0]=4 24033 B11R1.742 FC(F)CN1CCCCCC1 2230a_100000185865_100011934356 [0,1,0,1,0,0|2,0,0]=4 24034 B11R1.742 FC(F)CN1CCCCCC1 269982a_100000185865_100011934356 [0,1,0,1,0,0|2,0,0]=4 24035 B11R1.742 FC(F)CN1CCCCCC1 34a_100000185865_100011934356 [0,1,0,1,0,0|2,0,0]=4 24036 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,1,0,1,0,0|0,0,2]=4 24037 B11R1.898 CC1(CC1COCCCF)C 34a_100000728257_100011934791 [0,1,0,1,0,0|2,0,0]=4 24038 B11R1.898 CC1(CC1COCCCF)C 7a_100000728257_100011934791 [0,1,0,1,0,0|2,0,0]=4 24039 B11R1.898 CC1(CC1COCCCO)C 34a_100000728257_100000230001 [0,1,0,1,0,0|1,0,0]=3 24040 B11R1.898 CC1(CC1COCCCO)C 7a_100000728257_100011215043 [0,1,0,1,0,0|1,0,0]=3 24041 B11R1.898 CC1(OC1COCCCO)C 34a_200010283642_100000230001 [0,1,0,1,0,0|2,0,0]=4 24042 B11R1.898 CC1(OC1COCCCO)C 7a_200010283642_100011215043 [0,1,0,1,0,0|2,0,0]=4 24043 B11R1.898 CCCCCNC1CC1(F)F 2230a_100020610826_100000210326 [0,1,0,1,0,0|2,0,0]=4 24044 B11R1.898 CCCCCNC1CC1(F)F 34a_100020610826_100000718602 [0,1,0,1,0,0|2,0,0]=4 24045 B11R1.898 CCCCNCC1CC1(F)F 2230a_100000102301_100009817841 [0,1,0,1,0,0|2,0,0]=4 24046 B11R1.898 CCCCNCC1CC1(F)F 7a_106832991798_100009817841 [0,1,0,1,0,0|2,0,0]=4 24047 B11R1.898 CCCCOCC1CC1(C)C 34a_100000728257_100000210210 [0,1,0,1,0,0|2,0,0]=4 24048 B11R1.898 CCCCOCC1CC1(C)C 7a_100000728257_100000210211 [0,1,0,1,0,0|2,0,0]=4 24049 B11R1.898 CCCCOCC1CC1(F)F 34a_100000056500_100000210210 [0,1,0,1,0,0|2,0,0]=4 24050 B11R1.898 CCCCOCC1CC1(F)F 34a_100000210227_100009817841 [0,1,0,1,0,0|2,0,0]=4 24051 B11R1.898 CCCCOCC1CC1(F)F 7a_100000056500_100000210211 [0,1,0,1,0,0|2,0,0]=4 24052 B11R1.898 CCCCOCC1CC1(F)F 7a_100000210227_100009817841 [0,1,0,1,0,0|2,0,0]=4 24053 B11R1.898 CCCCSCC1CC1(F)F 62a_100000210211_100009817841 [0,1,0,1,0,0|2,0,0]=4 24054 B11R1.898 CCCCSCC1CC1(F)F 62a_100009817841_100000210210 [0,1,0,1,0,0|2,0,0]=4 24055 B11R1.898 CCCOCCC1CC1(F)F 34a_100009864177_100000210303 [0,1,0,1,0,0|2,0,0]=4 24056 B11R1.898 CCCOCCC1CC1(F)F 7a_100009864177_100000210303 [0,1,0,1,0,0|2,0,0]=4 24057 B11R1.898 OCCCCNC1CC1(F)F 2230a_100020610826_100000210776 [0,1,0,1,0,0|2,0,0]=4 24058 B11R1.898 OCCCCNC1CC1(F)F 34a_100020610826_100011216708 [0,1,0,1,0,0|2,0,0]=4 24059 B11R1.898 OCCCOCC1CC1(F)F 34a_100000056500_100000230001 [0,1,0,1,0,0|2,0,0]=4 24060 B11R1.898 OCCCOCC1CC1(F)F 7a_100000056500_100011215043 [0,1,0,1,0,0|2,0,0]=4 24061 B11R1.898 OCCCSCC1CC1(F)F 62a_100009817841_100011215043 [0,1,0,1,0,0|2,0,0]=4 24062 B11R1.898 OCCCSCC1CC1(F)F 62a_100011215043_100009817841 [0,1,0,1,0,0|2,0,0]=4 24063 B11R1.898 OCCOCCC1CC1(F)F 34a_100009864177_100000211926 [0,1,0,1,0,0|2,0,0]=4 24064 B11R1.898 OCCOCCC1CC1(F)F 7a_100009864177_100000211926 [0,1,0,1,0,0|2,0,0]=4 24065 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [0,1,0,1,0,0|0,0,2]=4 24066 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [0,1,0,1,0,0|0,0,2]=4 24067 B11R1.17 C#CCCN1CCCCC1C 2230a_100000211376_100000688953 [0,1,0,1,0,0|1,0,1]=4 24068 B11R1.17 C#CCCN1CCCCC1C 269982a_100000211376_100000730999 [0,1,0,1,0,0|1,0,1]=4 24069 B11R1.17 C#CCCN1CCCCC1C 34a_100000211376_100000688953 [0,1,0,1,0,0|1,0,1]=4 24070 B11R1.17 C#CCNC1CCCCC1C 2230a_100000211402_100000038162 [0,1,0,1,0,0|1,0,1]=4 24071 B11R1.17 C#CCNC1CCCCC1C 34a_100000211402_100000184674 [0,1,0,1,0,0|1,0,1]=4 24072 B11R1.17 C#CCNC1CCCCC1O 34a_100000212058_100000038908 [0,1,0,1,0,0|0,0,2]=4 24073 B11R1.17 C#CCOC1CCCCC1C 34a_100000211207_100000184674 [0,1,0,1,0,0|1,0,1]=4 24074 B11R1.17 C#CCOC1CCCCC1C 7a_100000211207_100000038162 [0,1,0,1,0,0|1,0,1]=4 24075 B11R1.17 C#CCOC1CCCCC1O 34a_100000210247_100000038908 [0,1,0,1,0,0|0,0,2]=4 24076 B11R1.17 C#CCSC1CCCCC1O 62a_100000038162_100000038908 [0,1,0,1,0,0|0,0,2]=4 24077 B11R1.17 C=CCCN1CCCCC1C 2230a_100000211376_100000754431 [0,1,0,1,0,0|1,0,1]=4 24078 B11R1.17 C=CCCN1CCCCC1C 269982a_100000211376_100000754431 [0,1,0,1,0,0|1,0,1]=4 24079 B11R1.17 C=CCCN1CCCCC1C 34a_100000211376_100000754431 [0,1,0,1,0,0|1,0,1]=4 24080 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [0,1,0,1,0,0|1,0,1]=4 24081 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [0,1,0,1,0,0|1,0,1]=4 24082 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [0,1,0,1,0,0|1,0,1]=4 24083 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [0,1,0,1,0,0|1,0,1]=4 24084 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [0,1,0,1,0,0|1,0,1]=4 24085 B11R1.17 C=CCOC1CCCCC1O 34a_200000210373_100000038908 [0,1,0,1,0,0|0,0,2]=4 24086 B11R1.17 C=CCSC1CCCCC1O 62a_100000038908_100000210623 [0,1,0,1,0,0|0,0,2]=4 24087 B11R1.17 C=CCSC1CCCCC1O 62a_100000210623_100000038908 [0,1,0,1,0,0|0,0,2]=4 24088 B11R1.17 CC1CCCCC1NCC#N 2230a_100000211402_100011215382 [0,1,0,1,0,0|1,0,1]=4 24089 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [0,1,0,1,0,0|0,0,2]=4 24090 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [0,1,0,1,0,0|0,0,2]=4 24091 B11R1.17 CC1CCCCC1NCCF 2230a_100000211402_100011217306 [0,1,0,1,0,0|1,0,0]=3 24092 B11R1.17 CC1CCCCC1NCCF 269862a_100000724931_100000210921 [0,1,0,1,0,0|1,0,0]=3 24093 B11R1.17 CC1CCCCC1NCCF 34a_100000211402_100011217306 [0,1,0,1,0,0|1,0,0]=3 24094 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [0,1,0,1,0,0|0,0,0]=2 24095 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [0,1,0,1,0,0|0,0,0]=2 24096 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [0,1,0,1,0,0|0,0,0]=2 24097 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [0,1,0,1,0,0|0,0,0]=2 24098 B11R1.17 CC1CCCCC1OCC#N 7a_100000211207_100011215382 [0,1,0,1,0,0|1,0,1]=4 24099 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [0,1,0,1,0,0|0,0,2]=4 24100 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [0,1,0,1,0,0|0,0,2]=4 24101 B11R1.17 CC1CCCCC1OCCF 34a_100000211207_100011217306 [0,1,0,1,0,0|1,0,0]=3 24102 B11R1.17 CC1CCCCC1OCCF 7a_100000211207_100011217306 [0,1,0,1,0,0|1,0,0]=3 24103 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [0,1,0,1,0,0|0,0,0]=2 24104 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [0,1,0,1,0,0|0,0,0]=2 24105 B11R1.17 CC1CCCCN1CCC#N 2230a_100000211376_100011215226 [0,1,0,1,0,0|1,0,1]=4 24106 B11R1.17 CC1CCCCN1CCC#N 269982a_100000211376_100011215226 [0,1,0,1,0,0|1,0,1]=4 24107 B11R1.17 CC1CCCCN1CCCF 2230a_100000211376_100011934791 [0,1,0,1,0,0|1,0,0]=3 24108 B11R1.17 CC1CCCCN1CCCF 269982a_100000211376_100011934791 [0,1,0,1,0,0|1,0,0]=3 24109 B11R1.17 CC1CCCCN1CCCF 34a_100000211376_100011934791 [0,1,0,1,0,0|1,0,0]=3 24110 B11R1.17 CC1CCCCN1CCCO 2230a_100000211376_100000230001 [0,1,0,1,0,0|0,0,0]=2 24111 B11R1.17 CC1CCCCN1CCCO 269982a_100000211376_100011215043 [0,1,0,1,0,0|0,0,0]=2 24112 B11R1.17 CC1CCCCN1CCCO 34a_100000211376_100000230001 [0,1,0,1,0,0|0,0,0]=2 24113 B11R1.17 CC1CCCCN1CCN[13CH3] 2230a_100000739827_200025704644 [0,1,0,1,0,0|2,0,0]=4 24114 B11R1.17 CC1CCCCN1CCN[13CH3] 34a_100000739827_200025704644 [0,1,0,1,0,0|2,0,0]=4 24115 B11R1.17 CC1CCCCN1CCO[13CH3] 34a_100011305533_200025704644 [0,1,0,1,0,0|1,0,0]=3 24116 B11R1.17 CC1CCNCC1OCCF 34a_100000696640_100011217306 [0,1,0,1,0,0|2,0,0]=4 24117 B11R1.17 CC1CCNCC1OCCO 34a_100000696640_100000211926 [0,1,0,1,0,0|1,0,0]=3 24118 B11R1.17 CC1CNCCC1NCCO 270004a_100000210304_100000703950 [0,1,0,1,0,0|1,0,0]=3 24119 B11R1.17 CC1CNCCC1OCCF 34a_100011998114_100011217306 [0,1,0,1,0,0|2,0,0]=4 24120 B11R1.17 CC1CNCCC1OCCO 34a_100011998114_100000211926 [0,1,0,1,0,0|1,0,0]=3 24121 B11R1.17 CC1COCCC1NCCO 270004a_100000210304_100000755695 [0,1,0,1,0,0|1,0,0]=3 24122 B11R1.17 CCCCN1CCCCC1C 2230a_100000211376_100000210211 [0,1,0,1,0,0|1,0,0]=3 24123 B11R1.17 CCCCN1CCCCC1C 269982a_100000211376_100000210211 [0,1,0,1,0,0|1,0,0]=3 24124 B11R1.17 CCCCN1CCCCC1C 34a_100000211376_100000210210 [0,1,0,1,0,0|1,0,0]=3 24125 B11R1.17 CCCCN1CCOC[C@@H]1C 2230a_100009815349_100000210211 [0,1,0,1,0,0|2,0,0]=4 24126 B11R1.17 CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000210211 [0,1,0,1,0,0|2,0,0]=4 24127 B11R1.17 CCCCN1CCOC[C@@H]1C 34a_100009815349_100000210210 [0,1,0,1,0,0|2,0,0]=4 24128 B11R1.17 CCCNC1CCCCC1C 2230a_100000211402_100000210303 [0,1,0,1,0,0|1,0,0]=3 24129 B11R1.17 CCCNC1CCCCC1C 269862a_100020643023_100000210921 [0,1,0,1,0,0|1,0,0]=3 24130 B11R1.17 CCCNC1CCCCC1C 270004a_100020643023_100000210921 [0,1,0,1,0,0|1,0,0]=3 24131 B11R1.17 CCCNC1CCCCC1C 34a_100000211402_100000210303 [0,1,0,1,0,0|1,0,0]=3 24132 B11R1.17 CCCNC1CCNCC1C 270004a_100020643023_100000703950 [0,1,0,1,0,0|2,0,0]=4 24133 B11R1.17 CCCNC1CCOCC1C 270004a_100020643023_100000755695 [0,1,0,1,0,0|2,0,0]=4 24134 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210303 [0,1,0,1,0,0|1,0,0]=3 24135 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210303 [0,1,0,1,0,0|1,0,0]=3 24136 B11R1.17 CCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210303 [0,1,0,1,0,0|1,0,0]=3 24137 B11R1.17 CCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000210303 [0,1,0,1,0,0|2,0,0]=4 24138 B11R1.17 CCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000210303 [0,1,0,1,0,0|2,0,0]=4 24139 B11R1.17 CCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210303 [0,1,0,1,0,0|1,0,0]=3 24140 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [0,1,0,1,0,0|0,0,2]=4 24141 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [0,1,0,1,0,0|0,0,2]=4 24142 B11R1.17 CCCOC1CCCCC1C 34a_100000211207_100000210303 [0,1,0,1,0,0|1,0,0]=3 24143 B11R1.17 CCCOC1CCCCC1C 7a_100000211207_100000210303 [0,1,0,1,0,0|1,0,0]=3 24144 B11R1.17 CCCOC1CCCCC1Cl 34a_100000038908_100000210303 [0,1,0,1,0,0|1,0,0]=3 24145 B11R1.17 CCCOC1CCCCC1Cl 7a_100000038908_100000210303 [0,1,0,1,0,0|1,0,0]=3 24146 B11R1.17 CCCOC1CCCCC1F 34a_100000210258_100015423560 [0,1,0,1,0,0|1,0,0]=3 24147 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [0,1,0,1,0,0|0,0,0]=2 24148 B11R1.17 CCCOC1CCNCC1C 34a_100011998114_100000210303 [0,1,0,1,0,0|2,0,0]=4 24149 B11R1.17 CCCOC1CNCCC1C 34a_100000696640_100000210303 [0,1,0,1,0,0|2,0,0]=4 24150 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210303 [0,1,0,1,0,0|1,0,0]=3 24151 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210303 [0,1,0,1,0,0|1,0,0]=3 24152 B11R1.17 CCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000210303 [0,1,0,1,0,0|2,0,0]=4 24153 B11R1.17 CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210303 [0,1,0,1,0,0|1,0,0]=3 24154 B11R1.17 CCCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000210303 [0,1,0,1,0,0|2,0,0]=4 24155 B11R1.17 CCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210303 [0,1,0,1,0,0|2,0,0]=4 24156 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [0,1,0,1,0,0|0,0,2]=4 24157 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [0,1,0,1,0,0|0,0,2]=4 24158 B11R1.17 CCCSC1CCCCC1F 62a_100000210303_100015423560 [0,1,0,1,0,0|1,0,0]=3 24159 B11R1.17 CCCSC1CCCCC1F 62a_100015423560_100000210303 [0,1,0,1,0,0|1,0,0]=3 24160 B11R1.17 CCCSC1CCCCC1O 62a_100000038908_100000210303 [0,1,0,1,0,0|0,0,0]=2 24161 B11R1.17 CCCSC1CCCCC1O 62a_100000210303_100000038908 [0,1,0,1,0,0|0,0,0]=2 24162 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [0,1,0,1,0,0|0,0,0]=2 24163 B11R1.17 CCNCC1CCCCN1C 34a_100011228421_100000210202 [0,1,0,1,0,0|2,0,0]=4 24164 B11R1.17 CCNN=C1CCCCC1O 4a_100000756455_100011214950 [0,1,0,1,0,0|1,0,1]=4 24165 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [0,1,0,1,0,0|0,0,2]=4 24166 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [0,1,0,1,0,0|0,0,2]=4 24167 B11R1.17 CCOCC1CCCCN1C 34a_100000225079_100000210202 [0,1,0,1,0,0|2,0,0]=4 24168 B11R1.17 CCOCC1CCCCN1C 34a_100121572206_100015186950 [0,1,0,1,0,0|2,0,0]=4 24169 B11R1.17 CCOCC1COCCC1N 34a_214813039666_100000210202 [0,1,0,1,0,0|2,0,0]=4 24170 B11R1.17 CCOCN1CCCCC1C 269982a_100000211376_100000739092 [0,1,0,1,0,0|2,0,0]=4 24171 B11R1.17 CCSCC1CCCCN1C 62a_100000210202_100015185383 [0,1,0,1,0,0|2,0,0]=4 24172 B11R1.17 CCSCC1CCCCN1C 62a_100015185383_100000210202 [0,1,0,1,0,0|2,0,0]=4 24173 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [0,1,0,1,0,0|0,0,0]=2 24174 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [0,1,0,1,0,0|0,0,0]=2 24175 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [0,1,0,1,0,0|0,0,0]=2 24176 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_100000211948_200025704644 [0,1,0,1,0,0|1,1,0]=4 24177 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_200025704644_100000211948 [0,1,0,1,0,0|1,1,0]=4 24178 B11R1.17 CN1CCCCC1CNCF 34a_100011228421_100015361967 [0,1,0,1,0,0|2,0,0]=4 24179 B11R1.17 CN1CCCCC1COCF 34a_100000225079_100015361967 [0,1,0,1,0,0|2,0,0]=4 24180 B11R1.17 CN1CCCCC1CSCF 62a_100015185383_100015361967 [0,1,0,1,0,0|2,0,0]=4 24181 B11R1.17 CN1CCCCC1CSCF 62a_100015361967_100015185383 [0,1,0,1,0,0|2,0,0]=4 24182 B11R1.17 CNCCC1CCCCN1C 2230a_106832991635_100000211948 [0,1,0,1,0,0|2,0,0]=4 24183 B11R1.17 CNCCC1CCCCN1C 34a_100102657272_100000211948 [0,1,0,1,0,0|2,0,0]=4 24184 B11R1.17 CNCCC1CCCCN1C 7a_106832991635_100000211948 [0,1,0,1,0,0|2,0,0]=4 24185 B11R1.17 CNCCN1CCCCC1C 2230a_100000739827_200000210301 [0,1,0,1,0,0|2,0,0]=4 24186 B11R1.17 CNCCN1CCCCC1C 34a_100000739827_200000210301 [0,1,0,1,0,0|2,0,0]=4 24187 B11R1.17 COCCC1CCCCN1C 2230a_100015186528_200000210301 [0,1,0,1,0,0|1,0,0]=3 24188 B11R1.17 COCCC1CCCCN1C 269982a_100015186528_200000210301 [0,1,0,1,0,0|1,0,0]=3 24189 B11R1.17 COCCC1CCCCN1C 34a_100015186528_200000210301 [0,1,0,1,0,0|1,0,0]=3 24190 B11R1.17 COCCC1CCCCN1C 34a_100138415774_100000211948 [0,1,0,1,0,0|1,0,0]=3 24191 B11R1.17 COCCC1CCCCN1[13CH3] 2230a_100015186528_200025704644 [0,1,0,1,0,0|1,0,0]=3 24192 B11R1.17 COCCC1CCCCN1[13CH3] 269982a_100015186528_200025704644 [0,1,0,1,0,0|1,0,0]=3 24193 B11R1.17 COCCC1CCCCN1[13CH3] 34a_100015186528_200025704644 [0,1,0,1,0,0|1,0,0]=3 24194 B11R1.17 COCCN1CCCCC1C 2230a_100000211376_100011201679 [0,1,0,1,0,0|1,0,0]=3 24195 B11R1.17 COCCN1CCCCC1C 269982a_100000211376_100000233755 [0,1,0,1,0,0|1,0,0]=3 24196 B11R1.17 COCCN1CCCCC1C 34a_100000211376_100011201679 [0,1,0,1,0,0|1,0,0]=3 24197 B11R1.17 COCCN1CCCCC1C 34a_100011305533_200000210301 [0,1,0,1,0,0|1,0,0]=3 24198 B11R1.17 COCCN1CCOC[C@@H]1C 2230a_100009815349_100011201679 [0,1,0,1,0,0|2,0,0]=4 24199 B11R1.17 COCCN1CCOC[C@@H]1C 269982a_100009815349_100000233755 [0,1,0,1,0,0|2,0,0]=4 24200 B11R1.17 COCCN1CCOC[C@@H]1C 34a_100009815349_100011201679 [0,1,0,1,0,0|2,0,0]=4 24201 B11R1.17 COCNC1CCCCC1C 2230a_100000211402_100000766300 [0,1,0,1,0,0|1,0,0]=3 24202 B11R1.17 COCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000766300 [0,1,0,1,0,0|2,0,0]=4 24203 B11R1.17 COCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000766300 [0,1,0,1,0,0|2,0,0]=4 24204 B11R1.17 COCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000766300 [0,1,0,1,0,0|2,0,0]=4 24205 B11R1.17 COCSC1CCCCC1F 62a_100000766300_100015423560 [0,1,0,1,0,0|2,0,0]=4 24206 B11R1.17 COCSC1CCCCC1F 62a_100015423560_100000766300 [0,1,0,1,0,0|2,0,0]=4 24207 B11R1.17 COCSC1CCCCC1O 62a_100000038908_100000766300 [0,1,0,1,0,0|1,0,0]=3 24208 B11R1.17 COCSC1CCCCC1O 62a_100000766300_100000038908 [0,1,0,1,0,0|1,0,0]=3 24209 B11R1.17 CSCCC1CCCCN1C 62a_100000211948_200000210301 [0,1,0,1,0,0|1,1,0]=4 24210 B11R1.17 CSCCC1CCCCN1C 62a_200000210301_100000211948 [0,1,0,1,0,0|1,1,0]=4 24211 B11R1.17 CSCCN1CCCCC1C 2230a_100000211376_100000751147 [0,1,0,1,0,0|1,1,0]=4 24212 B11R1.17 CSCCN1CCCCC1C 269982a_100000211376_100000212216 [0,1,0,1,0,0|1,1,0]=4 24213 B11R1.17 CSCCN1CCCCC1C 34a_100000211376_100000212216 [0,1,0,1,0,0|1,1,0]=4 24214 B11R1.17 CSCNC1CCCCC1C 2230a_100000211402_100011218213 [0,1,0,1,0,0|1,1,0]=4 24215 B11R1.17 CSCNC1CCCCC1C 34a_100000211402_100011218213 [0,1,0,1,0,0|1,1,0]=4 24216 B11R1.17 CSCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011218213 [0,1,0,1,0,0|2,0,0]=4 24217 B11R1.17 CSCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011218213 [0,1,0,1,0,0|2,0,0]=4 24218 B11R1.17 CSCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100011218213 [0,1,0,1,0,0|2,0,0]=4 24219 B11R1.17 CSCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100011218213 [0,1,0,1,0,0|2,0,0]=4 24220 B11R1.17 CSCOC1CCCCC1C 34a_100000211207_100011218213 [0,1,0,1,0,0|1,1,0]=4 24221 B11R1.17 CSCOC1CCCCC1Cl 34a_100000038908_100011218213 [0,1,0,1,0,0|2,0,0]=4 24222 B11R1.17 CSCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011218213 [0,1,0,1,0,0|2,0,0]=4 24223 B11R1.17 CSCO[C@H]1CCCC[C@H]1N 34a_100015191688_100011218213 [0,1,0,1,0,0|2,0,0]=4 24224 B11R1.17 CSCSC1CCCCC1F 62a_100011218213_100015423560 [0,1,0,1,0,0|2,0,0]=4 24225 B11R1.17 CSCSC1CCCCC1F 62a_100015423560_100011218213 [0,1,0,1,0,0|2,0,0]=4 24226 B11R1.17 CSCSC1CCCCC1O 62a_100000038908_100011218213 [0,1,0,1,0,0|1,0,0]=3 24227 B11R1.17 CSCSC1CCCCC1O 62a_100011218213_100000038908 [0,1,0,1,0,0|1,0,0]=3 24228 B11R1.17 C[C@H]1COCCN1CCCF 2230a_100009815349_100011934791 [0,1,0,1,0,0|2,0,0]=4 24229 B11R1.17 C[C@H]1COCCN1CCCF 269982a_100009815349_100011934791 [0,1,0,1,0,0|2,0,0]=4 24230 B11R1.17 C[C@H]1COCCN1CCCF 34a_100009815349_100011934791 [0,1,0,1,0,0|2,0,0]=4 24231 B11R1.17 C[C@H]1COCCN1CCCO 2230a_100009815349_100000230001 [0,1,0,1,0,0|1,0,0]=3 24232 B11R1.17 C[C@H]1COCCN1CCCO 269982a_100009815349_100011215043 [0,1,0,1,0,0|1,0,0]=3 24233 B11R1.17 C[C@H]1COCCN1CCCO 34a_100009815349_100000230001 [0,1,0,1,0,0|1,0,0]=3 24234 B11R1.17 FC1CCCCC1OCCBr 34a_100000211926_100015423560 [0,1,0,1,0,0|2,0,0]=4 24235 B11R1.17 FCCNC1CCCCC1F 34a_100000724931_100015423560 [0,1,0,1,0,0|2,0,0]=4 24236 B11R1.17 FCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011217306 [0,1,0,1,0,0|2,0,0]=4 24237 B11R1.17 FCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011217306 [0,1,0,1,0,0|2,0,0]=4 24238 B11R1.17 FCCOC1CCCCC1Cl 34a_100000038908_100011217306 [0,1,0,1,0,0|2,0,0]=4 24239 B11R1.17 FCCOC1CCCCC1Cl 7a_100000038908_100011217306 [0,1,0,1,0,0|2,0,0]=4 24240 B11R1.17 FCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011217306 [0,1,0,1,0,0|2,0,0]=4 24241 B11R1.17 FCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011217306 [0,1,0,1,0,0|2,0,0]=4 24242 B11R1.17 FCCSC1CCCCC1F 62a_100011217306_100015423560 [0,1,0,1,0,0|2,0,0]=4 24243 B11R1.17 FCCSC1CCCCC1F 62a_100015423560_100011217306 [0,1,0,1,0,0|2,0,0]=4 24244 B11R1.17 N#CCSC1CCCCC1O 62a_100000038908_100011215382 [0,1,0,1,0,0|1,0,1]=4 24245 B11R1.17 N#CCSC1CCCCC1O 62a_100011215382_100000038908 [0,1,0,1,0,0|1,0,1]=4 24246 B11R1.17 NCCOC1CCCCC1F 34a_100000210304_100015423560 [0,1,0,1,0,0|2,0,0]=4 24247 B11R1.17 NCCOC1CCCCC1O 34a_100000210304_100000038908 [0,1,0,1,0,0|1,0,0]=3 24248 B11R1.17 N[C@@H]1CCCC[C@@H]1OCCF 34a_100015191688_100011217306 [0,1,0,1,0,0|2,0,0]=4 24249 B11R1.17 N[C@@H]1CCCC[C@@H]1OCCO 34a_100015191688_100000211926 [0,1,0,1,0,0|1,0,0]=3 24250 B11R1.17 N[C@@H]1CCOC[C@@H]1OCCO 34a_100016994285_100000211926 [0,1,0,1,0,0|2,0,0]=4 24251 B11R1.17 N[C@H]1COCC[C@@H]1OCCO 34a_100015739063_100000211926 [0,1,0,1,0,0|2,0,0]=4 24252 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [0,1,0,1,0,0|1,0,1]=4 24253 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [0,1,0,1,0,0|1,0,1]=4 24254 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [0,1,0,1,0,0|1,0,1]=4 24255 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [0,1,0,1,0,0|1,0,1]=4 24256 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [0,1,0,1,0,0|1,0,1]=4 24257 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [0,1,0,1,0,0|1,0,1]=4 24258 B11R1.17 OC1CCCCC1CNCF 34a_100011216029_100015361967 [0,1,0,1,0,0|1,0,0]=3 24259 B11R1.17 OC1CCCCC1NCCF 34a_100000724931_100000038908 [0,1,0,1,0,0|1,0,0]=3 24260 B11R1.17 OC1CCCCC1OCCBr 34a_100000211926_100000038908 [0,1,0,1,0,0|1,0,0]=3 24261 B11R1.17 OC1CCCCC1SCCF 62a_100000038908_100011217306 [0,1,0,1,0,0|1,0,0]=3 24262 B11R1.17 OC1CCCCC1SCCF 62a_100011217306_100000038908 [0,1,0,1,0,0|1,0,0]=3 24263 B11R1.17 OCCNC1CCCCC1F 34a_100016990907_100015423560 [0,1,0,1,0,0|1,0,0]=3 24264 B11R1.17 OCCNC1CCCCC1O 34a_100016990907_100000038908 [0,1,0,1,0,0|1,0,0]=3 24265 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000211926 [0,1,0,1,0,0|1,0,0]=3 24266 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000211926 [0,1,0,1,0,0|1,0,0]=3 24267 B11R1.17 OCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000211926 [0,1,0,1,0,0|2,0,0]=4 24268 B11R1.17 OCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000211926 [0,1,0,1,0,0|2,0,0]=4 24269 B11R1.17 OCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000211926 [0,1,0,1,0,0|2,0,0]=4 24270 B11R1.17 OCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000211926 [0,1,0,1,0,0|2,0,0]=4 24271 B11R1.17 OCCOC1CCCCC1Cl 34a_100000038908_100000211926 [0,1,0,1,0,0|1,0,0]=3 24272 B11R1.17 OCCOC1CCCCC1Cl 7a_100000038908_100000211926 [0,1,0,1,0,0|1,0,0]=3 24273 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000211926 [0,1,0,1,0,0|1,0,0]=3 24274 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000211926 [0,1,0,1,0,0|1,0,0]=3 24275 B11R1.17 OCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000211926 [0,1,0,1,0,0|2,0,0]=4 24276 B11R1.17 OCCSC1CCCCC1F 62a_100000211926_100015423560 [0,1,0,1,0,0|1,0,0]=3 24277 B11R1.17 OCCSC1CCCCC1F 62a_100015423560_100000211926 [0,1,0,1,0,0|1,0,0]=3 24278 B11R1.17 OCCSC1CCCCC1O 62a_100000038908_100000211926 [0,1,0,1,0,0|1,0,0]=3 24279 B11R1.17 OCCSC1CCCCC1O 62a_100000211926_100000038908 [0,1,0,1,0,0|1,0,0]=3 24280 B11R1.17 O[C@H]1CCOC[C@@H]1NCCF 2230a_100015739063_100011217306 [0,1,0,1,0,0|2,0,0]=4 24281 B11R1.17 O[C@H]1COCC[C@H]1NCCF 2230a_100016994285_100011217306 [0,1,0,1,0,0|2,0,0]=4 24282 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [0,1,0,1,0,0|0,0,0]=2 24283 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [0,1,0,1,0,0|0,0,0]=2 24284 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [0,1,0,1,0,0|0,0,0]=2 24285 B11R1.18 C#CCCN1CCCC1CC 2230a_100000754278_100000688953 [0,1,0,1,0,0|1,0,1]=4 24286 B11R1.18 C#CCCN1CCCC1CC 269982a_100000754278_100000730999 [0,1,0,1,0,0|1,0,1]=4 24287 B11R1.18 C#CCCN1CCCC1CC 34a_100000754278_100000688953 [0,1,0,1,0,0|1,0,1]=4 24288 B11R1.18 C#CCCN1CCC[C@@H]1CO 2230a_100000745186_100000688953 [0,1,0,1,0,0|0,0,2]=4 24289 B11R1.18 C#CCCN1CCC[C@@H]1CO 269982a_100000745186_100000730999 [0,1,0,1,0,0|0,0,2]=4 24290 B11R1.18 C#CCCN1CCC[C@@H]1CO 34a_100000745186_100000688953 [0,1,0,1,0,0|0,0,2]=4 24291 B11R1.18 C/C=C/CN1CCC[C@@H]1CO 269982a_100000745186_100102629194 [0,1,0,1,0,0|0,0,2]=4 24292 B11R1.18 C/C=C/CN1CCC[C@@H]1CO 34a_100000745186_100102629194 [0,1,0,1,0,0|0,0,2]=4 24293 B11R1.18 C=CCCN1CCCC1CC 2230a_100000754278_100000754431 [0,1,0,1,0,0|1,0,1]=4 24294 B11R1.18 C=CCCN1CCCC1CC 269982a_100000754278_100000754431 [0,1,0,1,0,0|1,0,1]=4 24295 B11R1.18 C=CCCN1CCCC1CC 34a_100000754278_100000754431 [0,1,0,1,0,0|1,0,1]=4 24296 B11R1.18 C=CCCN1CCC[C@@H]1CO 2230a_100000745186_100000754431 [0,1,0,1,0,0|0,0,2]=4 24297 B11R1.18 C=CCCN1CCC[C@@H]1CO 269982a_100000745186_100000754431 [0,1,0,1,0,0|0,0,2]=4 24298 B11R1.18 C=CCCN1CCC[C@@H]1CO 34a_100000745186_100000754431 [0,1,0,1,0,0|0,0,2]=4 24299 B11R1.18 C=CCNC1CCCC1CC 270004a_100020586998_100000749056 [0,1,0,1,0,0|1,0,1]=4 24300 B11R1.18 CC#CCN1CCC[C@@H]1CO 2230a_100000745186_100000748600 [0,1,0,1,0,0|0,0,2]=4 24301 B11R1.18 CC#CCN1CCC[C@@H]1CO 34a_100000745186_100000748600 [0,1,0,1,0,0|0,0,2]=4 24302 B11R1.18 CC=CCN1CCC[C@@H]1CO 2230a_100000745186_100000070051 [0,1,0,1,0,0|0,0,2]=4 24303 B11R1.18 CC=CCN1CCC[C@@H]1CO 34a_100000745186_100000070051 [0,1,0,1,0,0|0,0,2]=4 24304 B11R1.18 CCC1C=CCN1CCCO 2230a_100000730860_100000230001 [0,1,0,1,0,0|0,0,2]=4 24305 B11R1.18 CCC1C=CCN1CCCO 269982a_100000730860_100011215043 [0,1,0,1,0,0|0,0,2]=4 24306 B11R1.18 CCC1C=CCN1CCCO 34a_100000730860_100000230001 [0,1,0,1,0,0|0,0,2]=4 24307 B11R1.18 CCC1CCCC1NCCF 269862a_100000724931_100000749056 [0,1,0,1,0,0|1,0,0]=3 24308 B11R1.18 CCC1CCCC1NCCO 269862a_100000210304_100000749056 [0,1,0,1,0,0|0,0,0]=2 24309 B11R1.18 CCC1CCCC1NCCO 270004a_100000210304_100000749056 [0,1,0,1,0,0|0,0,0]=2 24310 B11R1.18 CCC1CCCN1CCC#N 2230a_100000754278_100011215226 [0,1,0,1,0,0|1,0,1]=4 24311 B11R1.18 CCC1CCCN1CCC#N 269982a_100000754278_100011215226 [0,1,0,1,0,0|1,0,1]=4 24312 B11R1.18 CCC1CCCN1CCCF 2230a_100000754278_100011934791 [0,1,0,1,0,0|1,0,0]=3 24313 B11R1.18 CCC1CCCN1CCCF 269982a_100000754278_100011934791 [0,1,0,1,0,0|1,0,0]=3 24314 B11R1.18 CCC1CCCN1CCCF 34a_100000754278_100011934791 [0,1,0,1,0,0|1,0,0]=3 24315 B11R1.18 CCC1CCCN1CCCO 2230a_100000754278_100000230001 [0,1,0,1,0,0|0,0,0]=2 24316 B11R1.18 CCC1CCCN1CCCO 269982a_100000754278_100011215043 [0,1,0,1,0,0|0,0,0]=2 24317 B11R1.18 CCC1CCCN1CCCO 34a_100000754278_100000230001 [0,1,0,1,0,0|0,0,0]=2 24318 B11R1.18 CCC1CCCN1CCOC 2230a_100000754278_100011201679 [0,1,0,1,0,0|1,0,0]=3 24319 B11R1.18 CCC1CCCN1CCOC 269982a_100000754278_100000233755 [0,1,0,1,0,0|1,0,0]=3 24320 B11R1.18 CCC1CCCN1CCOC 34a_100000754278_100011201679 [0,1,0,1,0,0|1,0,0]=3 24321 B11R1.18 CCC1CCCN1CCSC 2230a_100000754278_100000751147 [0,1,0,1,0,0|1,1,0]=4 24322 B11R1.18 CCC1CCCN1CCSC 269982a_100000754278_100000212216 [0,1,0,1,0,0|1,1,0]=4 24323 B11R1.18 CCC1CCCN1CCSC 34a_100000754278_100000212216 [0,1,0,1,0,0|1,1,0]=4 24324 B11R1.18 CCCCC1CCCC1NC 269862a_106832991636_100000750825 [0,1,0,1,0,0|1,0,0]=3 24325 B11R1.18 CCCCC1CCCC1NC 270004a_106832991635_100000750825 [0,1,0,1,0,0|1,0,0]=3 24326 B11R1.18 CCCCN1CCCC1C#N 2230a_100000701862_100000210211 [0,1,0,1,0,0|1,0,1]=4 24327 B11R1.18 CCCCN1CCCC1CC 2230a_100000754278_100000210211 [0,1,0,1,0,0|1,0,0]=3 24328 B11R1.18 CCCCN1CCCC1CC 269982a_100000754278_100000210211 [0,1,0,1,0,0|1,0,0]=3 24329 B11R1.18 CCCCN1CCCC1CC 34a_100000754278_100000210210 [0,1,0,1,0,0|1,0,0]=3 24330 B11R1.18 CCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210211 [0,1,0,1,0,0|1,0,1]=4 24331 B11R1.18 CCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210211 [0,1,0,1,0,0|1,0,1]=4 24332 B11R1.18 CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210211 [0,1,0,1,0,0|0,0,0]=2 24333 B11R1.18 CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210211 [0,1,0,1,0,0|0,0,0]=2 24334 B11R1.18 CCCCN1CCC[C@@H]1CO 34a_100000745186_100000210210 [0,1,0,1,0,0|0,0,0]=2 24335 B11R1.18 CCCNC1CCCC1CC 269862a_100020643023_100000749056 [0,1,0,1,0,0|1,0,0]=3 24336 B11R1.18 CCCNC1CCCC1CC 270004a_100020643023_100000749056 [0,1,0,1,0,0|1,0,0]=3 24337 B11R1.18 CCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210303 [0,1,0,1,0,0|1,0,1]=4 24338 B11R1.18 CCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210303 [0,1,0,1,0,0|1,0,1]=4 24339 B11R1.18 CCN1CCC[C@@H]1COCF 34a_100011739246_100015361967 [0,1,0,1,0,0|2,0,0]=4 24340 B11R1.18 CCN1CCC[C@@H]1COCF 7a_100011739246_100015361967 [0,1,0,1,0,0|2,0,0]=4 24341 B11R1.18 CCNCC1CCCN1CC 2230a_100000211693_100000210202 [0,1,0,1,0,0|2,0,0]=4 24342 B11R1.18 CCOCN1CCCC1CC 269982a_100000754278_100000739092 [0,1,0,1,0,0|2,0,0]=4 24343 B11R1.18 CCOCN1CCC[C@@H]1CO 269982a_100000745186_100000739092 [0,1,0,1,0,0|1,0,0]=3 24344 B11R1.18 CCOC[C@H]1CCCN1CC 34a_100011739246_100000210202 [0,1,0,1,0,0|2,0,0]=4 24345 B11R1.18 CCOC[C@H]1CCCN1CC 7a_100011739246_100000210202 [0,1,0,1,0,0|2,0,0]=4 24346 B11R1.18 CNC1CCCC1CCC#N 270004a_106832991635_100000073560 [0,1,0,1,0,0|1,0,1]=4 24347 B11R1.18 COCCN1CCC[C@@H]1CO 2230a_100000745186_100011201679 [0,1,0,1,0,0|1,0,0]=3 24348 B11R1.18 COCCN1CCC[C@@H]1CO 269982a_100000745186_100000233755 [0,1,0,1,0,0|1,0,0]=3 24349 B11R1.18 COCCN1CCC[C@@H]1CO 34a_100000745186_100011201679 [0,1,0,1,0,0|1,0,0]=3 24350 B11R1.18 CSCCN1CCC[C@@H]1CO 2230a_100000745186_100000751147 [0,1,0,1,0,0|1,0,0]=3 24351 B11R1.18 CSCCN1CCC[C@@H]1CO 269982a_100000745186_100000212216 [0,1,0,1,0,0|1,0,0]=3 24352 B11R1.18 CSCCN1CCC[C@@H]1CO 34a_100000745186_100000212216 [0,1,0,1,0,0|1,0,0]=3 24353 B11R1.18 N#CC1CCCN1CCCO 2230a_100000701862_100000230001 [0,1,0,1,0,0|1,0,1]=4 24354 B11R1.18 N#CCCN1CCC[C@@H]1CO 2230a_100000745186_100011215226 [0,1,0,1,0,0|1,0,1]=4 24355 B11R1.18 N#CCCN1CCC[C@@H]1CO 269982a_100000745186_100011215226 [0,1,0,1,0,0|1,0,1]=4 24356 B11R1.18 N#C[C@@H]1CCC[C@H]1OCCO 34a_100011907464_100000211926 [0,1,0,1,0,0|1,0,1]=4 24357 B11R1.18 N#C[C@@H]1CCC[C@H]1OCCO 7a_100011907464_100000211926 [0,1,0,1,0,0|1,0,1]=4 24358 B11R1.18 N#C[C@H]1CCCN1CCCO 2230a_106645074975_100000230001 [0,1,0,1,0,0|1,0,1]=4 24359 B11R1.18 N#C[C@H]1CCCN1CCCO 269982a_106645074975_100011215043 [0,1,0,1,0,0|1,0,1]=4 24360 B11R1.18 OCCCN1CCC[C@@H]1CO 2230a_100000745186_100000230001 [0,1,0,1,0,0|1,0,0]=3 24361 B11R1.18 OCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215043 [0,1,0,1,0,0|1,0,0]=3 24362 B11R1.18 OCCCN1CCC[C@@H]1CO 34a_100000745186_100000230001 [0,1,0,1,0,0|1,0,0]=3 24363 B11R1.18 OC[C@H]1CCCN1CCCF 2230a_100000745186_100011934791 [0,1,0,1,0,0|1,0,0]=3 24364 B11R1.18 OC[C@H]1CCCN1CCCF 269982a_100000745186_100011934791 [0,1,0,1,0,0|1,0,0]=3 24365 B11R1.18 OC[C@H]1CCCN1CCCF 34a_100000745186_100011934791 [0,1,0,1,0,0|1,0,0]=3 24366 B11R1.28 BrCCCOC1CCCCC1 34a_100011217188_100000210327 [0,1,0,1,0,0|1,0,0]=3 24367 B11R1.28 BrCCCOC1CCCOC1 34a_100011217188_100000693364 [0,1,0,1,0,0|2,0,0]=4 24368 B11R1.28 BrCCCOC1CCSCC1 34a_100011217188_100000069128 [0,1,0,1,0,0|2,0,0]=4 24369 B11R1.28 BrCCOCC1CCCCC1 34a_100000211926_100000211423 [0,1,0,1,0,0|1,0,0]=3 24370 B11R1.28 BrCCOCC1CCCCO1 34a_100000211926_100000211543 [0,1,0,1,0,0|1,0,0]=3 24371 B11R1.28 BrCCOCC1CCCOC1 34a_100000211926_100000741521 [0,1,0,1,0,0|2,0,0]=4 24372 B11R1.28 BrCCOCC1CCOCC1 34a_100000211926_100000754603 [0,1,0,1,0,0|2,0,0]=4 24373 B11R1.28 C#CCCNC1CCCCC1 2230a_100000182618_100000688953 [0,1,0,1,0,0|1,0,1]=4 24374 B11R1.28 C#CCCNC1CCCCC1 34a_100000182618_100000688953 [0,1,0,1,0,0|1,0,1]=4 24375 B11R1.28 C#CCCNC1CCCCC1 34a_100000755551_100000210327 [0,1,0,1,0,0|1,0,1]=4 24376 B11R1.28 C#CCCOC1CCCCC1 34a_100000210231_100000688953 [0,1,0,1,0,0|1,0,1]=4 24377 B11R1.28 C#CCCOC1CCCCC1 34a_100011215631_100000210327 [0,1,0,1,0,0|1,0,1]=4 24378 B11R1.28 C#CCCOC1CCCCC1 7a_100000210231_100000688953 [0,1,0,1,0,0|1,0,1]=4 24379 B11R1.28 C#CCCOC1CCCCO1 34a_100000033831_100000688953 [0,1,0,1,0,0|0,0,2]=4 24380 B11R1.28 C#CCCSC1CCCCC1 62a_100000210327_100000688953 [0,1,0,1,0,0|1,0,1]=4 24381 B11R1.28 C#CCCSC1CCCCC1 62a_100000688953_100000210327 [0,1,0,1,0,0|1,0,1]=4 24382 B11R1.28 C#CCNCC1CCCCC1 2230a_100000210473_100000038162 [0,1,0,1,0,0|1,0,1]=4 24383 B11R1.28 C#CCNCC1CCCCC1 34a_100000210473_100000184674 [0,1,0,1,0,0|1,0,1]=4 24384 B11R1.28 C#CCNCC1CCCCC1 34a_100000212058_100000211423 [0,1,0,1,0,0|1,0,1]=4 24385 B11R1.28 C#CCNCC1CCCCO1 2230a_100000174945_100000038162 [0,1,0,1,0,0|0,0,2]=4 24386 B11R1.28 C#CCNCC1CCCCO1 34a_100000174945_100000184674 [0,1,0,1,0,0|0,0,2]=4 24387 B11R1.28 C#CCNCC1CCCCO1 34a_100000212058_100000211543 [0,1,0,1,0,0|0,0,2]=4 24388 B11R1.28 C#CCOCC1CCCCC1 34a_100000210247_100000211423 [0,1,0,1,0,0|1,0,1]=4 24389 B11R1.28 C#CCOCC1CCCCC1 34a_100000212181_100000184674 [0,1,0,1,0,0|1,0,1]=4 24390 B11R1.28 C#CCOCC1CCCCC1 7a_100000212181_100000038162 [0,1,0,1,0,0|1,0,1]=4 24391 B11R1.28 C#CCOCC1CCCCO1 34a_100000210247_100000211543 [0,1,0,1,0,0|0,0,2]=4 24392 B11R1.28 C#CCOCC1CCCCO1 34a_100000211370_100000184674 [0,1,0,1,0,0|0,0,2]=4 24393 B11R1.28 C#CCOCC1CCCCO1 7a_100000211370_100000038162 [0,1,0,1,0,0|0,0,2]=4 24394 B11R1.28 C#CCSCC1CCCCC1 62a_100000038162_100000211423 [0,1,0,1,0,0|1,0,1]=4 24395 B11R1.28 C#CCSCC1CCCCO1 62a_100000038162_100000211543 [0,1,0,1,0,0|0,0,2]=4 24396 B11R1.28 C/C=C/COC1CCCCO1 34a_100000033831_100102629194 [0,1,0,1,0,0|0,0,2]=4 24397 B11R1.28 C=CCCNC1CCCCC1 2230a_100000182618_100000754431 [0,1,0,1,0,0|1,0,1]=4 24398 B11R1.28 C=CCCNC1CCCCC1 270004a_100015191253_100000210434 [0,1,0,1,0,0|1,0,1]=4 24399 B11R1.28 C=CCCNC1CCCCC1 34a_100000182618_100000754431 [0,1,0,1,0,0|1,0,1]=4 24400 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [0,1,0,1,0,0|1,0,1]=4 24401 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [0,1,0,1,0,0|1,0,1]=4 24402 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [0,1,0,1,0,0|1,0,1]=4 24403 B11R1.28 C=CCCOC1CCCCO1 34a_100000033831_100000754431 [0,1,0,1,0,0|0,0,2]=4 24404 B11R1.28 C=CCCSC1CCCCC1 62a_100000210327_100000754431 [0,1,0,1,0,0|1,0,1]=4 24405 B11R1.28 C=CCCSC1CCCCC1 62a_100000754431_100000210327 [0,1,0,1,0,0|1,0,1]=4 24406 B11R1.28 C=CCNCC1CCCCC1 2230a_100000210473_100000210623 [0,1,0,1,0,0|1,0,1]=4 24407 B11R1.28 C=CCNCC1CCCCC1 2230a_100020586998_100000211423 [0,1,0,1,0,0|1,0,1]=4 24408 B11R1.28 C=CCNCC1CCCCC1 34a_100000210473_100015514636 [0,1,0,1,0,0|1,0,1]=4 24409 B11R1.28 C=CCNCC1CCCCO1 2230a_100000174945_100000210623 [0,1,0,1,0,0|0,0,2]=4 24410 B11R1.28 C=CCNCC1CCCCO1 2230a_100020586998_100000211543 [0,1,0,1,0,0|0,0,2]=4 24411 B11R1.28 C=CCNCC1CCCCO1 34a_100000174945_100015514636 [0,1,0,1,0,0|0,0,2]=4 24412 B11R1.28 C=CCOCC1CCCCC1 34a_100000212181_100015514636 [0,1,0,1,0,0|1,0,1]=4 24413 B11R1.28 C=CCOCC1CCCCC1 34a_200000210373_100000211423 [0,1,0,1,0,0|1,0,1]=4 24414 B11R1.28 C=CCOCC1CCCCC1 7a_100000212181_100015514636 [0,1,0,1,0,0|1,0,1]=4 24415 B11R1.28 C=CCOCC1CCCCO1 34a_100000211370_100015514636 [0,1,0,1,0,0|0,0,2]=4 24416 B11R1.28 C=CCOCC1CCCCO1 34a_200000210373_100000211543 [0,1,0,1,0,0|0,0,2]=4 24417 B11R1.28 C=CCOCC1CCCCO1 7a_100000211370_100015514636 [0,1,0,1,0,0|0,0,2]=4 24418 B11R1.28 C=CCSCC1CCCCC1 62a_100000210623_100000211423 [0,1,0,1,0,0|1,0,1]=4 24419 B11R1.28 C=CCSCC1CCCCC1 62a_100000211423_100000210623 [0,1,0,1,0,0|1,0,1]=4 24420 B11R1.28 C=CCSCC1CCCCO1 62a_100000210623_100000211543 [0,1,0,1,0,0|0,0,2]=4 24421 B11R1.28 C=CCSCC1CCCCO1 62a_100000211543_100000210623 [0,1,0,1,0,0|0,0,2]=4 24422 B11R1.28 CC#CCOC1CCCCO1 34a_100000033831_100000748600 [0,1,0,1,0,0|0,0,2]=4 24423 B11R1.28 CC=CCOC1CCCCO1 34a_100000033831_100000070051 [0,1,0,1,0,0|0,0,2]=4 24424 B11R1.28 CCCCCN1CCCOC1 2230a_100000131196_100000210326 [0,1,0,1,0,0|1,0,0]=3 24425 B11R1.28 CCCCCN1CCCOC1 269982a_100000131196_100000210215 [0,1,0,1,0,0|1,0,0]=3 24426 B11R1.28 CCCCCN1CCCOC1 34a_100000131196_100000718602 [0,1,0,1,0,0|1,0,0]=3 24427 B11R1.28 CCCCCN1CCOCC1 2230a_100015191051_100000210326 [0,1,0,1,0,0|2,0,0]=4 24428 B11R1.28 CCCCCN1CCOCC1 269982a_100015191051_100000210215 [0,1,0,1,0,0|2,0,0]=4 24429 B11R1.28 CCCCCN1CCOCC1 34a_100015191051_100000718602 [0,1,0,1,0,0|2,0,0]=4 24430 B11R1.28 CCCCCN1CCSCC1 2230a_100000737611_100000210326 [0,1,0,1,0,0|2,0,0]=4 24431 B11R1.28 CCCCCN1CCSCC1 269982a_100000737611_100000210215 [0,1,0,1,0,0|2,0,0]=4 24432 B11R1.28 CCCCNC1C=CCCC1 2230a_100000102301_100000751183 [0,1,0,1,0,0|1,0,1]=4 24433 B11R1.28 CCCCNC1C=CCCC1 7a_106832991798_100000751183 [0,1,0,1,0,0|1,0,1]=4 24434 B11R1.28 CCCCNC1CCCCC1 2230a_100000182618_100000210211 [0,1,0,1,0,0|1,0,0]=3 24435 B11R1.28 CCCCNC1CCCCC1 270004a_100000102301_100000210434 [0,1,0,1,0,0|1,0,0]=3 24436 B11R1.28 CCCCNC1CCCCC1 34a_100000182618_100000210210 [0,1,0,1,0,0|1,0,0]=3 24437 B11R1.28 CCCCNC1CCCCC1 7a_106832991798_100000210327 [0,1,0,1,0,0|1,0,0]=3 24438 B11R1.28 CCCCNC1CCCOC1 2230a_100000719290_100000210211 [0,1,0,1,0,0|1,0,0]=3 24439 B11R1.28 CCCCNC1CCCOC1 270004a_100000102301_100000753404 [0,1,0,1,0,0|1,0,0]=3 24440 B11R1.28 CCCCNC1CCCOC1 34a_100000719290_100000210210 [0,1,0,1,0,0|1,0,0]=3 24441 B11R1.28 CCCCNC1CCCOC1 7a_106832991798_100000693364 [0,1,0,1,0,0|1,0,0]=3 24442 B11R1.28 CCCCNC1CCCSC1 270004a_100000102301_100000057913 [0,1,0,1,0,0|1,1,0]=4 24443 B11R1.28 CCCCNC1CCNCC1 270004a_100000102301_100015192401 [0,1,0,1,0,0|2,0,0]=4 24444 B11R1.28 CCCCNC1CCOCC1 2230a_100000741149_100000210211 [0,1,0,1,0,0|2,0,0]=4 24445 B11R1.28 CCCCNC1CCOCC1 270004a_100000102301_100011217826 [0,1,0,1,0,0|2,0,0]=4 24446 B11R1.28 CCCCNC1CCOCC1 34a_100000741149_100000210210 [0,1,0,1,0,0|2,0,0]=4 24447 B11R1.28 CCCCNC1CCOCC1 7a_106832991798_100000686592 [0,1,0,1,0,0|2,0,0]=4 24448 B11R1.28 CCCCNC1CCSCC1 2230a_100000748639_100000210211 [0,1,0,1,0,0|2,0,0]=4 24449 B11R1.28 CCCCNC1CCSCC1 270004a_100000102301_100000203788 [0,1,0,1,0,0|2,0,0]=4 24450 B11R1.28 CCCCNC1CCSCC1 34a_100000748639_100000210210 [0,1,0,1,0,0|2,0,0]=4 24451 B11R1.28 CCCCNC1CCSCC1 7a_106832991798_100011500858 [0,1,0,1,0,0|2,0,0]=4 24452 B11R1.28 CCCCOC1C=CCCC1 34a_100011215024_100000210210 [0,1,0,1,0,0|1,0,1]=4 24453 B11R1.28 CCCCOC1C=CCCC1 7a_100000210227_100000751183 [0,1,0,1,0,0|1,0,1]=4 24454 B11R1.28 CCCCOC1CCCCC1 34a_100000210227_100000210327 [0,1,0,1,0,0|1,0,0]=3 24455 B11R1.28 CCCCOC1CCCCC1 34a_100000210231_100000210210 [0,1,0,1,0,0|1,0,0]=3 24456 B11R1.28 CCCCOC1CCCCC1 7a_100000210227_100000210327 [0,1,0,1,0,0|1,0,0]=3 24457 B11R1.28 CCCCOC1CCCCC1 7a_100000210231_100000210211 [0,1,0,1,0,0|1,0,0]=3 24458 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [0,1,0,1,0,0|0,0,0]=2 24459 B11R1.28 CCCCOC1CCCOC1 34a_100000210227_100000693364 [0,1,0,1,0,0|1,0,0]=3 24460 B11R1.28 CCCCOC1CCCOC1 34a_100000754041_100000210210 [0,1,0,1,0,0|1,0,0]=3 24461 B11R1.28 CCCCOC1CCCOC1 7a_100000210227_100000693364 [0,1,0,1,0,0|1,0,0]=3 24462 B11R1.28 CCCCOC1CCCSC1 7a_100015962668_100000210211 [0,1,0,1,0,0|1,1,0]=4 24463 B11R1.28 CCCCOC1CCOCC1 34a_100000744328_100000210210 [0,1,0,1,0,0|2,0,0]=4 24464 B11R1.28 CCCCOC1CCOCC1 7a_100000210227_100000686592 [0,1,0,1,0,0|2,0,0]=4 24465 B11R1.28 CCCCOC1CCSCC1 34a_100000210227_100000069128 [0,1,0,1,0,0|2,0,0]=4 24466 B11R1.28 CCCCOC1CCSCC1 34a_100000731022_100000210210 [0,1,0,1,0,0|2,0,0]=4 24467 B11R1.28 CCCCOC1CCSCC1 7a_100000210227_100011500858 [0,1,0,1,0,0|2,0,0]=4 24468 B11R1.28 CCCCOC1CCSCC1 7a_100000731022_100000210211 [0,1,0,1,0,0|2,0,0]=4 24469 B11R1.28 CCCCSC1C=CCCC1 62a_100000210211_100000751183 [0,1,0,1,0,0|1,0,1]=4 24470 B11R1.28 CCCCSC1C=CCCC1 62a_100000751183_100000210210 [0,1,0,1,0,0|1,0,1]=4 24471 B11R1.28 CCCCSC1CCCCC1 62a_100000210211_100000210327 [0,1,0,1,0,0|1,0,0]=3 24472 B11R1.28 CCCCSC1CCCCC1 62a_100000210327_100000210210 [0,1,0,1,0,0|1,0,0]=3 24473 B11R1.28 CCCCSC1CCCOC1 62a_100000210211_100000693364 [0,1,0,1,0,0|1,0,0]=3 24474 B11R1.28 CCCCSC1CCOCC1 62a_100000210211_100011324220 [0,1,0,1,0,0|2,0,0]=4 24475 B11R1.28 CCCCSC1CCSCC1 62a_100000210211_100000069128 [0,1,0,1,0,0|2,0,0]=4 24476 B11R1.28 CCCNCC1CCCCC1 2230a_100000210473_100000210303 [0,1,0,1,0,0|1,0,0]=3 24477 B11R1.28 CCCNCC1CCCCC1 269862a_100020643023_100000211278 [0,1,0,1,0,0|1,0,0]=3 24478 B11R1.28 CCCNCC1CCCCC1 34a_100000210473_100000210303 [0,1,0,1,0,0|1,0,0]=3 24479 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [0,1,0,1,0,0|0,0,0]=2 24480 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [0,1,0,1,0,0|0,0,0]=2 24481 B11R1.28 CCCNCC1CCCOC1 2230a_100000720124_100000210303 [0,1,0,1,0,0|1,0,0]=3 24482 B11R1.28 CCCNCC1CCCOC1 34a_100000720124_100000210303 [0,1,0,1,0,0|1,0,0]=3 24483 B11R1.28 CCCNCC1CCOCC1 2230a_100000746373_100000210303 [0,1,0,1,0,0|2,0,0]=4 24484 B11R1.28 CCCNCC1CCOCC1 269862a_100020643023_100000749017 [0,1,0,1,0,0|2,0,0]=4 24485 B11R1.28 CCCNCC1CCOCC1 34a_100000746373_100000210303 [0,1,0,1,0,0|2,0,0]=4 24486 B11R1.28 CCCNCC1CCSCC1 2230a_100015188806_100000210303 [0,1,0,1,0,0|2,0,0]=4 24487 B11R1.28 CCCNCC1CCSCC1 269862a_100020643023_100000067145 [0,1,0,1,0,0|2,0,0]=4 24488 B11R1.28 CCCNCC1CCSCC1 270004a_100020643023_100000067145 [0,1,0,1,0,0|2,0,0]=4 24489 B11R1.28 CCCNCC1CCSCC1 34a_100015188806_100000210303 [0,1,0,1,0,0|2,0,0]=4 24490 B11R1.28 CCCNC[C@H]1COCCO1 2230a_100010981119_100000210303 [0,1,0,1,0,0|1,0,0]=3 24491 B11R1.28 CCCNC[C@H]1COCCO1 34a_100010981119_100000210303 [0,1,0,1,0,0|1,0,0]=3 24492 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [0,1,0,1,0,0|0,0,2]=4 24493 B11R1.28 CCCOCC1CCCCC1 34a_100000210258_100000211423 [0,1,0,1,0,0|1,0,0]=3 24494 B11R1.28 CCCOCC1CCCCC1 34a_100000212181_100000210303 [0,1,0,1,0,0|1,0,0]=3 24495 B11R1.28 CCCOCC1CCCCC1 7a_100000212181_100000210303 [0,1,0,1,0,0|1,0,0]=3 24496 B11R1.28 CCCOCC1CCCCN1 34a_100000210821_100000210303 [0,1,0,1,0,0|1,0,0]=3 24497 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [0,1,0,1,0,0|0,0,0]=2 24498 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [0,1,0,1,0,0|0,0,0]=2 24499 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [0,1,0,1,0,0|0,0,0]=2 24500 B11R1.28 CCCOCC1CCCNC1 34a_100000211344_100000210303 [0,1,0,1,0,0|2,0,0]=4 24501 B11R1.28 CCCOCC1CCCOC1 34a_100000210258_100000741521 [0,1,0,1,0,0|1,0,0]=3 24502 B11R1.28 CCCOCC1CCCOC1 34a_100000741520_100000210303 [0,1,0,1,0,0|1,0,0]=3 24503 B11R1.28 CCCOCC1CCNCC1 34a_100000738675_100000210303 [0,1,0,1,0,0|2,0,0]=4 24504 B11R1.28 CCCOCC1CCOCC1 34a_100000210258_100000754603 [0,1,0,1,0,0|2,0,0]=4 24505 B11R1.28 CCCOCC1CCOCC1 34a_100000749013_100000210303 [0,1,0,1,0,0|2,0,0]=4 24506 B11R1.28 CCCOCC1CCSCC1 34a_100000070558_100000210303 [0,1,0,1,0,0|2,0,0]=4 24507 B11R1.28 CCCOCC1CCSCC1 7a_100000070558_100000210303 [0,1,0,1,0,0|2,0,0]=4 24508 B11R1.28 CCCOC[C@@H]1CNCCO1 34a_100015189573_100000210303 [0,1,0,1,0,0|1,0,0]=3 24509 B11R1.28 CCCOC[C@@H]1COCCN1 34a_100000717676_100000210303 [0,1,0,1,0,0|2,0,0]=4 24510 B11R1.28 CCCOC[C@H]1COCCO1 34a_100009875890_100000210303 [0,1,0,1,0,0|1,0,0]=3 24511 B11R1.28 CCCSCC1CCCCC1 62a_100000210303_100000211423 [0,1,0,1,0,0|1,0,0]=3 24512 B11R1.28 CCCSCC1CCCCC1 62a_100000211423_100000210303 [0,1,0,1,0,0|1,0,0]=3 24513 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [0,1,0,1,0,0|0,0,0]=2 24514 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [0,1,0,1,0,0|0,0,0]=2 24515 B11R1.28 CCCSCC1CCCOC1 62a_100000210303_100000741521 [0,1,0,1,0,0|1,0,0]=3 24516 B11R1.28 CCCSCC1CCCOC1 62a_100000741521_100000210303 [0,1,0,1,0,0|1,0,0]=3 24517 B11R1.28 CCCSCC1CCOCC1 62a_100000210303_100000749018 [0,1,0,1,0,0|2,0,0]=4 24518 B11R1.28 CCCSCC1CCOCC1 62a_100000754603_100000210303 [0,1,0,1,0,0|2,0,0]=4 24519 B11R1.28 CCNCCC1=CCCCC1 2230a_100000212019_100000210202 [0,1,0,1,0,0|1,0,1]=4 24520 B11R1.28 CCNCCC1=CCCCC1 34a_100000212019_100000210202 [0,1,0,1,0,0|1,0,1]=4 24521 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [0,1,0,1,0,0|1,0,0]=3 24522 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [0,1,0,1,0,0|1,0,0]=3 24523 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [0,1,0,1,0,0|1,0,0]=3 24524 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [0,1,0,1,0,0|1,0,0]=3 24525 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [0,1,0,1,0,0|0,0,0]=2 24526 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [0,1,0,1,0,0|0,0,0]=2 24527 B11R1.28 CCNCCC1CCOCC1 2230a_100000755988_100000210202 [0,1,0,1,0,0|2,0,0]=4 24528 B11R1.28 CCNCCC1CCOCC1 2230a_100015525214_100011934994 [0,1,0,1,0,0|2,0,0]=4 24529 B11R1.28 CCNCCC1CCOCC1 34a_100000755988_100000210202 [0,1,0,1,0,0|2,0,0]=4 24530 B11R1.28 CCNCCC1OCCCO1 2230a_100015525214_100000764188 [0,1,0,1,0,0|1,0,0]=3 24531 B11R1.28 CCNCCN1CCCCC1 2230a_100015525214_100000739454 [0,1,0,1,0,0|2,0,0]=4 24532 B11R1.28 CCNCOC1CCCCC1 2230a_100015525214_100011935260 [0,1,0,1,0,0|2,0,0]=4 24533 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [0,1,0,1,0,0|1,0,0]=3 24534 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [0,1,0,1,0,0|1,0,0]=3 24535 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [0,1,0,1,0,0|1,0,0]=3 24536 B11R1.28 CCOCCC1CCCCN1 34a_100000211664_100000210202 [0,1,0,1,0,0|1,0,0]=3 24537 B11R1.28 CCOCCC1CCCNC1 34a_100000752241_100000210202 [0,1,0,1,0,0|2,0,0]=4 24538 B11R1.28 CCOCCC1CCNCC1 34a_100015190746_100000210202 [0,1,0,1,0,0|2,0,0]=4 24539 B11R1.28 CCOCCC1CCOCC1 34a_100011933979_100000210202 [0,1,0,1,0,0|2,0,0]=4 24540 B11R1.28 CCOCCC1CCOCC1 34a_100121572206_100011934994 [0,1,0,1,0,0|2,0,0]=4 24541 B11R1.28 CCOCCC1CCOCC1 7a_100011933979_100000210202 [0,1,0,1,0,0|2,0,0]=4 24542 B11R1.28 CCOCCC1OCCCO1 34a_100121572206_100000764188 [0,1,0,1,0,0|1,0,0]=3 24543 B11R1.28 CCOCCC1SCCCS1 34a_200011025297_100000210202 [0,1,0,1,0,0|1,1,0]=4 24544 B11R1.28 CCOCCC1SCCCS1 7a_200011025297_100000210202 [0,1,0,1,0,0|1,1,0]=4 24545 B11R1.28 CCOCCN1CCCCC1 34a_100121572206_100000739454 [0,1,0,1,0,0|2,0,0]=4 24546 B11R1.28 CCOCCN1CCCOC1 2230a_100000131196_100011215890 [0,1,0,1,0,0|2,0,0]=4 24547 B11R1.28 CCOCCN1CCCOC1 269982a_100000131196_100011215890 [0,1,0,1,0,0|2,0,0]=4 24548 B11R1.28 CCOCCN1CCCOC1 34a_100000131196_100000210147 [0,1,0,1,0,0|2,0,0]=4 24549 B11R1.28 CCOCC[C@@H]1CNCCN1 34a_100016989929_100000210202 [0,1,0,1,0,0|2,0,0]=4 24550 B11R1.28 CCOCOC1CCCCC1 34a_100121572206_100011935260 [0,1,0,1,0,0|2,0,0]=4 24551 B11R1.28 CCOCSC1CCCCC1 62a_100000210327_100000739092 [0,1,0,1,0,0|2,0,0]=4 24552 B11R1.28 CCOCSC1CCCCC1 62a_100000739092_100000210327 [0,1,0,1,0,0|2,0,0]=4 24553 B11R1.28 CCOCSC1CCCOC1 62a_100000739092_100000693364 [0,1,0,1,0,0|2,0,0]=4 24554 B11R1.28 CCSCCC1CCCCC1 62a_100000210202_100012355289 [0,1,0,1,0,0|1,0,0]=3 24555 B11R1.28 CCSCCC1CCCCC1 62a_100012355289_100000210202 [0,1,0,1,0,0|1,0,0]=3 24556 B11R1.28 CCSCCC1CCOCC1 62a_100000210202_100011934994 [0,1,0,1,0,0|2,0,0]=4 24557 B11R1.28 CCSCCC1CCOCC1 62a_100011934994_100000210202 [0,1,0,1,0,0|2,0,0]=4 24558 B11R1.28 CCSCCC1OCCCO1 62a_100000210202_100000764188 [0,1,0,1,0,0|1,0,0]=3 24559 B11R1.28 CCSCCC1OCCCO1 62a_100000764188_100000210202 [0,1,0,1,0,0|1,0,0]=3 24560 B11R1.28 CCSCCN1CCCCC1 62a_100000210202_100000739454 [0,1,0,1,0,0|2,0,0]=4 24561 B11R1.28 CCSCCN1CCCCC1 62a_100000739454_100000210202 [0,1,0,1,0,0|2,0,0]=4 24562 B11R1.28 CCSCCN1CCCOC1 2230a_100000131196_100000757381 [0,1,0,1,0,0|2,0,0]=4 24563 B11R1.28 CCSCCN1CCCOC1 269982a_100000131196_100000757381 [0,1,0,1,0,0|2,0,0]=4 24564 B11R1.28 CCSCCN1CCCOC1 34a_100000131196_100000757381 [0,1,0,1,0,0|2,0,0]=4 24565 B11R1.28 CCSCOC1CCCCC1 62a_100000210202_100011935260 [0,1,0,1,0,0|2,0,0]=4 24566 B11R1.28 CCSCOC1CCCCC1 62a_100011935260_100000210202 [0,1,0,1,0,0|2,0,0]=4 24567 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [0,1,0,1,0,0|1,0,0]=3 24568 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [0,1,0,1,0,0|1,0,0]=3 24569 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [0,1,0,1,0,0|1,0,0]=3 24570 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [0,1,0,1,0,0|1,0,0]=3 24571 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [0,1,0,1,0,0|1,0,0]=3 24572 B11R1.28 CNCCCN1CCCCC1 2230a_106832991635_100000690320 [0,1,0,1,0,0|2,0,0]=4 24573 B11R1.28 CNCCCN1CCCCC1 34a_100102657272_100000690320 [0,1,0,1,0,0|2,0,0]=4 24574 B11R1.28 CNCCCN1CCCCC1 7a_106832991635_100000007876 [0,1,0,1,0,0|2,0,0]=4 24575 B11R1.28 CNCCOC1CCCCC1 2230a_106832991635_100011211530 [0,1,0,1,0,0|2,0,0]=4 24576 B11R1.28 CNCCOC1CCCCC1 34a_100015206981_200000210301 [0,1,0,1,0,0|2,0,0]=4 24577 B11R1.28 CNCCOC1CCCCC1 34a_100102657272_100011211530 [0,1,0,1,0,0|2,0,0]=4 24578 B11R1.28 CNCCOC1CCCCC1 7a_106832991635_100011211530 [0,1,0,1,0,0|2,0,0]=4 24579 B11R1.28 CNCCOC1CCCCO1 2230a_106832991635_100000744793 [0,1,0,1,0,0|1,0,0]=3 24580 B11R1.28 CNCCOC1CCCCO1 34a_100102657272_100000744793 [0,1,0,1,0,0|1,0,0]=3 24581 B11R1.28 CNCCOC1CCCCO1 7a_106832991635_100000744793 [0,1,0,1,0,0|1,0,0]=3 24582 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [0,1,0,1,0,0|0,0,0]=2 24583 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [0,1,0,1,0,0|0,0,0]=2 24584 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [0,1,0,1,0,0|0,0,0]=2 24585 B11R1.28 COCCCC1CCCCN1 34a_100011934581_200000210301 [0,1,0,1,0,0|1,0,0]=3 24586 B11R1.28 COCCCC1CCCNC1 34a_100150707839_200000210301 [0,1,0,1,0,0|1,0,0]=3 24587 B11R1.28 COCCCC1CCNCC1 34a_100016988962_200000210301 [0,1,0,1,0,0|1,0,0]=3 24588 B11R1.28 COCCCN1CCCCC1 34a_100000212458_200000210301 [0,1,0,1,0,0|1,0,0]=3 24589 B11R1.28 COCCCN1CCCCC1 34a_100138415774_100000690320 [0,1,0,1,0,0|1,0,0]=3 24590 B11R1.28 COCCCN1CCCOC1 2230a_100000131196_100000740836 [0,1,0,1,0,0|2,0,0]=4 24591 B11R1.28 COCCCN1CCCOC1 269982a_100000131196_100000740836 [0,1,0,1,0,0|2,0,0]=4 24592 B11R1.28 COCCCN1CCCOC1 34a_100000131196_100000740836 [0,1,0,1,0,0|2,0,0]=4 24593 B11R1.28 COCCCN1CCOCC1 2230a_100015191051_100000740836 [0,1,0,1,0,0|2,0,0]=4 24594 B11R1.28 COCCCN1CCOCC1 269982a_100015191051_100000740836 [0,1,0,1,0,0|2,0,0]=4 24595 B11R1.28 COCCCN1CCOCC1 34a_100000212840_200000210301 [0,1,0,1,0,0|2,0,0]=4 24596 B11R1.28 COCCCN1CCOCC1 34a_100015191051_100000740836 [0,1,0,1,0,0|2,0,0]=4 24597 B11R1.28 COCCCN1CCOCC1 34a_100138415774_100000748698 [0,1,0,1,0,0|2,0,0]=4 24598 B11R1.28 COCCCN1CCSCC1 2230a_100000737611_100000740836 [0,1,0,1,0,0|2,0,0]=4 24599 B11R1.28 COCCCN1CCSCC1 269982a_100000737611_100000740836 [0,1,0,1,0,0|2,0,0]=4 24600 B11R1.28 COCCNC1CCCCC1 2230a_100000182618_100011201679 [0,1,0,1,0,0|1,0,0]=3 24601 B11R1.28 COCCNC1CCCCC1 270004a_100000209980_100000210434 [0,1,0,1,0,0|1,0,0]=3 24602 B11R1.28 COCCNC1CCCCC1 34a_100000182618_100011201679 [0,1,0,1,0,0|1,0,0]=3 24603 B11R1.28 COCCNC1CCCCC1 34a_100000200466_200000210301 [0,1,0,1,0,0|1,0,0]=3 24604 B11R1.28 COCCNC1CCCOC1 2230a_100000719290_100011201679 [0,1,0,1,0,0|2,0,0]=4 24605 B11R1.28 COCCNC1CCCOC1 270004a_100000209980_100000753404 [0,1,0,1,0,0|2,0,0]=4 24606 B11R1.28 COCCNC1CCCOC1 34a_100000719290_100011201679 [0,1,0,1,0,0|2,0,0]=4 24607 B11R1.28 COCCNC1CCCSC1 270004a_100000209980_100000057913 [0,1,0,1,0,0|2,0,0]=4 24608 B11R1.28 COCCNC1CCNCC1 270004a_100000209980_100015192401 [0,1,0,1,0,0|2,0,0]=4 24609 B11R1.28 COCCNC1CCOCC1 2230a_100000741149_100011201679 [0,1,0,1,0,0|2,0,0]=4 24610 B11R1.28 COCCNC1CCOCC1 270004a_100000209980_100011217826 [0,1,0,1,0,0|2,0,0]=4 24611 B11R1.28 COCCNC1CCOCC1 34a_100000708129_200000210301 [0,1,0,1,0,0|2,0,0]=4 24612 B11R1.28 COCCNC1CCOCC1 34a_100000741149_100011201679 [0,1,0,1,0,0|2,0,0]=4 24613 B11R1.28 COCCNC1CCSCC1 2230a_100000748639_100011201679 [0,1,0,1,0,0|2,0,0]=4 24614 B11R1.28 COCCNC1CCSCC1 270004a_100000209980_100000203788 [0,1,0,1,0,0|2,0,0]=4 24615 B11R1.28 COCCNC1CCSCC1 34a_100000748639_100011201679 [0,1,0,1,0,0|2,0,0]=4 24616 B11R1.28 COCCOC1CCCCC1 34a_100000210231_100011201679 [0,1,0,1,0,0|1,0,0]=3 24617 B11R1.28 COCCOC1CCCCC1 34a_100000210237_100000210327 [0,1,0,1,0,0|1,0,0]=3 24618 B11R1.28 COCCOC1CCCCC1 34a_100011249652_200000210301 [0,1,0,1,0,0|1,0,0]=3 24619 B11R1.28 COCCOC1CCCCC1 34a_100138415774_100011211530 [0,1,0,1,0,0|1,0,0]=3 24620 B11R1.28 COCCOC1CCCCC1 7a_100000210231_100000233755 [0,1,0,1,0,0|1,0,0]=3 24621 B11R1.28 COCCOC1CCCCC1 7a_100011249652_200000210301 [0,1,0,1,0,0|1,0,0]=3 24622 B11R1.28 COCCOC1CCCCO1 34a_100000033831_100011201679 [0,1,0,1,0,0|1,0,0]=3 24623 B11R1.28 COCCOC1CCCCO1 34a_100000034223_200000210301 [0,1,0,1,0,0|1,0,0]=3 24624 B11R1.28 COCCOC1CCCCO1 34a_100138415774_100000744793 [0,1,0,1,0,0|1,0,0]=3 24625 B11R1.28 COCCOC1CCCCO1 7a_100000034223_200000210301 [0,1,0,1,0,0|1,0,0]=3 24626 B11R1.28 COCCOC1CCCOC1 34a_100000210237_100000693364 [0,1,0,1,0,0|2,0,0]=4 24627 B11R1.28 COCCOC1CCCOC1 34a_100000754041_100011201679 [0,1,0,1,0,0|2,0,0]=4 24628 B11R1.28 COCCOC1CCCSC1 7a_100015962668_100000233755 [0,1,0,1,0,0|2,0,0]=4 24629 B11R1.28 COCCOC1CCOCC1 34a_100000744328_100011201679 [0,1,0,1,0,0|2,0,0]=4 24630 B11R1.28 COCCOC1CCSCC1 34a_100000210237_100000069128 [0,1,0,1,0,0|2,0,0]=4 24631 B11R1.28 COCCOC1CCSCC1 34a_100000731022_100011201679 [0,1,0,1,0,0|2,0,0]=4 24632 B11R1.28 COCCOC1CCSCC1 7a_100000731022_100000233755 [0,1,0,1,0,0|2,0,0]=4 24633 B11R1.28 COCCSC1CCCCC1 62a_100000210327_100000233755 [0,1,0,1,0,0|1,0,0]=3 24634 B11R1.28 COCCSC1CCCCC1 62a_100000233755_100000210327 [0,1,0,1,0,0|1,0,0]=3 24635 B11R1.28 COCCSC1CCCOC1 62a_100000233755_100000693364 [0,1,0,1,0,0|2,0,0]=4 24636 B11R1.28 COCCSC1CCOCC1 62a_100000233755_100011324220 [0,1,0,1,0,0|2,0,0]=4 24637 B11R1.28 COCCSC1CCSCC1 62a_100000233755_100000069128 [0,1,0,1,0,0|2,0,0]=4 24638 B11R1.28 COCNCC1CCCCC1 2230a_100000210473_100000766300 [0,1,0,1,0,0|1,0,0]=3 24639 B11R1.28 COCNCC1CCCCO1 2230a_100000174945_100000766300 [0,1,0,1,0,0|1,0,0]=3 24640 B11R1.28 COCNCC1CCCOC1 2230a_100000720124_100000766300 [0,1,0,1,0,0|2,0,0]=4 24641 B11R1.28 COCNCC1CCOCC1 2230a_100000746373_100000766300 [0,1,0,1,0,0|2,0,0]=4 24642 B11R1.28 COCNCC1CCSCC1 2230a_100015188806_100000766300 [0,1,0,1,0,0|2,0,0]=4 24643 B11R1.28 COCNC[C@H]1COCCO1 2230a_100010981119_100000766300 [0,1,0,1,0,0|2,0,0]=4 24644 B11R1.28 COCSCC1CCCCC1 62a_100000211423_100000766300 [0,1,0,1,0,0|1,0,0]=3 24645 B11R1.28 COCSCC1CCCCC1 62a_100000766300_100000211423 [0,1,0,1,0,0|1,0,0]=3 24646 B11R1.28 COCSCC1CCCCO1 62a_100000211543_100000766300 [0,1,0,1,0,0|1,0,0]=3 24647 B11R1.28 COCSCC1CCCCO1 62a_100000766300_100000211543 [0,1,0,1,0,0|1,0,0]=3 24648 B11R1.28 COCSCC1CCCOC1 62a_100000741521_100000766300 [0,1,0,1,0,0|2,0,0]=4 24649 B11R1.28 COCSCC1CCCOC1 62a_100000766300_100000741521 [0,1,0,1,0,0|2,0,0]=4 24650 B11R1.28 COCSCC1CCOCC1 62a_100000754603_100000766300 [0,1,0,1,0,0|2,0,0]=4 24651 B11R1.28 COCSCC1CCOCC1 62a_100000766300_100000749018 [0,1,0,1,0,0|2,0,0]=4 24652 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [0,1,0,1,0,0|0,1,0]=3 24653 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [0,1,0,1,0,0|0,1,0]=3 24654 B11R1.28 CSCCCN1CCCCC1 62a_100132302099_200000210301 [0,1,0,1,0,0|1,1,0]=4 24655 B11R1.28 CSCCCN1CCCCC1 62a_200000210301_100000007876 [0,1,0,1,0,0|1,1,0]=4 24656 B11R1.28 CSCCNC1CCCCC1 2230a_100000182618_100000751147 [0,1,0,1,0,0|1,1,0]=4 24657 B11R1.28 CSCCNC1CCCCC1 270004a_100020590264_100000210434 [0,1,0,1,0,0|1,1,0]=4 24658 B11R1.28 CSCCNC1CCCCC1 34a_100000182618_100000212216 [0,1,0,1,0,0|1,1,0]=4 24659 B11R1.28 CSCCNC1CCCOC1 2230a_100000719290_100000751147 [0,1,0,1,0,0|2,0,0]=4 24660 B11R1.28 CSCCNC1CCCOC1 270004a_100020590264_100000753404 [0,1,0,1,0,0|2,0,0]=4 24661 B11R1.28 CSCCNC1CCCOC1 34a_100000719290_100000212216 [0,1,0,1,0,0|2,0,0]=4 24662 B11R1.28 CSCCOC1CCCCC1 34a_100000210231_100000212216 [0,1,0,1,0,0|1,1,0]=4 24663 B11R1.28 CSCCOC1CCCCC1 34a_100000230434_100000210327 [0,1,0,1,0,0|1,1,0]=4 24664 B11R1.28 CSCCOC1CCCCC1 62a_100011211530_200000210301 [0,1,0,1,0,0|1,1,0]=4 24665 B11R1.28 CSCCOC1CCCCC1 62a_200000210301_100011211530 [0,1,0,1,0,0|1,1,0]=4 24666 B11R1.28 CSCCOC1CCCCC1 7a_100000210231_100000212216 [0,1,0,1,0,0|1,1,0]=4 24667 B11R1.28 CSCCOC1CCCCC1 7a_100000230434_100000210327 [0,1,0,1,0,0|1,1,0]=4 24668 B11R1.28 CSCCOC1CCCCO1 34a_100000033831_100000212216 [0,1,0,1,0,0|1,0,0]=3 24669 B11R1.28 CSCCOC1CCCCO1 62a_100000744793_200000210301 [0,1,0,1,0,0|1,0,0]=3 24670 B11R1.28 CSCCOC1CCCCO1 62a_200000210301_100000744793 [0,1,0,1,0,0|1,0,0]=3 24671 B11R1.28 CSCCOC1CCCOC1 34a_100000230434_100000693364 [0,1,0,1,0,0|2,0,0]=4 24672 B11R1.28 CSCCOC1CCCOC1 34a_100000754041_100000212216 [0,1,0,1,0,0|2,0,0]=4 24673 B11R1.28 CSCCOC1CCCOC1 7a_100000230434_100000693364 [0,1,0,1,0,0|2,0,0]=4 24674 B11R1.28 CSCCSC1CCCCC1 62a_100000210327_100000751147 [0,1,0,1,0,0|1,1,0]=4 24675 B11R1.28 CSCCSC1CCCCC1 62a_100000212216_100000210327 [0,1,0,1,0,0|1,1,0]=4 24676 B11R1.28 CSCCSC1CCCOC1 62a_100000212216_100000693364 [0,1,0,1,0,0|2,0,0]=4 24677 B11R1.28 CSCNCC1CCCCC1 2230a_100000210473_100011218213 [0,1,0,1,0,0|1,1,0]=4 24678 B11R1.28 CSCNCC1CCCCC1 34a_100000210473_100011218213 [0,1,0,1,0,0|1,1,0]=4 24679 B11R1.28 CSCNCC1CCCCO1 2230a_100000174945_100011218213 [0,1,0,1,0,0|1,0,0]=3 24680 B11R1.28 CSCNCC1CCCCO1 34a_100000174945_100011218213 [0,1,0,1,0,0|1,0,0]=3 24681 B11R1.28 CSCNCC1CCCOC1 2230a_100000720124_100011218213 [0,1,0,1,0,0|2,0,0]=4 24682 B11R1.28 CSCNCC1CCCOC1 34a_100000720124_100011218213 [0,1,0,1,0,0|2,0,0]=4 24683 B11R1.28 CSCNC[C@H]1COCCO1 2230a_100010981119_100011218213 [0,1,0,1,0,0|2,0,0]=4 24684 B11R1.28 CSCNC[C@H]1COCCO1 34a_100010981119_100011218213 [0,1,0,1,0,0|2,0,0]=4 24685 B11R1.28 CSCOCC1CCCCC1 34a_100000212181_100011218213 [0,1,0,1,0,0|1,1,0]=4 24686 B11R1.28 CSCOCC1CCCCN1 34a_100000210821_100011218213 [0,1,0,1,0,0|2,0,0]=4 24687 B11R1.28 CSCOCC1CCCCO1 34a_100000211370_100011218213 [0,1,0,1,0,0|1,0,0]=3 24688 B11R1.28 CSCOCC1CCCOC1 34a_100000741520_100011218213 [0,1,0,1,0,0|2,0,0]=4 24689 B11R1.28 CSCOC[C@@H]1CNCCO1 34a_100015189573_100011218213 [0,1,0,1,0,0|2,0,0]=4 24690 B11R1.28 CSCOC[C@H]1COCCO1 34a_100009875890_100011218213 [0,1,0,1,0,0|2,0,0]=4 24691 B11R1.28 CSCSCC1CCCCC1 62a_100000211423_100011218213 [0,1,0,1,0,0|1,1,0]=4 24692 B11R1.28 CSCSCC1CCCCC1 62a_100011218213_100000211423 [0,1,0,1,0,0|1,1,0]=4 24693 B11R1.28 CSCSCC1CCCCO1 62a_100000211543_100011218213 [0,1,0,1,0,0|1,0,0]=3 24694 B11R1.28 CSCSCC1CCCCO1 62a_100011218213_100000211543 [0,1,0,1,0,0|1,0,0]=3 24695 B11R1.28 CSCSCC1CCCOC1 62a_100000741521_100011218213 [0,1,0,1,0,0|2,0,0]=4 24696 B11R1.28 CSCSCC1CCCOC1 62a_100011218213_100000741521 [0,1,0,1,0,0|2,0,0]=4 24697 B11R1.28 ClCCCOC1CCCCC1 34a_100000230001_100000210327 [0,1,0,1,0,0|1,0,0]=3 24698 B11R1.28 ClCCCOC1CCCOC1 34a_100000230001_100000693364 [0,1,0,1,0,0|2,0,0]=4 24699 B11R1.28 ClCCCOC1CCSCC1 34a_100000230001_100000069128 [0,1,0,1,0,0|2,0,0]=4 24700 B11R1.28 FCCCCN1CCCOC1 2230a_100000131196_100000729493 [0,1,0,1,0,0|2,0,0]=4 24701 B11R1.28 FCCCCN1CCCOC1 269982a_100000131196_100000729493 [0,1,0,1,0,0|2,0,0]=4 24702 B11R1.28 FCCCCN1CCCOC1 34a_100000131196_100000729493 [0,1,0,1,0,0|2,0,0]=4 24703 B11R1.28 FCCCCN1CCOCC1 2230a_100015191051_100000729493 [0,1,0,1,0,0|2,0,0]=4 24704 B11R1.28 FCCCCN1CCOCC1 269982a_100015191051_100000729493 [0,1,0,1,0,0|2,0,0]=4 24705 B11R1.28 FCCCCN1CCOCC1 34a_100015191051_100000729493 [0,1,0,1,0,0|2,0,0]=4 24706 B11R1.28 FCCCCN1CCSCC1 2230a_100000737611_100000729493 [0,1,0,1,0,0|2,0,0]=4 24707 B11R1.28 FCCCCN1CCSCC1 269982a_100000737611_100000729493 [0,1,0,1,0,0|2,0,0]=4 24708 B11R1.28 FCCCNC1CCCCC1 2230a_100000182618_100011934791 [0,1,0,1,0,0|1,0,0]=3 24709 B11R1.28 FCCCNC1CCCCC1 270004a_100015189416_100000210434 [0,1,0,1,0,0|1,0,0]=3 24710 B11R1.28 FCCCNC1CCCCC1 34a_100000182618_100011934791 [0,1,0,1,0,0|1,0,0]=3 24711 B11R1.28 FCCCNC1CCCCC1 34a_100015189416_100000210327 [0,1,0,1,0,0|1,0,0]=3 24712 B11R1.28 FCCCNC1CCCOC1 2230a_100000719290_100011934791 [0,1,0,1,0,0|2,0,0]=4 24713 B11R1.28 FCCCNC1CCCOC1 270004a_100015189416_100000753404 [0,1,0,1,0,0|2,0,0]=4 24714 B11R1.28 FCCCNC1CCCOC1 34a_100000719290_100011934791 [0,1,0,1,0,0|2,0,0]=4 24715 B11R1.28 FCCCNC1CCCOC1 34a_100015189416_100000693364 [0,1,0,1,0,0|2,0,0]=4 24716 B11R1.28 FCCCNC1CCCSC1 270004a_100015189416_100000057913 [0,1,0,1,0,0|2,0,0]=4 24717 B11R1.28 FCCCNC1CCNCC1 270004a_100015189416_100015192401 [0,1,0,1,0,0|2,0,0]=4 24718 B11R1.28 FCCCNC1CCOCC1 2230a_100000741149_100011934791 [0,1,0,1,0,0|2,0,0]=4 24719 B11R1.28 FCCCNC1CCOCC1 270004a_100015189416_100011217826 [0,1,0,1,0,0|2,0,0]=4 24720 B11R1.28 FCCCNC1CCOCC1 34a_100000741149_100011934791 [0,1,0,1,0,0|2,0,0]=4 24721 B11R1.28 FCCCNC1CCSCC1 2230a_100000748639_100011934791 [0,1,0,1,0,0|2,0,0]=4 24722 B11R1.28 FCCCNC1CCSCC1 270004a_100015189416_100000203788 [0,1,0,1,0,0|2,0,0]=4 24723 B11R1.28 FCCCNC1CCSCC1 34a_100000748639_100011934791 [0,1,0,1,0,0|2,0,0]=4 24724 B11R1.28 FCCCNC1CCSCC1 34a_100015189416_100000069128 [0,1,0,1,0,0|2,0,0]=4 24725 B11R1.28 FCCCOC1CCCCC1 34a_100000210231_100011934791 [0,1,0,1,0,0|1,0,0]=3 24726 B11R1.28 FCCCOC1CCCCC1 34a_100000759539_100000210327 [0,1,0,1,0,0|1,0,0]=3 24727 B11R1.28 FCCCOC1CCCCC1 7a_100000210231_100011934791 [0,1,0,1,0,0|1,0,0]=3 24728 B11R1.28 FCCCOC1CCCCO1 34a_100000033831_100011934791 [0,1,0,1,0,0|1,0,0]=3 24729 B11R1.28 FCCCOC1CCCOC1 34a_100000754041_100011934791 [0,1,0,1,0,0|2,0,0]=4 24730 B11R1.28 FCCCOC1CCCOC1 34a_100000759539_100000693364 [0,1,0,1,0,0|2,0,0]=4 24731 B11R1.28 FCCCOC1CCCSC1 7a_100015962668_100011934791 [0,1,0,1,0,0|2,0,0]=4 24732 B11R1.28 FCCCOC1CCOCC1 34a_100000744328_100011934791 [0,1,0,1,0,0|2,0,0]=4 24733 B11R1.28 FCCCOC1CCSCC1 34a_100000731022_100011934791 [0,1,0,1,0,0|2,0,0]=4 24734 B11R1.28 FCCCOC1CCSCC1 34a_100000759539_100000069128 [0,1,0,1,0,0|2,0,0]=4 24735 B11R1.28 FCCCOC1CCSCC1 7a_100000731022_100011934791 [0,1,0,1,0,0|2,0,0]=4 24736 B11R1.28 FCCCSC1CCCCC1 62a_100000210327_100011934791 [0,1,0,1,0,0|1,0,0]=3 24737 B11R1.28 FCCCSC1CCCCC1 62a_100011934791_100000210327 [0,1,0,1,0,0|1,0,0]=3 24738 B11R1.28 FCCCSC1CCCOC1 62a_100011934791_100000693364 [0,1,0,1,0,0|2,0,0]=4 24739 B11R1.28 FCCCSC1CCOCC1 62a_100011934791_100011324220 [0,1,0,1,0,0|2,0,0]=4 24740 B11R1.28 FCCCSC1CCSCC1 62a_100011934791_100000069128 [0,1,0,1,0,0|2,0,0]=4 24741 B11R1.28 FCCNCC1CCCCC1 2230a_100000210473_100011217306 [0,1,0,1,0,0|1,0,0]=3 24742 B11R1.28 FCCNCC1CCCCC1 269862a_100000724931_100000211278 [0,1,0,1,0,0|1,0,0]=3 24743 B11R1.28 FCCNCC1CCCCC1 34a_100000210473_100011217306 [0,1,0,1,0,0|1,0,0]=3 24744 B11R1.28 FCCNCC1CCCCC1 34a_100000724931_100000211423 [0,1,0,1,0,0|1,0,0]=3 24745 B11R1.28 FCCNCC1CCCCO1 2230a_100000174945_100011217306 [0,1,0,1,0,0|1,0,0]=3 24746 B11R1.28 FCCNCC1CCCCO1 34a_100000174945_100011217306 [0,1,0,1,0,0|1,0,0]=3 24747 B11R1.28 FCCNCC1CCCCO1 34a_100000724931_100000211543 [0,1,0,1,0,0|1,0,0]=3 24748 B11R1.28 FCCNCC1CCCOC1 2230a_100000720124_100011217306 [0,1,0,1,0,0|2,0,0]=4 24749 B11R1.28 FCCNCC1CCCOC1 34a_100000720124_100011217306 [0,1,0,1,0,0|2,0,0]=4 24750 B11R1.28 FCCNCC1CCCOC1 34a_100000724931_100000741521 [0,1,0,1,0,0|2,0,0]=4 24751 B11R1.28 FCCNCC1CCOCC1 2230a_100000746373_100011217306 [0,1,0,1,0,0|2,0,0]=4 24752 B11R1.28 FCCNCC1CCOCC1 269862a_100000724931_100000749017 [0,1,0,1,0,0|2,0,0]=4 24753 B11R1.28 FCCNCC1CCOCC1 34a_100000724931_100000754603 [0,1,0,1,0,0|2,0,0]=4 24754 B11R1.28 FCCNCC1CCOCC1 34a_100000746373_100011217306 [0,1,0,1,0,0|2,0,0]=4 24755 B11R1.28 FCCNCC1CCSCC1 2230a_100015188806_100011217306 [0,1,0,1,0,0|2,0,0]=4 24756 B11R1.28 FCCNCC1CCSCC1 269862a_100000724931_100000067145 [0,1,0,1,0,0|2,0,0]=4 24757 B11R1.28 FCCNCC1CCSCC1 34a_100015188806_100011217306 [0,1,0,1,0,0|2,0,0]=4 24758 B11R1.28 FCCNC[C@H]1COCCO1 2230a_100010981119_100011217306 [0,1,0,1,0,0|2,0,0]=4 24759 B11R1.28 FCCNC[C@H]1COCCO1 34a_100010981119_100011217306 [0,1,0,1,0,0|2,0,0]=4 24760 B11R1.28 FCCOCC1CCCCC1 34a_100000212181_100011217306 [0,1,0,1,0,0|1,0,0]=3 24761 B11R1.28 FCCOCC1CCCCC1 7a_100000212181_100011217306 [0,1,0,1,0,0|1,0,0]=3 24762 B11R1.28 FCCOCC1CCCCN1 34a_100000210821_100011217306 [0,1,0,1,0,0|2,0,0]=4 24763 B11R1.28 FCCOCC1CCCCO1 34a_100000211370_100011217306 [0,1,0,1,0,0|1,0,0]=3 24764 B11R1.28 FCCOCC1CCCCO1 7a_100000211370_100011217306 [0,1,0,1,0,0|1,0,0]=3 24765 B11R1.28 FCCOCC1CCCNC1 34a_100000211344_100011217306 [0,1,0,1,0,0|2,0,0]=4 24766 B11R1.28 FCCOCC1CCCOC1 34a_100000741520_100011217306 [0,1,0,1,0,0|2,0,0]=4 24767 B11R1.28 FCCOCC1CCNCC1 34a_100000738675_100011217306 [0,1,0,1,0,0|2,0,0]=4 24768 B11R1.28 FCCOCC1CCOCC1 34a_100000749013_100011217306 [0,1,0,1,0,0|2,0,0]=4 24769 B11R1.28 FCCOCC1CCSCC1 34a_100000070558_100011217306 [0,1,0,1,0,0|2,0,0]=4 24770 B11R1.28 FCCOCC1CCSCC1 7a_100000070558_100011217306 [0,1,0,1,0,0|2,0,0]=4 24771 B11R1.28 FCCOC[C@@H]1CNCCO1 34a_100015189573_100011217306 [0,1,0,1,0,0|2,0,0]=4 24772 B11R1.28 FCCOC[C@H]1COCCO1 34a_100009875890_100011217306 [0,1,0,1,0,0|2,0,0]=4 24773 B11R1.28 FCCSCC1CCCCC1 62a_100000211423_100011217306 [0,1,0,1,0,0|1,0,0]=3 24774 B11R1.28 FCCSCC1CCCCC1 62a_100011217306_100000211423 [0,1,0,1,0,0|1,0,0]=3 24775 B11R1.28 FCCSCC1CCCCO1 62a_100000211543_100011217306 [0,1,0,1,0,0|1,0,0]=3 24776 B11R1.28 FCCSCC1CCCCO1 62a_100011217306_100000211543 [0,1,0,1,0,0|1,0,0]=3 24777 B11R1.28 FCCSCC1CCCOC1 62a_100000741521_100011217306 [0,1,0,1,0,0|2,0,0]=4 24778 B11R1.28 FCCSCC1CCCOC1 62a_100011217306_100000741521 [0,1,0,1,0,0|2,0,0]=4 24779 B11R1.28 FCCSCC1CCOCC1 62a_100000754603_100011217306 [0,1,0,1,0,0|2,0,0]=4 24780 B11R1.28 FCCSCC1CCOCC1 62a_100011217306_100000749018 [0,1,0,1,0,0|2,0,0]=4 24781 B11R1.28 FCNCCC1CCCCC1 34a_100000738074_100015361967 [0,1,0,1,0,0|1,0,0]=3 24782 B11R1.28 FCNCCC1CCCCO1 34a_100015183643_100015361967 [0,1,0,1,0,0|1,0,0]=3 24783 B11R1.28 FCNCCC1CCOCC1 34a_100000755988_100015361967 [0,1,0,1,0,0|2,0,0]=4 24784 B11R1.28 FCOCCC1CCCCC1 34a_100011217863_100015361967 [0,1,0,1,0,0|1,0,0]=3 24785 B11R1.28 FCOCCC1CCCCC1 7a_100011217863_100015361967 [0,1,0,1,0,0|1,0,0]=3 24786 B11R1.28 FCOCCC1CCCCN1 34a_100000211664_100015361967 [0,1,0,1,0,0|2,0,0]=4 24787 B11R1.28 FCOCCC1CCCNC1 34a_100000752241_100015361967 [0,1,0,1,0,0|2,0,0]=4 24788 B11R1.28 FCOCCC1CCNCC1 34a_100015190746_100015361967 [0,1,0,1,0,0|2,0,0]=4 24789 B11R1.28 FCOCCC1CCOCC1 34a_100011933979_100015361967 [0,1,0,1,0,0|2,0,0]=4 24790 B11R1.28 FCOCCC1CCOCC1 7a_100011933979_100015361967 [0,1,0,1,0,0|2,0,0]=4 24791 B11R1.28 FCSCCC1CCCCC1 62a_100012355289_100015361967 [0,1,0,1,0,0|1,0,0]=3 24792 B11R1.28 FCSCCC1CCCCC1 62a_100015361967_100012355289 [0,1,0,1,0,0|1,0,0]=3 24793 B11R1.28 FCSCCC1CCOCC1 62a_100011934994_100015361967 [0,1,0,1,0,0|2,0,0]=4 24794 B11R1.28 FCSCCC1CCOCC1 62a_100015361967_100011934994 [0,1,0,1,0,0|2,0,0]=4 24795 B11R1.28 FCSCCC1OCCCO1 62a_100000764188_100015361967 [0,1,0,1,0,0|2,0,0]=4 24796 B11R1.28 FCSCCC1OCCCO1 62a_100015361967_100000764188 [0,1,0,1,0,0|2,0,0]=4 24797 B11R1.28 FCSCCN1CCCCC1 62a_100000739454_100015361967 [0,1,0,1,0,0|2,0,0]=4 24798 B11R1.28 FCSCCN1CCCCC1 62a_100015361967_100000739454 [0,1,0,1,0,0|2,0,0]=4 24799 B11R1.28 FCSCOC1CCCCC1 62a_100011935260_100015361967 [0,1,0,1,0,0|2,0,0]=4 24800 B11R1.28 FCSCOC1CCCCC1 62a_100015361967_100011935260 [0,1,0,1,0,0|2,0,0]=4 24801 B11R1.28 N#CCCNC1CCCCC1 2230a_100000182618_100011215226 [0,1,0,1,0,0|1,0,1]=4 24802 B11R1.28 N#CCCNC1CCCCC1 270004a_100000720768_100000210434 [0,1,0,1,0,0|1,0,1]=4 24803 B11R1.28 N#CCCOC1CCCCC1 7a_100000210231_100000184422 [0,1,0,1,0,0|1,0,1]=4 24804 B11R1.28 N#CCCSC1CCCCC1 62a_100000210327_100011215226 [0,1,0,1,0,0|1,0,1]=4 24805 B11R1.28 N#CCCSC1CCCCC1 62a_100011215226_100000210327 [0,1,0,1,0,0|1,0,1]=4 24806 B11R1.28 N#CCNCC1CCCCC1 2230a_100000210473_100011215382 [0,1,0,1,0,0|1,0,1]=4 24807 B11R1.28 N#CCNCC1CCCCO1 2230a_100000174945_100011215382 [0,1,0,1,0,0|1,0,1]=4 24808 B11R1.28 N#CCOCC1CCCCC1 7a_100000212181_100011215382 [0,1,0,1,0,0|1,0,1]=4 24809 B11R1.28 N#CCOCC1CCCCO1 7a_100000211370_100011215382 [0,1,0,1,0,0|1,0,1]=4 24810 B11R1.28 N#CCSCC1CCCCC1 62a_100000211423_100011215382 [0,1,0,1,0,0|1,0,1]=4 24811 B11R1.28 N#CCSCC1CCCCC1 62a_100011215382_100000211423 [0,1,0,1,0,0|1,0,1]=4 24812 B11R1.28 N#CCSCC1CCCCO1 62a_100000211543_100011215382 [0,1,0,1,0,0|1,0,1]=4 24813 B11R1.28 N#CCSCC1CCCCO1 62a_100011215382_100000211543 [0,1,0,1,0,0|1,0,1]=4 24814 B11R1.28 NCCCOC1CCCCC1 34a_100000182051_100000210327 [0,1,0,1,0,0|1,0,0]=3 24815 B11R1.28 NCCCOC1CCCOC1 34a_100000182051_100000693364 [0,1,0,1,0,0|2,0,0]=4 24816 B11R1.28 NCCCOC1CCSCC1 34a_100000182051_100000069128 [0,1,0,1,0,0|2,0,0]=4 24817 B11R1.28 NCCOCC1CCCCC1 34a_100000210304_100000211423 [0,1,0,1,0,0|1,0,0]=3 24818 B11R1.28 NCCOCC1CCCCO1 34a_100000210304_100000211543 [0,1,0,1,0,0|1,0,0]=3 24819 B11R1.28 NCCOCC1CCCOC1 34a_100000210304_100000741521 [0,1,0,1,0,0|2,0,0]=4 24820 B11R1.28 NCCOCC1CCOCC1 34a_100000210304_100000754603 [0,1,0,1,0,0|2,0,0]=4 24821 B11R1.28 NOCCOC1CCCCC1 34a_100000700252_100000210327 [0,1,0,1,0,0|1,0,0]=3 24822 B11R1.28 NOCCOC1CCCOC1 34a_100000700252_100000693364 [0,1,0,1,0,0|2,0,0]=4 24823 B11R1.28 NOCCOC1CCSCC1 34a_100000700252_100000069128 [0,1,0,1,0,0|2,0,0]=4 24824 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [0,1,0,1,0,0|0,0,2]=4 24825 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [0,1,0,1,0,0|0,0,2]=4 24826 B11R1.28 O=CCNCC1CCCCO1 2230a_100000174945_200015260668 [0,1,0,1,0,0|1,0,1]=4 24827 B11R1.28 O=CCNCC1CCCCO1 34a_100000174945_200009817547 [0,1,0,1,0,0|1,0,1]=4 24828 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [0,1,0,1,0,0|0,0,2]=4 24829 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [0,1,0,1,0,0|0,0,2]=4 24830 B11R1.28 O=CCOCC1CCCCO1 34a_100000211370_200009817547 [0,1,0,1,0,0|1,0,1]=4 24831 B11R1.28 O=CCOCC1CCCCO1 7a_100000211370_200015260668 [0,1,0,1,0,0|1,0,1]=4 24832 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [0,1,0,1,0,0|0,0,2]=4 24833 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [0,1,0,1,0,0|0,0,2]=4 24834 B11R1.28 O=CCSCC1CCCCO1 62a_100000211543_200015260668 [0,1,0,1,0,0|1,0,1]=4 24835 B11R1.28 O=CCSCC1CCCCO1 62a_200015260668_100000211543 [0,1,0,1,0,0|1,0,1]=4 24836 B11R1.28 OCCCCN1CC=CCC1 2230a_100000698166_100000210776 [0,1,0,1,0,0|0,0,2]=4 24837 B11R1.28 OCCCCN1CC=CCC1 269982a_100000698166_100000210776 [0,1,0,1,0,0|0,0,2]=4 24838 B11R1.28 OCCCCN1CC=CCC1 34a_100000698166_100011216708 [0,1,0,1,0,0|0,0,2]=4 24839 B11R1.28 OCCCCN1CCCOC1 2230a_100000131196_100000210776 [0,1,0,1,0,0|1,0,0]=3 24840 B11R1.28 OCCCCN1CCCOC1 269982a_100000131196_100000210776 [0,1,0,1,0,0|1,0,0]=3 24841 B11R1.28 OCCCCN1CCCOC1 34a_100000131196_100011216708 [0,1,0,1,0,0|1,0,0]=3 24842 B11R1.28 OCCCCN1CCOCC1 2230a_100015191051_100000210776 [0,1,0,1,0,0|1,0,0]=3 24843 B11R1.28 OCCCCN1CCOCC1 269982a_100015191051_100000210776 [0,1,0,1,0,0|1,0,0]=3 24844 B11R1.28 OCCCCN1CCOCC1 34a_100015191051_100011216708 [0,1,0,1,0,0|1,0,0]=3 24845 B11R1.28 OCCCCN1CCSCC1 2230a_100000737611_100000210776 [0,1,0,1,0,0|1,0,0]=3 24846 B11R1.28 OCCCCN1CCSCC1 269982a_100000737611_100000210776 [0,1,0,1,0,0|1,0,0]=3 24847 B11R1.28 OCCCNC1CCCCC1 2230a_100000182618_100000230001 [0,1,0,1,0,0|0,0,0]=2 24848 B11R1.28 OCCCNC1CCCCC1 270004a_100000182051_100000210434 [0,1,0,1,0,0|0,0,0]=2 24849 B11R1.28 OCCCNC1CCCCC1 34a_100000182618_100000230001 [0,1,0,1,0,0|0,0,0]=2 24850 B11R1.28 OCCCNC1CCCOC1 2230a_100000719290_100000230001 [0,1,0,1,0,0|1,0,0]=3 24851 B11R1.28 OCCCNC1CCCOC1 270004a_100000182051_100000753404 [0,1,0,1,0,0|1,0,0]=3 24852 B11R1.28 OCCCNC1CCCOC1 34a_100000719290_100000230001 [0,1,0,1,0,0|1,0,0]=3 24853 B11R1.28 OCCCNC1CCCSC1 270004a_100000182051_100000057913 [0,1,0,1,0,0|1,0,0]=3 24854 B11R1.28 OCCCNC1CCNCC1 270004a_100000182051_100015192401 [0,1,0,1,0,0|1,0,0]=3 24855 B11R1.28 OCCCNC1CCOCC1 2230a_100000741149_100000230001 [0,1,0,1,0,0|1,0,0]=3 24856 B11R1.28 OCCCNC1CCOCC1 270004a_100000182051_100011217826 [0,1,0,1,0,0|1,0,0]=3 24857 B11R1.28 OCCCNC1CCOCC1 34a_100000741149_100000230001 [0,1,0,1,0,0|1,0,0]=3 24858 B11R1.28 OCCCNC1CCSCC1 2230a_100000748639_100000230001 [0,1,0,1,0,0|1,0,0]=3 24859 B11R1.28 OCCCNC1CCSCC1 270004a_100000182051_100000203788 [0,1,0,1,0,0|1,0,0]=3 24860 B11R1.28 OCCCNC1CCSCC1 34a_100000748639_100000230001 [0,1,0,1,0,0|1,0,0]=3 24861 B11R1.28 OCCCOC1C=CCCC1 34a_100011215024_100000230001 [0,1,0,1,0,0|0,0,2]=4 24862 B11R1.28 OCCCOC1CC=CCC1 34a_100000073881_100000230001 [0,1,0,1,0,0|0,0,2]=4 24863 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [0,1,0,1,0,0|0,0,0]=2 24864 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [0,1,0,1,0,0|0,0,0]=2 24865 B11R1.28 OCCCOC1CCCCO1 34a_100000033831_100000230001 [0,1,0,1,0,0|1,0,0]=3 24866 B11R1.28 OCCCOC1CCCOC1 34a_100000754041_100000230001 [0,1,0,1,0,0|1,0,0]=3 24867 B11R1.28 OCCCOC1CCCSC1 7a_100015962668_100011215043 [0,1,0,1,0,0|1,0,0]=3 24868 B11R1.28 OCCCOC1CCOCC1 34a_100000744328_100000230001 [0,1,0,1,0,0|1,0,0]=3 24869 B11R1.28 OCCCOC1CCSCC1 34a_100000731022_100000230001 [0,1,0,1,0,0|1,0,0]=3 24870 B11R1.28 OCCCOC1CCSCC1 7a_100000731022_100011215043 [0,1,0,1,0,0|1,0,0]=3 24871 B11R1.28 OCCCSC1C=CCCC1 62a_100000751183_100011215043 [0,1,0,1,0,0|0,0,2]=4 24872 B11R1.28 OCCCSC1C=CCCC1 62a_100011215043_100000751183 [0,1,0,1,0,0|0,0,2]=4 24873 B11R1.28 OCCCSC1CCCCC1 62a_100000210327_100011215043 [0,1,0,1,0,0|0,0,0]=2 24874 B11R1.28 OCCCSC1CCCCC1 62a_100011215043_100000210327 [0,1,0,1,0,0|0,0,0]=2 24875 B11R1.28 OCCCSC1CCCOC1 62a_100011215043_100000693364 [0,1,0,1,0,0|1,0,0]=3 24876 B11R1.28 OCCCSC1CCOCC1 62a_100011215043_100011324220 [0,1,0,1,0,0|1,0,0]=3 24877 B11R1.28 OCCCSC1CCSCC1 62a_100011215043_100000069128 [0,1,0,1,0,0|1,0,0]=3 24878 B11R1.28 OCCNCC1CC=CCC1 270004a_100000210304_100000189434 [0,1,0,1,0,0|0,0,2]=4 24879 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [0,1,0,1,0,0|0,0,0]=2 24880 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [0,1,0,1,0,0|0,0,0]=2 24881 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [0,1,0,1,0,0|0,0,0]=2 24882 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [0,1,0,1,0,0|0,0,0]=2 24883 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [0,1,0,1,0,0|0,0,0]=2 24884 B11R1.28 OCCNCC1CCCCO1 2230a_100000174945_100000211926 [0,1,0,1,0,0|1,0,0]=3 24885 B11R1.28 OCCNCC1CCCCO1 2230a_100016997473_100000211543 [0,1,0,1,0,0|1,0,0]=3 24886 B11R1.28 OCCNCC1CCCCO1 34a_100000174945_100000211926 [0,1,0,1,0,0|1,0,0]=3 24887 B11R1.28 OCCNCC1CCCCO1 34a_100016990907_100000211543 [0,1,0,1,0,0|1,0,0]=3 24888 B11R1.28 OCCNCC1CCCOC1 2230a_100000720124_100000211926 [0,1,0,1,0,0|1,0,0]=3 24889 B11R1.28 OCCNCC1CCCOC1 2230a_100016997473_100000741521 [0,1,0,1,0,0|1,0,0]=3 24890 B11R1.28 OCCNCC1CCCOC1 34a_100000720124_100000211926 [0,1,0,1,0,0|1,0,0]=3 24891 B11R1.28 OCCNCC1CCCOC1 34a_100016990907_100000741521 [0,1,0,1,0,0|1,0,0]=3 24892 B11R1.28 OCCNCC1CCOCC1 2230a_100000746373_100000211926 [0,1,0,1,0,0|1,0,0]=3 24893 B11R1.28 OCCNCC1CCOCC1 2230a_100016997473_100000754603 [0,1,0,1,0,0|1,0,0]=3 24894 B11R1.28 OCCNCC1CCOCC1 269862a_100000210304_100000749017 [0,1,0,1,0,0|1,0,0]=3 24895 B11R1.28 OCCNCC1CCOCC1 34a_100000746373_100000211926 [0,1,0,1,0,0|1,0,0]=3 24896 B11R1.28 OCCNCC1CCOCC1 34a_100016990907_100000754603 [0,1,0,1,0,0|1,0,0]=3 24897 B11R1.28 OCCNCC1CCSCC1 2230a_100015188806_100000211926 [0,1,0,1,0,0|1,0,0]=3 24898 B11R1.28 OCCNCC1CCSCC1 269862a_100000210304_100000067145 [0,1,0,1,0,0|1,0,0]=3 24899 B11R1.28 OCCNCC1CCSCC1 270004a_100000210304_100000067145 [0,1,0,1,0,0|1,0,0]=3 24900 B11R1.28 OCCNCC1CCSCC1 34a_100015188806_100000211926 [0,1,0,1,0,0|1,0,0]=3 24901 B11R1.28 OCCNC[C@H]1COCCO1 2230a_100010981119_100000211926 [0,1,0,1,0,0|2,0,0]=4 24902 B11R1.28 OCCNC[C@H]1COCCO1 34a_100010981119_100000211926 [0,1,0,1,0,0|2,0,0]=4 24903 B11R1.28 OCCNN=C1CCCCC1 4a_100000210001_100000210434 [0,1,0,1,0,0|1,0,1]=4 24904 B11R1.28 OCCOCC1CC=CCC1 34a_100000210713_100000211926 [0,1,0,1,0,0|0,0,2]=4 24905 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [0,1,0,1,0,0|0,0,0]=2 24906 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [0,1,0,1,0,0|0,0,0]=2 24907 B11R1.28 OCCOCC1CCCCN1 34a_100000210821_100000211926 [0,1,0,1,0,0|1,0,0]=3 24908 B11R1.28 OCCOCC1CCCCO1 34a_100000211370_100000211926 [0,1,0,1,0,0|1,0,0]=3 24909 B11R1.28 OCCOCC1CCCCO1 7a_100000211370_100000211926 [0,1,0,1,0,0|1,0,0]=3 24910 B11R1.28 OCCOCC1CCCNC1 34a_100000211344_100000211926 [0,1,0,1,0,0|1,0,0]=3 24911 B11R1.28 OCCOCC1CCCOC1 34a_100000741520_100000211926 [0,1,0,1,0,0|1,0,0]=3 24912 B11R1.28 OCCOCC1CCNCC1 34a_100000738675_100000211926 [0,1,0,1,0,0|1,0,0]=3 24913 B11R1.28 OCCOCC1CCOCC1 34a_100000749013_100000211926 [0,1,0,1,0,0|1,0,0]=3 24914 B11R1.28 OCCOCC1CCSCC1 34a_100000070558_100000211926 [0,1,0,1,0,0|1,0,0]=3 24915 B11R1.28 OCCOCC1CCSCC1 7a_100000070558_100000211926 [0,1,0,1,0,0|1,0,0]=3 24916 B11R1.28 OCCOC[C@@H]1CNCCO1 34a_100015189573_100000211926 [0,1,0,1,0,0|2,0,0]=4 24917 B11R1.28 OCCOC[C@@H]1COCCN1 34a_100000717676_100000211926 [0,1,0,1,0,0|2,0,0]=4 24918 B11R1.28 OCCOC[C@H]1COCCO1 34a_100009875890_100000211926 [0,1,0,1,0,0|2,0,0]=4 24919 B11R1.28 OCCSCC1CCCCC1 62a_100000211423_100000211926 [0,1,0,1,0,0|0,0,0]=2 24920 B11R1.28 OCCSCC1CCCCC1 62a_100000211926_100000211423 [0,1,0,1,0,0|0,0,0]=2 24921 B11R1.28 OCCSCC1CCCCO1 62a_100000211543_100000211926 [0,1,0,1,0,0|1,0,0]=3 24922 B11R1.28 OCCSCC1CCCCO1 62a_100000211926_100000211543 [0,1,0,1,0,0|1,0,0]=3 24923 B11R1.28 OCCSCC1CCCOC1 62a_100000211926_100000741521 [0,1,0,1,0,0|1,0,0]=3 24924 B11R1.28 OCCSCC1CCCOC1 62a_100000741521_100000211926 [0,1,0,1,0,0|1,0,0]=3 24925 B11R1.28 OCCSCC1CCOCC1 62a_100000211926_100000749018 [0,1,0,1,0,0|1,0,0]=3 24926 B11R1.28 OCCSCC1CCOCC1 62a_100000754603_100000211926 [0,1,0,1,0,0|1,0,0]=3 24927 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [0,1,0,1,0,0|1,0,0]=3 24928 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [0,1,0,1,0,0|1,0,0]=3 24929 B11R1.28 [13CH3]NCCOC1CCCCC1 34a_100015206981_200025704644 [0,1,0,1,0,0|2,0,0]=4 24930 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [0,1,0,1,0,0|0,0,0]=2 24931 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [0,1,0,1,0,0|0,0,0]=2 24932 B11R1.28 [13CH3]OCCCC1CCCCN1 34a_100011934581_200025704644 [0,1,0,1,0,0|1,0,0]=3 24933 B11R1.28 [13CH3]OCCCC1CCCNC1 34a_100150707839_200025704644 [0,1,0,1,0,0|1,0,0]=3 24934 B11R1.28 [13CH3]OCCCC1CCNCC1 34a_100016988962_200025704644 [0,1,0,1,0,0|1,0,0]=3 24935 B11R1.28 [13CH3]OCCCN1CCCCC1 34a_100000212458_200025704644 [0,1,0,1,0,0|1,0,0]=3 24936 B11R1.28 [13CH3]OCCCN1CCOCC1 34a_100000212840_200025704644 [0,1,0,1,0,0|2,0,0]=4 24937 B11R1.28 [13CH3]OCCNC1CCCCC1 34a_100000200466_200025704644 [0,1,0,1,0,0|1,0,0]=3 24938 B11R1.28 [13CH3]OCCNC1CCOCC1 34a_100000708129_200025704644 [0,1,0,1,0,0|2,0,0]=4 24939 B11R1.28 [13CH3]OCCOC1CCCCC1 34a_100011249652_200025704644 [0,1,0,1,0,0|1,0,0]=3 24940 B11R1.28 [13CH3]OCCOC1CCCCC1 7a_100011249652_200025704644 [0,1,0,1,0,0|1,0,0]=3 24941 B11R1.28 [13CH3]OCCOC1CCCCO1 34a_100000034223_200025704644 [0,1,0,1,0,0|1,0,0]=3 24942 B11R1.28 [13CH3]OCCOC1CCCCO1 7a_100000034223_200025704644 [0,1,0,1,0,0|1,0,0]=3 24943 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [0,1,0,1,0,0|0,1,0]=3 24944 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [0,1,0,1,0,0|0,1,0]=3 24945 B11R1.28 [13CH3]SCCCN1CCCCC1 62a_100132302099_200025704644 [0,1,0,1,0,0|1,1,0]=4 24946 B11R1.28 [13CH3]SCCCN1CCCCC1 62a_200025704644_100000007876 [0,1,0,1,0,0|1,1,0]=4 24947 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_100011211530_200025704644 [0,1,0,1,0,0|1,1,0]=4 24948 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_200025704644_100011211530 [0,1,0,1,0,0|1,1,0]=4 24949 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_100000744793_200025704644 [0,1,0,1,0,0|1,0,0]=3 24950 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_200025704644_100000744793 [0,1,0,1,0,0|1,0,0]=3 24951 B11R1.41 C#CC1CCCCN1CCC 2230a_200020621307_100000210303 [0,1,0,1,0,0|1,0,1]=4 24952 B11R1.41 C#CC1CCCCN1CCC 269982a_200020621307_100000210303 [0,1,0,1,0,0|1,0,1]=4 24953 B11R1.41 C#CC1CCCCN1CCC 34a_200020621307_100000210303 [0,1,0,1,0,0|1,0,1]=4 24954 B11R1.41 C#CC1CCCCN1CCO 2230a_200020621307_100000211926 [0,1,0,1,0,0|0,0,2]=4 24955 B11R1.41 C#CC1CCCCN1CCO 269982a_200020621307_100000211926 [0,1,0,1,0,0|0,0,2]=4 24956 B11R1.41 C#CC1CCCCN1CCO 34a_200020621307_100000211926 [0,1,0,1,0,0|0,0,2]=4 24957 B11R1.41 C#CCN1CCCCC1CC 2230a_100000210034_100000038162 [0,1,0,1,0,0|1,0,1]=4 24958 B11R1.41 C#CCN1CCCCC1CC 34a_100000210034_100000184674 [0,1,0,1,0,0|1,0,1]=4 24959 B11R1.41 C#CCN1CCCCC1CO 2230a_100000210821_100000038162 [0,1,0,1,0,0|0,0,2]=4 24960 B11R1.41 C#CCN1CCCCC1CO 34a_100000210821_100000184674 [0,1,0,1,0,0|0,0,2]=4 24961 B11R1.41 C=CCC1CCCCC1NC 269862a_106832991636_100011214939 [0,1,0,1,0,0|1,0,1]=4 24962 B11R1.41 C=CCC1CCCCC1NC 270004a_106832991635_100011214939 [0,1,0,1,0,0|1,0,1]=4 24963 B11R1.41 C=CCN1CCCCC1CC 2230a_100000210034_100000210623 [0,1,0,1,0,0|1,0,1]=4 24964 B11R1.41 C=CCN1CCCCC1CC 269982a_100000210034_100000210623 [0,1,0,1,0,0|1,0,1]=4 24965 B11R1.41 C=CCN1CCCCC1CC 34a_100000210034_100015514636 [0,1,0,1,0,0|1,0,1]=4 24966 B11R1.41 C=CCN1CCCCC1CO 2230a_100000210821_100000210623 [0,1,0,1,0,0|0,0,2]=4 24967 B11R1.41 C=CCN1CCCCC1CO 269982a_100000210821_100000210623 [0,1,0,1,0,0|0,0,2]=4 24968 B11R1.41 C=CCN1CCCCC1CO 34a_100000210821_100015514636 [0,1,0,1,0,0|0,0,2]=4 24969 B11R1.41 CCC1CCCCC1OCF 34a_100000210738_100015361967 [0,1,0,1,0,0|1,0,0]=3 24970 B11R1.41 CCC1CCCCC1OCF 7a_100000210738_100015361967 [0,1,0,1,0,0|1,0,0]=3 24971 B11R1.41 CCC1CCCCN1CC#N 2230a_100000210034_100011215382 [0,1,0,1,0,0|1,0,1]=4 24972 B11R1.41 CCC1CCCCN1CC#N 269982a_100000210034_100011214920 [0,1,0,1,0,0|1,0,1]=4 24973 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [0,1,0,1,0,0|0,0,2]=4 24974 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [0,1,0,1,0,0|0,0,2]=4 24975 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [0,1,0,1,0,0|0,0,2]=4 24976 B11R1.41 CCC1CCCCN1CCF 2230a_100000210034_100011217306 [0,1,0,1,0,0|1,0,0]=3 24977 B11R1.41 CCC1CCCCN1CCF 269982a_100000210034_100011217306 [0,1,0,1,0,0|1,0,0]=3 24978 B11R1.41 CCC1CCCCN1CCF 34a_100000210034_100011217306 [0,1,0,1,0,0|1,0,0]=3 24979 B11R1.41 CCC1CCCCN1CCO 2230a_100000210034_100000211926 [0,1,0,1,0,0|0,0,0]=2 24980 B11R1.41 CCC1CCCCN1CCO 269982a_100000210034_100000211926 [0,1,0,1,0,0|0,0,0]=2 24981 B11R1.41 CCC1CCCCN1CCO 34a_100000210034_100000211926 [0,1,0,1,0,0|0,0,0]=2 24982 B11R1.41 CCC1CCCCN1COC 2230a_100000210034_100000766300 [0,1,0,1,0,0|1,0,0]=3 24983 B11R1.41 CCC1CCCCN1COC 269982a_100000210034_100000766300 [0,1,0,1,0,0|1,0,0]=3 24984 B11R1.41 CCC1CCCCN1CSC 2230a_100000210034_100011218213 [0,1,0,1,0,0|1,1,0]=4 24985 B11R1.41 CCC1CCCCN1CSC 269982a_100000210034_100011218213 [0,1,0,1,0,0|1,1,0]=4 24986 B11R1.41 CCC1CCCCN1CSC 34a_100000210034_100011218213 [0,1,0,1,0,0|1,1,0]=4 24987 B11R1.41 CCCC1CCCCC1NC 269862a_106832991636_100011218038 [0,1,0,1,0,0|1,0,0]=3 24988 B11R1.41 CCCC1CCCCC1NC 270004a_106832991635_100011218038 [0,1,0,1,0,0|1,0,0]=3 24989 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [0,1,0,1,0,0|0,0,0]=2 24990 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [0,1,0,1,0,0|0,0,0]=2 24991 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [0,1,0,1,0,0|0,0,0]=2 24992 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [0,1,0,1,0,0|0,0,0]=2 24993 B11R1.41 CCCC1CCCCN1CC 2230a_100000701414_100000210202 [0,1,0,1,0,0|1,0,0]=3 24994 B11R1.41 CCCC1CCCCN1CC 269982a_100000701414_100000204670 [0,1,0,1,0,0|1,0,0]=3 24995 B11R1.41 CCCC1CCCCN1CC 34a_100000701414_100000210202 [0,1,0,1,0,0|1,0,0]=3 24996 B11R1.41 CCCC1CCCCN1CF 269982a_100000701414_100015361967 [0,1,0,1,0,0|1,0,0]=3 24997 B11R1.41 CCCC1CCCCN1CF 34a_100000701414_100015361967 [0,1,0,1,0,0|1,0,0]=3 24998 B11R1.41 CCCC1COCCN1CC 2230a_102495339903_100000210202 [0,1,0,1,0,0|2,0,0]=4 24999 B11R1.41 CCCC1COCCN1CC 269982a_102495339903_100000204670 [0,1,0,1,0,0|2,0,0]=4 25000 B11R1.41 CCCC1COCCN1CC 34a_102495339903_100000210202 [0,1,0,1,0,0|2,0,0]=4 25001 B11R1.41 CCCC1COCCN1CF 269982a_102495339903_100015361967 [0,1,0,1,0,0|2,0,0]=4 25002 B11R1.41 CCCC1COCCN1CF 34a_102495339903_100015361967 [0,1,0,1,0,0|2,0,0]=4 25003 B11R1.41 CCCN1CCCCC1C#N 34a_100016989756_100000210303 [0,1,0,1,0,0|1,0,1]=4 25004 B11R1.41 CCCN1CCCCC1CC 2230a_100000210034_100000210303 [0,1,0,1,0,0|1,0,0]=3 25005 B11R1.41 CCCN1CCCCC1CC 269982a_100000210034_100000210303 [0,1,0,1,0,0|1,0,0]=3 25006 B11R1.41 CCCN1CCCCC1CC 34a_100000210034_100000210303 [0,1,0,1,0,0|1,0,0]=3 25007 B11R1.41 CCCN1CCCCC1CO 2230a_100000210821_100000210303 [0,1,0,1,0,0|0,0,0]=2 25008 B11R1.41 CCCN1CCCCC1CO 269982a_100000210821_100000210303 [0,1,0,1,0,0|0,0,0]=2 25009 B11R1.41 CCCN1CCCCC1CO 34a_100000210821_100000210303 [0,1,0,1,0,0|0,0,0]=2 25010 B11R1.41 CCCN1CCOC[C@@H]1CC 2230a_100016988097_100000210303 [0,1,0,1,0,0|2,0,0]=4 25011 B11R1.41 CCCN1CCOC[C@@H]1CC 269982a_100016988097_100000210303 [0,1,0,1,0,0|2,0,0]=4 25012 B11R1.41 CCCN1CCOC[C@@H]1CC 34a_100016988097_100000210303 [0,1,0,1,0,0|2,0,0]=4 25013 B11R1.41 CCCN1CCOC[C@H]1CO 2230a_100000717676_100000210303 [0,1,0,1,0,0|1,0,0]=3 25014 B11R1.41 CCCN1CCOC[C@H]1CO 269982a_100000717676_100000210303 [0,1,0,1,0,0|1,0,0]=3 25015 B11R1.41 CCCN1CCOC[C@H]1CO 34a_100000717676_100000210303 [0,1,0,1,0,0|1,0,0]=3 25016 B11R1.41 CCN1CCCCC1CC#N 2230a_100000133382_100000210202 [0,1,0,1,0,0|1,0,1]=4 25017 B11R1.41 CCN1CCCCC1CC#N 34a_100000133382_100000210202 [0,1,0,1,0,0|1,0,1]=4 25018 B11R1.41 CCN1CCCCC1CCO 2230a_100000211664_100000210202 [0,1,0,1,0,0|0,0,0]=2 25019 B11R1.41 CCN1CCCCC1CCO 269982a_100000211664_100000204670 [0,1,0,1,0,0|0,0,0]=2 25020 B11R1.41 CCN1CCCCC1CCO 34a_100000211664_100000210202 [0,1,0,1,0,0|0,0,0]=2 25021 B11R1.41 CCN1CCCCC1CNC 2230a_100000754393_200000210301 [0,1,0,1,0,0|2,0,0]=4 25022 B11R1.41 CCN1CCCCC1CNC 34a_100000754393_200000210301 [0,1,0,1,0,0|2,0,0]=4 25023 B11R1.41 CCN1CCCCC1CN[13CH3] 2230a_100000754393_200025704644 [0,1,0,1,0,0|2,0,0]=4 25024 B11R1.41 CCN1CCCCC1CN[13CH3] 34a_100000754393_200025704644 [0,1,0,1,0,0|2,0,0]=4 25025 B11R1.41 CCN1CCCCC1COC 2230a_100015184032_100000210202 [0,1,0,1,0,0|1,0,0]=3 25026 B11R1.41 CCN1CCCCC1COC 269982a_100015184032_100000204670 [0,1,0,1,0,0|1,0,0]=3 25027 B11R1.41 CCN1CCCCC1COC 34a_100000225091_200000210301 [0,1,0,1,0,0|1,0,0]=3 25028 B11R1.41 CCN1CCCCC1COC 34a_100015184032_100000210202 [0,1,0,1,0,0|1,0,0]=3 25029 B11R1.41 CCN1CCCCC1COC 7a_100000225091_200000210301 [0,1,0,1,0,0|1,0,0]=3 25030 B11R1.41 CCN1CCCCC1CO[13CH3] 34a_100000225091_200025704644 [0,1,0,1,0,0|1,0,0]=3 25031 B11R1.41 CCN1CCCCC1CO[13CH3] 7a_100000225091_200025704644 [0,1,0,1,0,0|1,0,0]=3 25032 B11R1.41 CCN1CCOC[C@@H]1COC 2230a_100016989928_100000210202 [0,1,0,1,0,0|2,0,0]=4 25033 B11R1.41 CCN1CCOC[C@@H]1COC 269982a_100016989928_100000204670 [0,1,0,1,0,0|2,0,0]=4 25034 B11R1.41 CCN1CCOC[C@@H]1COC 34a_100016989928_100000210202 [0,1,0,1,0,0|2,0,0]=4 25035 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [0,1,0,1,0,0|1,0,0]=3 25036 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [0,1,0,1,0,0|1,0,0]=3 25037 B11R1.41 CCNC1CCCCC1CO 270004a_100015525214_100009861125 [0,1,0,1,0,0|0,0,0]=2 25038 B11R1.41 CCNC1CCCCC1OC 270004a_100015525214_100000740605 [0,1,0,1,0,0|1,0,0]=3 25039 B11R1.41 CCNC1CCCCC1OC 34a_100011208099_100000210202 [0,1,0,1,0,0|1,0,0]=3 25040 B11R1.41 CCNC1CCOCC1CO 2230a_214813039666_100000210202 [0,1,0,1,0,0|1,0,0]=3 25041 B11R1.41 CCNC1CCOCC1CO 34a_214813039666_100000210202 [0,1,0,1,0,0|1,0,0]=3 25042 B11R1.41 CCNC1CCOCC1OC 270004a_100015525214_100000095984 [0,1,0,1,0,0|2,0,0]=4 25043 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [0,1,0,1,0,0|1,0,0]=3 25044 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [0,1,0,1,0,0|1,0,0]=3 25045 B11R1.41 CCOC1CCCCC1CN 34a_100011216029_100000210202 [0,1,0,1,0,0|1,0,0]=3 25046 B11R1.41 CCOC1CCCCC1NC 270004a_106832991635_200000031474 [0,1,0,1,0,0|2,0,0]=4 25047 B11R1.41 CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210202 [0,1,0,1,0,0|2,0,0]=4 25048 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210202 [0,1,0,1,0,0|1,0,0]=3 25049 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210202 [0,1,0,1,0,0|1,0,0]=3 25050 B11R1.41 CC[C@H]1COCCN1CCF 2230a_100016988097_100011217306 [0,1,0,1,0,0|2,0,0]=4 25051 B11R1.41 CC[C@H]1COCCN1CCF 269982a_100016988097_100011217306 [0,1,0,1,0,0|2,0,0]=4 25052 B11R1.41 CC[C@H]1COCCN1CCF 34a_100016988097_100011217306 [0,1,0,1,0,0|2,0,0]=4 25053 B11R1.41 CC[C@H]1COCCN1CCO 2230a_100016988097_100000211926 [0,1,0,1,0,0|1,0,0]=3 25054 B11R1.41 CC[C@H]1COCCN1CCO 269982a_100016988097_100000211926 [0,1,0,1,0,0|1,0,0]=3 25055 B11R1.41 CC[C@H]1COCCN1CCO 34a_100016988097_100000211926 [0,1,0,1,0,0|1,0,0]=3 25056 B11R1.41 CC[C@H]1COCCN1COC 2230a_100016988097_100000766300 [0,1,0,1,0,0|2,0,0]=4 25057 B11R1.41 CC[C@H]1COCCN1COC 269982a_100016988097_100000766300 [0,1,0,1,0,0|2,0,0]=4 25058 B11R1.41 CNC1CCCCC1CC#N 270004a_106832991635_100009866218 [0,1,0,1,0,0|1,0,1]=4 25059 B11R1.41 CN[C@@H]1CCCC[C@H]1OCF 34a_100000708425_100015361967 [0,1,0,1,0,0|2,0,0]=4 25060 B11R1.41 COC1CCCCC1NCF 34a_100011208099_100015361967 [0,1,0,1,0,0|2,0,0]=4 25061 B11R1.41 COCC1CCCCN1CF 269982a_100015184032_100015361967 [0,1,0,1,0,0|2,0,0]=4 25062 B11R1.41 COCC1CCCCN1CF 34a_100015184032_100015361967 [0,1,0,1,0,0|2,0,0]=4 25063 B11R1.41 COCN1CCCCC1CO 2230a_100000210821_100000766300 [0,1,0,1,0,0|1,0,0]=3 25064 B11R1.41 COCN1CCCCC1CO 269982a_100000210821_100000766300 [0,1,0,1,0,0|1,0,0]=3 25065 B11R1.41 COCN1CCOC[C@H]1CO 2230a_100000717676_100000766300 [0,1,0,1,0,0|2,0,0]=4 25066 B11R1.41 COCN1CCOC[C@H]1CO 269982a_100000717676_100000766300 [0,1,0,1,0,0|2,0,0]=4 25067 B11R1.41 CO[C@H]1CCCC[C@@H]1OCF 34a_200009815850_100015361967 [0,1,0,1,0,0|2,0,0]=4 25068 B11R1.41 CO[C@H]1CCCC[C@@H]1OCF 7a_200009815850_100015361967 [0,1,0,1,0,0|2,0,0]=4 25069 B11R1.41 CSCN1CCCCC1CO 2230a_100000210821_100011218213 [0,1,0,1,0,0|1,0,0]=3 25070 B11R1.41 CSCN1CCCCC1CO 269982a_100000210821_100011218213 [0,1,0,1,0,0|1,0,0]=3 25071 B11R1.41 CSCN1CCCCC1CO 34a_100000210821_100011218213 [0,1,0,1,0,0|1,0,0]=3 25072 B11R1.41 CSCN1CCOC[C@H]1CO 2230a_100000717676_100011218213 [0,1,0,1,0,0|2,0,0]=4 25073 B11R1.41 CSCN1CCOC[C@H]1CO 269982a_100000717676_100011218213 [0,1,0,1,0,0|2,0,0]=4 25074 B11R1.41 CSCN1CCOC[C@H]1CO 34a_100000717676_100011218213 [0,1,0,1,0,0|2,0,0]=4 25075 B11R1.41 N#CC1CCCCN1CCO 34a_100016989756_100000211926 [0,1,0,1,0,0|1,0,1]=4 25076 B11R1.41 N#CCN1CCCCC1CO 2230a_100000210821_100011215382 [0,1,0,1,0,0|1,0,1]=4 25077 B11R1.41 N#CCN1CCCCC1CO 269982a_100000210821_100011214920 [0,1,0,1,0,0|1,0,1]=4 25078 B11R1.41 NCC1CCCCC1OCF 34a_100011216029_100015361967 [0,1,0,1,0,0|2,0,0]=4 25079 B11R1.41 O=CCN1CCCCC1CO 2230a_100000210821_200015260668 [0,1,0,1,0,0|1,0,1]=4 25080 B11R1.41 O=CCN1CCCCC1CO 269982a_100000210821_200015260668 [0,1,0,1,0,0|1,0,1]=4 25081 B11R1.41 O=CCN1CCCCC1CO 34a_100000210821_200009817547 [0,1,0,1,0,0|1,0,1]=4 25082 B11R1.41 OCC1CCCCN1CCF 2230a_100000210821_100011217306 [0,1,0,1,0,0|1,0,0]=3 25083 B11R1.41 OCC1CCCCN1CCF 269982a_100000210821_100011217306 [0,1,0,1,0,0|1,0,0]=3 25084 B11R1.41 OCC1CCCCN1CCF 34a_100000210821_100011217306 [0,1,0,1,0,0|1,0,0]=3 25085 B11R1.41 OCC1COCCC1NCF 34a_214813039666_100015361967 [0,1,0,1,0,0|2,0,0]=4 25086 B11R1.41 OCCC1CCCCN1CF 269982a_100000211664_100015361967 [0,1,0,1,0,0|1,0,0]=3 25087 B11R1.41 OCCC1CCCCN1CF 34a_100000211664_100015361967 [0,1,0,1,0,0|1,0,0]=3 25088 B11R1.41 OCCN1CCCCC1CO 2230a_100000210821_100000211926 [0,1,0,1,0,0|1,0,0]=3 25089 B11R1.41 OCCN1CCCCC1CO 269982a_100000210821_100000211926 [0,1,0,1,0,0|1,0,0]=3 25090 B11R1.41 OCCN1CCCCC1CO 34a_100000210821_100000211926 [0,1,0,1,0,0|1,0,0]=3 25091 B11R1.41 OCCN1CCOC[C@H]1CO 2230a_100000717676_100000211926 [0,1,0,1,0,0|2,0,0]=4 25092 B11R1.41 OCCN1CCOC[C@H]1CO 269982a_100000717676_100000211926 [0,1,0,1,0,0|2,0,0]=4 25093 B11R1.41 OCCN1CCOC[C@H]1CO 34a_100000717676_100000211926 [0,1,0,1,0,0|2,0,0]=4 25094 B11R1.41 OC[C@@H]1COCCN1CCF 2230a_100000717676_100011217306 [0,1,0,1,0,0|2,0,0]=4 25095 B11R1.41 OC[C@@H]1COCCN1CCF 269982a_100000717676_100011217306 [0,1,0,1,0,0|2,0,0]=4 25096 B11R1.41 OC[C@@H]1COCCN1CCF 34a_100000717676_100011217306 [0,1,0,1,0,0|2,0,0]=4 25097 B11R1.47 BrCCCCCOC1CCC1 34a_100000746331_100000749161 [0,1,0,1,0,0|1,0,0]=3 25098 B11R1.47 BrCCCCCOC1COC1 34a_100000746331_100009818527 [0,1,0,1,0,0|2,0,0]=4 25099 B11R1.47 BrCCCCCOC1COC1 7a_100000746331_100009818527 [0,1,0,1,0,0|2,0,0]=4 25100 B11R1.47 BrCCCCOCC1CCC1 34a_100011216708_100000763275 [0,1,0,1,0,0|1,0,0]=3 25101 B11R1.47 BrCCCCOCC1CCO1 34a_100011216708_100000103362 [0,1,0,1,0,0|1,0,0]=3 25102 B11R1.47 BrCCCCOCC1COC1 34a_100011216708_100010264016 [0,1,0,1,0,0|2,0,0]=4 25103 B11R1.47 BrCCOCCOC1CCC1 34a_100000692535_100000749161 [0,1,0,1,0,0|2,0,0]=4 25104 B11R1.47 C#CCCCCCN1CCC1 269982a_100000754969_100012094781 [0,1,0,1,0,0|1,0,1]=4 25105 B11R1.47 C#CCCCCNC1CCC1 2230a_100000749019_100010269958 [0,1,0,1,0,0|1,0,1]=4 25106 B11R1.47 C#CCCCCNC1CCC1 34a_100000706060_100000749161 [0,1,0,1,0,0|1,0,1]=4 25107 B11R1.47 C#CCCCCNC1CCC1 34a_100000749019_100010269958 [0,1,0,1,0,0|1,0,1]=4 25108 B11R1.47 C#CCCCCOC1CCC1 34a_100000748187_100010269958 [0,1,0,1,0,0|1,0,1]=4 25109 B11R1.47 C#CCCCCOC1CCC1 34a_100000766709_100000749161 [0,1,0,1,0,0|1,0,1]=4 25110 B11R1.47 C#CCCCCSC1CCC1 62a_100010269958_100000749161 [0,1,0,1,0,0|1,0,1]=4 25111 B11R1.47 C#CCCCNCC1CCC1 2230a_100000738700_100000731252 [0,1,0,1,0,0|1,0,1]=4 25112 B11R1.47 C#CCCCNCC1CCC1 34a_100000718082_100000763275 [0,1,0,1,0,0|1,0,1]=4 25113 B11R1.47 C#CCCCNCC1CCC1 34a_100000738700_100000695029 [0,1,0,1,0,0|1,0,1]=4 25114 B11R1.47 C#CCCCNCC1CCO1 34a_100000718082_100000103362 [0,1,0,1,0,0|0,0,2]=4 25115 B11R1.47 C#CCCCNC[C@@H]1CCO1 2230a_100020831831_100000731252 [0,1,0,1,0,0|0,0,2]=4 25116 B11R1.47 C#CCCCNC[C@@H]1CCO1 34a_100020831831_100000695029 [0,1,0,1,0,0|0,0,2]=4 25117 B11R1.47 C#CCCCOCC1CCC1 34a_100000215630_100000763275 [0,1,0,1,0,0|1,0,1]=4 25118 B11R1.47 C#CCCCOCC1CCC1 34a_100000760304_100000695029 [0,1,0,1,0,0|1,0,1]=4 25119 B11R1.47 C#CCCCOCC1CCC1 7a_100000215630_100000763275 [0,1,0,1,0,0|1,0,1]=4 25120 B11R1.47 C#CCCCOCC1CCO1 34a_100000039022_100000695029 [0,1,0,1,0,0|0,0,2]=4 25121 B11R1.47 C#CCCCOCC1CCO1 34a_100000215630_100000103362 [0,1,0,1,0,0|0,0,2]=4 25122 B11R1.47 C#CCCCOCC1CCO1 7a_100000215630_100000103362 [0,1,0,1,0,0|0,0,2]=4 25123 B11R1.47 C#CCCCSCC1CCC1 62a_100000763275_100011215417 [0,1,0,1,0,0|1,0,1]=4 25124 B11R1.47 C#CCCCSCC1CCC1 62a_100011215417_100000763275 [0,1,0,1,0,0|1,0,1]=4 25125 B11R1.47 C#CCCCSCC1CCO1 62a_100000103362_100011215417 [0,1,0,1,0,0|0,0,2]=4 25126 B11R1.47 C#CCCCSCC1CCO1 62a_100011215417_100000103362 [0,1,0,1,0,0|0,0,2]=4 25127 B11R1.47 C/C=C/CCOCC1CCO1 34a_100016278192_100000103362 [0,1,0,1,0,0|0,0,2]=4 25128 B11R1.47 C=CCCCCCN1CCC1 269982a_100000754969_100000700193 [0,1,0,1,0,0|1,0,1]=4 25129 B11R1.47 C=CCCCCNC1CCC1 2230a_100000749019_100011215482 [0,1,0,1,0,0|1,0,1]=4 25130 B11R1.47 C=CCCCCNC1CCC1 270004a_100000703577_100000241760 [0,1,0,1,0,0|1,0,1]=4 25131 B11R1.47 C=CCCCCNC1CCC1 34a_100000703577_100000749161 [0,1,0,1,0,0|1,0,1]=4 25132 B11R1.47 C=CCCCCNC1CCC1 34a_100000749019_100011215482 [0,1,0,1,0,0|1,0,1]=4 25133 B11R1.47 C=CCCCCOC1CCC1 34a_100000748187_100011215482 [0,1,0,1,0,0|1,0,1]=4 25134 B11R1.47 C=CCCCCOC1CCC1 34a_100000766645_100000749161 [0,1,0,1,0,0|1,0,1]=4 25135 B11R1.47 C=CCCCCSC1CCC1 62a_100011215482_100000749161 [0,1,0,1,0,0|1,0,1]=4 25136 B11R1.47 C=CCCCNCC1CCC1 2230a_100000700776_100000763275 [0,1,0,1,0,0|1,0,1]=4 25137 B11R1.47 C=CCCCNCC1CCC1 2230a_100000738700_100011713584 [0,1,0,1,0,0|1,0,1]=4 25138 B11R1.47 C=CCCCNCC1CCC1 269862a_100000700776_100000753134 [0,1,0,1,0,0|1,0,1]=4 25139 B11R1.47 C=CCCCNCC1CCC1 34a_100000700776_100000763275 [0,1,0,1,0,0|1,0,1]=4 25140 B11R1.47 C=CCCCNCC1CCC1 34a_100000738700_100000757094 [0,1,0,1,0,0|1,0,1]=4 25141 B11R1.47 C=CCCCNCC1CCO1 2230a_100000700776_100000103362 [0,1,0,1,0,0|0,0,2]=4 25142 B11R1.47 C=CCCCNCC1CCO1 34a_100000700776_100000103362 [0,1,0,1,0,0|0,0,2]=4 25143 B11R1.47 C=CCCCNC[C@@H]1CCO1 2230a_100020831831_100011713584 [0,1,0,1,0,0|0,0,2]=4 25144 B11R1.47 C=CCCCNC[C@@H]1CCO1 34a_100020831831_100000757094 [0,1,0,1,0,0|0,0,2]=4 25145 B11R1.47 C=CCCCOCC1CCC1 34a_100000758997_100000763275 [0,1,0,1,0,0|1,0,1]=4 25146 B11R1.47 C=CCCCOCC1CCC1 34a_100000760304_100000757094 [0,1,0,1,0,0|1,0,1]=4 25147 B11R1.47 C=CCCCOCC1CCC1 7a_100000758997_100000763275 [0,1,0,1,0,0|1,0,1]=4 25148 B11R1.47 C=CCCCOCC1CCO1 34a_100000039022_100000757094 [0,1,0,1,0,0|0,0,2]=4 25149 B11R1.47 C=CCCCOCC1CCO1 34a_100000758997_100000103362 [0,1,0,1,0,0|0,0,2]=4 25150 B11R1.47 C=CCCCOCC1CCO1 7a_100000758997_100000103362 [0,1,0,1,0,0|0,0,2]=4 25151 B11R1.47 C=CCCCSCC1CCC1 62a_100000763275_100000757094 [0,1,0,1,0,0|1,0,1]=4 25152 B11R1.47 C=CCCCSCC1CCC1 62a_100011713584_100000763275 [0,1,0,1,0,0|1,0,1]=4 25153 B11R1.47 C=CCCCSCC1CCO1 62a_100000103362_100000757094 [0,1,0,1,0,0|0,0,2]=4 25154 B11R1.47 C=CCCCSCC1CCO1 62a_100011713584_100000103362 [0,1,0,1,0,0|0,0,2]=4 25155 B11R1.47 CC#CCCOCC1CCO1 34a_100000750427_100000103362 [0,1,0,1,0,0|0,0,2]=4 25156 B11R1.47 CC/C=C\CNC[C@@H]1CCO1 2230a_100020831831_100103147603 [0,1,0,1,0,0|0,0,2]=4 25157 B11R1.47 CC/C=C\CNC[C@@H]1CCO1 34a_100020831831_100103147603 [0,1,0,1,0,0|0,0,2]=4 25158 B11R1.47 CC/C=C\COCC1CCO1 34a_100000039022_100103147603 [0,1,0,1,0,0|0,0,2]=4 25159 B11R1.47 CC/C=C\COCC1CCO1 34a_100016268518_100000103362 [0,1,0,1,0,0|0,0,2]=4 25160 B11R1.47 CC/C=C\CSCC1CCO1 62a_100000103362_100103147603 [0,1,0,1,0,0|0,0,2]=4 25161 B11R1.47 CC/C=C\CSCC1CCO1 62a_100103147603_100000103362 [0,1,0,1,0,0|0,0,2]=4 25162 B11R1.47 CCC#CCNC[C@@H]1CCO1 2230a_100020831831_100009813939 [0,1,0,1,0,0|0,0,2]=4 25163 B11R1.47 CCC#CCNC[C@@H]1CCO1 34a_100020831831_100009813939 [0,1,0,1,0,0|0,0,2]=4 25164 B11R1.47 CCC#CCOCC1CCO1 34a_100000032950_100000103362 [0,1,0,1,0,0|0,0,2]=4 25165 B11R1.47 CCC#CCOCC1CCO1 34a_100000039022_100009813939 [0,1,0,1,0,0|0,0,2]=4 25166 B11R1.47 CCC#CCSCC1CCO1 62a_100000103362_100009813939 [0,1,0,1,0,0|0,0,2]=4 25167 B11R1.47 CCC#CCSCC1CCO1 62a_100009813939_100000103362 [0,1,0,1,0,0|0,0,2]=4 25168 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [0,1,0,1,0,0|1,0,0]=3 25169 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [0,1,0,1,0,0|1,0,0]=3 25170 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [0,1,0,1,0,0|1,0,0]=3 25171 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [0,1,0,1,0,0|1,0,0]=3 25172 B11R1.47 CCCCCCNC1COC1 2230a_100016991112_100000210314 [0,1,0,1,0,0|1,0,0]=3 25173 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [0,1,0,1,0,0|1,0,0]=3 25174 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [0,1,0,1,0,0|1,0,0]=3 25175 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [0,1,0,1,0,0|1,0,0]=3 25176 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [0,1,0,1,0,0|1,0,0]=3 25177 B11R1.47 CCCCCCOC1CSC1 7a_100000072292_100000210314 [0,1,0,1,0,0|1,1,0]=4 25178 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [0,1,0,1,0,0|1,0,0]=3 25179 B11R1.47 CCCCCCSC1COC1 62a_100000210314_100009818527 [0,1,0,1,0,0|1,0,0]=3 25180 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [0,1,0,1,0,0|1,0,0]=3 25181 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [0,1,0,1,0,0|1,0,0]=3 25182 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [0,1,0,1,0,0|1,0,0]=3 25183 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [0,1,0,1,0,0|1,0,0]=3 25184 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [0,1,0,1,0,0|0,0,0]=2 25185 B11R1.47 CCCCCNCC1COC1 2230a_100000209983_100010264016 [0,1,0,1,0,0|1,0,0]=3 25186 B11R1.47 CCCCCNCC1COC1 2230a_100015281925_100000210326 [0,1,0,1,0,0|1,0,0]=3 25187 B11R1.47 CCCCCNCC1COC1 34a_100015281925_100000718602 [0,1,0,1,0,0|1,0,0]=3 25188 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [0,1,0,1,0,0|0,0,0]=2 25189 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [0,1,0,1,0,0|0,0,0]=2 25190 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [0,1,0,1,0,0|1,0,0]=3 25191 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [0,1,0,1,0,0|1,0,0]=3 25192 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [0,1,0,1,0,0|1,0,0]=3 25193 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [0,1,0,1,0,0|0,0,0]=2 25194 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [0,1,0,1,0,0|0,0,0]=2 25195 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [0,1,0,1,0,0|0,0,0]=2 25196 B11R1.47 CCCCCOCC1CNC1 34a_100016987283_100000718602 [0,1,0,1,0,0|2,0,0]=4 25197 B11R1.47 CCCCCOCC1COC1 34a_100000060846_100000718602 [0,1,0,1,0,0|1,0,0]=3 25198 B11R1.47 CCCCCOCC1COC1 34a_100000210253_100010264016 [0,1,0,1,0,0|1,0,0]=3 25199 B11R1.47 CCCCCOCC1COC1 7a_100000210253_100010264016 [0,1,0,1,0,0|1,0,0]=3 25200 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [0,1,0,1,0,0|1,0,0]=3 25201 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [0,1,0,1,0,0|1,0,0]=3 25202 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [0,1,0,1,0,0|0,0,0]=2 25203 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [0,1,0,1,0,0|0,0,0]=2 25204 B11R1.47 CCCCCSCC1COC1 62a_100000210326_100010264016 [0,1,0,1,0,0|1,0,0]=3 25205 B11R1.47 CCCCCSCC1COC1 62a_100010264016_100000210326 [0,1,0,1,0,0|1,0,0]=3 25206 B11R1.47 CCCCOCCC1COC1 34a_100009855314_100000210210 [0,1,0,1,0,0|1,0,0]=3 25207 B11R1.47 CCCCOCCN1CCC1 269982a_100000754969_100000743108 [0,1,0,1,0,0|2,0,0]=4 25208 B11R1.47 CCCCOCNC1CCC1 2230a_100000749019_100011995733 [0,1,0,1,0,0|2,0,0]=4 25209 B11R1.47 CCCCOCNC1CCC1 34a_100000749019_100011995733 [0,1,0,1,0,0|2,0,0]=4 25210 B11R1.47 CCCCOCNC1COC1 2230a_100016991112_100011995733 [0,1,0,1,0,0|2,0,0]=4 25211 B11R1.47 CCCCOCOC1CCC1 34a_100000748187_100011995733 [0,1,0,1,0,0|2,0,0]=4 25212 B11R1.47 CCCCOCSC1CCC1 62a_100011995733_100000749161 [0,1,0,1,0,0|2,0,0]=4 25213 B11R1.47 CCCCOCSC1COC1 62a_100011995733_100009818527 [0,1,0,1,0,0|2,0,0]=4 25214 B11R1.47 CCCOCCNC1CCC1 2230a_100000749019_100011215938 [0,1,0,1,0,0|2,0,0]=4 25215 B11R1.47 CCCOCCNC1CCC1 270004a_100161115042_100000241760 [0,1,0,1,0,0|2,0,0]=4 25216 B11R1.47 CCCOCCNC1CCC1 34a_100000749019_100011215938 [0,1,0,1,0,0|2,0,0]=4 25217 B11R1.47 CCCOCCNC1CCC1 34a_100161115042_100000749161 [0,1,0,1,0,0|2,0,0]=4 25218 B11R1.47 CCCOCCNC1COC1 2230a_100016991112_100011215938 [0,1,0,1,0,0|2,0,0]=4 25219 B11R1.47 CCCOCCNC1COC1 34a_100161115042_100009818527 [0,1,0,1,0,0|2,0,0]=4 25220 B11R1.47 CCCOCCOC1CCC1 34a_100000748187_100011215938 [0,1,0,1,0,0|2,0,0]=4 25221 B11R1.47 CCCOCCOC1CCC1 34a_100000752267_100000749161 [0,1,0,1,0,0|2,0,0]=4 25222 B11R1.47 CCCOCCOC1COC1 34a_100000752267_100009818527 [0,1,0,1,0,0|2,0,0]=4 25223 B11R1.47 CCCOCCOC1COC1 7a_100000752267_100009818527 [0,1,0,1,0,0|2,0,0]=4 25224 B11R1.47 CCCOCCSC1CCC1 62a_100011215938_100000749161 [0,1,0,1,0,0|2,0,0]=4 25225 B11R1.47 CCCOCCSC1COC1 62a_100011215938_100009818527 [0,1,0,1,0,0|2,0,0]=4 25226 B11R1.47 CCCSCCNC1CCC1 270004a_100020603323_100000241760 [0,1,0,1,0,0|2,0,0]=4 25227 B11R1.47 CCCSCCOC1CCC1 34a_200000230433_100000749161 [0,1,0,1,0,0|2,0,0]=4 25228 B11R1.47 CCCSCCOC1COC1 34a_200000230433_100009818527 [0,1,0,1,0,0|2,0,0]=4 25229 B11R1.47 CCCSCCOC1COC1 7a_200000230433_100009818527 [0,1,0,1,0,0|2,0,0]=4 25230 B11R1.47 CCOCCCNC1CCC1 2230a_100000749019_100012232248 [0,1,0,1,0,0|2,0,0]=4 25231 B11R1.47 CCOCCCNC1CCC1 270004a_100000210961_100000241760 [0,1,0,1,0,0|2,0,0]=4 25232 B11R1.47 CCOCCCNC1CCC1 34a_100000210961_100000749161 [0,1,0,1,0,0|2,0,0]=4 25233 B11R1.47 CCOCCCNC1CCC1 34a_100000749019_100012232248 [0,1,0,1,0,0|2,0,0]=4 25234 B11R1.47 CCOCCCNC1COC1 2230a_100016991112_100012232248 [0,1,0,1,0,0|2,0,0]=4 25235 B11R1.47 CCOCCCNC1COC1 34a_100000210961_100009818527 [0,1,0,1,0,0|2,0,0]=4 25236 B11R1.47 CCOCCCOC1CCC1 34a_100000748187_100012232248 [0,1,0,1,0,0|2,0,0]=4 25237 B11R1.47 CCOCCCOC1CCC1 34a_100000757476_100000749161 [0,1,0,1,0,0|2,0,0]=4 25238 B11R1.47 CCOCCCOC1COC1 34a_100000757476_100009818527 [0,1,0,1,0,0|2,0,0]=4 25239 B11R1.47 CCOCCCOC1COC1 7a_100000757476_100009818527 [0,1,0,1,0,0|2,0,0]=4 25240 B11R1.47 CCOCCCSC1CCC1 62a_100012232248_100000749161 [0,1,0,1,0,0|2,0,0]=4 25241 B11R1.47 CCOCCCSC1COC1 62a_100012232248_100009818527 [0,1,0,1,0,0|2,0,0]=4 25242 B11R1.47 CCOCCNCC1CCC1 2230a_100000738700_100011215890 [0,1,0,1,0,0|2,0,0]=4 25243 B11R1.47 CCOCCNCC1CCC1 2230a_102516460346_100000763275 [0,1,0,1,0,0|2,0,0]=4 25244 B11R1.47 CCOCCNCC1CCC1 269862a_100011200944_100000753134 [0,1,0,1,0,0|2,0,0]=4 25245 B11R1.47 CCOCCNCC1CCC1 34a_100000738700_100000210147 [0,1,0,1,0,0|2,0,0]=4 25246 B11R1.47 CCOCCNCC1CCC1 34a_102516460346_100000763275 [0,1,0,1,0,0|2,0,0]=4 25247 B11R1.47 CCOCCNCC1CCO1 2230a_102516460346_100000103362 [0,1,0,1,0,0|1,0,0]=3 25248 B11R1.47 CCOCCNCC1CCO1 34a_102516460346_100000103362 [0,1,0,1,0,0|1,0,0]=3 25249 B11R1.47 CCOCCNCC1COC1 2230a_100015281925_100011215890 [0,1,0,1,0,0|2,0,0]=4 25250 B11R1.47 CCOCCNCC1COC1 2230a_102516460346_100010264016 [0,1,0,1,0,0|2,0,0]=4 25251 B11R1.47 CCOCCNCC1COC1 34a_100015281925_100000210147 [0,1,0,1,0,0|2,0,0]=4 25252 B11R1.47 CCOCCNCC1COC1 34a_102516460346_100010264016 [0,1,0,1,0,0|2,0,0]=4 25253 B11R1.47 CCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215890 [0,1,0,1,0,0|1,0,0]=3 25254 B11R1.47 CCOCCNC[C@@H]1CCO1 34a_100020831831_100000210147 [0,1,0,1,0,0|1,0,0]=3 25255 B11R1.47 CCOCCOCC1CCC1 34a_100000210136_100000763275 [0,1,0,1,0,0|2,0,0]=4 25256 B11R1.47 CCOCCOCC1CCC1 34a_100000760304_100000210147 [0,1,0,1,0,0|2,0,0]=4 25257 B11R1.47 CCOCCOCC1CCC1 7a_100000210136_100000763275 [0,1,0,1,0,0|2,0,0]=4 25258 B11R1.47 CCOCCOCC1CCO1 34a_100000039022_100000210147 [0,1,0,1,0,0|1,0,0]=3 25259 B11R1.47 CCOCCOCC1CCO1 34a_100000210136_100000103362 [0,1,0,1,0,0|1,0,0]=3 25260 B11R1.47 CCOCCOCC1CCO1 7a_100000210136_100000103362 [0,1,0,1,0,0|1,0,0]=3 25261 B11R1.47 CCOCCOCC1COC1 34a_100000060846_100000210147 [0,1,0,1,0,0|2,0,0]=4 25262 B11R1.47 CCOCCOCC1COC1 34a_100000210136_100010264016 [0,1,0,1,0,0|2,0,0]=4 25263 B11R1.47 CCOCCOCC1COC1 7a_100000210136_100010264016 [0,1,0,1,0,0|2,0,0]=4 25264 B11R1.47 CCOCCSCC1CCC1 62a_100000210147_100000763275 [0,1,0,1,0,0|2,0,0]=4 25265 B11R1.47 CCOCCSCC1CCC1 62a_100000763275_100011215890 [0,1,0,1,0,0|2,0,0]=4 25266 B11R1.47 CCOCCSCC1CCO1 62a_100000103362_100011215890 [0,1,0,1,0,0|1,0,0]=3 25267 B11R1.47 CCOCCSCC1CCO1 62a_100000210147_100000103362 [0,1,0,1,0,0|1,0,0]=3 25268 B11R1.47 CCOCCSCC1COC1 62a_100000210147_100010264016 [0,1,0,1,0,0|2,0,0]=4 25269 B11R1.47 CCOCCSCC1COC1 62a_100010264016_100011215890 [0,1,0,1,0,0|2,0,0]=4 25270 B11R1.47 CCSCCCOC1CCC1 34a_100011216438_100000749161 [0,1,0,1,0,0|2,0,0]=4 25271 B11R1.47 CCSCCCOC1COC1 34a_100011216438_100009818527 [0,1,0,1,0,0|2,0,0]=4 25272 B11R1.47 CCSCCCOC1COC1 7a_100011216438_100009818527 [0,1,0,1,0,0|2,0,0]=4 25273 B11R1.47 CCSCCNCC1CCC1 2230a_100000106463_100000763275 [0,1,0,1,0,0|2,0,0]=4 25274 B11R1.47 CCSCCNCC1CCC1 2230a_100000738700_100000757381 [0,1,0,1,0,0|2,0,0]=4 25275 B11R1.47 CCSCCNCC1CCC1 269862a_100000106463_100000753134 [0,1,0,1,0,0|2,0,0]=4 25276 B11R1.47 CCSCCNCC1CCC1 34a_100000738700_100000757381 [0,1,0,1,0,0|2,0,0]=4 25277 B11R1.47 CCSCCNCC1CCO1 2230a_100000106463_100000103362 [0,1,0,1,0,0|1,0,0]=3 25278 B11R1.47 CCSCCNCC1COC1 2230a_100000106463_100010264016 [0,1,0,1,0,0|2,0,0]=4 25279 B11R1.47 CCSCCNCC1COC1 2230a_100015281925_100000757381 [0,1,0,1,0,0|2,0,0]=4 25280 B11R1.47 CCSCCNCC1COC1 34a_100015281925_100000757381 [0,1,0,1,0,0|2,0,0]=4 25281 B11R1.47 CCSCCNC[C@@H]1CCO1 2230a_100020831831_100000757381 [0,1,0,1,0,0|1,0,0]=3 25282 B11R1.47 CCSCCNC[C@@H]1CCO1 34a_100020831831_100000757381 [0,1,0,1,0,0|1,0,0]=3 25283 B11R1.47 CCSCCOCC1CCC1 34a_100000212035_100000763275 [0,1,0,1,0,0|2,0,0]=4 25284 B11R1.47 CCSCCOCC1CCC1 34a_100000760304_100000757381 [0,1,0,1,0,0|2,0,0]=4 25285 B11R1.47 CCSCCOCC1CCC1 7a_100000212035_100000763275 [0,1,0,1,0,0|2,0,0]=4 25286 B11R1.47 CCSCCOCC1CCO1 34a_100000039022_100000757381 [0,1,0,1,0,0|1,0,0]=3 25287 B11R1.47 CCSCCOCC1CCO1 34a_100000212035_100000103362 [0,1,0,1,0,0|1,0,0]=3 25288 B11R1.47 CCSCCOCC1CCO1 7a_100000212035_100000103362 [0,1,0,1,0,0|1,0,0]=3 25289 B11R1.47 CCSCCOCC1COC1 34a_100000060846_100000757381 [0,1,0,1,0,0|2,0,0]=4 25290 B11R1.47 CCSCCOCC1COC1 34a_100000212035_100010264016 [0,1,0,1,0,0|2,0,0]=4 25291 B11R1.47 CCSCCOCC1COC1 7a_100000212035_100010264016 [0,1,0,1,0,0|2,0,0]=4 25292 B11R1.47 CCSCCSCC1CCC1 62a_100000757381_100000763275 [0,1,0,1,0,0|2,0,0]=4 25293 B11R1.47 CCSCCSCC1CCC1 62a_100000763275_100000757381 [0,1,0,1,0,0|2,0,0]=4 25294 B11R1.47 CCSCCSCC1CCO1 62a_100000103362_100000757381 [0,1,0,1,0,0|1,0,0]=3 25295 B11R1.47 CCSCCSCC1CCO1 62a_100000757381_100000103362 [0,1,0,1,0,0|1,0,0]=3 25296 B11R1.47 CCSCCSCC1COC1 62a_100000757381_100010264016 [0,1,0,1,0,0|2,0,0]=4 25297 B11R1.47 CCSCCSCC1COC1 62a_100010264016_100000757381 [0,1,0,1,0,0|2,0,0]=4 25298 B11R1.47 CNCCCOCC1CCC1 34a_100000213112_100000763275 [0,1,0,1,0,0|2,0,0]=4 25299 B11R1.47 CNCCCOCC1CCO1 34a_100000213112_100000103362 [0,1,0,1,0,0|1,0,0]=3 25300 B11R1.47 CNCCCOCC1COC1 34a_100000213112_100010264016 [0,1,0,1,0,0|2,0,0]=4 25301 B11R1.47 COCCCCNC1CCC1 2230a_100000749019_100000730899 [0,1,0,1,0,0|1,0,0]=3 25302 B11R1.47 COCCCCNC1CCC1 34a_100000749019_100000755781 [0,1,0,1,0,0|1,0,0]=3 25303 B11R1.47 COCCCCNC1COC1 2230a_100016991112_100000730899 [0,1,0,1,0,0|2,0,0]=4 25304 B11R1.47 COCCCCOC1CCC1 34a_100000740925_100000749161 [0,1,0,1,0,0|1,0,0]=3 25305 B11R1.47 COCCCCOC1CCC1 34a_100000748187_100000755781 [0,1,0,1,0,0|1,0,0]=3 25306 B11R1.47 COCCCCOC1COC1 34a_100000740925_100009818527 [0,1,0,1,0,0|2,0,0]=4 25307 B11R1.47 COCCCCOC1CSC1 7a_100000072292_100000730899 [0,1,0,1,0,0|2,0,0]=4 25308 B11R1.47 COCCCCSC1CCC1 62a_100000730899_100000749161 [0,1,0,1,0,0|1,0,0]=3 25309 B11R1.47 COCCCCSC1COC1 62a_100000730899_100009818527 [0,1,0,1,0,0|2,0,0]=4 25310 B11R1.47 COCCCNCC1CCC1 2230a_100000738700_100000740836 [0,1,0,1,0,0|1,0,0]=3 25311 B11R1.47 COCCCNCC1CCC1 269862a_100150723488_100000753134 [0,1,0,1,0,0|1,0,0]=3 25312 B11R1.47 COCCCNCC1CCC1 34a_100000738700_100000740836 [0,1,0,1,0,0|1,0,0]=3 25313 B11R1.47 COCCCNCC1CCC1 34a_100150723488_100000763275 [0,1,0,1,0,0|1,0,0]=3 25314 B11R1.47 COCCCNCC1CCO1 34a_100150723488_100000103362 [0,1,0,1,0,0|1,0,0]=3 25315 B11R1.47 COCCCNCC1COC1 2230a_100015281925_100000740836 [0,1,0,1,0,0|2,0,0]=4 25316 B11R1.47 COCCCNCC1COC1 34a_100015281925_100000740836 [0,1,0,1,0,0|2,0,0]=4 25317 B11R1.47 COCCCNCC1COC1 34a_100150723488_100010264016 [0,1,0,1,0,0|2,0,0]=4 25318 B11R1.47 COCCCNC[C@@H]1CCO1 2230a_100020831831_100000740836 [0,1,0,1,0,0|1,0,0]=3 25319 B11R1.47 COCCCNC[C@@H]1CCO1 34a_100020831831_100000740836 [0,1,0,1,0,0|1,0,0]=3 25320 B11R1.47 COCCCOCC1CCC1 34a_100000740835_100000763275 [0,1,0,1,0,0|1,0,0]=3 25321 B11R1.47 COCCCOCC1CCC1 34a_100000760304_100000740836 [0,1,0,1,0,0|1,0,0]=3 25322 B11R1.47 COCCCOCC1CCO1 34a_100000039022_100000740836 [0,1,0,1,0,0|1,0,0]=3 25323 B11R1.47 COCCCOCC1CCO1 34a_100000740835_100000103362 [0,1,0,1,0,0|1,0,0]=3 25324 B11R1.47 COCCCOCC1CNC1 34a_100016987283_100000740836 [0,1,0,1,0,0|2,0,0]=4 25325 B11R1.47 COCCCOCC1COC1 34a_100000060846_100000740836 [0,1,0,1,0,0|2,0,0]=4 25326 B11R1.47 COCCCOCC1COC1 34a_100000740835_100010264016 [0,1,0,1,0,0|2,0,0]=4 25327 B11R1.47 COCCCSCC1CCC1 62a_100000709357_100000763275 [0,1,0,1,0,0|1,0,0]=3 25328 B11R1.47 COCCCSCC1CCC1 62a_100000763275_100000709357 [0,1,0,1,0,0|1,0,0]=3 25329 B11R1.47 COCCCSCC1CCO1 62a_100000103362_100000709357 [0,1,0,1,0,0|1,0,0]=3 25330 B11R1.47 COCCCSCC1CCO1 62a_100000709357_100000103362 [0,1,0,1,0,0|1,0,0]=3 25331 B11R1.47 COCCCSCC1COC1 62a_100000709357_100010264016 [0,1,0,1,0,0|2,0,0]=4 25332 B11R1.47 COCCCSCC1COC1 62a_100010264016_100000709357 [0,1,0,1,0,0|2,0,0]=4 25333 B11R1.47 COCCOCCC1COC1 34a_100009855314_100011201679 [0,1,0,1,0,0|2,0,0]=4 25334 B11R1.47 COCCOCCN1CCC1 269982a_100000754969_100000695917 [0,1,0,1,0,0|2,0,0]=4 25335 B11R1.47 COCCOCNC1CCC1 2230a_100000749019_100000231047 [0,1,0,1,0,0|2,0,0]=4 25336 B11R1.47 COCCOCSC1CCC1 62a_100000231047_100000749161 [0,1,0,1,0,0|2,0,0]=4 25337 B11R1.47 CSCCCCOC1CCC1 34a_100011217163_100000749161 [0,1,0,1,0,0|1,1,0]=4 25338 B11R1.47 CSCCCCOC1COC1 34a_100011217163_100009818527 [0,1,0,1,0,0|2,0,0]=4 25339 B11R1.47 CSCCCCOC1COC1 7a_100011217163_100009818527 [0,1,0,1,0,0|2,0,0]=4 25340 B11R1.47 CSCCCNCC1CCC1 2230a_100000749238_100000763275 [0,1,0,1,0,0|1,1,0]=4 25341 B11R1.47 CSCCCNCC1CCC1 269862a_100000749238_100000753134 [0,1,0,1,0,0|1,1,0]=4 25342 B11R1.47 CSCCCNCC1CCO1 2230a_100000749238_100000103362 [0,1,0,1,0,0|1,0,0]=3 25343 B11R1.47 CSCCCNCC1COC1 2230a_100000749238_100010264016 [0,1,0,1,0,0|2,0,0]=4 25344 B11R1.47 CSCCCOCC1CCC1 34a_100000690336_100000763275 [0,1,0,1,0,0|1,1,0]=4 25345 B11R1.47 CSCCCOCC1CCC1 7a_100000690336_100000763275 [0,1,0,1,0,0|1,1,0]=4 25346 B11R1.47 CSCCCOCC1CCO1 34a_100000690336_100000103362 [0,1,0,1,0,0|1,0,0]=3 25347 B11R1.47 CSCCCOCC1CCO1 7a_100000690336_100000103362 [0,1,0,1,0,0|1,0,0]=3 25348 B11R1.47 CSCCCOCC1COC1 34a_100000690336_100010264016 [0,1,0,1,0,0|2,0,0]=4 25349 B11R1.47 CSCCCOCC1COC1 7a_100000690336_100010264016 [0,1,0,1,0,0|2,0,0]=4 25350 B11R1.47 CSCCOCCC1COC1 34a_100009855314_100000212216 [0,1,0,1,0,0|2,0,0]=4 25351 B11R1.47 ClCCCCCOC1CCC1 34a_100000746330_100000749161 [0,1,0,1,0,0|1,0,0]=3 25352 B11R1.47 ClCCCCCOC1COC1 34a_100000746330_100009818527 [0,1,0,1,0,0|2,0,0]=4 25353 B11R1.47 ClCCCCCOC1COC1 7a_100000746330_100009818527 [0,1,0,1,0,0|2,0,0]=4 25354 B11R1.47 ClCCCCOCC1CCC1 34a_100000210776_100000763275 [0,1,0,1,0,0|1,0,0]=3 25355 B11R1.47 ClCCCCOCC1CCC1 7a_100000210776_100000763275 [0,1,0,1,0,0|1,0,0]=3 25356 B11R1.47 ClCCCCOCC1CCO1 34a_100000210776_100000103362 [0,1,0,1,0,0|1,0,0]=3 25357 B11R1.47 ClCCCCOCC1CCO1 7a_100000210776_100000103362 [0,1,0,1,0,0|1,0,0]=3 25358 B11R1.47 ClCCCCOCC1COC1 34a_100000210776_100010264016 [0,1,0,1,0,0|2,0,0]=4 25359 B11R1.47 ClCCCCOCC1COC1 7a_100000210776_100010264016 [0,1,0,1,0,0|2,0,0]=4 25360 B11R1.47 ClCCOCCOC1CCC1 34a_100011215305_100000749161 [0,1,0,1,0,0|2,0,0]=4 25361 B11R1.47 FCCCCCCN1CCC1 269982a_100000754969_100015922095 [0,1,0,1,0,0|1,0,0]=3 25362 B11R1.47 FCCCCCNC1CCC1 2230a_100000749019_100000729378 [0,1,0,1,0,0|1,0,0]=3 25363 B11R1.47 FCCCCCNC1CCC1 34a_100000749019_100000729378 [0,1,0,1,0,0|1,0,0]=3 25364 B11R1.47 FCCCCCNC1COC1 2230a_100016991112_100000729378 [0,1,0,1,0,0|2,0,0]=4 25365 B11R1.47 FCCCCCOC1CCC1 34a_100000748187_100000729378 [0,1,0,1,0,0|1,0,0]=3 25366 B11R1.47 FCCCCCOC1CSC1 7a_100000072292_100000729378 [0,1,0,1,0,0|2,0,0]=4 25367 B11R1.47 FCCCCCSC1CCC1 62a_100000729378_100000749161 [0,1,0,1,0,0|1,0,0]=3 25368 B11R1.47 FCCCCCSC1COC1 62a_100000729378_100009818527 [0,1,0,1,0,0|2,0,0]=4 25369 B11R1.47 FCCCCNCC1CCC1 2230a_100000738700_100000729493 [0,1,0,1,0,0|1,0,0]=3 25370 B11R1.47 FCCCCNCC1CCC1 34a_100000738700_100000729493 [0,1,0,1,0,0|1,0,0]=3 25371 B11R1.47 FCCCCNCC1COC1 2230a_100015281925_100000729493 [0,1,0,1,0,0|2,0,0]=4 25372 B11R1.47 FCCCCNCC1COC1 34a_100015281925_100000729493 [0,1,0,1,0,0|2,0,0]=4 25373 B11R1.47 FCCCCNC[C@@H]1CCO1 2230a_100020831831_100000729493 [0,1,0,1,0,0|1,0,0]=3 25374 B11R1.47 FCCCCNC[C@@H]1CCO1 34a_100020831831_100000729493 [0,1,0,1,0,0|1,0,0]=3 25375 B11R1.47 FCCCCOCC1CCC1 34a_100000760304_100000729493 [0,1,0,1,0,0|1,0,0]=3 25376 B11R1.47 FCCCCOCC1CCC1 34a_100011995726_100000763275 [0,1,0,1,0,0|1,0,0]=3 25377 B11R1.47 FCCCCOCC1CCC1 7a_100011995726_100000763275 [0,1,0,1,0,0|1,0,0]=3 25378 B11R1.47 FCCCCOCC1CCO1 34a_100000039022_100000729493 [0,1,0,1,0,0|1,0,0]=3 25379 B11R1.47 FCCCCOCC1CCO1 34a_100011995726_100000103362 [0,1,0,1,0,0|1,0,0]=3 25380 B11R1.47 FCCCCOCC1CCO1 7a_100011995726_100000103362 [0,1,0,1,0,0|1,0,0]=3 25381 B11R1.47 FCCCCOCC1CNC1 34a_100016987283_100000729493 [0,1,0,1,0,0|2,0,0]=4 25382 B11R1.47 FCCCCOCC1COC1 34a_100000060846_100000729493 [0,1,0,1,0,0|2,0,0]=4 25383 B11R1.47 FCCCCOCC1COC1 34a_100011995726_100010264016 [0,1,0,1,0,0|2,0,0]=4 25384 B11R1.47 FCCCCOCC1COC1 7a_100011995726_100010264016 [0,1,0,1,0,0|2,0,0]=4 25385 B11R1.47 FCCCCSCC1CCC1 62a_100000729493_100000763275 [0,1,0,1,0,0|1,0,0]=3 25386 B11R1.47 FCCCCSCC1CCC1 62a_100000763275_100000729493 [0,1,0,1,0,0|1,0,0]=3 25387 B11R1.47 FCCCCSCC1CCO1 62a_100000103362_100000729493 [0,1,0,1,0,0|1,0,0]=3 25388 B11R1.47 FCCCCSCC1CCO1 62a_100000729493_100000103362 [0,1,0,1,0,0|1,0,0]=3 25389 B11R1.47 FCCCCSCC1COC1 62a_100000729493_100010264016 [0,1,0,1,0,0|2,0,0]=4 25390 B11R1.47 FCCCCSCC1COC1 62a_100010264016_100000729493 [0,1,0,1,0,0|2,0,0]=4 25391 B11R1.47 FCCCOCCC1COC1 34a_100009855314_100011934791 [0,1,0,1,0,0|2,0,0]=4 25392 B11R1.47 FCCOCCOC1CCC1 34a_200015357709_100000749161 [0,1,0,1,0,0|2,0,0]=4 25393 B11R1.47 ICCCCCOC1CCC1 34a_200012148887_100000749161 [0,1,0,1,0,0|1,0,0]=3 25394 B11R1.47 ICCCCCOC1COC1 34a_200012148887_100009818527 [0,1,0,1,0,0|2,0,0]=4 25395 B11R1.47 ICCCCCOC1COC1 7a_200012148887_100009818527 [0,1,0,1,0,0|2,0,0]=4 25396 B11R1.47 ICCCCOCC1CCC1 34a_200012148704_100000763275 [0,1,0,1,0,0|1,0,0]=3 25397 B11R1.47 ICCCCOCC1CCO1 34a_200012148704_100000103362 [0,1,0,1,0,0|1,0,0]=3 25398 B11R1.47 ICCCCOCC1COC1 34a_200012148704_100010264016 [0,1,0,1,0,0|2,0,0]=4 25399 B11R1.47 ICCOCCOC1CCC1 34a_100012149058_100000749161 [0,1,0,1,0,0|2,0,0]=4 25400 B11R1.47 N#CCCCCCN1CCC1 269982a_100000754969_100009813376 [0,1,0,1,0,0|1,0,1]=4 25401 B11R1.47 N#CCCCCNC1CCC1 2230a_100000749019_100000211819 [0,1,0,1,0,0|1,0,1]=4 25402 B11R1.47 N#CCCCCNC1CCC1 270004a_100000751965_100000241760 [0,1,0,1,0,0|1,0,1]=4 25403 B11R1.47 N#CCCCCSC1CCC1 62a_100011219923_100000749161 [0,1,0,1,0,0|1,0,1]=4 25404 B11R1.47 N#CCCCNCC1CCC1 2230a_100000738700_100000687738 [0,1,0,1,0,0|1,0,1]=4 25405 B11R1.47 N#CCCCNC[C@@H]1CCO1 2230a_100020831831_100000687738 [0,1,0,1,0,0|1,0,1]=4 25406 B11R1.47 N#CCCCSCC1CCC1 62a_100000687738_100000763275 [0,1,0,1,0,0|1,0,1]=4 25407 B11R1.47 N#CCCCSCC1CCC1 62a_100000763275_100000687738 [0,1,0,1,0,0|1,0,1]=4 25408 B11R1.47 N#CCCCSCC1CCO1 62a_100000103362_100000687738 [0,1,0,1,0,0|1,0,1]=4 25409 B11R1.47 N#CCCCSCC1CCO1 62a_100000687738_100000103362 [0,1,0,1,0,0|1,0,1]=4 25410 B11R1.47 NCCCCCOC1CCC1 34a_100000762737_100000749161 [0,1,0,1,0,0|1,0,0]=3 25411 B11R1.47 NCCCCCOC1COC1 34a_100000762737_100009818527 [0,1,0,1,0,0|2,0,0]=4 25412 B11R1.47 NCCCCOCC1CCC1 34a_100000750430_100000763275 [0,1,0,1,0,0|1,0,0]=3 25413 B11R1.47 NCCCCOCC1CCO1 34a_100000750430_100000103362 [0,1,0,1,0,0|1,0,0]=3 25414 B11R1.47 NCCCCOCC1COC1 34a_100000750430_100010264016 [0,1,0,1,0,0|2,0,0]=4 25415 B11R1.47 NCCOCCOC1CCC1 34a_100000211614_100000749161 [0,1,0,1,0,0|2,0,0]=4 25416 B11R1.47 O=CCCCCCN1CCC1 269982a_100000754969_100000139337 [0,1,0,1,0,0|0,0,2]=4 25417 B11R1.47 O=CCCCCNC1CCC1 2230a_100000749019_100000139335 [0,1,0,1,0,0|0,0,2]=4 25418 B11R1.47 O=CCCCCSC1CCC1 62a_100000139335_100000749161 [0,1,0,1,0,0|0,0,2]=4 25419 B11R1.47 O=CCCCNCC1CCC1 2230a_100000738700_200011292268 [0,1,0,1,0,0|0,0,2]=4 25420 B11R1.47 O=CCCCNC[C@@H]1CCO1 2230a_100020831831_200011292268 [0,1,0,1,0,0|1,0,1]=4 25421 B11R1.47 O=CCCCSCC1CCC1 62a_100000763275_200011292268 [0,1,0,1,0,0|0,0,2]=4 25422 B11R1.47 O=CCCCSCC1CCC1 62a_200011292268_100000763275 [0,1,0,1,0,0|0,0,2]=4 25423 B11R1.47 O=CCCCSCC1CCO1 62a_100000103362_200011292268 [0,1,0,1,0,0|1,0,1]=4 25424 B11R1.47 O=CCCCSCC1CCO1 62a_200011292268_100000103362 [0,1,0,1,0,0|1,0,1]=4 25425 B11R1.47 OCC#CCNCC1CCC1 2230a_100000738700_200000047223 [0,1,0,1,0,0|0,0,2]=4 25426 B11R1.47 OCC#CCNCC1CCC1 34a_100000738700_200000047223 [0,1,0,1,0,0|0,0,2]=4 25427 B11R1.47 OCC#CCOCC1CCC1 34a_100000760304_200000047223 [0,1,0,1,0,0|0,0,2]=4 25428 B11R1.47 OCC#CCSCC1CCC1 62a_100000763275_200000047223 [0,1,0,1,0,0|0,0,2]=4 25429 B11R1.47 OCC#CCSCC1CCC1 62a_200000047223_100000763275 [0,1,0,1,0,0|0,0,2]=4 25430 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [0,1,0,1,0,0|0,0,0]=2 25431 B11R1.47 OCCCCCNC1CCC1 2230a_100000749019_100000746330 [0,1,0,1,0,0|0,0,0]=2 25432 B11R1.47 OCCCCCNC1CCC1 270004a_100000762737_100000241760 [0,1,0,1,0,0|0,0,0]=2 25433 B11R1.47 OCCCCCNC1CCC1 34a_100000749019_100000746330 [0,1,0,1,0,0|0,0,0]=2 25434 B11R1.47 OCCCCCNC1CCC1 34a_100000762737_100000749161 [0,1,0,1,0,0|0,0,0]=2 25435 B11R1.47 OCCCCCNC1COC1 2230a_100016991112_100000746330 [0,1,0,1,0,0|1,0,0]=3 25436 B11R1.47 OCCCCCNC1COC1 34a_100000762737_100009818527 [0,1,0,1,0,0|1,0,0]=3 25437 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [0,1,0,1,0,0|0,0,0]=2 25438 B11R1.47 OCCCCCOC1CSC1 7a_100000072292_100000746330 [0,1,0,1,0,0|1,0,0]=3 25439 B11R1.47 OCCCCCSC1CCC1 62a_100000746330_100000749161 [0,1,0,1,0,0|0,0,0]=2 25440 B11R1.47 OCCCCCSC1COC1 62a_100000746330_100009818527 [0,1,0,1,0,0|1,0,0]=3 25441 B11R1.47 OCCCCNCC1CCC1 2230a_100000738700_100000210776 [0,1,0,1,0,0|0,0,0]=2 25442 B11R1.47 OCCCCNCC1CCC1 2230a_100000750430_100000763275 [0,1,0,1,0,0|0,0,0]=2 25443 B11R1.47 OCCCCNCC1CCC1 269862a_100000750430_100000753134 [0,1,0,1,0,0|0,0,0]=2 25444 B11R1.47 OCCCCNCC1CCC1 34a_100000738700_100011216708 [0,1,0,1,0,0|0,0,0]=2 25445 B11R1.47 OCCCCNCC1CCC1 34a_100000750430_100000763275 [0,1,0,1,0,0|0,0,0]=2 25446 B11R1.47 OCCCCNCC1CCO1 2230a_100000750430_100000103362 [0,1,0,1,0,0|1,0,0]=3 25447 B11R1.47 OCCCCNCC1CCO1 34a_100000750430_100000103362 [0,1,0,1,0,0|1,0,0]=3 25448 B11R1.47 OCCCCNCC1COC1 2230a_100000750430_100010264016 [0,1,0,1,0,0|1,0,0]=3 25449 B11R1.47 OCCCCNCC1COC1 2230a_100015281925_100000210776 [0,1,0,1,0,0|1,0,0]=3 25450 B11R1.47 OCCCCNCC1COC1 34a_100000750430_100010264016 [0,1,0,1,0,0|1,0,0]=3 25451 B11R1.47 OCCCCNCC1COC1 34a_100015281925_100011216708 [0,1,0,1,0,0|1,0,0]=3 25452 B11R1.47 OCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210776 [0,1,0,1,0,0|1,0,0]=3 25453 B11R1.47 OCCCCNC[C@@H]1CCO1 34a_100020831831_100011216708 [0,1,0,1,0,0|1,0,0]=3 25454 B11R1.47 OCCCCOCC1CCC1 34a_100000760304_100011216708 [0,1,0,1,0,0|0,0,0]=2 25455 B11R1.47 OCCCCOCC1CCO1 34a_100000039022_100011216708 [0,1,0,1,0,0|1,0,0]=3 25456 B11R1.47 OCCCCOCC1CNC1 34a_100016987283_100011216708 [0,1,0,1,0,0|1,0,0]=3 25457 B11R1.47 OCCCCOCC1COC1 34a_100000060846_100011216708 [0,1,0,1,0,0|1,0,0]=3 25458 B11R1.47 OCCCCSCC1CCC1 62a_100000210776_100000763275 [0,1,0,1,0,0|0,0,0]=2 25459 B11R1.47 OCCCCSCC1CCC1 62a_100000763275_100000210776 [0,1,0,1,0,0|0,0,0]=2 25460 B11R1.47 OCCCCSCC1CCO1 62a_100000103362_100000210776 [0,1,0,1,0,0|1,0,0]=3 25461 B11R1.47 OCCCCSCC1CCO1 62a_100000210776_100000103362 [0,1,0,1,0,0|1,0,0]=3 25462 B11R1.47 OCCCCSCC1COC1 62a_100000210776_100010264016 [0,1,0,1,0,0|1,0,0]=3 25463 B11R1.47 OCCCCSCC1COC1 62a_100010264016_100000210776 [0,1,0,1,0,0|1,0,0]=3 25464 B11R1.47 OCCCOCCC1COC1 34a_100009855314_100000230001 [0,1,0,1,0,0|1,0,0]=3 25465 B11R1.47 OCCOCCNC1CCC1 2230a_100000749019_100011215305 [0,1,0,1,0,0|1,0,0]=3 25466 B11R1.47 OCCOCCNC1CCC1 270004a_100000211614_100000241760 [0,1,0,1,0,0|1,0,0]=3 25467 B11R1.47 OCCOCCNC1CCC1 34a_100000211614_100000749161 [0,1,0,1,0,0|1,0,0]=3 25468 B11R1.47 OCCOCCNC1CCC1 34a_100000749019_100000692535 [0,1,0,1,0,0|1,0,0]=3 25469 B11R1.47 OCCOCCNC1COC1 2230a_100016991112_100011215305 [0,1,0,1,0,0|2,0,0]=4 25470 B11R1.47 OCCOCCNC1COC1 34a_100000211614_100009818527 [0,1,0,1,0,0|2,0,0]=4 25471 B11R1.47 OCCOCCOC1CCC1 34a_100000748187_100000692535 [0,1,0,1,0,0|1,0,0]=3 25472 B11R1.47 OCCOCCOC1CSC1 7a_100000072292_100011215305 [0,1,0,1,0,0|2,0,0]=4 25473 B11R1.47 OCCOCCSC1CCC1 62a_100011215305_100000749161 [0,1,0,1,0,0|1,0,0]=3 25474 B11R1.47 OCCOCCSC1COC1 62a_100011215305_100009818527 [0,1,0,1,0,0|2,0,0]=4 25475 B11R1.47 OCCSCCNC1CCC1 270004a_100011219999_100000241760 [0,1,0,1,0,0|1,0,0]=3 25476 B11R1.109 CCCC1CCCC1NCC 269862a_100015525214_100000723119 [0,1,0,1,0,0|1,0,0]=3 25477 B11R1.109 CCCC1CCCC1NCC 270004a_100015525214_100000723119 [0,1,0,1,0,0|1,0,0]=3 25478 B11R1.109 CCCN1CCCC1COC 34a_200000694710_200000210301 [0,1,0,1,0,0|1,0,0]=3 25479 B11R1.109 CCCN1CCCC1COC 7a_200000694710_200000210301 [0,1,0,1,0,0|1,0,0]=3 25480 B11R1.109 CCCN1CCCC1CO[13CH3] 34a_200000694710_200025704644 [0,1,0,1,0,0|1,0,0]=3 25481 B11R1.109 CCCN1CCCC1CO[13CH3] 7a_200000694710_200025704644 [0,1,0,1,0,0|1,0,0]=3 25482 B11R1.109 CCCN1CCC[C@H]1COC 2230a_100020646714_100000210303 [0,1,0,1,0,0|1,0,0]=3 25483 B11R1.109 CCCN1CCC[C@H]1COC 269982a_100020646714_100000210303 [0,1,0,1,0,0|1,0,0]=3 25484 B11R1.109 CCCN1CCC[C@H]1COC 34a_100020646714_100000210303 [0,1,0,1,0,0|1,0,0]=3 25485 B11R1.109 COC[C@@H]1CCCN1CCF 2230a_100020646714_100011217306 [0,1,0,1,0,0|2,0,0]=4 25486 B11R1.109 COC[C@@H]1CCCN1CCF 269982a_100020646714_100011217306 [0,1,0,1,0,0|2,0,0]=4 25487 B11R1.109 COC[C@@H]1CCCN1CCF 34a_100020646714_100011217306 [0,1,0,1,0,0|2,0,0]=4 25488 B11R1.109 COC[C@@H]1CCCN1CCO 2230a_100020646714_100000211926 [0,1,0,1,0,0|1,0,0]=3 25489 B11R1.109 COC[C@@H]1CCCN1CCO 269982a_100020646714_100000211926 [0,1,0,1,0,0|1,0,0]=3 25490 B11R1.109 COC[C@@H]1CCCN1CCO 34a_100020646714_100000211926 [0,1,0,1,0,0|1,0,0]=3 25491 B11R1.109 COC[C@@H]1CCCN1COC 2230a_100020646714_100000766300 [0,1,0,1,0,0|2,0,0]=4 25492 B11R1.109 COC[C@@H]1CCCN1COC 269982a_100020646714_100000766300 [0,1,0,1,0,0|2,0,0]=4 25493 B11R1.109 COC[C@@H]1CCCN1CSC 2230a_100020646714_100011218213 [0,1,0,1,0,0|2,0,0]=4 25494 B11R1.109 COC[C@@H]1CCCN1CSC 269982a_100020646714_100011218213 [0,1,0,1,0,0|2,0,0]=4 25495 B11R1.109 COC[C@@H]1CCCN1CSC 34a_100020646714_100011218213 [0,1,0,1,0,0|2,0,0]=4 25496 B11R1.190 C#CCCCCN1CCC1C 269982a_100000755817_100010269958 [0,1,0,1,0,0|1,0,1]=4 25497 B11R1.190 C#CCCCCN1CCC1C 34a_100000755817_100010269958 [0,1,0,1,0,0|1,0,1]=4 25498 B11R1.190 C=CCCCCN1CCC1C 269982a_100000755817_100011215482 [0,1,0,1,0,0|1,0,1]=4 25499 B11R1.190 C=CCCCCN1CCC1C 34a_100000755817_100011215482 [0,1,0,1,0,0|1,0,1]=4 25500 B11R1.190 CC1CCN1CCCCC#N 269982a_100000755817_100011219923 [0,1,0,1,0,0|1,0,1]=4 25501 B11R1.190 CC1CCN1CCCCC=O 269982a_100000755817_100000139335 [0,1,0,1,0,0|0,0,2]=4 25502 B11R1.190 CC1CCN1CCCCCF 269982a_100000755817_100000729378 [0,1,0,1,0,0|1,0,0]=3 25503 B11R1.190 CC1CCN1CCCCCF 34a_100000755817_100000729378 [0,1,0,1,0,0|1,0,0]=3 25504 B11R1.190 CC1CCN1CCCCCO 269982a_100000755817_100000746330 [0,1,0,1,0,0|0,0,0]=2 25505 B11R1.190 CC1CCN1CCCCCO 34a_100000755817_100000746330 [0,1,0,1,0,0|0,0,0]=2 25506 B11R1.190 CC1CCN1CCOCCO 269982a_100000755817_100011215305 [0,1,0,1,0,0|1,0,0]=3 25507 B11R1.190 CC1CCN1CCOCCO 34a_100000755817_100000692535 [0,1,0,1,0,0|1,0,0]=3 25508 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [0,1,0,1,0,0|1,0,0]=3 25509 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [0,1,0,1,0,0|1,0,0]=3 25510 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,1,0,1,0,0|0,0,2]=4 25511 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,1,0,1,0,0|0,0,2]=4 25512 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,1,0,1,0,0|0,0,2]=4 25513 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,1,0,1,0,0|0,0,2]=4 25514 B11R1.190 CCCCOCN1CCC1C 269982a_100000755817_100011995733 [0,1,0,1,0,0|2,0,0]=4 25515 B11R1.190 CCCCOCN1CCC1C 34a_100000755817_100011995733 [0,1,0,1,0,0|2,0,0]=4 25516 B11R1.190 CCCOCCN1CCC1C 269982a_100000755817_100011215938 [0,1,0,1,0,0|2,0,0]=4 25517 B11R1.190 CCCOCCN1CCC1C 34a_100000755817_100011215938 [0,1,0,1,0,0|2,0,0]=4 25518 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,1,0,1,0,0|0,0,2]=4 25519 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,1,0,1,0,0|0,0,2]=4 25520 B11R1.190 CCOCCCN1CCC1C 269982a_100000755817_100012232248 [0,1,0,1,0,0|2,0,0]=4 25521 B11R1.190 CCOCCCN1CCC1C 34a_100000755817_100012232248 [0,1,0,1,0,0|2,0,0]=4 25522 B11R1.190 COCCCCN1CCC1C 269982a_100000755817_100000730899 [0,1,0,1,0,0|1,0,0]=3 25523 B11R1.190 COCCCCN1CCC1C 34a_100000755817_100000755781 [0,1,0,1,0,0|1,0,0]=3 25524 B11R1.190 COCCOCN1CCC1C 269982a_100000755817_100000231047 [0,1,0,1,0,0|2,0,0]=4 25525 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [0,1,0,1,0,0|1,0,1]=4 25526 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,1,0,1,0,0|1,0,1]=4 25527 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,1,0,1,0,0|1,0,1]=4 25528 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [0,1,0,1,0,0|1,0,1]=4 25529 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [0,1,0,1,0,0|1,0,1]=4 25530 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [0,1,0,1,0,0|1,0,1]=4 25531 B11R1.203 BrCCOC1CCCCCC1 34a_100000211926_100011217769 [0,1,0,1,0,0|1,0,0]=3 25532 B11R1.203 C#CCCN1CCCCCC1 2230a_100000185865_100000688953 [0,1,0,1,0,0|1,0,1]=4 25533 B11R1.203 C#CCCN1CCCCCC1 269982a_100000185865_100000730999 [0,1,0,1,0,0|1,0,1]=4 25534 B11R1.203 C#CCCN1CCCCCC1 34a_100000185865_100000688953 [0,1,0,1,0,0|1,0,1]=4 25535 B11R1.203 C#CCNC1CCCCCC1 2230a_100000210984_100000038162 [0,1,0,1,0,0|1,0,1]=4 25536 B11R1.203 C#CCNC1CCCCCC1 34a_100000210984_100000184674 [0,1,0,1,0,0|1,0,1]=4 25537 B11R1.203 C#CCNC1CCCCCC1 34a_100000212058_100011217769 [0,1,0,1,0,0|1,0,1]=4 25538 B11R1.203 C#CCOC1CCCCCC1 34a_100000210247_100011217769 [0,1,0,1,0,0|1,0,1]=4 25539 B11R1.203 C#CCOC1CCCCCC1 34a_100000210887_100000184674 [0,1,0,1,0,0|1,0,1]=4 25540 B11R1.203 C#CCOC1CCCCCC1 7a_100000210887_100000038162 [0,1,0,1,0,0|1,0,1]=4 25541 B11R1.203 C#CCSC1CCCCCC1 62a_100000038162_100011217769 [0,1,0,1,0,0|1,0,1]=4 25542 B11R1.203 C=CCCN1CCCCCC1 2230a_100000185865_100000754431 [0,1,0,1,0,0|1,0,1]=4 25543 B11R1.203 C=CCCN1CCCCCC1 269982a_100000185865_100000754431 [0,1,0,1,0,0|1,0,1]=4 25544 B11R1.203 C=CCCN1CCCCCC1 34a_100000185865_100000754431 [0,1,0,1,0,0|1,0,1]=4 25545 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [0,1,0,1,0,0|1,0,1]=4 25546 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [0,1,0,1,0,0|1,0,1]=4 25547 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [0,1,0,1,0,0|1,0,1]=4 25548 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [0,1,0,1,0,0|1,0,1]=4 25549 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [0,1,0,1,0,0|1,0,1]=4 25550 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [0,1,0,1,0,0|1,0,1]=4 25551 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [0,1,0,1,0,0|1,0,1]=4 25552 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [0,1,0,1,0,0|1,0,1]=4 25553 B11R1.203 CCCCN1CCCCCC1 2230a_100000185865_100000210211 [0,1,0,1,0,0|1,0,0]=3 25554 B11R1.203 CCCCN1CCCCCC1 269982a_100000185865_100000210211 [0,1,0,1,0,0|1,0,0]=3 25555 B11R1.203 CCCCN1CCCCCC1 34a_100000185865_100000210210 [0,1,0,1,0,0|1,0,0]=3 25556 B11R1.203 CCCCN1CCCOCC1 2230a_100000685342_100000210211 [0,1,0,1,0,0|2,0,0]=4 25557 B11R1.203 CCCCN1CCCOCC1 269982a_100000685342_100000210211 [0,1,0,1,0,0|2,0,0]=4 25558 B11R1.203 CCCCN1CCCOCC1 34a_100000685342_100000210210 [0,1,0,1,0,0|2,0,0]=4 25559 B11R1.203 CCCNC1CCCCCC1 2230a_100000210984_100000210303 [0,1,0,1,0,0|1,0,0]=3 25560 B11R1.203 CCCNC1CCCCCC1 270004a_100020643023_100000210131 [0,1,0,1,0,0|1,0,0]=3 25561 B11R1.203 CCCNC1CCCCCC1 34a_100000210984_100000210303 [0,1,0,1,0,0|1,0,0]=3 25562 B11R1.203 CCCNC1CCCNCC1 270004a_100020643023_100015187895 [0,1,0,1,0,0|2,0,0]=4 25563 B11R1.203 CCCOC1CCCCCC1 34a_100000210258_100011217769 [0,1,0,1,0,0|1,0,0]=3 25564 B11R1.203 CCCOC1CCCCCC1 34a_100000210887_100000210303 [0,1,0,1,0,0|1,0,0]=3 25565 B11R1.203 CCCOC1CCCCCC1 7a_100000210887_100000210303 [0,1,0,1,0,0|1,0,0]=3 25566 B11R1.203 CCCSC1CCCCCC1 62a_100000210303_100011217769 [0,1,0,1,0,0|1,0,0]=3 25567 B11R1.203 CCCSC1CCCCCC1 62a_100011217769_100000210303 [0,1,0,1,0,0|1,0,0]=3 25568 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [0,1,0,1,0,0|1,0,0]=3 25569 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [0,1,0,1,0,0|1,0,0]=3 25570 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [0,1,0,1,0,0|1,0,0]=3 25571 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [0,1,0,1,0,0|1,0,0]=3 25572 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [0,1,0,1,0,0|1,0,0]=3 25573 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [0,1,0,1,0,0|1,0,0]=3 25574 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [0,1,0,1,0,0|1,0,0]=3 25575 B11R1.203 CCOCC1CNCCOC1 34a_100103147999_100000210202 [0,1,0,1,0,0|2,0,0]=4 25576 B11R1.203 CCOCN1CCCCCC1 269982a_100000185865_100000739092 [0,1,0,1,0,0|2,0,0]=4 25577 B11R1.203 CCSCC1CCCCCC1 62a_100000210202_200000696569 [0,1,0,1,0,0|1,0,0]=3 25578 B11R1.203 CCSCC1CCCCCC1 62a_200000696569_100000210202 [0,1,0,1,0,0|1,0,0]=3 25579 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [0,1,0,1,0,0|1,0,0]=3 25580 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [0,1,0,1,0,0|1,0,0]=3 25581 B11R1.203 CNCCN1CCCCCC1 7a_106832991635_100000722644 [0,1,0,1,0,0|2,0,0]=4 25582 B11R1.203 COCCN1CCCCCC1 2230a_100000185865_100011201679 [0,1,0,1,0,0|1,0,0]=3 25583 B11R1.203 COCCN1CCCCCC1 269982a_100000185865_100000233755 [0,1,0,1,0,0|1,0,0]=3 25584 B11R1.203 COCCN1CCCCCC1 34a_100000185865_100011201679 [0,1,0,1,0,0|1,0,0]=3 25585 B11R1.203 COCCN1CCCCCC1 34a_100000238007_200000210301 [0,1,0,1,0,0|1,0,0]=3 25586 B11R1.203 COCCN1CCCOCC1 2230a_100000685342_100011201679 [0,1,0,1,0,0|2,0,0]=4 25587 B11R1.203 COCCN1CCCOCC1 269982a_100000685342_100000233755 [0,1,0,1,0,0|2,0,0]=4 25588 B11R1.203 COCCN1CCCOCC1 34a_100000685342_100011201679 [0,1,0,1,0,0|2,0,0]=4 25589 B11R1.203 COCNC1CCCCCC1 2230a_100000210984_100000766300 [0,1,0,1,0,0|1,0,0]=3 25590 B11R1.203 COCSC1CCCCCC1 62a_100000766300_100011217769 [0,1,0,1,0,0|1,0,0]=3 25591 B11R1.203 COCSC1CCCCCC1 62a_100011217769_100000766300 [0,1,0,1,0,0|1,0,0]=3 25592 B11R1.203 CSCCN1CCCCCC1 2230a_100000185865_100000751147 [0,1,0,1,0,0|1,1,0]=4 25593 B11R1.203 CSCCN1CCCCCC1 269982a_100000185865_100000212216 [0,1,0,1,0,0|1,1,0]=4 25594 B11R1.203 CSCCN1CCCCCC1 34a_100000185865_100000212216 [0,1,0,1,0,0|1,1,0]=4 25595 B11R1.203 CSCCN1CCCCCC1 62a_100000722644_200000210301 [0,1,0,1,0,0|1,1,0]=4 25596 B11R1.203 CSCCN1CCCCCC1 62a_200000210301_100000722644 [0,1,0,1,0,0|1,1,0]=4 25597 B11R1.203 CSCNC1CCCCCC1 2230a_100000210984_100011218213 [0,1,0,1,0,0|1,1,0]=4 25598 B11R1.203 CSCNC1CCCCCC1 34a_100000210984_100011218213 [0,1,0,1,0,0|1,1,0]=4 25599 B11R1.203 CSCOC1CCCCCC1 34a_100000210887_100011218213 [0,1,0,1,0,0|1,1,0]=4 25600 B11R1.203 CSCSC1CCCCCC1 62a_100011217769_100011218213 [0,1,0,1,0,0|1,1,0]=4 25601 B11R1.203 CSCSC1CCCCCC1 62a_100011218213_100011217769 [0,1,0,1,0,0|1,1,0]=4 25602 B11R1.203 FCCCN1CCCCCC1 2230a_100000185865_100011934791 [0,1,0,1,0,0|1,0,0]=3 25603 B11R1.203 FCCCN1CCCCCC1 269982a_100000185865_100011934791 [0,1,0,1,0,0|1,0,0]=3 25604 B11R1.203 FCCCN1CCCCCC1 34a_100000185865_100011934791 [0,1,0,1,0,0|1,0,0]=3 25605 B11R1.203 FCCCN1CCCOCC1 2230a_100000685342_100011934791 [0,1,0,1,0,0|2,0,0]=4 25606 B11R1.203 FCCCN1CCCOCC1 269982a_100000685342_100011934791 [0,1,0,1,0,0|2,0,0]=4 25607 B11R1.203 FCCCN1CCCOCC1 34a_100000685342_100011934791 [0,1,0,1,0,0|2,0,0]=4 25608 B11R1.203 FCCNC1CCCCCC1 2230a_100000210984_100011217306 [0,1,0,1,0,0|1,0,0]=3 25609 B11R1.203 FCCNC1CCCCCC1 34a_100000210984_100011217306 [0,1,0,1,0,0|1,0,0]=3 25610 B11R1.203 FCCNC1CCCCCC1 34a_100000724931_100011217769 [0,1,0,1,0,0|1,0,0]=3 25611 B11R1.203 FCCOC1CCCCCC1 34a_100000210887_100011217306 [0,1,0,1,0,0|1,0,0]=3 25612 B11R1.203 FCCOC1CCCCCC1 7a_100000210887_100011217306 [0,1,0,1,0,0|1,0,0]=3 25613 B11R1.203 FCCSC1CCCCCC1 62a_100011217306_100011217769 [0,1,0,1,0,0|1,0,0]=3 25614 B11R1.203 FCCSC1CCCCCC1 62a_100011217769_100011217306 [0,1,0,1,0,0|1,0,0]=3 25615 B11R1.203 FCNCC1CCCCCC1 34a_100015204231_100015361967 [0,1,0,1,0,0|1,0,0]=3 25616 B11R1.203 FCOCC1CCCCCC1 34a_100000699130_100015361967 [0,1,0,1,0,0|1,0,0]=3 25617 B11R1.203 FCOCC1CCCCCC1 7a_100000699130_100015361967 [0,1,0,1,0,0|1,0,0]=3 25618 B11R1.203 FCSCC1CCCCCC1 62a_100015361967_200000696569 [0,1,0,1,0,0|1,0,0]=3 25619 B11R1.203 FCSCC1CCCCCC1 62a_200000696569_100015361967 [0,1,0,1,0,0|1,0,0]=3 25620 B11R1.203 N#CCCN1CCCCCC1 2230a_100000185865_100011215226 [0,1,0,1,0,0|1,0,1]=4 25621 B11R1.203 N#CCCN1CCCCCC1 269982a_100000185865_100011215226 [0,1,0,1,0,0|1,0,1]=4 25622 B11R1.203 N#CCNC1CCCCCC1 2230a_100000210984_100011215382 [0,1,0,1,0,0|1,0,1]=4 25623 B11R1.203 N#CCOC1CCCCCC1 7a_100000210887_100011215382 [0,1,0,1,0,0|1,0,1]=4 25624 B11R1.203 N#CCSC1CCCCCC1 62a_100011215382_100011217769 [0,1,0,1,0,0|1,0,1]=4 25625 B11R1.203 N#CCSC1CCCCCC1 62a_100011217769_100011215382 [0,1,0,1,0,0|1,0,1]=4 25626 B11R1.203 NCCOC1CCCCCC1 34a_100000210304_100011217769 [0,1,0,1,0,0|1,0,0]=3 25627 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [0,1,0,1,0,0|0,0,2]=4 25628 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [0,1,0,1,0,0|0,0,2]=4 25629 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [0,1,0,1,0,0|0,0,2]=4 25630 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [0,1,0,1,0,0|0,0,2]=4 25631 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [0,1,0,1,0,0|0,0,2]=4 25632 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [0,1,0,1,0,0|0,0,2]=4 25633 B11R1.203 OCCCN1CCCCCC1 2230a_100000185865_100000230001 [0,1,0,1,0,0|0,0,0]=2 25634 B11R1.203 OCCCN1CCCCCC1 269982a_100000185865_100011215043 [0,1,0,1,0,0|0,0,0]=2 25635 B11R1.203 OCCCN1CCCCCC1 34a_100000185865_100000230001 [0,1,0,1,0,0|0,0,0]=2 25636 B11R1.203 OCCCN1CCCOCC1 2230a_100000685342_100000230001 [0,1,0,1,0,0|1,0,0]=3 25637 B11R1.203 OCCCN1CCCOCC1 269982a_100000685342_100011215043 [0,1,0,1,0,0|1,0,0]=3 25638 B11R1.203 OCCCN1CCCOCC1 34a_100000685342_100000230001 [0,1,0,1,0,0|1,0,0]=3 25639 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [0,1,0,1,0,0|0,0,0]=2 25640 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [0,1,0,1,0,0|0,0,0]=2 25641 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [0,1,0,1,0,0|0,0,0]=2 25642 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [0,1,0,1,0,0|0,0,0]=2 25643 B11R1.203 OCCNC1CCCNCC1 270004a_100000210304_100015187895 [0,1,0,1,0,0|1,0,0]=3 25644 B11R1.203 OCCNC1CSCCSC1 270004a_100000210304_100000068409 [0,1,0,1,0,0|2,0,0]=4 25645 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [0,1,0,1,0,0|0,0,0]=2 25646 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [0,1,0,1,0,0|0,0,0]=2 25647 B11R1.203 OCCSC1CCCCCC1 62a_100000211926_100011217769 [0,1,0,1,0,0|0,0,0]=2 25648 B11R1.203 OCCSC1CCCCCC1 62a_100011217769_100000211926 [0,1,0,1,0,0|0,0,0]=2 25649 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [0,1,0,1,0,0|1,0,0]=3 25650 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [0,1,0,1,0,0|1,0,0]=3 25651 B11R1.203 [13CH3]OCCN1CCCCCC1 34a_100000238007_200025704644 [0,1,0,1,0,0|1,0,0]=3 25652 B11R1.203 [13CH3]SCCN1CCCCCC1 62a_100000722644_200025704644 [0,1,0,1,0,0|1,1,0]=4 25653 B11R1.203 [13CH3]SCCN1CCCCCC1 62a_200025704644_100000722644 [0,1,0,1,0,0|1,1,0]=4 25654 B11R1.232 CCCCN1CCC1COC 2230a_100015195929_100000210211 [0,1,0,1,0,0|1,0,0]=3 25655 B11R1.232 CCCCN1CCC1COC 269982a_100015195929_100000210211 [0,1,0,1,0,0|1,0,0]=3 25656 B11R1.232 CCCCN1CCC1COC 34a_100015195929_100000210210 [0,1,0,1,0,0|1,0,0]=3 25657 B11R1.232 CCOCN1CCC1COC 269982a_100015195929_100000739092 [0,1,0,1,0,0|2,0,0]=4 25658 B11R1.232 COCC1CCN1CCCF 2230a_100015195929_100011934791 [0,1,0,1,0,0|2,0,0]=4 25659 B11R1.232 COCC1CCN1CCCF 269982a_100015195929_100011934791 [0,1,0,1,0,0|2,0,0]=4 25660 B11R1.232 COCC1CCN1CCCF 34a_100015195929_100011934791 [0,1,0,1,0,0|2,0,0]=4 25661 B11R1.232 COCC1CCN1CCCO 2230a_100015195929_100000230001 [0,1,0,1,0,0|1,0,0]=3 25662 B11R1.232 COCC1CCN1CCCO 269982a_100015195929_100011215043 [0,1,0,1,0,0|1,0,0]=3 25663 B11R1.232 COCC1CCN1CCCO 34a_100015195929_100000230001 [0,1,0,1,0,0|1,0,0]=3 25664 B11R1.232 COCC1CCN1CCSC 2230a_100015195929_100000751147 [0,1,0,1,0,0|2,0,0]=4 25665 B11R1.232 COCC1CCN1CCSC 269982a_100015195929_100000212216 [0,1,0,1,0,0|2,0,0]=4 25666 B11R1.232 COCC1CCN1CCSC 34a_100015195929_100000212216 [0,1,0,1,0,0|2,0,0]=4 25667 B11R1.232 COCCN1CCC1COC 2230a_100015195929_100011201679 [0,1,0,1,0,0|2,0,0]=4 25668 B11R1.232 COCCN1CCC1COC 269982a_100015195929_100000233755 [0,1,0,1,0,0|2,0,0]=4 25669 B11R1.232 COCCN1CCC1COC 34a_100015195929_100011201679 [0,1,0,1,0,0|2,0,0]=4 25670 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [0,1,0,1,0,0|1,0,0]=3 25671 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [0,1,0,1,0,0|1,0,0]=3 25672 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [0,1,0,1,0,0|1,0,0]=3 25673 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [0,1,0,1,0,0|1,0,0]=3 25674 B11R1.248 FCN1CCCCCCCC1 269982a_100000039187_100015361967 [0,1,0,1,0,0|1,0,0]=3 25675 B11R1.248 FCN1CCCCCCCC1 34a_100000039187_100015361967 [0,1,0,1,0,0|1,0,0]=3 25676 B11R1.1 C=C1CCC(CC1)NCCO 270004a_100000210304_100010272673 [0,1,0,1,0,0|1,0,1]=4 25677 B11R1.1 C=C1CCN(CC1)CCCO 2230a_100000752442_100000230001 [0,1,0,1,0,0|1,0,1]=4 25678 B11R1.1 C=C1CCN(CC1)CCCO 269982a_100000752442_100011215043 [0,1,0,1,0,0|1,0,1]=4 25679 B11R1.1 C=C1CCN(CC1)CCCO 34a_100000752442_100000230001 [0,1,0,1,0,0|1,0,1]=4 25680 B11R1.1 CC1CCC(CC1)CNCF 34a_103436935547_100015361967 [0,1,0,1,0,0|2,0,0]=4 25681 B11R1.1 CC1CCC(CC1)COCF 34a_100000701341_100015361967 [0,1,0,1,0,0|2,0,0]=4 25682 B11R1.1 CC1CCC(CC1)NCCF 34a_100000724931_200011216234 [0,1,0,1,0,0|2,0,0]=4 25683 B11R1.1 CC1CCC(CC1)NCCO 270004a_100000210304_100000185489 [0,1,0,1,0,0|1,0,0]=3 25684 B11R1.1 CC1CCC(CC1)NCCO 34a_100016990907_200011216234 [0,1,0,1,0,0|1,0,0]=3 25685 B11R1.1 CC1CCC(CC1)OCCBr 34a_100000211926_200011216234 [0,1,0,1,0,0|2,0,0]=4 25686 B11R1.1 CC1CCC(CC1)OCCF 34a_100000210714_100011217306 [0,1,0,1,0,0|2,0,0]=4 25687 B11R1.1 CC1CCC(CC1)OCCF 7a_100000210714_100011217306 [0,1,0,1,0,0|2,0,0]=4 25688 B11R1.1 CC1CCC(CC1)OCCN 34a_100000210304_200011216234 [0,1,0,1,0,0|2,0,0]=4 25689 B11R1.1 CC1CCC(CC1)OCCO 34a_100000210714_100000211926 [0,1,0,1,0,0|1,0,0]=3 25690 B11R1.1 CC1CCC(CC1)OCCO 7a_100000210714_100000211926 [0,1,0,1,0,0|1,0,0]=3 25691 B11R1.1 CC1CCC(CC1)SCCF 62a_100011217306_200011216234 [0,1,0,1,0,0|2,0,0]=4 25692 B11R1.1 CC1CCC(CC1)SCCO 62a_100000211926_200011216234 [0,1,0,1,0,0|1,0,0]=3 25693 B11R1.1 CC1CCN(CC1)CCCF 2230a_100000188429_100011934791 [0,1,0,1,0,0|2,0,0]=4 25694 B11R1.1 CC1CCN(CC1)CCCF 269982a_100000188429_100011934791 [0,1,0,1,0,0|2,0,0]=4 25695 B11R1.1 CC1CCN(CC1)CCCF 34a_100000188429_100011934791 [0,1,0,1,0,0|2,0,0]=4 25696 B11R1.1 CC1CCN(CC1)CCCO 2230a_100000188429_100000230001 [0,1,0,1,0,0|1,0,0]=3 25697 B11R1.1 CC1CCN(CC1)CCCO 269982a_100000188429_100011215043 [0,1,0,1,0,0|1,0,0]=3 25698 B11R1.1 CC1CCN(CC1)CCCO 34a_100000188429_100000230001 [0,1,0,1,0,0|1,0,0]=3 25699 B11R1.1 CCCCC1CCN(CC1)C 2230a_200016987432_200000210301 [0,1,0,1,0,0|2,0,0]=4 25700 B11R1.1 CCCCC1CCN(CC1)C 269982a_200016987432_200000210301 [0,1,0,1,0,0|2,0,0]=4 25701 B11R1.1 CCCCC1CCN(CC1)C 34a_200016987432_200000210301 [0,1,0,1,0,0|2,0,0]=4 25702 B11R1.1 CCCCC1CCN(CC1)[13CH3] 2230a_200016987432_200025704644 [0,1,0,1,0,0|2,0,0]=4 25703 B11R1.1 CCCCC1CCN(CC1)[13CH3] 269982a_200016987432_200025704644 [0,1,0,1,0,0|2,0,0]=4 25704 B11R1.1 CCCCC1CCN(CC1)[13CH3] 34a_200016987432_200025704644 [0,1,0,1,0,0|2,0,0]=4 25705 B11R1.1 CCCCN1CCC(CC1)C 2230a_100000188429_100000210211 [0,1,0,1,0,0|2,0,0]=4 25706 B11R1.1 CCCCN1CCC(CC1)C 269982a_100000188429_100000210211 [0,1,0,1,0,0|2,0,0]=4 25707 B11R1.1 CCCCN1CCC(CC1)C 34a_100000188429_100000210210 [0,1,0,1,0,0|2,0,0]=4 25708 B11R1.1 CCCCN1CCC(CC1)F 2230a_100015193889_100000210211 [0,1,0,1,0,0|2,0,0]=4 25709 B11R1.1 CCCCN1CCC(CC1)F 269982a_100015193889_100000210211 [0,1,0,1,0,0|2,0,0]=4 25710 B11R1.1 CCCCN1CCC(CC1)F 34a_100015193889_100000210210 [0,1,0,1,0,0|2,0,0]=4 25711 B11R1.1 CCCCN1CCC(CC1)O 2230a_100025773856_100000210211 [0,1,0,1,0,0|2,0,0]=4 25712 B11R1.1 CCCCN1CCC(CC1)O 269982a_100025773856_100000210211 [0,1,0,1,0,0|2,0,0]=4 25713 B11R1.1 CCCNC1CCC(CC1)C 270004a_100020643023_100000185489 [0,1,0,1,0,0|2,0,0]=4 25714 B11R1.1 CCCNC1CCC(CC1)O 270004a_100020643023_100000764474 [0,1,0,1,0,0|2,0,0]=4 25715 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210303 [0,1,0,1,0,0|2,0,0]=4 25716 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210303 [0,1,0,1,0,0|2,0,0]=4 25717 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210258_200011216234 [0,1,0,1,0,0|2,0,0]=4 25718 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210714_100000210303 [0,1,0,1,0,0|2,0,0]=4 25719 B11R1.1 CCCOC1CCC(CC1)C 7a_100000210714_100000210303 [0,1,0,1,0,0|2,0,0]=4 25720 B11R1.1 CCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210303 [0,1,0,1,0,0|2,0,0]=4 25721 B11R1.1 CCCSC1CCC(CC1)C 62a_100000210303_200011216234 [0,1,0,1,0,0|2,0,0]=4 25722 B11R1.1 CCNCC1CCC(CC1)C 2230a_103436935547_100000210202 [0,1,0,1,0,0|2,0,0]=4 25723 B11R1.1 CCNCC1CCC(CC1)C 34a_103436935547_100000210202 [0,1,0,1,0,0|2,0,0]=4 25724 B11R1.1 CCOCC1CCC(CC1)C 34a_100000701341_100000210202 [0,1,0,1,0,0|2,0,0]=4 25725 B11R1.1 CCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210202 [0,1,0,1,0,0|2,0,0]=4 25726 B11R1.1 CN1CCC(CC1)CCCO 2230a_100016988962_200000210301 [0,1,0,1,0,0|1,0,0]=3 25727 B11R1.1 CN1CCC(CC1)CCCO 269982a_100016988962_200000210301 [0,1,0,1,0,0|1,0,0]=3 25728 B11R1.1 CN1CCC(CC1)CCCO 34a_100016988962_200000210301 [0,1,0,1,0,0|1,0,0]=3 25729 B11R1.1 CN1CCC(CC1)NCCO 270004a_100000210304_100000210137 [0,1,0,1,0,0|2,0,0]=4 25730 B11R1.1 CN1CCC(CC1)SCCO 62a_100000211926_100011215917 [0,1,0,1,0,0|2,0,0]=4 25731 B11R1.1 CN1CCN(CC1)CCCO 2230a_100000188432_100000230001 [0,1,0,1,0,0|2,0,0]=4 25732 B11R1.1 CN1CCN(CC1)CCCO 2230a_100000748304_200000210301 [0,1,0,1,0,0|2,0,0]=4 25733 B11R1.1 CN1CCN(CC1)CCCO 269982a_100000188432_100011215043 [0,1,0,1,0,0|2,0,0]=4 25734 B11R1.1 CN1CCN(CC1)CCCO 269982a_100000748304_200000210301 [0,1,0,1,0,0|2,0,0]=4 25735 B11R1.1 CNCCC1CCC(CC1)O 34a_200011935226_200000210301 [0,1,0,1,0,0|2,0,0]=4 25736 B11R1.1 COCCC1CCC(CC1)N 34a_100000070672_200000210301 [0,1,0,1,0,0|2,0,0]=4 25737 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCF 2230a_100020625639_100011217306 [0,1,0,1,0,0|2,0,0]=4 25738 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCF 34a_100020625639_100011217306 [0,1,0,1,0,0|2,0,0]=4 25739 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCO 2230a_100020625639_100000211926 [0,1,0,1,0,0|1,0,0]=3 25740 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCO 34a_100020625639_100000211926 [0,1,0,1,0,0|1,0,0]=3 25741 B11R1.1 FCCCN1CCC(CC1)F 2230a_100015193889_100011934791 [0,1,0,1,0,0|2,0,0]=4 25742 B11R1.1 FCCCN1CCC(CC1)F 269982a_100015193889_100011934791 [0,1,0,1,0,0|2,0,0]=4 25743 B11R1.1 FCCCN1CCC(CC1)F 34a_100015193889_100011934791 [0,1,0,1,0,0|2,0,0]=4 25744 B11R1.1 N[C@H]1CC[C@@H](CC1)COCF 34a_100009821084_100015361967 [0,1,0,1,0,0|2,0,0]=4 25745 B11R1.1 N[C@H]1CC[C@H](CC1)OCCF 34a_100020628982_100011217306 [0,1,0,1,0,0|2,0,0]=4 25746 B11R1.1 N[C@H]1CC[C@H](CC1)OCCO 34a_100020628982_100000211926 [0,1,0,1,0,0|1,0,0]=3 25747 B11R1.1 O=C1CCC(CC1)OCCO 34a_100000764474_100000211926 [0,1,0,1,0,0|1,0,1]=4 25748 B11R1.1 O=C1CCC(CC1)OCCO 7a_100000764474_100000211926 [0,1,0,1,0,0|1,0,1]=4 25749 B11R1.1 O=S1CCN(CC1)CCCO 2230a_100000752083_100000230001 [0,1,0,1,0,0|2,0,0]=4 25750 B11R1.1 O=S1CCN(CC1)CCCO 269982a_100000752083_100011215043 [0,1,0,1,0,0|2,0,0]=4 25751 B11R1.1 OC1CCN(CC1)CCCF 2230a_100025773856_100011934791 [0,1,0,1,0,0|2,0,0]=4 25752 B11R1.1 OC1CCN(CC1)CCCF 269982a_100025773856_100011934791 [0,1,0,1,0,0|2,0,0]=4 25753 B11R1.1 OCCCN1CCC(CC1)F 2230a_100015193889_100000230001 [0,1,0,1,0,0|1,0,0]=3 25754 B11R1.1 OCCCN1CCC(CC1)F 269982a_100015193889_100011215043 [0,1,0,1,0,0|1,0,0]=3 25755 B11R1.1 OCCCN1CCC(CC1)F 34a_100015193889_100000230001 [0,1,0,1,0,0|1,0,0]=3 25756 B11R1.1 OCCCN1CCC(CC1)O 2230a_100025773856_100000230001 [0,1,0,1,0,0|1,0,0]=3 25757 B11R1.1 OCCCN1CCC(CC1)O 269982a_100025773856_100011215043 [0,1,0,1,0,0|1,0,0]=3 25758 B11R1.1 OCCNC1CCC(CC1)O 270004a_100000210304_100000764474 [0,1,0,1,0,0|1,0,0]=3 25759 B11R1.1 [13CH3]N1CCC(CC1)CCCO 2230a_100016988962_200025704644 [0,1,0,1,0,0|1,0,0]=3 25760 B11R1.1 [13CH3]N1CCC(CC1)CCCO 269982a_100016988962_200025704644 [0,1,0,1,0,0|1,0,0]=3 25761 B11R1.1 [13CH3]N1CCC(CC1)CCCO 34a_100016988962_200025704644 [0,1,0,1,0,0|1,0,0]=3 25762 B11R1.1 [13CH3]N1CCN(CC1)CCCO 2230a_100000748304_200025704644 [0,1,0,1,0,0|2,0,0]=4 25763 B11R1.1 [13CH3]N1CCN(CC1)CCCO 269982a_100000748304_200025704644 [0,1,0,1,0,0|2,0,0]=4 25764 B11R1.1 [13CH3]NCCC1CCC(CC1)O 34a_200011935226_200025704644 [0,1,0,1,0,0|2,0,0]=4 25765 B11R1.1 [13CH3]OCCC1CCC(CC1)N 34a_100000070672_200025704644 [0,1,0,1,0,0|2,0,0]=4 25766 B11R1.13 CC1CCCC(C1C)NCF 34a_100000211273_100015361967 [0,1,0,1,0,0|2,0,0]=4 25767 B11R1.13 CC1CCCC(C1C)OCF 34a_100011217532_100015361967 [0,1,0,1,0,0|2,0,0]=4 25768 B11R1.13 CC1CCCC(C1C)OCF 7a_100011217532_100015361967 [0,1,0,1,0,0|2,0,0]=4 25769 B11R1.13 CCNC1CCCC(C1C)C 2230a_100000211273_100000210202 [0,1,0,1,0,0|2,0,0]=4 25770 B11R1.13 CCNC1CCCC(C1C)C 34a_100000211273_100000210202 [0,1,0,1,0,0|2,0,0]=4 25771 B11R1.13 CCOC1CCCC(C1C)C 34a_100011217532_100000210202 [0,1,0,1,0,0|2,0,0]=4 25772 B11R1.13 CCOC1CCCC(C1C)C 7a_100011217532_100000210202 [0,1,0,1,0,0|2,0,0]=4 25773 B11R1.25 CC(CF)OCC1CCCC1 34a_100016041109_100000740388 [0,1,0,1,0,0|2,0,0]=4 25774 B11R1.25 CC(CF)OCC1CCCC1 7a_100016041109_100000740388 [0,1,0,1,0,0|2,0,0]=4 25775 B11R1.25 CC(CF)OCC1CCCO1 7a_100016041109_100000203698 [0,1,0,1,0,0|2,0,0]=4 25776 B11R1.25 CC(CN)COC1CCCC1 34a_100000744482_100000179811 [0,1,0,1,0,0|2,0,0]=4 25777 B11R1.25 CC(CN)OCC1CCCC1 34a_100000210904_100000740388 [0,1,0,1,0,0|2,0,0]=4 25778 B11R1.25 CC(CO)CNC1CCCC1 34a_100000744482_100000179811 [0,1,0,1,0,0|1,0,0]=3 25779 B11R1.25 CC(CO)CNC1CCOC1 34a_100000744482_100000690089 [0,1,0,1,0,0|2,0,0]=4 25780 B11R1.25 CC(CO)NCC1CCCC1 2230a_100000737975_100012180447 [0,1,0,1,0,0|1,0,0]=3 25781 B11R1.25 CC(CO)NCC1CCCC1 34a_100000737975_100012180447 [0,1,0,1,0,0|1,0,0]=3 25782 B11R1.25 CC(CO)NCC1CCOC1 2230a_100000737293_100012180447 [0,1,0,1,0,0|2,0,0]=4 25783 B11R1.25 CC(CO)NCC1CCOC1 34a_100000737293_100012180447 [0,1,0,1,0,0|2,0,0]=4 25784 B11R1.25 CC(CO)NC[C@@H]1CCCO1 2230a_100020590478_100012180447 [0,1,0,1,0,0|2,0,0]=4 25785 B11R1.25 CC(CO)NC[C@@H]1CCCO1 34a_100020590478_100012180447 [0,1,0,1,0,0|2,0,0]=4 25786 B11R1.25 CC(CO)OCC1CCCC1 34a_100000742336_100012180447 [0,1,0,1,0,0|1,0,0]=3 25787 B11R1.25 CC(CO)OCC1CCCC1 7a_100000742336_100012180447 [0,1,0,1,0,0|1,0,0]=3 25788 B11R1.25 CC(CO)OCC1CCCO1 34a_100000210270_100012180447 [0,1,0,1,0,0|2,0,0]=4 25789 B11R1.25 CC(CO)OCC1CCCO1 7a_100000210270_100012180447 [0,1,0,1,0,0|2,0,0]=4 25790 B11R1.25 CC(CO)OCC1CCNC1 34a_100000748654_100012180447 [0,1,0,1,0,0|2,0,0]=4 25791 B11R1.25 CC(CO)OCC1CCOC1 34a_100000740260_100012180447 [0,1,0,1,0,0|2,0,0]=4 25792 B11R1.25 CC(CO)OC[C@H]1CCCN1 34a_100000745186_100012180447 [0,1,0,1,0,0|2,0,0]=4 25793 B11R1.25 CC(CO)SCC1CCCC1 62a_100012180447_100000740388 [0,1,0,1,0,0|1,0,0]=3 25794 B11R1.25 CC(CO)SCC1CCCO1 62a_100012180447_100000203698 [0,1,0,1,0,0|2,0,0]=4 25795 B11R1.25 CC(CO)SCC1CCOC1 62a_100012180447_100000702531 [0,1,0,1,0,0|2,0,0]=4 25796 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,1,0,1,0,0|1,0,1]=4 25797 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,1,0,1,0,0|1,0,1]=4 25798 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,1,0,1,0,0|0,0,1]=3 25799 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000082924_100000210202 [0,1,0,1,0,0|1,0,1]=4 25800 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000210414_100000740749 [0,1,0,1,0,0|1,0,1]=4 25801 B11R1.25 CCC(=O)CCN1CCCO1 1458a_200015187630_100000210202 [0,1,0,1,0,0|1,0,1]=4 25802 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210414 [0,1,0,1,0,0|1,0,1]=4 25803 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210414 [0,1,0,1,0,0|1,0,1]=4 25804 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210414 [0,1,0,1,0,0|1,0,1]=4 25805 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210414 [0,1,0,1,0,0|1,0,1]=4 25806 B11R1.25 CCC(C)CNC1CCCC1 2230a_100000211070_100000748023 [0,1,0,1,0,0|2,0,0]=4 25807 B11R1.25 CCC(C)CNC1CCCC1 2230a_100020588543_100000179811 [0,1,0,1,0,0|2,0,0]=4 25808 B11R1.25 CCC(C)CNC1CCCC1 270004a_100000211070_100000243153 [0,1,0,1,0,0|2,0,0]=4 25809 B11R1.25 CCC(C)CNC1CCCC1 270004a_100020588543_100000210133 [0,1,0,1,0,0|2,0,0]=4 25810 B11R1.25 CCC(C)CNC1CCCC1 34a_100000211070_100000748023 [0,1,0,1,0,0|2,0,0]=4 25811 B11R1.25 CCC(C)COC1CCCC1 34a_100000210269_100000748023 [0,1,0,1,0,0|2,0,0]=4 25812 B11R1.25 CCC(C)COC1CCCC1 7a_100000210269_100000748023 [0,1,0,1,0,0|2,0,0]=4 25813 B11R1.25 CCC(C)COC1CCCO1 34a_100000085407_100000748023 [0,1,0,1,0,0|1,0,0]=3 25814 B11R1.25 CCC(C)CSC1CCCC1 62a_100000748023_100000179811 [0,1,0,1,0,0|2,0,0]=4 25815 B11R1.25 CCC(C)CSC1CCCC1 62a_100011217020_100000748023 [0,1,0,1,0,0|2,0,0]=4 25816 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000209981_100000740388 [0,1,0,1,0,0|2,0,0]=4 25817 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000737975_100000758301 [0,1,0,1,0,0|2,0,0]=4 25818 B11R1.25 CCC(C)NCC1CCCC1 269862a_100000209981_100000746403 [0,1,0,1,0,0|2,0,0]=4 25819 B11R1.25 CCC(C)NCC1CCCC1 34a_100000737975_100011215416 [0,1,0,1,0,0|2,0,0]=4 25820 B11R1.25 CCC(C)NCC1CCCO1 2230a_100000209981_100000203698 [0,1,0,1,0,0|1,0,0]=3 25821 B11R1.25 CCC(C)NCC1OCCO1 2230a_100000036311_100000758301 [0,1,0,1,0,0|2,0,0]=4 25822 B11R1.25 CCC(C)NCC1OCCO1 2230a_100000209981_100000755774 [0,1,0,1,0,0|2,0,0]=4 25823 B11R1.25 CCC(C)NCC1OCCO1 34a_100000036311_100011215416 [0,1,0,1,0,0|2,0,0]=4 25824 B11R1.25 CCC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000758301 [0,1,0,1,0,0|1,0,0]=3 25825 B11R1.25 CCC(C)NC[C@@H]1CCCO1 34a_100020590478_100011215416 [0,1,0,1,0,0|1,0,0]=3 25826 B11R1.25 CCC(C)OCC1CCCC1 34a_100000742336_100011215416 [0,1,0,1,0,0|2,0,0]=4 25827 B11R1.25 CCC(C)OCC1CCCC1 7a_100000210228_100000740388 [0,1,0,1,0,0|2,0,0]=4 25828 B11R1.25 CCC(C)OCC1CCCC1 7a_100000742336_100000758301 [0,1,0,1,0,0|2,0,0]=4 25829 B11R1.25 CCC(C)OCC1CCCO1 34a_100000210270_100011215416 [0,1,0,1,0,0|1,0,0]=3 25830 B11R1.25 CCC(C)OCC1CCCO1 7a_100000210228_100000203698 [0,1,0,1,0,0|1,0,0]=3 25831 B11R1.25 CCC(C)OCC1CCCO1 7a_100000210270_100000758301 [0,1,0,1,0,0|1,0,0]=3 25832 B11R1.25 CCC(C)OCC1COCO1 34a_100011216627_100011215416 [0,1,0,1,0,0|2,0,0]=4 25833 B11R1.25 CCC(C)OCC1OCCO1 34a_100000087154_100011215416 [0,1,0,1,0,0|2,0,0]=4 25834 B11R1.25 CCC(C)OCC1OCCO1 7a_100000210228_100000755774 [0,1,0,1,0,0|2,0,0]=4 25835 B11R1.25 CCC(C)OC[C@H]1CCCN1 34a_100000745186_100011215416 [0,1,0,1,0,0|2,0,0]=4 25836 B11R1.25 CCC(C)SCC1CCCC1 62a_100000740388_100000758301 [0,1,0,1,0,0|2,0,0]=4 25837 B11R1.25 CCC(C)SCC1CCCC1 62a_100000758301_100000740388 [0,1,0,1,0,0|2,0,0]=4 25838 B11R1.25 CCC(C)SCC1CCCO1 62a_100000203698_100000758301 [0,1,0,1,0,0|1,0,0]=3 25839 B11R1.25 CCC(C)SCC1CCCO1 62a_100000758301_100000203698 [0,1,0,1,0,0|1,0,0]=3 25840 B11R1.25 CCC(C)SCC1OCCO1 62a_100000755774_100000758301 [0,1,0,1,0,0|2,0,0]=4 25841 B11R1.25 CCC(C)SCC1OCCO1 62a_100000758301_100000755774 [0,1,0,1,0,0|2,0,0]=4 25842 B11R1.25 CCC(O)CNC1CCCC1 2230a_100000211070_100011218378 [0,1,0,1,0,0|2,0,0]=4 25843 B11R1.25 CCC(O)CNC1CCCC1 2230a_100011218483_100000179811 [0,1,0,1,0,0|2,0,0]=4 25844 B11R1.25 CCC(O)CNC1CCCC1 270004a_100011218483_100000210133 [0,1,0,1,0,0|2,0,0]=4 25845 B11R1.25 CCC(O)CNC1CCCC1 34a_100000211070_100011218378 [0,1,0,1,0,0|2,0,0]=4 25846 B11R1.25 CCC(O)COC1CCCC1 34a_100000210269_100011218378 [0,1,0,1,0,0|2,0,0]=4 25847 B11R1.25 CCC(O)COC1CCCC1 7a_100000210269_100011218378 [0,1,0,1,0,0|2,0,0]=4 25848 B11R1.25 CCC(O)COC1CCCO1 34a_100000085407_100011218378 [0,1,0,1,0,0|1,0,0]=3 25849 B11R1.25 CCC(O)CSC1CCCC1 62a_100011217020_100011218378 [0,1,0,1,0,0|2,0,0]=4 25850 B11R1.25 CCC(O)CSC1CCCC1 62a_100011218378_100000179811 [0,1,0,1,0,0|2,0,0]=4 25851 B11R1.25 CCN(C)CCC1CCCC1 2230a_100000225621_100000760354 [0,1,0,1,0,0|2,0,0]=4 25852 B11R1.25 CCN(C)CCC1CCCC1 269982a_100000225621_100000760354 [0,1,0,1,0,0|2,0,0]=4 25853 B11R1.25 CCN(C)CCC1OCCO1 2230a_100000225621_100000740749 [0,1,0,1,0,0|2,0,0]=4 25854 B11R1.25 CCN(C)CCC1OCCO1 269982a_100000225621_100000740749 [0,1,0,1,0,0|2,0,0]=4 25855 B11R1.25 CC[C@H](C)CNC1CCCC1 2230a_100000211070_100009816398 [0,1,0,1,0,0|2,0,0]=4 25856 B11R1.25 CC[C@H](C)CNC1CCCC1 34a_100000211070_100009816398 [0,1,0,1,0,0|2,0,0]=4 25857 B11R1.25 CC[C@H](C)COC1CCCC1 34a_100000210269_100009816398 [0,1,0,1,0,0|2,0,0]=4 25858 B11R1.25 CC[C@H](C)COC1CCCC1 7a_100000210269_100009816398 [0,1,0,1,0,0|2,0,0]=4 25859 B11R1.25 CC[C@H](C)COC1CCCC1 7a_100009816381_100000179811 [0,1,0,1,0,0|2,0,0]=4 25860 B11R1.25 CC[C@H](C)COC1CCCO1 34a_100000085407_100009816398 [0,1,0,1,0,0|1,0,0]=3 25861 B11R1.25 CC[C@H](C)CSC1CCCC1 62a_100009816398_100000179811 [0,1,0,1,0,0|2,0,0]=4 25862 B11R1.25 CC[C@H](C)CSC1CCCC1 62a_100011217020_100009816398 [0,1,0,1,0,0|2,0,0]=4 25863 B11R1.25 CNC(=O)CCC1CCCO1 11a_106832991635_100011247709 [0,1,0,1,0,0|1,0,1]=4 25864 B11R1.25 CNC(=O)CCC1CCCO1 1626a_100102657272_100011247709 [0,1,0,1,0,0|1,0,1]=4 25865 B11R1.25 CNC(=O)CCC1CCCO1 240690a_100102657272_100011247709 [0,1,0,1,0,0|1,0,1]=4 25866 B11R1.25 CNC(=O)CCC1CCCO1 527a_100102657272_100011247709 [0,1,0,1,0,0|1,0,1]=4 25867 B11R1.25 COC(C)SCC1CCCO1 62a_100000203698_100009879195 [0,1,0,1,0,0|2,0,0]=4 25868 B11R1.25 COC(C)SCC1CCCO1 62a_100009879195_100000203698 [0,1,0,1,0,0|2,0,0]=4 25869 B11R1.25 C[C@@H](CO)CNC1CCCC1 2230a_100000211070_100000059175 [0,1,0,1,0,0|1,0,0]=3 25870 B11R1.25 C[C@@H](CO)CNC1CCCC1 34a_100000211070_100000059175 [0,1,0,1,0,0|1,0,0]=3 25871 B11R1.25 C[C@@H](CO)CN[C@@H]1CCOC1 2230a_200015188469_100000059175 [0,1,0,1,0,0|2,0,0]=4 25872 B11R1.25 C[C@@H](CO)CN[C@H]1CCOC1 2230a_100015188467_100000059175 [0,1,0,1,0,0|2,0,0]=4 25873 B11R1.25 C[C@@H](CO)CN[C@H]1CCOC1 34a_100015188467_100000059175 [0,1,0,1,0,0|2,0,0]=4 25874 B11R1.25 C[C@@H](CO)COC1CCCC1 34a_100000210269_100000059175 [0,1,0,1,0,0|1,0,0]=3 25875 B11R1.25 C[C@@H](CO)COC1CCCC1 7a_100000210269_100000059175 [0,1,0,1,0,0|1,0,0]=3 25876 B11R1.25 C[C@@H](CO)COC1CCCO1 34a_100000085407_100000059175 [0,1,0,1,0,0|2,0,0]=4 25877 B11R1.25 C[C@@H](CO)COC1CCSC1 7a_100011232664_100000059175 [0,1,0,1,0,0|2,0,0]=4 25878 B11R1.25 C[C@@H](CO)CO[C@H]1CCOC1 34a_100000717292_100000059175 [0,1,0,1,0,0|2,0,0]=4 25879 B11R1.25 C[C@@H](CO)CSC1CCCC1 62a_100000059175_100000179811 [0,1,0,1,0,0|1,0,0]=3 25880 B11R1.25 C[C@@H](CO)CSC1CCCC1 62a_100011217020_100000059175 [0,1,0,1,0,0|1,0,0]=3 25881 B11R1.25 C[C@@H](CO)CSC1CCOC1 62a_100000059175_100000690089 [0,1,0,1,0,0|2,0,0]=4 25882 B11R1.25 C[C@H](CF)NCC1CCCC1 269862a_100102880703_100000746403 [0,1,0,1,0,0|2,0,0]=4 25883 B11R1.25 C[C@H](CO)NCC1CCCC1 2230a_100000737577_100000740388 [0,1,0,1,0,0|1,0,0]=3 25884 B11R1.25 C[C@H](CO)NCC1CCCC1 269862a_100000737577_100000746403 [0,1,0,1,0,0|1,0,0]=3 25885 B11R1.25 C[C@H](CO)NCC1CCCO1 2230a_100000737577_100000203698 [0,1,0,1,0,0|2,0,0]=4 25886 B11R1.25 C[C@H](CO)NCC1CCOC1 2230a_100000737577_100000702531 [0,1,0,1,0,0|2,0,0]=4 25887 B11R1.25 C[C@H](CO)SCC1CCCC1 62a_100000740388_100016084084 [0,1,0,1,0,0|1,0,0]=3 25888 B11R1.25 C[C@H](CO)SCC1CCCC1 62a_100016084084_100000740388 [0,1,0,1,0,0|1,0,0]=3 25889 B11R1.25 C[C@H](CO)SCC1CCCO1 62a_100000203698_100016084084 [0,1,0,1,0,0|2,0,0]=4 25890 B11R1.25 C[C@H](CO)SCC1CCCO1 62a_100016084084_100000203698 [0,1,0,1,0,0|2,0,0]=4 25891 B11R1.25 C[C@H](CO)SCC1CCOC1 62a_100000702531_100016084084 [0,1,0,1,0,0|2,0,0]=4 25892 B11R1.25 C[C@H](CO)SCC1CCOC1 62a_100016084084_100000702531 [0,1,0,1,0,0|2,0,0]=4 25893 B11R1.25 ClCC(Cl)COC1CCCC1 34a_100000033668_100000179811 [0,1,0,1,0,0|2,0,0]=4 25894 B11R1.25 NC[C@@H](F)COC1CCCC1 34a_100015665980_100000179811 [0,1,0,1,0,0|2,0,0]=4 25895 B11R1.25 O=C(CF)CCC1CCCC1 1458a_100000211120_100015361967 [0,1,0,1,0,0|1,0,1]=4 25896 B11R1.25 O=C(CF)CCC1CCCO1 1458a_100011247709_100015361967 [0,1,0,1,0,0|1,0,1]=4 25897 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [0,1,0,1,0,0|0,0,1]=3 25898 B11R1.25 O=C(CO)CCN1CCCC1 1458a_100000210174_100000004467 [0,1,0,1,0,0|1,0,1]=4 25899 B11R1.25 O=C(CO)NCC1CCCC1 240690a_100000737975_100000210174 [0,1,0,1,0,0|1,0,1]=4 25900 B11R1.25 O=C(CO)NCC1CCCC1 527a_100000737975_100000210174 [0,1,0,1,0,0|1,0,1]=4 25901 B11R1.25 OCC(O)CNC1CCCC1 2230a_100000211070_100011219619 [0,1,0,1,0,0|1,0,0]=3 25902 B11R1.25 OCC(O)CNC1CCCC1 34a_100000211070_100011219619 [0,1,0,1,0,0|1,0,0]=3 25903 B11R1.25 OCC(O)CN[C@@H]1CCOC1 2230a_200015188469_100011219619 [0,1,0,1,0,0|2,0,0]=4 25904 B11R1.25 OCC(O)CN[C@H]1CCOC1 2230a_100015188467_100011219619 [0,1,0,1,0,0|2,0,0]=4 25905 B11R1.25 OCC(O)CN[C@H]1CCOC1 34a_100015188467_100011219619 [0,1,0,1,0,0|2,0,0]=4 25906 B11R1.25 OCC(O)COC1CCCC1 34a_100000210269_100011219619 [0,1,0,1,0,0|1,0,0]=3 25907 B11R1.25 OCC(O)COC1CCCC1 7a_100000210269_100011219619 [0,1,0,1,0,0|1,0,0]=3 25908 B11R1.25 OCC(O)COC1CCCO1 34a_100000085407_100011219619 [0,1,0,1,0,0|2,0,0]=4 25909 B11R1.25 OCC(O)COC1CCSC1 7a_100011232664_100011219619 [0,1,0,1,0,0|2,0,0]=4 25910 B11R1.25 OCC(O)CO[C@H]1CCOC1 34a_100000717292_100011219619 [0,1,0,1,0,0|2,0,0]=4 25911 B11R1.25 OCC(O)CSC1CCCC1 62a_100011217020_100011219619 [0,1,0,1,0,0|1,0,0]=3 25912 B11R1.25 OCC(O)CSC1CCCC1 62a_100011219619_100000179811 [0,1,0,1,0,0|1,0,0]=3 25913 B11R1.25 OCC(O)CSC1CCOC1 62a_100011219619_100000690089 [0,1,0,1,0,0|2,0,0]=4 25914 B11R1.25 OC[C@@H](O)CNC1CCCC1 2230a_100020644852_100000179811 [0,1,0,1,0,0|1,0,0]=3 25915 B11R1.25 OC[C@@H](O)CNC1CCOC1 2230a_100020644852_100000731011 [0,1,0,1,0,0|2,0,0]=4 25916 B11R1.25 OC[C@H](F)CNC1CCCC1 270004a_100015665980_100000210133 [0,1,0,1,0,0|1,0,0]=3 25917 B11R1.25 OC[C@H](F)CNC1CCCC1 34a_100015665980_100000179811 [0,1,0,1,0,0|1,0,0]=3 25918 B11R1.25 OC[C@H](F)CNC1CCOC1 270004a_100015665980_100000752484 [0,1,0,1,0,0|2,0,0]=4 25919 B11R1.25 OC[C@H](F)CNC1CCOC1 34a_100015665980_100000690089 [0,1,0,1,0,0|2,0,0]=4 25920 B11R1.25 OC[C@H](F)CNC1CCSC1 270004a_100015665980_100000212027 [0,1,0,1,0,0|2,0,0]=4 25921 B11R1.25 OC[C@H](O)CNC1CCCC1 2230a_100000211070_100009815848 [0,1,0,1,0,0|1,0,0]=3 25922 B11R1.25 OC[C@H](O)CNC1CCCC1 34a_100000211070_100009815848 [0,1,0,1,0,0|1,0,0]=3 25923 B11R1.25 OC[C@H](O)CN[C@@H]1CCOC1 2230a_200015188469_100009815848 [0,1,0,1,0,0|2,0,0]=4 25924 B11R1.25 OC[C@H](O)CN[C@H]1CCOC1 2230a_100015188467_100009815848 [0,1,0,1,0,0|2,0,0]=4 25925 B11R1.25 OC[C@H](O)CN[C@H]1CCOC1 34a_100015188467_100009815848 [0,1,0,1,0,0|2,0,0]=4 25926 B11R1.25 OC[C@H](O)COC1CCCC1 34a_100000210269_100009815848 [0,1,0,1,0,0|1,0,0]=3 25927 B11R1.25 OC[C@H](O)COC1CCCC1 7a_100000210269_100009815848 [0,1,0,1,0,0|1,0,0]=3 25928 B11R1.25 OC[C@H](O)COC1CCCO1 34a_100000085407_100009815848 [0,1,0,1,0,0|2,0,0]=4 25929 B11R1.25 OC[C@H](O)COC1CCSC1 7a_100011232664_100009815848 [0,1,0,1,0,0|2,0,0]=4 25930 B11R1.25 OC[C@H](O)CO[C@H]1CCOC1 34a_100000717292_100009815848 [0,1,0,1,0,0|2,0,0]=4 25931 B11R1.25 OC[C@H](O)CSC1CCCC1 62a_100009815848_100000179811 [0,1,0,1,0,0|1,0,0]=3 25932 B11R1.25 OC[C@H](O)CSC1CCCC1 62a_100011217020_100009815848 [0,1,0,1,0,0|1,0,0]=3 25933 B11R1.25 OC[C@H](O)CSC1CCOC1 62a_100009815848_100000690089 [0,1,0,1,0,0|2,0,0]=4 25934 B11R1.25 O[C@@H](CF)CNC1CCCC1 2230a_100000211070_100015614560 [0,1,0,1,0,0|2,0,0]=4 25935 B11R1.25 O[C@@H](CF)CNC1CCCC1 34a_100000211070_100015614560 [0,1,0,1,0,0|2,0,0]=4 25936 B11R1.25 O[C@@H](CF)COC1CCCC1 34a_100000210269_100015614560 [0,1,0,1,0,0|2,0,0]=4 25937 B11R1.25 O[C@@H](CF)COC1CCCC1 7a_100000210269_100015614560 [0,1,0,1,0,0|2,0,0]=4 25938 B11R1.25 O[C@@H](CF)COC1CCCO1 34a_100000085407_100015614560 [0,1,0,1,0,0|2,0,0]=4 25939 B11R1.25 O[C@@H](CF)CSC1CCCC1 62a_100011217020_100015614560 [0,1,0,1,0,0|2,0,0]=4 25940 B11R1.25 O[C@@H](CF)CSC1CCCC1 62a_100015614560_100000179811 [0,1,0,1,0,0|2,0,0]=4 25941 B11R1.40 CC(CF)OC1CCCCC1 34a_100016041109_100000210327 [0,1,0,1,0,0|2,0,0]=4 25942 B11R1.40 CC(CF)OC1CCCCC1 7a_100016041109_100000210327 [0,1,0,1,0,0|2,0,0]=4 25943 B11R1.40 CC(CN)OC1CCCCC1 34a_100000210904_100000210327 [0,1,0,1,0,0|2,0,0]=4 25944 B11R1.40 CC(CO)NC1CCCCC1 2230a_100000182618_100012180447 [0,1,0,1,0,0|1,0,0]=3 25945 B11R1.40 CC(CO)NC1CCCCC1 34a_100000182618_100012180447 [0,1,0,1,0,0|1,0,0]=3 25946 B11R1.40 CC(CO)NC1CCCOC1 2230a_100000719290_100012180447 [0,1,0,1,0,0|2,0,0]=4 25947 B11R1.40 CC(CO)NC1CCCOC1 34a_100000719290_100012180447 [0,1,0,1,0,0|2,0,0]=4 25948 B11R1.40 CC(CO)NC1CCOCC1 2230a_100000741149_100012180447 [0,1,0,1,0,0|2,0,0]=4 25949 B11R1.40 CC(CO)NC1CCOCC1 34a_100000741149_100012180447 [0,1,0,1,0,0|2,0,0]=4 25950 B11R1.40 CC(CO)NC1CCSCC1 2230a_100000748639_100012180447 [0,1,0,1,0,0|2,0,0]=4 25951 B11R1.40 CC(CO)NC1CCSCC1 34a_100000748639_100012180447 [0,1,0,1,0,0|2,0,0]=4 25952 B11R1.40 CC(CO)OC1CCCCC1 34a_100000210231_100012180447 [0,1,0,1,0,0|1,0,0]=3 25953 B11R1.40 CC(CO)OC1CCCCC1 7a_100000210231_100012180447 [0,1,0,1,0,0|1,0,0]=3 25954 B11R1.40 CC(CO)OC1CCCCO1 34a_100000033831_100012180447 [0,1,0,1,0,0|2,0,0]=4 25955 B11R1.40 CC(CO)OC1CCCOC1 34a_100000754041_100012180447 [0,1,0,1,0,0|2,0,0]=4 25956 B11R1.40 CC(CO)OC1CCCSC1 7a_100015962668_100012180447 [0,1,0,1,0,0|2,0,0]=4 25957 B11R1.40 CC(CO)OC1CCOCC1 34a_100000744328_100012180447 [0,1,0,1,0,0|2,0,0]=4 25958 B11R1.40 CC(CO)OC1CCSCC1 34a_100000731022_100012180447 [0,1,0,1,0,0|2,0,0]=4 25959 B11R1.40 CC(CO)OC1CCSCC1 7a_100000731022_100012180447 [0,1,0,1,0,0|2,0,0]=4 25960 B11R1.40 CC(CO)SC1CCCCC1 62a_100012180447_100000210327 [0,1,0,1,0,0|1,0,0]=3 25961 B11R1.40 CC(CO)SC1CCCOC1 62a_100012180447_100000693364 [0,1,0,1,0,0|2,0,0]=4 25962 B11R1.40 CC(CO)SC1CCOCC1 62a_100012180447_100011324220 [0,1,0,1,0,0|2,0,0]=4 25963 B11R1.40 CC(CO)SC1CCSCC1 62a_100012180447_100000069128 [0,1,0,1,0,0|2,0,0]=4 25964 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,1,0,1,0,0|1,0,1]=4 25965 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,1,0,1,0,0|1,0,1]=4 25966 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,1,0,1,0,0|0,0,1]=3 25967 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,1,0,1,0,0|0,0,1]=3 25968 B11R1.40 CCC(C)NC1CCCCC1 2230a_100000182618_100000758301 [0,1,0,1,0,0|2,0,0]=4 25969 B11R1.40 CCC(C)NC1CCCCC1 270004a_100000209981_100000210434 [0,1,0,1,0,0|2,0,0]=4 25970 B11R1.40 CCC(C)NC1CCCCC1 34a_100000182618_100011215416 [0,1,0,1,0,0|2,0,0]=4 25971 B11R1.40 CCC(C)OC1CCCCC1 34a_100000210231_100011215416 [0,1,0,1,0,0|2,0,0]=4 25972 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210228_100000210327 [0,1,0,1,0,0|2,0,0]=4 25973 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210231_100000758301 [0,1,0,1,0,0|2,0,0]=4 25974 B11R1.40 CCC(C)OC1CCCCO1 34a_100000033831_100011215416 [0,1,0,1,0,0|1,0,0]=3 25975 B11R1.40 CCC(C)SC1CCCCC1 62a_100000210327_100000758301 [0,1,0,1,0,0|2,0,0]=4 25976 B11R1.40 CCC(C)SC1CCCCC1 62a_100000758301_100000210327 [0,1,0,1,0,0|2,0,0]=4 25977 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000225621_100000211423 [0,1,0,1,0,0|2,0,0]=4 25978 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000736448_100000210202 [0,1,0,1,0,0|2,0,0]=4 25979 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000225621_100000211423 [0,1,0,1,0,0|2,0,0]=4 25980 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000736448_100000204670 [0,1,0,1,0,0|2,0,0]=4 25981 B11R1.40 CCN(C)CC1CCCCC1 34a_100000736448_100000210202 [0,1,0,1,0,0|2,0,0]=4 25982 B11R1.40 CCN(C)CC1CCCCO1 2230a_100000225621_100000211543 [0,1,0,1,0,0|1,0,0]=3 25983 B11R1.40 CCN(C)CC1CCCCO1 2230a_100000225654_100000210202 [0,1,0,1,0,0|1,0,0]=3 25984 B11R1.40 CCN(C)CC1CCCCO1 2230a_100015185122_200000210301 [0,1,0,1,0,0|1,0,0]=3 25985 B11R1.40 CCN(C)CC1CCCCO1 269982a_100000225621_100000211543 [0,1,0,1,0,0|1,0,0]=3 25986 B11R1.40 CCN(C)CC1CCCCO1 269982a_100000225654_100000204670 [0,1,0,1,0,0|1,0,0]=3 25987 B11R1.40 CCN(C)CC1CCCCO1 269982a_100015185122_200000210301 [0,1,0,1,0,0|1,0,0]=3 25988 B11R1.40 CCN(C)CC1CCCCO1 34a_100000225654_100000210202 [0,1,0,1,0,0|1,0,0]=3 25989 B11R1.40 CCN(C)CC1CCCCO1 34a_100015185122_200000210301 [0,1,0,1,0,0|1,0,0]=3 25990 B11R1.40 CCN(C)CC1COCCO1 2230a_100011398995_100000210202 [0,1,0,1,0,0|2,0,0]=4 25991 B11R1.40 CCN(C)CC1COCCO1 269982a_100011398995_100000204670 [0,1,0,1,0,0|2,0,0]=4 25992 B11R1.40 CCN(C)CC1COCCO1 34a_100011398995_100000210202 [0,1,0,1,0,0|2,0,0]=4 25993 B11R1.40 CCN([13CH3])CC1CCCCO1 2230a_100015185122_200025704644 [0,1,0,1,0,0|1,0,0]=3 25994 B11R1.40 CCN([13CH3])CC1CCCCO1 269982a_100015185122_200025704644 [0,1,0,1,0,0|1,0,0]=3 25995 B11R1.40 CCN([13CH3])CC1CCCCO1 34a_100015185122_200025704644 [0,1,0,1,0,0|1,0,0]=3 25996 B11R1.40 CN(CF)CC1CCCCC1 269982a_100000736448_100015361967 [0,1,0,1,0,0|2,0,0]=4 25997 B11R1.40 CN(CF)CC1CCCCC1 34a_100000736448_100015361967 [0,1,0,1,0,0|2,0,0]=4 25998 B11R1.40 CN(CF)CC1CCCCO1 269982a_100000225654_100015361967 [0,1,0,1,0,0|2,0,0]=4 25999 B11R1.40 CN(CF)CC1CCCCO1 34a_100000225654_100015361967 [0,1,0,1,0,0|2,0,0]=4 26000 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [0,1,0,1,0,0|1,0,1]=4 26001 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [0,1,0,1,0,0|1,0,1]=4 26002 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [0,1,0,1,0,0|1,0,1]=4 26003 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [0,1,0,1,0,0|1,0,1]=4 26004 B11R1.40 CNC(C)CC1CCCCC1 270004a_106832991635_100011215996 [0,1,0,1,0,0|2,0,0]=4 26005 B11R1.40 C[C@@H](CO)CN1CCCOC1 2230a_100000131196_100000059175 [0,1,0,1,0,0|2,0,0]=4 26006 B11R1.40 C[C@@H](CO)CN1CCCOC1 269982a_100000131196_100000059175 [0,1,0,1,0,0|2,0,0]=4 26007 B11R1.40 C[C@@H](CO)CN1CCCOC1 34a_100000131196_100000059175 [0,1,0,1,0,0|2,0,0]=4 26008 B11R1.40 C[C@@H](CO)CN1CCOCC1 2230a_100015191051_100000059175 [0,1,0,1,0,0|2,0,0]=4 26009 B11R1.40 C[C@@H](CO)CN1CCOCC1 269982a_100015191051_100000059175 [0,1,0,1,0,0|2,0,0]=4 26010 B11R1.40 C[C@@H](CO)CN1CCOCC1 34a_100015191051_100000059175 [0,1,0,1,0,0|2,0,0]=4 26011 B11R1.40 C[C@@H](CO)CN1CCSCC1 2230a_100000737611_100000059175 [0,1,0,1,0,0|2,0,0]=4 26012 B11R1.40 C[C@@H](CO)CN1CCSCC1 269982a_100000737611_100000059175 [0,1,0,1,0,0|2,0,0]=4 26013 B11R1.40 C[C@H](CF)NC1CCCCC1 270004a_100102880703_100000210434 [0,1,0,1,0,0|2,0,0]=4 26014 B11R1.40 C[C@H](CO)NC1CCCCC1 270004a_100000737577_100000210434 [0,1,0,1,0,0|1,0,0]=3 26015 B11R1.40 C[C@H](CO)NC1CCCOC1 270004a_100000737577_100000753404 [0,1,0,1,0,0|2,0,0]=4 26016 B11R1.40 C[C@H](CO)NC1CCCSC1 270004a_100000737577_100000057913 [0,1,0,1,0,0|2,0,0]=4 26017 B11R1.40 C[C@H](CO)NC1CCNCC1 270004a_100000737577_100015192401 [0,1,0,1,0,0|2,0,0]=4 26018 B11R1.40 C[C@H](CO)NC1CCOCC1 270004a_100000737577_100011217826 [0,1,0,1,0,0|2,0,0]=4 26019 B11R1.40 C[C@H](CO)NC1CCSCC1 270004a_100000737577_100000203788 [0,1,0,1,0,0|2,0,0]=4 26020 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100000210327_100016084084 [0,1,0,1,0,0|1,0,0]=3 26021 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100016084084_100000210327 [0,1,0,1,0,0|1,0,0]=3 26022 B11R1.40 C[C@H](CO)SC1CCCOC1 62a_100016084084_100000693364 [0,1,0,1,0,0|2,0,0]=4 26023 B11R1.40 C[C@H](CO)SC1CCOCC1 62a_100016084084_100011324220 [0,1,0,1,0,0|2,0,0]=4 26024 B11R1.40 C[C@H](CO)SC1CCSCC1 62a_100016084084_100000069128 [0,1,0,1,0,0|2,0,0]=4 26025 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [0,1,0,1,0,0|1,0,1]=4 26026 B11R1.40 O=C(CF)CC1CCCCO1 1458a_100000238585_100015361967 [0,1,0,1,0,0|1,0,1]=4 26027 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,1,0,1,0,0|0,0,1]=3 26028 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,1,0,1,0,0|1,0,1]=4 26029 B11R1.40 O=C(CO)CC1CCCOC1 1458a_100000210174_100000741521 [0,1,0,1,0,0|1,0,1]=4 26030 B11R1.40 O=C(CO)CC1CCOCC1 1458a_100000210174_100000754603 [0,1,0,1,0,0|1,0,1]=4 26031 B11R1.40 O=C(CO)NC1CCCCC1 240690a_100000182618_100000210174 [0,1,0,1,0,0|1,0,1]=4 26032 B11R1.40 O=C(CO)NC1CCCCC1 527a_100000182618_100000210174 [0,1,0,1,0,0|1,0,1]=4 26033 B11R1.40 OCC(O)CN1CCCOC1 2230a_100000131196_100011219619 [0,1,0,1,0,0|2,0,0]=4 26034 B11R1.40 OCC(O)CN1CCCOC1 34a_100000131196_100011219619 [0,1,0,1,0,0|2,0,0]=4 26035 B11R1.40 OCC(O)CN1CCOCC1 2230a_100015191051_100011219619 [0,1,0,1,0,0|2,0,0]=4 26036 B11R1.40 OCC(O)CN1CCOCC1 34a_100015191051_100011219619 [0,1,0,1,0,0|2,0,0]=4 26037 B11R1.40 OCC(O)CN1CCSCC1 2230a_100000737611_100011219619 [0,1,0,1,0,0|2,0,0]=4 26038 B11R1.40 OC[C@H](O)CN1CCCOC1 2230a_100000131196_100009815848 [0,1,0,1,0,0|2,0,0]=4 26039 B11R1.40 OC[C@H](O)CN1CCCOC1 34a_100000131196_100009815848 [0,1,0,1,0,0|2,0,0]=4 26040 B11R1.40 OC[C@H](O)CN1CCOCC1 2230a_100015191051_100009815848 [0,1,0,1,0,0|2,0,0]=4 26041 B11R1.40 OC[C@H](O)CN1CCOCC1 34a_100015191051_100009815848 [0,1,0,1,0,0|2,0,0]=4 26042 B11R1.40 OC[C@H](O)CN1CCSCC1 2230a_100000737611_100009815848 [0,1,0,1,0,0|2,0,0]=4 26043 B11R1.59 CC(CO)N1CCC[C@@H]1CO 2230a_100000745186_100012180447 [0,1,0,1,0,0|2,0,0]=4 26044 B11R1.59 CC(CO)N1CCC[C@@H]1CO 34a_100000745186_100012180447 [0,1,0,1,0,0|2,0,0]=4 26045 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000210414 [0,1,0,1,0,0|1,0,1]=4 26046 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000210414 [0,1,0,1,0,0|1,0,1]=4 26047 B11R1.59 CCC(C)N1CCCC1CC 2230a_100000754278_100000758301 [0,1,0,1,0,0|2,0,0]=4 26048 B11R1.59 CCC(C)N1CCCC1CC 269982a_100000754278_100000758301 [0,1,0,1,0,0|2,0,0]=4 26049 B11R1.59 CCC(C)N1CCCC1CC 34a_100000754278_100011215416 [0,1,0,1,0,0|2,0,0]=4 26050 B11R1.59 CCC(C)N1CCC[C@@H]1CO 2230a_100000745186_100000758301 [0,1,0,1,0,0|1,0,0]=3 26051 B11R1.59 CCC(C)N1CCC[C@@H]1CO 269982a_100000745186_100000758301 [0,1,0,1,0,0|1,0,0]=3 26052 B11R1.59 CCC(C)N1CCC[C@@H]1CO 34a_100000745186_100011215416 [0,1,0,1,0,0|1,0,0]=3 26053 B11R1.59 CCC1CCCN1C(=O)CO 240690a_100000754278_100000210174 [0,1,0,1,0,0|1,0,1]=4 26054 B11R1.59 CCC1CCCN1C(=O)CO 527a_100000754278_100000210174 [0,1,0,1,0,0|1,0,1]=4 26055 B11R1.59 CCC1CCCN1C(C)CO 2230a_100000754278_100012180447 [0,1,0,1,0,0|1,0,0]=3 26056 B11R1.59 CCC1CCCN1C(C)CO 34a_100000754278_100012180447 [0,1,0,1,0,0|1,0,0]=3 26057 B11R1.59 CCC1CCCN1[C@H](C)CO 269982a_100000754278_100016084084 [0,1,0,1,0,0|1,0,0]=3 26058 B11R1.59 COC(C)N1CCC[C@@H]1CO 269982a_100000745186_100009879195 [0,1,0,1,0,0|2,0,0]=4 26059 B11R1.59 C[C@H](CO)N1CCC[C@@H]1CO 269982a_100000745186_100016084084 [0,1,0,1,0,0|2,0,0]=4 26060 B11R1.115 COCC1CCN1C(C)CO 2230a_100015195929_100012180447 [0,1,0,1,0,0|2,0,0]=4 26061 B11R1.115 COCC1CCN1C(C)CO 34a_100015195929_100012180447 [0,1,0,1,0,0|2,0,0]=4 26062 B11R1.115 COCC1CCN1[C@H](C)CO 269982a_100015195929_100016084084 [0,1,0,1,0,0|2,0,0]=4 26063 B11R1.194 CCCN1CCC[C@@]1(C)CO 2230a_100016195882_100000210303 [0,1,0,1,0,0|1,0,0]=3 26064 B11R1.194 CCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000210303 [0,1,0,1,0,0|1,0,0]=3 26065 B11R1.194 CCCN1CCC[C@@]1(C)CO 34a_100016195882_100000210303 [0,1,0,1,0,0|1,0,0]=3 26066 B11R1.194 COCN1CCC[C@@]1(C)CO 2230a_100016195882_100000766300 [0,1,0,1,0,0|2,0,0]=4 26067 B11R1.194 COCN1CCC[C@@]1(C)CO 269982a_100016195882_100000766300 [0,1,0,1,0,0|2,0,0]=4 26068 B11R1.194 CSCN1CCC[C@@]1(C)CO 2230a_100016195882_100011218213 [0,1,0,1,0,0|2,0,0]=4 26069 B11R1.194 CSCN1CCC[C@@]1(C)CO 269982a_100016195882_100011218213 [0,1,0,1,0,0|2,0,0]=4 26070 B11R1.194 CSCN1CCC[C@@]1(C)CO 34a_100016195882_100011218213 [0,1,0,1,0,0|2,0,0]=4 26071 B11R1.194 C[C@]1(CCCN1CCF)CO 2230a_100016195882_100011217306 [0,1,0,1,0,0|2,0,0]=4 26072 B11R1.194 C[C@]1(CCCN1CCF)CO 269982a_100016195882_100011217306 [0,1,0,1,0,0|2,0,0]=4 26073 B11R1.194 C[C@]1(CCCN1CCF)CO 34a_100016195882_100011217306 [0,1,0,1,0,0|2,0,0]=4 26074 B11R1.194 C[C@]1(CCCN1CCO)CO 2230a_100016195882_100000211926 [0,1,0,1,0,0|2,0,0]=4 26075 B11R1.194 C[C@]1(CCCN1CCO)CO 269982a_100016195882_100000211926 [0,1,0,1,0,0|2,0,0]=4 26076 B11R1.194 C[C@]1(CCCN1CCO)CO 34a_100016195882_100000211926 [0,1,0,1,0,0|2,0,0]=4 26077 B11R1.214 CCC1CCC(C1)NCCO 270004a_100000210304_100011218773 [0,1,0,1,0,0|1,0,0]=3 26078 B11R1.214 CCCCN1CCC(C1)CO 2230a_100000748654_100000210211 [0,1,0,1,0,0|1,0,0]=3 26079 B11R1.214 CCCCN1CCC(C1)CO 269982a_100000748654_100000210211 [0,1,0,1,0,0|1,0,0]=3 26080 B11R1.214 CCCCN1CCC(C1)CO 34a_100000748654_100000210210 [0,1,0,1,0,0|1,0,0]=3 26081 B11R1.214 CCCNC1CCC(C1)CC 270004a_100020643023_100011218773 [0,1,0,1,0,0|2,0,0]=4 26082 B11R1.214 CCN1CCC(C1)NCCO 2230a_100015188829_100000211926 [0,1,0,1,0,0|2,0,0]=4 26083 B11R1.214 CCN1CCC(C1)SCCO 62a_100000211926_200011861547 [0,1,0,1,0,0|2,0,0]=4 26084 B11R1.214 CCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000210202 [0,1,0,1,0,0|1,0,0]=3 26085 B11R1.214 CCOCN1CCC(C1)CO 269982a_100000748654_100000739092 [0,1,0,1,0,0|2,0,0]=4 26086 B11R1.214 CCOC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000210202 [0,1,0,1,0,0|2,0,0]=4 26087 B11R1.214 COCCN1CCC(C1)CO 2230a_100000748654_100011201679 [0,1,0,1,0,0|2,0,0]=4 26088 B11R1.214 COCCN1CCC(C1)CO 269982a_100000748654_100000233755 [0,1,0,1,0,0|2,0,0]=4 26089 B11R1.214 COCCN1CCC(C1)CO 34a_100000748654_100011201679 [0,1,0,1,0,0|2,0,0]=4 26090 B11R1.214 CO[C@@H]1CCN(C1)CCCO 2230a_100000766984_100000230001 [0,1,0,1,0,0|2,0,0]=4 26091 B11R1.214 CO[C@@H]1CCN(C1)CCCO 269982a_100000766984_100011215043 [0,1,0,1,0,0|2,0,0]=4 26092 B11R1.214 CSCCN1CCC(C1)CO 2230a_100000748654_100000751147 [0,1,0,1,0,0|2,0,0]=4 26093 B11R1.214 CSCCN1CCC(C1)CO 269982a_100000748654_100000212216 [0,1,0,1,0,0|2,0,0]=4 26094 B11R1.214 CSCCN1CCC(C1)CO 34a_100000748654_100000212216 [0,1,0,1,0,0|2,0,0]=4 26095 B11R1.214 OCC1CCN(C1)CCCF 2230a_100000748654_100011934791 [0,1,0,1,0,0|2,0,0]=4 26096 B11R1.214 OCC1CCN(C1)CCCF 269982a_100000748654_100011934791 [0,1,0,1,0,0|2,0,0]=4 26097 B11R1.214 OCC1CCN(C1)CCCF 34a_100000748654_100011934791 [0,1,0,1,0,0|2,0,0]=4 26098 B11R1.214 OCCCN1CCC(C1)CO 2230a_100000748654_100000230001 [0,1,0,1,0,0|2,0,0]=4 26099 B11R1.214 OCCCN1CCC(C1)CO 269982a_100000748654_100011215043 [0,1,0,1,0,0|2,0,0]=4 26100 B11R1.214 OCCCN1CCC(C1)CO 34a_100000748654_100000230001 [0,1,0,1,0,0|2,0,0]=4 26101 B11R1.214 OC[C@H]1CC[C@H](C1)CNCF 34a_206354213956_100015361967 [0,1,0,1,0,0|2,0,0]=4 26102 B11R1.222 CC(CO)N1CCCCC1C 2230a_100000211376_100012180447 [0,1,0,1,0,0|1,0,0]=3 26103 B11R1.222 CC(CO)N1CCCCC1C 34a_100000211376_100012180447 [0,1,0,1,0,0|1,0,0]=3 26104 B11R1.222 CC(CO)N1CCOC[C@@H]1C 2230a_100009815349_100012180447 [0,1,0,1,0,0|2,0,0]=4 26105 B11R1.222 CC(CO)N1CCOC[C@@H]1C 34a_100009815349_100012180447 [0,1,0,1,0,0|2,0,0]=4 26106 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [0,1,0,1,0,0|1,0,1]=4 26107 B11R1.222 CC1CCCCN1C(=O)CO 240690a_100000211376_100000210174 [0,1,0,1,0,0|1,0,1]=4 26108 B11R1.222 CC1CCCCN1C(=O)CO 527a_100000211376_100000210174 [0,1,0,1,0,0|1,0,1]=4 26109 B11R1.222 CC1CCCCN1[C@H](C)CO 269982a_100000211376_100016084084 [0,1,0,1,0,0|1,0,0]=3 26110 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,1,0,1,0,0|1,0,1]=4 26111 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,1,0,1,0,0|0,0,1]=3 26112 B11R1.222 CCC(C)N1CCCCC1C 2230a_100000211376_100000758301 [0,1,0,1,0,0|2,0,0]=4 26113 B11R1.222 CCC(C)N1CCCCC1C 269982a_100000211376_100000758301 [0,1,0,1,0,0|2,0,0]=4 26114 B11R1.222 CCC(C)N1CCCCC1C 34a_100000211376_100011215416 [0,1,0,1,0,0|2,0,0]=4 26115 B11R1.222 CCN(C)C1CCCCC1F 269982a_100000225621_100015423560 [0,1,0,1,0,0|2,0,0]=4 26116 B11R1.222 CCN(C)C1CCCCC1O 269982a_100000225621_100000038908 [0,1,0,1,0,0|1,0,0]=3 26117 B11R1.222 CCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000204670 [0,1,0,1,0,0|1,0,0]=3 26118 B11R1.222 CN(CF)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100015361967 [0,1,0,1,0,0|2,0,0]=4 26119 B11R1.222 C[C@H](CO)N1CCOC[C@@H]1C 269982a_100009815349_100016084084 [0,1,0,1,0,0|2,0,0]=4 26120 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [0,1,0,1,0,0|1,0,1]=4 26121 B11R1.228 CC(CO)OC1CCCC1C 34a_100011216460_100012180447 [0,1,0,1,0,0|1,0,0]=3 26122 B11R1.228 CC(CO)OC1CCCC1C 7a_100011216460_100012180447 [0,1,0,1,0,0|1,0,0]=3 26123 B11R1.228 CC(CO)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100012180447 [0,1,0,1,0,0|2,0,0]=4 26124 B11R1.228 CC(CO)O[C@H]1CCC[C@@H]1N 34a_100000748460_100012180447 [0,1,0,1,0,0|2,0,0]=4 26125 B11R1.228 CC(CO)O[C@H]1CNC[C@H]1C 34a_200015306588_100012180447 [0,1,0,1,0,0|2,0,0]=4 26126 B11R1.228 CC(CO)S[C@@H]1CCC[C@H]1O 62a_100012180447_200016002552 [0,1,0,1,0,0|2,0,0]=4 26127 B11R1.228 CC1CCCC1N[C@H](C)CF 269862a_100102880703_100000752053 [0,1,0,1,0,0|2,0,0]=4 26128 B11R1.228 CC1CCCC1N[C@H](C)CO 269862a_100000737577_100000752053 [0,1,0,1,0,0|1,0,0]=3 26129 B11R1.228 CC1OCCC1N[C@H](C)CO 270004a_100000737577_100000691750 [0,1,0,1,0,0|2,0,0]=4 26130 B11R1.228 CC1SCCN1CC(O)CO 2230a_200011216479_100011219619 [0,1,0,1,0,0|2,0,0]=4 26131 B11R1.228 CC1SCCN1CC(O)CO 34a_200011216479_100011219619 [0,1,0,1,0,0|2,0,0]=4 26132 B11R1.228 CC1SCCN1C[C@@H](C)CO 2230a_200011216479_100000059175 [0,1,0,1,0,0|2,0,0]=4 26133 B11R1.228 CC1SCCN1C[C@@H](C)CO 269982a_200011216479_100000059175 [0,1,0,1,0,0|2,0,0]=4 26134 B11R1.228 CC1SCCN1C[C@@H](C)CO 34a_200011216479_100000059175 [0,1,0,1,0,0|2,0,0]=4 26135 B11R1.228 CC1SCCN1C[C@@H](O)CO 2230a_200011216479_100009815848 [0,1,0,1,0,0|2,0,0]=4 26136 B11R1.228 CC1SCCN1C[C@@H](O)CO 34a_200011216479_100009815848 [0,1,0,1,0,0|2,0,0]=4 26137 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210414 [0,1,0,1,0,0|1,0,1]=4 26138 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210414 [0,1,0,1,0,0|1,0,1]=4 26139 B11R1.228 CCC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748023 [0,1,0,1,0,0|2,0,0]=4 26140 B11R1.228 CCC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748023 [0,1,0,1,0,0|2,0,0]=4 26141 B11R1.228 CCC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000243153 [0,1,0,1,0,0|2,0,0]=4 26142 B11R1.228 CCC(C)CN1CCC[C@H]1C 2230a_100015189458_100000748023 [0,1,0,1,0,0|2,0,0]=4 26143 B11R1.228 CCC(C)CN1CCC[C@H]1C 269982a_100015189458_100000748023 [0,1,0,1,0,0|2,0,0]=4 26144 B11R1.228 CCC(C)CN1CCC[C@H]1C 270004a_100015189458_100000243153 [0,1,0,1,0,0|2,0,0]=4 26145 B11R1.228 CCC(C)CN1CCC[C@H]1C 34a_100015189458_100000748023 [0,1,0,1,0,0|2,0,0]=4 26146 B11R1.228 CCC(C)NC1CCCC1C 269862a_100000209981_100000752053 [0,1,0,1,0,0|2,0,0]=4 26147 B11R1.228 CCC(C)N[C@H]1COC[C@@H]1O 2230a_100015191717_100000758301 [0,1,0,1,0,0|2,0,0]=4 26148 B11R1.228 CCC(C)OC1CCCC1C 34a_100011216460_100011215416 [0,1,0,1,0,0|2,0,0]=4 26149 B11R1.228 CCC(C)OC1CCCC1C 7a_100011216460_100000758301 [0,1,0,1,0,0|2,0,0]=4 26150 B11R1.228 CCC(C)OC1COCC1O 7a_100000210228_200000725654 [0,1,0,1,0,0|2,0,0]=4 26151 B11R1.228 CCC(C)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011215416 [0,1,0,1,0,0|2,0,0]=4 26152 B11R1.228 CCC(C)O[C@H]1CCC[C@@H]1N 34a_100000748460_100011215416 [0,1,0,1,0,0|2,0,0]=4 26153 B11R1.228 CCC(C)SC1COCC1O 62a_100000758301_200000725654 [0,1,0,1,0,0|2,0,0]=4 26154 B11R1.228 CCC(C)SC1COCC1O 62a_200000725654_100000758301 [0,1,0,1,0,0|2,0,0]=4 26155 B11R1.228 CCC(C)S[C@@H]1CCC[C@H]1O 62a_100000758301_200016002552 [0,1,0,1,0,0|1,0,0]=3 26156 B11R1.228 CCC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100000758301 [0,1,0,1,0,0|1,0,0]=3 26157 B11R1.228 CCC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218378 [0,1,0,1,0,0|2,0,0]=4 26158 B11R1.228 CCC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218378 [0,1,0,1,0,0|2,0,0]=4 26159 B11R1.228 CCC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218378 [0,1,0,1,0,0|2,0,0]=4 26160 B11R1.228 CCC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218378 [0,1,0,1,0,0|2,0,0]=4 26161 B11R1.228 CCC(O)CN1CCC[C@H]1C 34a_100015189458_100011218378 [0,1,0,1,0,0|2,0,0]=4 26162 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 2230a_100020605311_100009816398 [0,1,0,1,0,0|2,0,0]=4 26163 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 269982a_100020605311_100009816398 [0,1,0,1,0,0|2,0,0]=4 26164 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 2230a_100015189458_100009816398 [0,1,0,1,0,0|2,0,0]=4 26165 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 269982a_100015189458_100009816398 [0,1,0,1,0,0|2,0,0]=4 26166 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 34a_100015189458_100009816398 [0,1,0,1,0,0|2,0,0]=4 26167 B11R1.228 COC(C)S[C@@H]1CCC[C@H]1O 62a_100009879195_200016002552 [0,1,0,1,0,0|2,0,0]=4 26168 B11R1.228 COC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100009879195 [0,1,0,1,0,0|2,0,0]=4 26169 B11R1.228 C[C@@H](CO)CN1CCC[C@@H]1C 2230a_100020605311_100000059175 [0,1,0,1,0,0|1,0,0]=3 26170 B11R1.228 C[C@@H](CO)CN1CCC[C@@H]1C 269982a_100020605311_100000059175 [0,1,0,1,0,0|1,0,0]=3 26171 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 2230a_100015189458_100000059175 [0,1,0,1,0,0|1,0,0]=3 26172 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 269982a_100015189458_100000059175 [0,1,0,1,0,0|1,0,0]=3 26173 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 34a_100015189458_100000059175 [0,1,0,1,0,0|1,0,0]=3 26174 B11R1.228 C[C@@H]1CCCN1CC(O)CO 2230a_100015189458_100011219619 [0,1,0,1,0,0|1,0,0]=3 26175 B11R1.228 C[C@@H]1CCCN1CC(O)CO 34a_100015189458_100011219619 [0,1,0,1,0,0|1,0,0]=3 26176 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CF 2230a_100015189458_100015614560 [0,1,0,1,0,0|2,0,0]=4 26177 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CF 34a_100015189458_100015614560 [0,1,0,1,0,0|2,0,0]=4 26178 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO 2230a_100015189458_100009815848 [0,1,0,1,0,0|1,0,0]=3 26179 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO 34a_100015189458_100009815848 [0,1,0,1,0,0|1,0,0]=3 26180 B11R1.228 C[C@H](CO)S[C@@H]1CCC[C@H]1O 62a_100016084084_200016002552 [0,1,0,1,0,0|2,0,0]=4 26181 B11R1.228 C[C@H](CO)S[C@@H]1CCC[C@H]1O 62a_200016002552_100016084084 [0,1,0,1,0,0|2,0,0]=4 26182 B11R1.228 C[C@H]1CCCN1CC(O)CO 2230a_100020605311_100011219619 [0,1,0,1,0,0|1,0,0]=3 26183 B11R1.228 C[C@H]1CCCN1C[C@@H](O)CF 2230a_100020605311_100015614560 [0,1,0,1,0,0|2,0,0]=4 26184 B11R1.228 C[C@H]1CCCN1C[C@@H](O)CO 2230a_100020605311_100009815848 [0,1,0,1,0,0|1,0,0]=3 26185 B11R1.235 CC1CC1COCC(O)CO 34a_100000744939_100011219619 [0,1,0,1,0,0|1,0,0]=3 26186 B11R1.235 CC1CC1COCC(O)CO 7a_100000744939_100011219619 [0,1,0,1,0,0|1,0,0]=3 26187 B11R1.235 CC1CC1COC[C@@H](C)CO 34a_100000744939_100000059175 [0,1,0,1,0,0|1,0,0]=3 26188 B11R1.235 CC1CC1COC[C@@H](C)CO 7a_100000744939_100000059175 [0,1,0,1,0,0|1,0,0]=3 26189 B11R1.235 CC1CC1COC[C@@H](O)CF 34a_100000744939_100015614560 [0,1,0,1,0,0|2,0,0]=4 26190 B11R1.235 CC1CC1COC[C@@H](O)CF 7a_100000744939_100015614560 [0,1,0,1,0,0|2,0,0]=4 26191 B11R1.235 CC1CC1COC[C@@H](O)CO 34a_100000744939_100009815848 [0,1,0,1,0,0|1,0,0]=3 26192 B11R1.235 CC1CC1COC[C@@H](O)CO 7a_100000744939_100009815848 [0,1,0,1,0,0|1,0,0]=3 26193 B11R1.235 CCC(C)COCC1CC1C 34a_100000744939_100000748023 [0,1,0,1,0,0|2,0,0]=4 26194 B11R1.235 CCC(C)COCC1CC1C 7a_100000744939_100000748023 [0,1,0,1,0,0|2,0,0]=4 26195 B11R1.235 CCC(O)COCC1CC1C 34a_100000744939_100011218378 [0,1,0,1,0,0|2,0,0]=4 26196 B11R1.235 CCC(O)COCC1CC1C 7a_100000744939_100011218378 [0,1,0,1,0,0|2,0,0]=4 26197 B11R1.235 CC[C@H](C)COCC1CC1C 34a_100000744939_100009816398 [0,1,0,1,0,0|2,0,0]=4 26198 B11R1.235 CC[C@H](C)COCC1CC1C 7a_100000744939_100009816398 [0,1,0,1,0,0|2,0,0]=4 26199 B11R1.236 CC(CN)COCC1CCC1 34a_100000744482_100000763275 [0,1,0,1,0,0|2,0,0]=4 26200 B11R1.236 CC(CN)COCC1CCO1 34a_100000744482_100000103362 [0,1,0,1,0,0|2,0,0]=4 26201 B11R1.236 CC(CO)CCNC1CCC1 270004a_106354213184_100000241760 [0,1,0,1,0,0|1,0,0]=3 26202 B11R1.236 CC(CO)CCNC1CCC1 34a_106354213184_100000749161 [0,1,0,1,0,0|1,0,0]=3 26203 B11R1.236 CC(CO)CCNC1COC1 34a_106354213184_100009818527 [0,1,0,1,0,0|2,0,0]=4 26204 B11R1.236 CC(CO)CNCC1CCC1 269862a_100000744482_100000753134 [0,1,0,1,0,0|1,0,0]=3 26205 B11R1.236 CC(CO)CNCC1CCC1 34a_100000744482_100000763275 [0,1,0,1,0,0|1,0,0]=3 26206 B11R1.236 CC(CO)CNCC1CCO1 34a_100000744482_100000103362 [0,1,0,1,0,0|2,0,0]=4 26207 B11R1.236 CC(CO)CNCC1COC1 34a_100000744482_100010264016 [0,1,0,1,0,0|2,0,0]=4 26208 B11R1.236 CC(CO)OCCC1COC1 34a_100009855314_100012180447 [0,1,0,1,0,0|2,0,0]=4 26209 B11R1.236 CCC(=O)COCC1CCO1 34a_100000725409_100000103362 [0,1,0,1,0,0|1,0,1]=4 26210 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000103362_100000747405 [0,1,0,1,0,0|1,0,1]=4 26211 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000747405_100000103362 [0,1,0,1,0,0|1,0,1]=4 26212 B11R1.236 CCC(C)CCNC1CCC1 270004a_100020591266_100000241760 [0,1,0,1,0,0|2,0,0]=4 26213 B11R1.236 CCC(C)CNCC1CCC1 2230a_100000738700_100000748023 [0,1,0,1,0,0|2,0,0]=4 26214 B11R1.236 CCC(C)CNCC1CCC1 2230a_100020588543_100000763275 [0,1,0,1,0,0|2,0,0]=4 26215 B11R1.236 CCC(C)CNCC1CCC1 269862a_100020588543_100000753134 [0,1,0,1,0,0|2,0,0]=4 26216 B11R1.236 CCC(C)CNCC1CCC1 270004a_100000738700_100000243153 [0,1,0,1,0,0|2,0,0]=4 26217 B11R1.236 CCC(C)CNCC1CCC1 34a_100000738700_100000748023 [0,1,0,1,0,0|2,0,0]=4 26218 B11R1.236 CCC(C)CNCC1CCO1 2230a_100020588543_100000103362 [0,1,0,1,0,0|1,0,0]=3 26219 B11R1.236 CCC(C)CNC[C@@H]1CCO1 2230a_100020831831_100000748023 [0,1,0,1,0,0|1,0,0]=3 26220 B11R1.236 CCC(C)CNC[C@@H]1CCO1 270004a_100020831831_100000243153 [0,1,0,1,0,0|1,0,0]=3 26221 B11R1.236 CCC(C)CNC[C@@H]1CCO1 34a_100020831831_100000748023 [0,1,0,1,0,0|1,0,0]=3 26222 B11R1.236 CCC(C)COCC1CCC1 34a_100000760304_100000748023 [0,1,0,1,0,0|2,0,0]=4 26223 B11R1.236 CCC(C)COCC1CCO1 34a_100000039022_100000748023 [0,1,0,1,0,0|1,0,0]=3 26224 B11R1.236 CCC(C)CSCC1CCC1 62a_100000748023_100000763275 [0,1,0,1,0,0|2,0,0]=4 26225 B11R1.236 CCC(C)CSCC1CCC1 62a_100000763275_100000748023 [0,1,0,1,0,0|2,0,0]=4 26226 B11R1.236 CCC(C)CSCC1CCO1 62a_100000103362_100000748023 [0,1,0,1,0,0|1,0,0]=3 26227 B11R1.236 CCC(C)CSCC1CCO1 62a_100000748023_100000103362 [0,1,0,1,0,0|1,0,0]=3 26228 B11R1.236 CCC(O)CNCC1CCC1 2230a_100000738700_100011218378 [0,1,0,1,0,0|2,0,0]=4 26229 B11R1.236 CCC(O)CNCC1CCC1 2230a_100011218483_100000763275 [0,1,0,1,0,0|2,0,0]=4 26230 B11R1.236 CCC(O)CNCC1CCC1 269862a_100011218483_100000753134 [0,1,0,1,0,0|2,0,0]=4 26231 B11R1.236 CCC(O)CNCC1CCC1 34a_100000738700_100011218378 [0,1,0,1,0,0|2,0,0]=4 26232 B11R1.236 CCC(O)CNCC1CCO1 2230a_100011218483_100000103362 [0,1,0,1,0,0|1,0,0]=3 26233 B11R1.236 CCC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011218378 [0,1,0,1,0,0|1,0,0]=3 26234 B11R1.236 CCC(O)CNC[C@@H]1CCO1 34a_100020831831_100011218378 [0,1,0,1,0,0|1,0,0]=3 26235 B11R1.236 CCC(O)COCC1CCC1 34a_100000760304_100011218378 [0,1,0,1,0,0|2,0,0]=4 26236 B11R1.236 CCC(O)COCC1CCO1 34a_100000039022_100011218378 [0,1,0,1,0,0|1,0,0]=3 26237 B11R1.236 CCC(O)CSCC1CCC1 62a_100000763275_100011218378 [0,1,0,1,0,0|2,0,0]=4 26238 B11R1.236 CCC(O)CSCC1CCC1 62a_100011218378_100000763275 [0,1,0,1,0,0|2,0,0]=4 26239 B11R1.236 CCC(O)CSCC1CCO1 62a_100000103362_100011218378 [0,1,0,1,0,0|1,0,0]=3 26240 B11R1.236 CCC(O)CSCC1CCO1 62a_100011218378_100000103362 [0,1,0,1,0,0|1,0,0]=3 26241 B11R1.236 CC[C@H](C)CNCC1CCC1 2230a_100000738700_100009816398 [0,1,0,1,0,0|2,0,0]=4 26242 B11R1.236 CC[C@H](C)CNCC1CCC1 34a_100000738700_100009816398 [0,1,0,1,0,0|2,0,0]=4 26243 B11R1.236 CC[C@H](C)CNC[C@@H]1CCO1 2230a_100020831831_100009816398 [0,1,0,1,0,0|1,0,0]=3 26244 B11R1.236 CC[C@H](C)CNC[C@@H]1CCO1 34a_100020831831_100009816398 [0,1,0,1,0,0|1,0,0]=3 26245 B11R1.236 CC[C@H](C)COCC1CCC1 34a_100000760304_100009816398 [0,1,0,1,0,0|2,0,0]=4 26246 B11R1.236 CC[C@H](C)COCC1CCC1 7a_100009816381_100000763275 [0,1,0,1,0,0|2,0,0]=4 26247 B11R1.236 CC[C@H](C)COCC1CCO1 34a_100000039022_100009816398 [0,1,0,1,0,0|1,0,0]=3 26248 B11R1.236 CC[C@H](C)COCC1CCO1 7a_100009816381_100000103362 [0,1,0,1,0,0|1,0,0]=3 26249 B11R1.236 CC[C@H](C)CSCC1CCC1 62a_100000763275_100009816398 [0,1,0,1,0,0|2,0,0]=4 26250 B11R1.236 CC[C@H](C)CSCC1CCC1 62a_100009816398_100000763275 [0,1,0,1,0,0|2,0,0]=4 26251 B11R1.236 CC[C@H](C)CSCC1CCO1 62a_100000103362_100009816398 [0,1,0,1,0,0|1,0,0]=3 26252 B11R1.236 CC[C@H](C)CSCC1CCO1 62a_100009816398_100000103362 [0,1,0,1,0,0|1,0,0]=3 26253 B11R1.236 COC(C)COCC1CCO1 34a_100000690652_100000103362 [0,1,0,1,0,0|2,0,0]=4 26254 B11R1.236 CO[C@H](C)CNCC1CCO1 2230a_100020591295_100000103362 [0,1,0,1,0,0|2,0,0]=4 26255 B11R1.236 C[C@@H](CO)CNCC1CCC1 2230a_100000738700_100000059175 [0,1,0,1,0,0|1,0,0]=3 26256 B11R1.236 C[C@@H](CO)CNCC1CCC1 34a_100000738700_100000059175 [0,1,0,1,0,0|1,0,0]=3 26257 B11R1.236 C[C@@H](CO)CNCC1COC1 2230a_100015281925_100000059175 [0,1,0,1,0,0|2,0,0]=4 26258 B11R1.236 C[C@@H](CO)CNCC1COC1 34a_100015281925_100000059175 [0,1,0,1,0,0|2,0,0]=4 26259 B11R1.236 C[C@@H](CO)CNC[C@@H]1CCO1 2230a_100020831831_100000059175 [0,1,0,1,0,0|2,0,0]=4 26260 B11R1.236 C[C@@H](CO)CNC[C@@H]1CCO1 34a_100020831831_100000059175 [0,1,0,1,0,0|2,0,0]=4 26261 B11R1.236 C[C@@H](CO)COCC1CCC1 34a_100000760304_100000059175 [0,1,0,1,0,0|1,0,0]=3 26262 B11R1.236 C[C@@H](CO)COCC1CCO1 34a_100000039022_100000059175 [0,1,0,1,0,0|2,0,0]=4 26263 B11R1.236 C[C@@H](CO)COCC1CNC1 34a_100016987283_100000059175 [0,1,0,1,0,0|2,0,0]=4 26264 B11R1.236 C[C@@H](CO)COCC1COC1 34a_100000060846_100000059175 [0,1,0,1,0,0|2,0,0]=4 26265 B11R1.236 C[C@@H](CO)CSCC1CCC1 62a_100000059175_100000763275 [0,1,0,1,0,0|1,0,0]=3 26266 B11R1.236 C[C@@H](CO)CSCC1CCC1 62a_100000763275_100000059175 [0,1,0,1,0,0|1,0,0]=3 26267 B11R1.236 C[C@@H](CO)CSCC1CCO1 62a_100000059175_100000103362 [0,1,0,1,0,0|2,0,0]=4 26268 B11R1.236 C[C@@H](CO)CSCC1CCO1 62a_100000103362_100000059175 [0,1,0,1,0,0|2,0,0]=4 26269 B11R1.236 C[C@@H](CO)CSCC1COC1 62a_100000059175_100010264016 [0,1,0,1,0,0|2,0,0]=4 26270 B11R1.236 C[C@@H](CO)CSCC1COC1 62a_100010264016_100000059175 [0,1,0,1,0,0|2,0,0]=4 26271 B11R1.236 ClCC(Cl)COCC1CCC1 34a_100000033668_100000763275 [0,1,0,1,0,0|2,0,0]=4 26272 B11R1.236 ClCC(Cl)COCC1CCO1 34a_100000033668_100000103362 [0,1,0,1,0,0|2,0,0]=4 26273 B11R1.236 NC[C@@H](F)COCC1CCC1 34a_100015665980_100000763275 [0,1,0,1,0,0|2,0,0]=4 26274 B11R1.236 NC[C@@H](F)COCC1CCO1 34a_100015665980_100000103362 [0,1,0,1,0,0|2,0,0]=4 26275 B11R1.236 OCC(O)CNCC1CCC1 2230a_100000738700_100011219619 [0,1,0,1,0,0|1,0,0]=3 26276 B11R1.236 OCC(O)CNCC1CCC1 34a_100000738700_100011219619 [0,1,0,1,0,0|1,0,0]=3 26277 B11R1.236 OCC(O)CNCC1COC1 2230a_100015281925_100011219619 [0,1,0,1,0,0|2,0,0]=4 26278 B11R1.236 OCC(O)CNCC1COC1 34a_100015281925_100011219619 [0,1,0,1,0,0|2,0,0]=4 26279 B11R1.236 OCC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011219619 [0,1,0,1,0,0|2,0,0]=4 26280 B11R1.236 OCC(O)CNC[C@@H]1CCO1 34a_100020831831_100011219619 [0,1,0,1,0,0|2,0,0]=4 26281 B11R1.236 OCC(O)COCC1CCC1 34a_100000760304_100011219619 [0,1,0,1,0,0|1,0,0]=3 26282 B11R1.236 OCC(O)COCC1CCO1 34a_100000039022_100011219619 [0,1,0,1,0,0|2,0,0]=4 26283 B11R1.236 OCC(O)COCC1CNC1 34a_100016987283_100011219619 [0,1,0,1,0,0|2,0,0]=4 26284 B11R1.236 OCC(O)COCC1COC1 34a_100000060846_100011219619 [0,1,0,1,0,0|2,0,0]=4 26285 B11R1.236 OCC(O)CSCC1CCC1 62a_100000763275_100011219619 [0,1,0,1,0,0|1,0,0]=3 26286 B11R1.236 OCC(O)CSCC1CCC1 62a_100011219619_100000763275 [0,1,0,1,0,0|1,0,0]=3 26287 B11R1.236 OCC(O)CSCC1CCO1 62a_100000103362_100011219619 [0,1,0,1,0,0|2,0,0]=4 26288 B11R1.236 OCC(O)CSCC1CCO1 62a_100011219619_100000103362 [0,1,0,1,0,0|2,0,0]=4 26289 B11R1.236 OCC(O)CSCC1COC1 62a_100010264016_100011219619 [0,1,0,1,0,0|2,0,0]=4 26290 B11R1.236 OCC(O)CSCC1COC1 62a_100011219619_100010264016 [0,1,0,1,0,0|2,0,0]=4 26291 B11R1.236 OC[C@@H](O)CNCC1CCC1 2230a_100020644852_100000763275 [0,1,0,1,0,0|1,0,0]=3 26292 B11R1.236 OC[C@@H](O)CNCC1CCC1 269862a_100020644852_100000753134 [0,1,0,1,0,0|1,0,0]=3 26293 B11R1.236 OC[C@@H](O)CNCC1CCO1 2230a_100020644852_100000103362 [0,1,0,1,0,0|2,0,0]=4 26294 B11R1.236 OC[C@@H](O)CNCC1COC1 2230a_100020644852_100010264016 [0,1,0,1,0,0|2,0,0]=4 26295 B11R1.236 OC[C@H](F)CNCC1CCC1 269862a_100015665980_100000753134 [0,1,0,1,0,0|1,0,0]=3 26296 B11R1.236 OC[C@H](F)CNCC1CCC1 34a_100015665980_100000763275 [0,1,0,1,0,0|1,0,0]=3 26297 B11R1.236 OC[C@H](F)CNCC1CCO1 34a_100015665980_100000103362 [0,1,0,1,0,0|2,0,0]=4 26298 B11R1.236 OC[C@H](F)CNCC1COC1 34a_100015665980_100010264016 [0,1,0,1,0,0|2,0,0]=4 26299 B11R1.236 OC[C@H](O)CNCC1CCC1 2230a_100000738700_100009815848 [0,1,0,1,0,0|1,0,0]=3 26300 B11R1.236 OC[C@H](O)CNCC1CCC1 34a_100000738700_100009815848 [0,1,0,1,0,0|1,0,0]=3 26301 B11R1.236 OC[C@H](O)CNCC1COC1 2230a_100015281925_100009815848 [0,1,0,1,0,0|2,0,0]=4 26302 B11R1.236 OC[C@H](O)CNCC1COC1 34a_100015281925_100009815848 [0,1,0,1,0,0|2,0,0]=4 26303 B11R1.236 OC[C@H](O)CNC[C@@H]1CCO1 2230a_100020831831_100009815848 [0,1,0,1,0,0|2,0,0]=4 26304 B11R1.236 OC[C@H](O)CNC[C@@H]1CCO1 34a_100020831831_100009815848 [0,1,0,1,0,0|2,0,0]=4 26305 B11R1.236 OC[C@H](O)COCC1CCC1 34a_100000760304_100009815848 [0,1,0,1,0,0|1,0,0]=3 26306 B11R1.236 OC[C@H](O)COCC1CCO1 34a_100000039022_100009815848 [0,1,0,1,0,0|2,0,0]=4 26307 B11R1.236 OC[C@H](O)COCC1CNC1 34a_100016987283_100009815848 [0,1,0,1,0,0|2,0,0]=4 26308 B11R1.236 OC[C@H](O)COCC1COC1 34a_100000060846_100009815848 [0,1,0,1,0,0|2,0,0]=4 26309 B11R1.236 OC[C@H](O)CSCC1CCC1 62a_100000763275_100009815848 [0,1,0,1,0,0|1,0,0]=3 26310 B11R1.236 OC[C@H](O)CSCC1CCC1 62a_100009815848_100000763275 [0,1,0,1,0,0|1,0,0]=3 26311 B11R1.236 OC[C@H](O)CSCC1CCO1 62a_100000103362_100009815848 [0,1,0,1,0,0|2,0,0]=4 26312 B11R1.236 OC[C@H](O)CSCC1CCO1 62a_100009815848_100000103362 [0,1,0,1,0,0|2,0,0]=4 26313 B11R1.236 OC[C@H](O)CSCC1COC1 62a_100009815848_100010264016 [0,1,0,1,0,0|2,0,0]=4 26314 B11R1.236 OC[C@H](O)CSCC1COC1 62a_100010264016_100009815848 [0,1,0,1,0,0|2,0,0]=4 26315 B11R1.236 O[C@@H](CF)CNCC1CCC1 2230a_100000738700_100015614560 [0,1,0,1,0,0|2,0,0]=4 26316 B11R1.236 O[C@@H](CF)CNCC1CCC1 34a_100000738700_100015614560 [0,1,0,1,0,0|2,0,0]=4 26317 B11R1.236 O[C@@H](CF)CNC[C@@H]1CCO1 2230a_100020831831_100015614560 [0,1,0,1,0,0|2,0,0]=4 26318 B11R1.236 O[C@@H](CF)CNC[C@@H]1CCO1 34a_100020831831_100015614560 [0,1,0,1,0,0|2,0,0]=4 26319 B11R1.236 O[C@@H](CF)COCC1CCC1 34a_100000760304_100015614560 [0,1,0,1,0,0|2,0,0]=4 26320 B11R1.236 O[C@@H](CF)COCC1CCO1 34a_100000039022_100015614560 [0,1,0,1,0,0|2,0,0]=4 26321 B11R1.236 O[C@@H](CF)CSCC1CCC1 62a_100000763275_100015614560 [0,1,0,1,0,0|2,0,0]=4 26322 B11R1.236 O[C@@H](CF)CSCC1CCC1 62a_100015614560_100000763275 [0,1,0,1,0,0|2,0,0]=4 26323 B11R1.236 O[C@@H](CF)CSCC1CCO1 62a_100000103362_100015614560 [0,1,0,1,0,0|2,0,0]=4 26324 B11R1.236 O[C@@H](CF)CSCC1CCO1 62a_100015614560_100000103362 [0,1,0,1,0,0|2,0,0]=4 26325 B11R1.237 CC(CF)OCCCC1CO1 34a_100016041109_100000733510 [0,1,0,1,0,0|2,0,0]=4 26326 B11R1.237 CC(CF)OCCCC1CO1 7a_100016041109_100000733510 [0,1,0,1,0,0|2,0,0]=4 26327 B11R1.237 CC(CN)COCCC1CC1 34a_100000744482_100000694398 [0,1,0,1,0,0|2,0,0]=4 26328 B11R1.237 CC(CN)COCCC1CO1 34a_100000744482_100000732470 [0,1,0,1,0,0|2,0,0]=4 26329 B11R1.237 CC(CN)OCCCC1CO1 34a_100000210904_100000733510 [0,1,0,1,0,0|2,0,0]=4 26330 B11R1.237 CC(CO)CCNCC1CC1 2230a_106354213184_100000742324 [0,1,0,1,0,0|1,0,0]=3 26331 B11R1.237 CC(CO)CCNCC1CC1 269862a_106354213184_100000741477 [0,1,0,1,0,0|1,0,0]=3 26332 B11R1.237 CC(CO)CCNCC1CC1 34a_106354213184_100000742324 [0,1,0,1,0,0|1,0,0]=3 26333 B11R1.237 CC(CO)CCNCC1CO1 2230a_106354213184_100011216344 [0,1,0,1,0,0|2,0,0]=4 26334 B11R1.237 CC(CO)CCNCC1CO1 34a_106354213184_102125554688 [0,1,0,1,0,0|2,0,0]=4 26335 B11R1.237 CC(CO)CNCCC1CC1 34a_100000744482_100000694398 [0,1,0,1,0,0|1,0,0]=3 26336 B11R1.237 CC(CO)CNCCC1CO1 34a_100000744482_100000732470 [0,1,0,1,0,0|2,0,0]=4 26337 B11R1.237 CC(CO)OCCNC1CC1 34a_100000738766_100012180447 [0,1,0,1,0,0|2,0,0]=4 26338 B11R1.237 CC(CO)SCCCC1CO1 62a_100012180447_100000733510 [0,1,0,1,0,0|2,0,0]=4 26339 B11R1.237 CCC(=O)COCCC1CO1 34a_100000725409_100000732470 [0,1,0,1,0,0|1,0,1]=4 26340 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000732470_100000747405 [0,1,0,1,0,0|1,0,1]=4 26341 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000747405_100000732470 [0,1,0,1,0,0|1,0,1]=4 26342 B11R1.237 CCC(C)CCNCC1CC1 2230a_100020591266_100000742324 [0,1,0,1,0,0|2,0,0]=4 26343 B11R1.237 CCC(C)CCNCC1CC1 269862a_100020591266_100000741477 [0,1,0,1,0,0|2,0,0]=4 26344 B11R1.237 CCC(C)CCNCC1CO1 2230a_100020591266_100011216344 [0,1,0,1,0,0|1,0,0]=3 26345 B11R1.237 CCC(C)CCOCC1CC1 7a_100011215188_100000742324 [0,1,0,1,0,0|2,0,0]=4 26346 B11R1.237 CCC(C)CCOCC1CO1 7a_100011215188_102125554688 [0,1,0,1,0,0|1,0,0]=3 26347 B11R1.237 CCC(C)CCOCC1CS1 7a_100011215188_100000031435 [0,1,0,1,0,0|1,1,0]=4 26348 B11R1.237 CCC(C)CCOC[C@@H]1CO1 7a_100011215188_100000745022 [0,1,0,1,0,0|1,0,0]=3 26349 B11R1.237 CCC(C)CNCCC1CC1 2230a_100020588543_100000694398 [0,1,0,1,0,0|2,0,0]=4 26350 B11R1.237 CCC(C)CNCCC1CC1 270004a_100000764129_100000243153 [0,1,0,1,0,0|2,0,0]=4 26351 B11R1.237 CCC(C)CNCCC1CC1 34a_100000764129_100000748023 [0,1,0,1,0,0|2,0,0]=4 26352 B11R1.237 CCC(C)CNCCC1CO1 2230a_100020588543_100000732470 [0,1,0,1,0,0|1,0,0]=3 26353 B11R1.237 CCC(C)COCCC1CC1 34a_100000754188_100000748023 [0,1,0,1,0,0|2,0,0]=4 26354 B11R1.237 CCC(C)COCCC1CC1 7a_100000754188_100000748023 [0,1,0,1,0,0|2,0,0]=4 26355 B11R1.237 CCC(C)COCC[C@@H]1CO1 34a_100009820653_100000748023 [0,1,0,1,0,0|1,0,0]=3 26356 B11R1.237 CCC(C)CSCCC1CC1 62a_100000748023_100000764125 [0,1,0,1,0,0|2,0,0]=4 26357 B11R1.237 CCC(C)CSCCC1CC1 62a_100000764125_100000748023 [0,1,0,1,0,0|2,0,0]=4 26358 B11R1.237 CCC(C)CSCCC1CO1 62a_100000732470_100000748023 [0,1,0,1,0,0|1,0,0]=3 26359 B11R1.237 CCC(C)CSCCC1CO1 62a_100000748023_100000732470 [0,1,0,1,0,0|1,0,0]=3 26360 B11R1.237 CCC(C)NCCCC1CO1 2230a_100000209981_100000733510 [0,1,0,1,0,0|1,0,0]=3 26361 B11R1.237 CCC(C)OCCCC1CO1 7a_100000210228_100000733510 [0,1,0,1,0,0|1,0,0]=3 26362 B11R1.237 CCC(C)SCCCC1CO1 62a_100000733510_100000758301 [0,1,0,1,0,0|1,0,0]=3 26363 B11R1.237 CCC(C)SCCCC1CO1 62a_100000758301_100000733510 [0,1,0,1,0,0|1,0,0]=3 26364 B11R1.237 CCC(O)CNCCC1CC1 2230a_100011218483_100000694398 [0,1,0,1,0,0|2,0,0]=4 26365 B11R1.237 CCC(O)CNCCC1CC1 34a_100000764129_100011218378 [0,1,0,1,0,0|2,0,0]=4 26366 B11R1.237 CCC(O)CNCCC1CO1 2230a_100011218483_100000732470 [0,1,0,1,0,0|1,0,0]=3 26367 B11R1.237 CCC(O)COCCC1CC1 34a_100000754188_100011218378 [0,1,0,1,0,0|2,0,0]=4 26368 B11R1.237 CCC(O)COCCC1CC1 7a_100000754188_100011218378 [0,1,0,1,0,0|2,0,0]=4 26369 B11R1.237 CCC(O)COCC[C@@H]1CO1 34a_100009820653_100011218378 [0,1,0,1,0,0|1,0,0]=3 26370 B11R1.237 CCC(O)CSCCC1CC1 62a_100000764125_100011218378 [0,1,0,1,0,0|2,0,0]=4 26371 B11R1.237 CCC(O)CSCCC1CC1 62a_100011218378_100000764125 [0,1,0,1,0,0|2,0,0]=4 26372 B11R1.237 CCC(O)CSCCC1CO1 62a_100000732470_100011218378 [0,1,0,1,0,0|1,0,0]=3 26373 B11R1.237 CCC(O)CSCCC1CO1 62a_100011218378_100000732470 [0,1,0,1,0,0|1,0,0]=3 26374 B11R1.237 CC[C@H](C)CNCCC1CC1 34a_100000764129_100009816398 [0,1,0,1,0,0|2,0,0]=4 26375 B11R1.237 CC[C@H](C)COCCC1CC1 34a_100000754188_100009816398 [0,1,0,1,0,0|2,0,0]=4 26376 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100000754188_100009816398 [0,1,0,1,0,0|2,0,0]=4 26377 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100009816381_100000764125 [0,1,0,1,0,0|2,0,0]=4 26378 B11R1.237 CC[C@H](C)COCCC1CO1 7a_100009816381_100000732470 [0,1,0,1,0,0|1,0,0]=3 26379 B11R1.237 CC[C@H](C)COCC[C@@H]1CO1 34a_100009820653_100009816398 [0,1,0,1,0,0|1,0,0]=3 26380 B11R1.237 CC[C@H](C)CSCCC1CC1 62a_100000764125_100009816398 [0,1,0,1,0,0|2,0,0]=4 26381 B11R1.237 CC[C@H](C)CSCCC1CC1 62a_100009816398_100000764125 [0,1,0,1,0,0|2,0,0]=4 26382 B11R1.237 CC[C@H](C)CSCCC1CO1 62a_100000732470_100009816398 [0,1,0,1,0,0|1,0,0]=3 26383 B11R1.237 CC[C@H](C)CSCCC1CO1 62a_100009816398_100000732470 [0,1,0,1,0,0|1,0,0]=3 26384 B11R1.237 COC(C)CCOCC1CO1 7a_100000764861_102125554688 [0,1,0,1,0,0|2,0,0]=4 26385 B11R1.237 COC(C)CCOC[C@@H]1CO1 7a_100000764861_100000745022 [0,1,0,1,0,0|2,0,0]=4 26386 B11R1.237 COC(C)COCCC1CO1 34a_100000690652_100000732470 [0,1,0,1,0,0|2,0,0]=4 26387 B11R1.237 COC(C)SCCCC1CO1 62a_100000733510_100009879195 [0,1,0,1,0,0|2,0,0]=4 26388 B11R1.237 COC(C)SCCCC1CO1 62a_100009879195_100000733510 [0,1,0,1,0,0|2,0,0]=4 26389 B11R1.237 CO[C@H](C)CNCCC1CO1 2230a_100020591295_100000732470 [0,1,0,1,0,0|2,0,0]=4 26390 B11R1.237 C[C@@H](CN)CCCOC1CC1 34a_100160569302_100000211595 [0,1,0,1,0,0|2,0,0]=4 26391 B11R1.237 C[C@@H](CO)CNCCC1CC1 34a_100000764129_100000059175 [0,1,0,1,0,0|1,0,0]=3 26392 B11R1.237 C[C@@H](CO)COCCC1CC1 34a_100000754188_100000059175 [0,1,0,1,0,0|1,0,0]=3 26393 B11R1.237 C[C@@H](CO)COCCC1CC1 7a_100000754188_100000059175 [0,1,0,1,0,0|1,0,0]=3 26394 B11R1.237 C[C@@H](CO)COCC[C@@H]1CO1 34a_100009820653_100000059175 [0,1,0,1,0,0|2,0,0]=4 26395 B11R1.237 C[C@@H](CO)CSCCC1CC1 62a_100000059175_100000764125 [0,1,0,1,0,0|1,0,0]=3 26396 B11R1.237 C[C@@H](CO)CSCCC1CC1 62a_100000764125_100000059175 [0,1,0,1,0,0|1,0,0]=3 26397 B11R1.237 C[C@@H](CO)CSCCC1CO1 62a_100000059175_100000732470 [0,1,0,1,0,0|2,0,0]=4 26398 B11R1.237 C[C@@H](CO)CSCCC1CO1 62a_100000732470_100000059175 [0,1,0,1,0,0|2,0,0]=4 26399 B11R1.237 C[C@H](CO)NCCCC1CO1 2230a_100000737577_100000733510 [0,1,0,1,0,0|2,0,0]=4 26400 B11R1.237 C[C@H](CO)SCCCC1CO1 62a_100000733510_100016084084 [0,1,0,1,0,0|2,0,0]=4 26401 B11R1.237 C[C@H](CO)SCCCC1CO1 62a_100016084084_100000733510 [0,1,0,1,0,0|2,0,0]=4 26402 B11R1.237 ClCC(Cl)COCCC1CC1 34a_100000033668_100000694398 [0,1,0,1,0,0|2,0,0]=4 26403 B11R1.237 ClCC(Cl)COCCC1CO1 34a_100000033668_100000732470 [0,1,0,1,0,0|2,0,0]=4 26404 B11R1.237 NC[C@@H](F)COCCC1CC1 34a_100015665980_100000694398 [0,1,0,1,0,0|2,0,0]=4 26405 B11R1.237 NC[C@@H](F)COCCC1CO1 34a_100015665980_100000732470 [0,1,0,1,0,0|2,0,0]=4 26406 B11R1.237 OCC(O)CNCCC1CC1 34a_100000764129_100011219619 [0,1,0,1,0,0|1,0,0]=3 26407 B11R1.237 OCC(O)COCCC1CC1 34a_100000754188_100011219619 [0,1,0,1,0,0|1,0,0]=3 26408 B11R1.237 OCC(O)COCCC1CC1 7a_100000754188_100011219619 [0,1,0,1,0,0|1,0,0]=3 26409 B11R1.237 OCC(O)COCC[C@@H]1CO1 34a_100009820653_100011219619 [0,1,0,1,0,0|2,0,0]=4 26410 B11R1.237 OCC(O)CSCCC1CC1 62a_100000764125_100011219619 [0,1,0,1,0,0|1,0,0]=3 26411 B11R1.237 OCC(O)CSCCC1CC1 62a_100011219619_100000764125 [0,1,0,1,0,0|1,0,0]=3 26412 B11R1.237 OCC(O)CSCCC1CO1 62a_100000732470_100011219619 [0,1,0,1,0,0|2,0,0]=4 26413 B11R1.237 OCC(O)CSCCC1CO1 62a_100011219619_100000732470 [0,1,0,1,0,0|2,0,0]=4 26414 B11R1.237 OC[C@@H](O)CNCCC1CC1 2230a_100020644852_100000694398 [0,1,0,1,0,0|1,0,0]=3 26415 B11R1.237 OC[C@@H](O)CNCCC1CO1 2230a_100020644852_100000732470 [0,1,0,1,0,0|2,0,0]=4 26416 B11R1.237 OC[C@H](F)CNCCC1CC1 34a_100015665980_100000694398 [0,1,0,1,0,0|1,0,0]=3 26417 B11R1.237 OC[C@H](F)CNCCC1CO1 34a_100015665980_100000732470 [0,1,0,1,0,0|2,0,0]=4 26418 B11R1.237 OC[C@H](O)CNCCC1CC1 34a_100000764129_100009815848 [0,1,0,1,0,0|1,0,0]=3 26419 B11R1.237 OC[C@H](O)COCCC1CC1 34a_100000754188_100009815848 [0,1,0,1,0,0|1,0,0]=3 26420 B11R1.237 OC[C@H](O)COCCC1CC1 7a_100000754188_100009815848 [0,1,0,1,0,0|1,0,0]=3 26421 B11R1.237 OC[C@H](O)COCC[C@@H]1CO1 34a_100009820653_100009815848 [0,1,0,1,0,0|2,0,0]=4 26422 B11R1.237 OC[C@H](O)CSCCC1CC1 62a_100000764125_100009815848 [0,1,0,1,0,0|1,0,0]=3 26423 B11R1.237 OC[C@H](O)CSCCC1CC1 62a_100009815848_100000764125 [0,1,0,1,0,0|1,0,0]=3 26424 B11R1.237 OC[C@H](O)CSCCC1CO1 62a_100000732470_100009815848 [0,1,0,1,0,0|2,0,0]=4 26425 B11R1.237 OC[C@H](O)CSCCC1CO1 62a_100009815848_100000732470 [0,1,0,1,0,0|2,0,0]=4 26426 B11R1.237 O[C@@H](CF)CNCCC1CC1 34a_100000764129_100015614560 [0,1,0,1,0,0|2,0,0]=4 26427 B11R1.237 O[C@@H](CF)COCCC1CC1 34a_100000754188_100015614560 [0,1,0,1,0,0|2,0,0]=4 26428 B11R1.237 O[C@@H](CF)COCCC1CC1 7a_100000754188_100015614560 [0,1,0,1,0,0|2,0,0]=4 26429 B11R1.237 O[C@@H](CF)COCC[C@@H]1CO1 34a_100009820653_100015614560 [0,1,0,1,0,0|2,0,0]=4 26430 B11R1.237 O[C@@H](CF)CSCCC1CC1 62a_100000764125_100015614560 [0,1,0,1,0,0|2,0,0]=4 26431 B11R1.237 O[C@@H](CF)CSCCC1CC1 62a_100015614560_100000764125 [0,1,0,1,0,0|2,0,0]=4 26432 B11R1.237 O[C@@H](CF)CSCCC1CO1 62a_100000732470_100015614560 [0,1,0,1,0,0|2,0,0]=4 26433 B11R1.237 O[C@@H](CF)CSCCC1CO1 62a_100015614560_100000732470 [0,1,0,1,0,0|2,0,0]=4 26434 B11R1.320 CC1(CC1)CNCCCCF 2230a_100000766693_100000729493 [0,1,0,1,0,0|2,0,0]=4 26435 B11R1.320 CC1(CC1)CNCCCCO 2230a_100000766693_100000210776 [0,1,0,1,0,0|1,0,0]=3 26436 B11R1.320 CC1(CC1)COCCCCF 7a_100000698024_100000729493 [0,1,0,1,0,0|2,0,0]=4 26437 B11R1.320 CC1(CC1)COCCCCO 7a_100000698024_100000210776 [0,1,0,1,0,0|1,0,0]=3 26438 B11R1.320 CC1(CC1)NCCCCCF 2230a_100000757604_100000729378 [0,1,0,1,0,0|2,0,0]=4 26439 B11R1.320 CC1(CC1)NCCCCCO 2230a_100000757604_100000746330 [0,1,0,1,0,0|1,0,0]=3 26440 B11R1.320 CC1(CC1)NCCOCCO 2230a_100000757604_100011215305 [0,1,0,1,0,0|2,0,0]=4 26441 B11R1.320 CC1(CC1)OCCCCCF 7a_100011725673_100000729378 [0,1,0,1,0,0|2,0,0]=4 26442 B11R1.320 CC1(CC1)OCCCCCO 7a_100011725673_100000746330 [0,1,0,1,0,0|1,0,0]=3 26443 B11R1.320 CC1(CC1)OCCOCCO 7a_100011725673_100011215305 [0,1,0,1,0,0|2,0,0]=4 26444 B11R1.320 CC1(CO1)CNCCCCO 34a_100000750430_100000760498 [0,1,0,1,0,0|2,0,0]=4 26445 B11R1.320 CC1(CO1)COCCCCBr 34a_100011216708_100000760498 [0,1,0,1,0,0|2,0,0]=4 26446 B11R1.320 CC1(CO1)COCCCCCl 34a_100000210776_100000760498 [0,1,0,1,0,0|2,0,0]=4 26447 B11R1.320 CC1(CO1)COCCCCF 34a_100011995726_100000760498 [0,1,0,1,0,0|2,0,0]=4 26448 B11R1.320 CC1(CO1)COCCCCI 34a_200012148704_100000760498 [0,1,0,1,0,0|2,0,0]=4 26449 B11R1.320 CC1(CO1)COCCCCN 34a_100000750430_100000760498 [0,1,0,1,0,0|2,0,0]=4 26450 B11R1.320 CC1(CO1)CSCCCCF 62a_100000729493_100000760498 [0,1,0,1,0,0|2,0,0]=4 26451 B11R1.320 CC1(CO1)CSCCCCF 62a_100000760498_100000729493 [0,1,0,1,0,0|2,0,0]=4 26452 B11R1.320 CC1(CO1)CSCCCCO 62a_100000210776_100000760498 [0,1,0,1,0,0|2,0,0]=4 26453 B11R1.320 CC1(CO1)CSCCCCO 62a_100000760498_100000210776 [0,1,0,1,0,0|2,0,0]=4 26454 B11R1.320 CCCCCCNC1(CC1)C 2230a_100000757604_100000210314 [0,1,0,1,0,0|2,0,0]=4 26455 B11R1.320 CCCCCCOC1(CC1)C 7a_100011725673_100000210314 [0,1,0,1,0,0|2,0,0]=4 26456 B11R1.320 CCCCCNCC1(CC1)C 2230a_100000766693_100000210326 [0,1,0,1,0,0|2,0,0]=4 26457 B11R1.320 CCCCCNCC1(CC1)O 2230a_100011936951_100000210326 [0,1,0,1,0,0|2,0,0]=4 26458 B11R1.320 CCCCCOCC1(CC1)C 7a_100000698024_100000210326 [0,1,0,1,0,0|2,0,0]=4 26459 B11R1.320 CCCCCOCC1(CC1)F 34a_200000703853_100000718602 [0,1,0,1,0,0|2,0,0]=4 26460 B11R1.320 CCCCCOCC1(CC1)F 7a_200000703853_100000210326 [0,1,0,1,0,0|2,0,0]=4 26461 B11R1.320 CCCCCOCC1(CO1)C 34a_100000210253_100000760498 [0,1,0,1,0,0|1,0,0]=3 26462 B11R1.320 CCCCCSCC1(CO1)C 62a_100000210326_100000760498 [0,1,0,1,0,0|1,0,0]=3 26463 B11R1.320 CCCCCSCC1(CO1)C 62a_100000760498_100000210326 [0,1,0,1,0,0|1,0,0]=3 26464 B11R1.320 CCOCCNCC1(CO1)C 34a_102516460346_100000760498 [0,1,0,1,0,0|2,0,0]=4 26465 B11R1.320 CCOCCOCC1(CO1)C 34a_100000210136_100000760498 [0,1,0,1,0,0|2,0,0]=4 26466 B11R1.320 CCOCCSCC1(CO1)C 62a_100000210147_100000760498 [0,1,0,1,0,0|2,0,0]=4 26467 B11R1.320 CCOCCSCC1(CO1)C 62a_100000760498_100011215890 [0,1,0,1,0,0|2,0,0]=4 26468 B11R1.320 CCSCCOCC1(CO1)C 34a_100000212035_100000760498 [0,1,0,1,0,0|2,0,0]=4 26469 B11R1.320 CCSCCSCC1(CO1)C 62a_100000757381_100000760498 [0,1,0,1,0,0|2,0,0]=4 26470 B11R1.320 CCSCCSCC1(CO1)C 62a_100000760498_100000757381 [0,1,0,1,0,0|2,0,0]=4 26471 B11R1.320 CNCCCOCC1(CO1)C 34a_100000213112_100000760498 [0,1,0,1,0,0|2,0,0]=4 26472 B11R1.320 COCCCNCC1(CO1)C 34a_100150723488_100000760498 [0,1,0,1,0,0|2,0,0]=4 26473 B11R1.320 COCCCOCC1(CO1)C 34a_100000740835_100000760498 [0,1,0,1,0,0|2,0,0]=4 26474 B11R1.320 COCCCSCC1(CO1)C 62a_100000709357_100000760498 [0,1,0,1,0,0|2,0,0]=4 26475 B11R1.320 COCCCSCC1(CO1)C 62a_100000760498_100000709357 [0,1,0,1,0,0|2,0,0]=4 26476 B11R1.320 CSCCCOCC1(CO1)C 34a_100000690336_100000760498 [0,1,0,1,0,0|2,0,0]=4 26477 B11R1.320 FCCCCOCC1(CC1)F 34a_200000703853_100000729493 [0,1,0,1,0,0|2,0,0]=4 26478 B11R1.320 FCCCCOCC1(CC1)F 7a_200000703853_100000729493 [0,1,0,1,0,0|2,0,0]=4 26479 B11R1.320 OC1(CC1)CNCCCCF 2230a_100011936951_100000729493 [0,1,0,1,0,0|2,0,0]=4 26480 B11R1.320 OCCCCNCC1(CC1)O 2230a_100011936951_100000210776 [0,1,0,1,0,0|1,0,0]=3 26481 B11R1.320 OCCCCOCC1(CC1)F 34a_200000703853_100011216708 [0,1,0,1,0,0|1,0,0]=3 26482 B11R1.320 OCCCCOCC1(CC1)F 7a_200000703853_100000210776 [0,1,0,1,0,0|1,0,0]=3 26483 B11R1.383 CCN1CCOCC(C1)CO 2230a_100103147999_100000210202 [0,1,0,1,0,0|2,0,0]=4 26484 B11R1.383 CCN1CCOCC(C1)CO 269982a_100103147999_100000204670 [0,1,0,1,0,0|2,0,0]=4 26485 B11R1.383 CCN1CCOCC(C1)CO 34a_100103147999_100000210202 [0,1,0,1,0,0|2,0,0]=4 26486 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210326 [0,1,0,1,0,0|2,0,0]=4 26487 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210215 [0,1,0,1,0,0|2,0,0]=4 26488 B11R1.757 C[C@H]1[C@H](CN1CCCCF)O 2230a_206633788156_100000729493 [0,1,0,1,0,0|2,0,0]=4 26489 B11R1.757 C[C@H]1[C@H](CN1CCCCF)O 269982a_206633788156_100000729493 [0,1,0,1,0,0|2,0,0]=4 26490 B11R1.757 C[C@H]1[C@H](CN1CCCCO)O 2230a_206633788156_100000210776 [0,1,0,1,0,0|1,0,0]=3 26491 B11R1.757 C[C@H]1[C@H](CN1CCCCO)O 269982a_206633788156_100000210776 [0,1,0,1,0,0|1,0,0]=3 26492 B11R1.759 CCC1CN(C1)CCCCF 2230a_100015205115_100000729493 [0,1,0,1,0,0|2,0,0]=4 26493 B11R1.759 CCC1CN(C1)CCCCF 269982a_100015205115_100000729493 [0,1,0,1,0,0|2,0,0]=4 26494 B11R1.759 CCC1CN(C1)CCCCO 2230a_100015205115_100000210776 [0,1,0,1,0,0|1,0,0]=3 26495 B11R1.759 CCC1CN(C1)CCCCO 269982a_100015205115_100000210776 [0,1,0,1,0,0|1,0,0]=3 26496 B11R1.759 CCCCCN1CC(C1)CC 2230a_100015205115_100000210326 [0,1,0,1,0,0|2,0,0]=4 26497 B11R1.759 CCCCCN1CC(C1)CC 269982a_100015205115_100000210215 [0,1,0,1,0,0|2,0,0]=4 26498 B11R1.759 CCCCCN1CC(C1)CF 269982a_100010363649_100000210215 [0,1,0,1,0,0|2,0,0]=4 26499 B11R1.759 CCCCCN1CC(C1)CF 34a_100010363649_100000718602 [0,1,0,1,0,0|2,0,0]=4 26500 B11R1.759 CCCCCN1CC(C1)CO 269982a_100016987283_100000210215 [0,1,0,1,0,0|1,0,0]=3 26501 B11R1.759 CCCCCN1CC(C1)CO 34a_100016987283_100000718602 [0,1,0,1,0,0|1,0,0]=3 26502 B11R1.759 CCCCNC1CC(C1)CO 270004a_100000102301_100000101936 [0,1,0,1,0,0|1,0,0]=3 26503 B11R1.759 CCCCSC1CC(C1)CO 62a_100000210211_100009874164 [0,1,0,1,0,0|1,0,0]=3 26504 B11R1.759 CCCCSC1CC(C1)CO 62a_100009874164_100000210210 [0,1,0,1,0,0|1,0,0]=3 26505 B11R1.759 CCN1CC(C1)NCCCO 2230a_200015199589_100000230001 [0,1,0,1,0,0|2,0,0]=4 26506 B11R1.759 CCOCCN1CC(C1)CO 269982a_100016987283_100011215890 [0,1,0,1,0,0|2,0,0]=4 26507 B11R1.759 CCOCCN1CC(C1)CO 34a_100016987283_100000210147 [0,1,0,1,0,0|2,0,0]=4 26508 B11R1.759 CCOCSC1CC(C1)CO 62a_100000739092_100009874164 [0,1,0,1,0,0|2,0,0]=4 26509 B11R1.759 CCOCSC1CC(C1)CO 62a_100009874164_100000739092 [0,1,0,1,0,0|2,0,0]=4 26510 B11R1.759 CCSCCN1CC(C1)CO 269982a_100016987283_100000757381 [0,1,0,1,0,0|2,0,0]=4 26511 B11R1.759 CCSCCN1CC(C1)CO 34a_100016987283_100000757381 [0,1,0,1,0,0|2,0,0]=4 26512 B11R1.759 COC1CN(C1)CCCCO 269982a_100000755009_100000210776 [0,1,0,1,0,0|2,0,0]=4 26513 B11R1.759 COCCCN1CC(C1)CO 269982a_100016987283_100000740836 [0,1,0,1,0,0|2,0,0]=4 26514 B11R1.759 COCCCN1CC(C1)CO 34a_100016987283_100000740836 [0,1,0,1,0,0|2,0,0]=4 26515 B11R1.759 COCCNC1CC(C1)CO 270004a_100000209980_100000101936 [0,1,0,1,0,0|2,0,0]=4 26516 B11R1.759 COCCSC1CC(C1)CO 62a_100000233755_100009874164 [0,1,0,1,0,0|2,0,0]=4 26517 B11R1.759 COCCSC1CC(C1)CO 62a_100009874164_100000233755 [0,1,0,1,0,0|2,0,0]=4 26518 B11R1.759 CO[C@H]1C[C@@H](C1)NCCCO 2230a_100121570643_100000230001 [0,1,0,1,0,0|2,0,0]=4 26519 B11R1.759 CSC1CN(C1)CCCCO 269982a_100016990038_100000210776 [0,1,0,1,0,0|2,0,0]=4 26520 B11R1.759 CSCCNC1CC(C1)CO 270004a_100020590264_100000101936 [0,1,0,1,0,0|2,0,0]=4 26521 B11R1.759 CSCCSC1CC(C1)CO 62a_100000212216_100009874164 [0,1,0,1,0,0|2,0,0]=4 26522 B11R1.759 CSCCSC1CC(C1)CO 62a_100009874164_100000751147 [0,1,0,1,0,0|2,0,0]=4 26523 B11R1.759 OCC1CC(C1)NCCCF 270004a_100015189416_100000101936 [0,1,0,1,0,0|2,0,0]=4 26524 B11R1.759 OCC1CC(C1)SCCCF 62a_100009874164_100011934791 [0,1,0,1,0,0|2,0,0]=4 26525 B11R1.759 OCC1CC(C1)SCCCF 62a_100011934791_100009874164 [0,1,0,1,0,0|2,0,0]=4 26526 B11R1.759 OCC1CN(C1)CCCCF 269982a_100016987283_100000729493 [0,1,0,1,0,0|2,0,0]=4 26527 B11R1.759 OCC1CN(C1)CCCCF 34a_100016987283_100000729493 [0,1,0,1,0,0|2,0,0]=4 26528 B11R1.759 OCCCCN1CC(C1)CF 269982a_100010363649_100000210776 [0,1,0,1,0,0|2,0,0]=4 26529 B11R1.759 OCCCCN1CC(C1)CF 34a_100010363649_100011216708 [0,1,0,1,0,0|2,0,0]=4 26530 B11R1.759 OCCCCN1CC(C1)CO 269982a_100016987283_100000210776 [0,1,0,1,0,0|2,0,0]=4 26531 B11R1.759 OCCCCN1CC(C1)CO 34a_100016987283_100011216708 [0,1,0,1,0,0|2,0,0]=4 26532 B11R1.759 OCCCNC1CC(C1)CO 270004a_100000182051_100000101936 [0,1,0,1,0,0|2,0,0]=4 26533 B11R1.759 OCCCSC1CC(C1)CO 62a_100009874164_100011215043 [0,1,0,1,0,0|2,0,0]=4 26534 B11R1.759 OCCCSC1CC(C1)CO 62a_100011215043_100009874164 [0,1,0,1,0,0|2,0,0]=4 26535 B11R1.852 CC(CO)N1CCCCCC1 2230a_100000185865_100012180447 [0,1,0,1,0,0|1,0,0]=3 26536 B11R1.852 CC(CO)N1CCCCCC1 34a_100000185865_100012180447 [0,1,0,1,0,0|1,0,0]=3 26537 B11R1.852 CC(CO)N1CCCOCC1 2230a_100000685342_100012180447 [0,1,0,1,0,0|2,0,0]=4 26538 B11R1.852 CC(CO)N1CCCOCC1 34a_100000685342_100012180447 [0,1,0,1,0,0|2,0,0]=4 26539 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,1,0,1,0,0|1,0,1]=4 26540 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,1,0,1,0,0|1,0,1]=4 26541 B11R1.852 CCC(C)N1CCCCCC1 2230a_100000185865_100000758301 [0,1,0,1,0,0|2,0,0]=4 26542 B11R1.852 CCC(C)N1CCCCCC1 269982a_100000185865_100000758301 [0,1,0,1,0,0|2,0,0]=4 26543 B11R1.852 CCC(C)N1CCCCCC1 34a_100000185865_100011215416 [0,1,0,1,0,0|2,0,0]=4 26544 B11R1.852 CCN(C)C1CCCCCC1 2230a_100015185097_100000210202 [0,1,0,1,0,0|2,0,0]=4 26545 B11R1.852 CCN(C)C1CCCCCC1 2230a_114901603759_200000210301 [0,1,0,1,0,0|2,0,0]=4 26546 B11R1.852 CCN(C)C1CCCCCC1 269982a_100000225621_100011217769 [0,1,0,1,0,0|2,0,0]=4 26547 B11R1.852 CCN(C)C1CCCCCC1 269982a_100015185097_100000204670 [0,1,0,1,0,0|2,0,0]=4 26548 B11R1.852 CCN(C)C1CCCCCC1 269982a_114901603759_200000210301 [0,1,0,1,0,0|2,0,0]=4 26549 B11R1.852 CCN(C)C1CCCCCC1 34a_100015185097_100000210202 [0,1,0,1,0,0|2,0,0]=4 26550 B11R1.852 CCN(C)C1CCCCCC1 34a_114901603759_200000210301 [0,1,0,1,0,0|2,0,0]=4 26551 B11R1.852 CCN([13CH3])C1CCCCCC1 2230a_114901603759_200025704644 [0,1,0,1,0,0|2,0,0]=4 26552 B11R1.852 CCN([13CH3])C1CCCCCC1 269982a_114901603759_200025704644 [0,1,0,1,0,0|2,0,0]=4 26553 B11R1.852 CCN([13CH3])C1CCCCCC1 34a_114901603759_200025704644 [0,1,0,1,0,0|2,0,0]=4 26554 B11R1.852 CN(CF)C1CCCCCC1 269982a_100015185097_100015361967 [0,1,0,1,0,0|2,0,0]=4 26555 B11R1.852 CN(CF)C1CCCCCC1 34a_100015185097_100015361967 [0,1,0,1,0,0|2,0,0]=4 26556 B11R1.852 C[C@H](CO)N1CCCCCC1 269982a_100000185865_100016084084 [0,1,0,1,0,0|1,0,0]=3 26557 B11R1.852 C[C@H](CO)N1CCCOCC1 269982a_100000685342_100016084084 [0,1,0,1,0,0|2,0,0]=4 26558 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [0,1,0,1,0,0|1,0,1]=4 26559 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|0,0,1]=3 26560 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [0,1,0,1,0,0|1,0,1]=4 26561 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [0,1,0,1,0,0|1,0,1]=4 26562 B11R1.29 CC(NCCF)C1CCCC1 2230a_100015185923_100011217306 [0,1,0,1,0,0|2,0,0]=4 26563 B11R1.29 CC(NCCF)C1CCCC1 269862a_100000724931_100000749594 [0,1,0,1,0,0|2,0,0]=4 26564 B11R1.29 CC(NCCF)C1CCCC1 34a_100015185923_100011217306 [0,1,0,1,0,0|2,0,0]=4 26565 B11R1.29 CC(NCCF)C1CCCO1 2230a_100025754208_100011217306 [0,1,0,1,0,0|2,0,0]=4 26566 B11R1.29 CC(NCCF)C1CCCO1 34a_100025754208_100011217306 [0,1,0,1,0,0|2,0,0]=4 26567 B11R1.29 CC(NCCO)C1CCCC1 2230a_100015185923_100000211926 [0,1,0,1,0,0|1,0,0]=3 26568 B11R1.29 CC(NCCO)C1CCCC1 269862a_100000210304_100000749594 [0,1,0,1,0,0|1,0,0]=3 26569 B11R1.29 CC(NCCO)C1CCCC1 270004a_100000210304_100000749594 [0,1,0,1,0,0|1,0,0]=3 26570 B11R1.29 CC(NCCO)C1CCCC1 34a_100015185923_100000211926 [0,1,0,1,0,0|1,0,0]=3 26571 B11R1.29 CC(NCCO)C1CCCO1 2230a_100025754208_100000211926 [0,1,0,1,0,0|2,0,0]=4 26572 B11R1.29 CC(NCCO)C1CCCO1 34a_100025754208_100000211926 [0,1,0,1,0,0|2,0,0]=4 26573 B11R1.29 CC(OCCF)C1CCCC1 34a_100011216366_100011217306 [0,1,0,1,0,0|2,0,0]=4 26574 B11R1.29 CC(OCCF)C1CCCC1 7a_100011216366_100011217306 [0,1,0,1,0,0|2,0,0]=4 26575 B11R1.29 CC(OCCO)C1CCCC1 34a_100011216366_100000211926 [0,1,0,1,0,0|1,0,0]=3 26576 B11R1.29 CC(OCCO)C1CCCC1 7a_100011216366_100000211926 [0,1,0,1,0,0|1,0,0]=3 26577 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210183_100000179811 [0,1,0,1,0,0|1,0,1]=4 26578 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210718_100000210211 [0,1,0,1,0,0|1,0,1]=4 26579 B11R1.29 CCCCC(=O)C1CCCS1 1458a_100012002731_100000210211 [0,1,0,1,0,0|0,1,1]=4 26580 B11R1.29 CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210211 [0,1,0,1,0,0|0,0,1]=3 26581 B11R1.29 CCCCC(C)N1CCCC1 2230a_100000188435_200011215066 [0,1,0,1,0,0|2,0,0]=4 26582 B11R1.29 CCCCC(C)N1CCCC1 269982a_100000188435_200011215066 [0,1,0,1,0,0|2,0,0]=4 26583 B11R1.29 CCCCC(C)N1CCCC1 270004a_100000188435_100000210087 [0,1,0,1,0,0|2,0,0]=4 26584 B11R1.29 CCCCN(C)C1CCCC1 2230a_100000207505_100000210211 [0,1,0,1,0,0|2,0,0]=4 26585 B11R1.29 CCCCN(C)C1CCCC1 2230a_100000207549_100000179811 [0,1,0,1,0,0|2,0,0]=4 26586 B11R1.29 CCCCN(C)C1CCCC1 2230a_100015187791_200000210301 [0,1,0,1,0,0|2,0,0]=4 26587 B11R1.29 CCCCN(C)C1CCCC1 269982a_100000207505_100000210211 [0,1,0,1,0,0|2,0,0]=4 26588 B11R1.29 CCCCN(C)C1CCCC1 269982a_100000207549_100000179811 [0,1,0,1,0,0|2,0,0]=4 26589 B11R1.29 CCCCN(C)C1CCCC1 269982a_100015187791_200000210301 [0,1,0,1,0,0|2,0,0]=4 26590 B11R1.29 CCCCN(C)C1CCCC1 270004a_100000207549_100000210133 [0,1,0,1,0,0|2,0,0]=4 26591 B11R1.29 CCCCN(C)C1CCCC1 34a_100000207505_100000210210 [0,1,0,1,0,0|2,0,0]=4 26592 B11R1.29 CCCCN(C)C1CCCC1 34a_100015187791_200000210301 [0,1,0,1,0,0|2,0,0]=4 26593 B11R1.29 CCCCN([13CH3])C1CCCC1 2230a_100015187791_200025704644 [0,1,0,1,0,0|2,0,0]=4 26594 B11R1.29 CCCCN([13CH3])C1CCCC1 269982a_100015187791_200025704644 [0,1,0,1,0,0|2,0,0]=4 26595 B11R1.29 CCCCN([13CH3])C1CCCC1 34a_100015187791_200025704644 [0,1,0,1,0,0|2,0,0]=4 26596 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 11a_100020643023_100000686382 [0,1,0,1,0,0|1,0,1]=4 26597 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 1626a_100020643023_100000686382 [0,1,0,1,0,0|1,0,1]=4 26598 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 240690a_100020643023_100000686382 [0,1,0,1,0,0|1,0,1]=4 26599 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 527a_100020643023_100000686382 [0,1,0,1,0,0|1,0,1]=4 26600 B11R1.29 CCCNC(C)C1CCCC1 2230a_100015185923_100000210303 [0,1,0,1,0,0|2,0,0]=4 26601 B11R1.29 CCCNC(C)C1CCCC1 269862a_100020643023_100000749594 [0,1,0,1,0,0|2,0,0]=4 26602 B11R1.29 CCCNC(C)C1CCCC1 270004a_100020643023_100000749594 [0,1,0,1,0,0|2,0,0]=4 26603 B11R1.29 CCCNC(C)C1CCCC1 34a_100015185923_100000210303 [0,1,0,1,0,0|2,0,0]=4 26604 B11R1.29 CCCNC(C)C1CCCO1 2230a_100025754208_100000210303 [0,1,0,1,0,0|1,0,0]=3 26605 B11R1.29 CCCNC(C)C1CCCO1 34a_100025754208_100000210303 [0,1,0,1,0,0|1,0,0]=3 26606 B11R1.29 CCCOC(C)C1CCCC1 34a_100011216366_100000210303 [0,1,0,1,0,0|2,0,0]=4 26607 B11R1.29 CCCOC(C)C1CCCC1 7a_100011216366_100000210303 [0,1,0,1,0,0|2,0,0]=4 26608 B11R1.29 CN(CCCF)C1CCCC1 2230a_100000207505_100011934791 [0,1,0,1,0,0|2,0,0]=4 26609 B11R1.29 CN(CCCF)C1CCCC1 269982a_100000207505_100011934791 [0,1,0,1,0,0|2,0,0]=4 26610 B11R1.29 CN(CCCF)C1CCCC1 34a_100000207505_100011934791 [0,1,0,1,0,0|2,0,0]=4 26611 B11R1.29 CN(CCCO)C1CCCC1 2230a_100000207505_100000230001 [0,1,0,1,0,0|1,0,0]=3 26612 B11R1.29 CN(CCCO)C1CCCC1 2230a_100000213112_100000179811 [0,1,0,1,0,0|1,0,0]=3 26613 B11R1.29 CN(CCCO)C1CCCC1 269982a_100000207505_100011215043 [0,1,0,1,0,0|1,0,0]=3 26614 B11R1.29 CN(CCCO)C1CCCC1 269982a_100000213112_100000179811 [0,1,0,1,0,0|1,0,0]=3 26615 B11R1.29 CN(CCCO)C1CCCC1 270004a_100000213112_100000210133 [0,1,0,1,0,0|1,0,0]=3 26616 B11R1.29 CN(CCCO)C1CCCC1 34a_100000207505_100000230001 [0,1,0,1,0,0|1,0,0]=3 26617 B11R1.29 CN(CCCO)C1CCOC1 2230a_100000213112_100000731011 [0,1,0,1,0,0|2,0,0]=4 26618 B11R1.29 CN(CCCO)C1CCOC1 2230a_100016988252_100000230001 [0,1,0,1,0,0|2,0,0]=4 26619 B11R1.29 CN(CCCO)C1CCOC1 269982a_100000213112_100000731011 [0,1,0,1,0,0|2,0,0]=4 26620 B11R1.29 CN(CCCO)C1CCOC1 269982a_100016988252_100011215043 [0,1,0,1,0,0|2,0,0]=4 26621 B11R1.29 CN(CCCO)C1CCOC1 270004a_100000213112_100000752484 [0,1,0,1,0,0|2,0,0]=4 26622 B11R1.29 CN(CCCO)C1CCOC1 34a_100016988252_100000230001 [0,1,0,1,0,0|2,0,0]=4 26623 B11R1.29 CN(CCCO)C1CCSC1 270004a_100000213112_100000212027 [0,1,0,1,0,0|2,0,0]=4 26624 B11R1.29 COCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000233755 [0,1,0,1,0,0|1,0,1]=4 26625 B11R1.29 COCNC(C)C1CCCO1 2230a_100025754208_100000766300 [0,1,0,1,0,0|2,0,0]=4 26626 B11R1.29 CSCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000751147 [0,1,0,1,0,0|1,0,1]=4 26627 B11R1.29 CSCNC(C)C1CCCO1 2230a_100025754208_100011218213 [0,1,0,1,0,0|2,0,0]=4 26628 B11R1.29 CSCNC(C)C1CCCO1 34a_100025754208_100011218213 [0,1,0,1,0,0|2,0,0]=4 26629 B11R1.29 O=C(CCCF)C1CCCC1 1458a_100000210718_100011934791 [0,1,0,1,0,0|1,0,1]=4 26630 B11R1.29 O=C(CCCF)[C@@H]1CCCO1 1458a_100000686382_100011934791 [0,1,0,1,0,0|1,0,1]=4 26631 B11R1.29 O=C(CCCO)C1CCCC1 1458a_100000210718_100011215043 [0,1,0,1,0,0|0,0,1]=3 26632 B11R1.29 O=C(CCCO)C1CCCS1 1458a_100012002731_100011215043 [0,1,0,1,0,0|1,0,1]=4 26633 B11R1.29 O=C(CCCO)C1CCOC1 1458a_100011219752_100011215043 [0,1,0,1,0,0|1,0,1]=4 26634 B11R1.29 O=C(CCCO)[C@@H]1CCCO1 1458a_100000686382_100011215043 [0,1,0,1,0,0|1,0,1]=4 26635 B11R1.29 O=C(NCCO)C1CCCC1 240690a_100000210304_100000210718 [0,1,0,1,0,0|1,0,1]=4 26636 B11R1.29 O=C(NCCO)C1CCCC1 527a_100000210304_100000210718 [0,1,0,1,0,0|1,0,1]=4 26637 B11R1.182 CC1CCC(C(C1)OCF)C 34a_100011217446_100015361967 [0,1,0,1,0,0|2,0,0]=4 26638 B11R1.182 CC1CCC(C(C1)OCF)C 7a_100011217446_100015361967 [0,1,0,1,0,0|2,0,0]=4 26639 B11R1.182 CCNC1CC(CCC1C)C 269862a_100015525214_100000034887 [0,1,0,1,0,0|2,0,0]=4 26640 B11R1.182 CCNC1CC(CCC1C)C 270004a_100015525214_100000034887 [0,1,0,1,0,0|2,0,0]=4 26641 B11R1.182 CCOC1CC(CCC1C)C 34a_100011217446_100000210202 [0,1,0,1,0,0|2,0,0]=4 26642 B11R1.182 CCOC1CC(CCC1C)C 7a_100011217446_100000210202 [0,1,0,1,0,0|2,0,0]=4 26643 B11R1.182 C[C@@H]1CN([C@@H](CO1)C)CCO 2230a_100016991869_100000211926 [0,1,0,1,0,0|2,0,0]=4 26644 B11R1.182 C[C@@H]1CN([C@@H](CO1)C)CCO 269982a_100016991869_100000211926 [0,1,0,1,0,0|2,0,0]=4 26645 B11R1.182 C[C@@H]1CN([C@@H](CO1)C)CCO 34a_100016991869_100000211926 [0,1,0,1,0,0|2,0,0]=4 26646 B11R1.183 CCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000210303 [0,1,0,1,0,0|1,0,0]=3 26647 B11R1.183 CCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000210303 [0,1,0,1,0,0|1,0,0]=3 26648 B11R1.183 CCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000210303 [0,1,0,1,0,0|1,0,0]=3 26649 B11R1.183 CCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000210303 [0,1,0,1,0,0|1,0,0]=3 26650 B11R1.183 CCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000210303 [0,1,0,1,0,0|1,0,0]=3 26651 B11R1.183 COCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000766300 [0,1,0,1,0,0|2,0,0]=4 26652 B11R1.183 COCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000766300 [0,1,0,1,0,0|2,0,0]=4 26653 B11R1.183 COCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000766300 [0,1,0,1,0,0|2,0,0]=4 26654 B11R1.183 COCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000766300 [0,1,0,1,0,0|2,0,0]=4 26655 B11R1.183 CSCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100011218213 [0,1,0,1,0,0|2,0,0]=4 26656 B11R1.183 CSCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100011218213 [0,1,0,1,0,0|2,0,0]=4 26657 B11R1.183 CSCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100011218213 [0,1,0,1,0,0|2,0,0]=4 26658 B11R1.183 CSCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100011218213 [0,1,0,1,0,0|2,0,0]=4 26659 B11R1.183 CSCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100011218213 [0,1,0,1,0,0|2,0,0]=4 26660 B11R1.183 OCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000211926 [0,1,0,1,0,0|2,0,0]=4 26661 B11R1.183 OCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000211926 [0,1,0,1,0,0|2,0,0]=4 26662 B11R1.183 OCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000211926 [0,1,0,1,0,0|2,0,0]=4 26663 B11R1.183 OCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000211926 [0,1,0,1,0,0|2,0,0]=4 26664 B11R1.183 OCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000211926 [0,1,0,1,0,0|2,0,0]=4 26665 B11R1.183 OC[C@@H]1C[C@@H](CN1CCF)F 2230a_100015204000_100011217306 [0,1,0,1,0,0|2,0,0]=4 26666 B11R1.183 OC[C@@H]1C[C@@H](CN1CCF)F 269982a_100015204000_100011217306 [0,1,0,1,0,0|2,0,0]=4 26667 B11R1.183 OC[C@@H]1C[C@@H](CN1CCF)F 34a_100015204000_100011217306 [0,1,0,1,0,0|2,0,0]=4 26668 B11R1.183 OC[C@@H]1C[C@H](CN1CCF)O 2230a_100000707816_100011217306 [0,1,0,1,0,0|2,0,0]=4 26669 B11R1.183 OC[C@@H]1C[C@H](CN1CCF)O 269982a_100000707816_100011217306 [0,1,0,1,0,0|2,0,0]=4 26670 B11R1.282 CCC1CC1C(=O)CCCF 1458a_200011661523_100011934791 [0,1,0,1,0,0|1,0,1]=4 26671 B11R1.282 CCC1CC1C(=O)CCCO 1458a_200011661523_100011215043 [0,1,0,1,0,0|0,0,1]=3 26672 B11R1.282 CCC1CC1C(=O)NCCO 240690a_100000210304_200011661523 [0,1,0,1,0,0|1,0,1]=4 26673 B11R1.282 CCC1CC1C(=O)NCCO 527a_100000210304_200011661523 [0,1,0,1,0,0|1,0,1]=4 26674 B11R1.282 CCCCC(=O)C1CC1CC 1458a_200011661523_100000210211 [0,1,0,1,0,0|1,0,1]=4 26675 B11R1.283 CCCCC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_200011215066 [0,1,0,1,0,0|2,0,0]=4 26676 B11R1.283 CCCCC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_200011215066 [0,1,0,1,0,0|2,0,0]=4 26677 B11R1.283 CCCCC(C)N[C@@H]1C[C@H]1F 34a_100025746932_200011215066 [0,1,0,1,0,0|2,0,0]=4 26678 B11R1.284 CC(CCCCl)OC1CCC1 34a_200000718107_100000749161 [0,1,0,1,0,0|2,0,0]=4 26679 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000210183_100000763275 [0,1,0,1,0,0|1,0,1]=4 26680 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000763092_100000210211 [0,1,0,1,0,0|1,0,1]=4 26681 B11R1.284 CCCCC(=O)CC1CCO1 1458a_100000210183_100000103362 [0,1,0,1,0,0|0,0,1]=3 26682 B11R1.284 CCCCC(C)NC1CCC1 2230a_100000749019_200011215066 [0,1,0,1,0,0|2,0,0]=4 26683 B11R1.284 CCCCC(C)NC1CCC1 270004a_100000126638_100000241760 [0,1,0,1,0,0|2,0,0]=4 26684 B11R1.284 CCCCC(C)NC1CCC1 34a_100000749019_200011215066 [0,1,0,1,0,0|2,0,0]=4 26685 B11R1.284 CCCCC(C)OC1CCC1 34a_100000687866_100000749161 [0,1,0,1,0,0|2,0,0]=4 26686 B11R1.284 CCCCC(C)OC1CCC1 34a_100000748187_200011215066 [0,1,0,1,0,0|2,0,0]=4 26687 B11R1.284 CCCCC(C)SC1CCC1 62a_200011215066_100000749161 [0,1,0,1,0,0|2,0,0]=4 26688 B11R1.284 CCCCN(C)CC1CCC1 2230a_100000207549_100000763275 [0,1,0,1,0,0|2,0,0]=4 26689 B11R1.284 CCCCN(C)CC1CCC1 2230a_200000750244_100000210211 [0,1,0,1,0,0|2,0,0]=4 26690 B11R1.284 CCCCN(C)CC1CCC1 269982a_100000207549_100000763275 [0,1,0,1,0,0|2,0,0]=4 26691 B11R1.284 CCCCN(C)CC1CCC1 269982a_200000750244_100000210211 [0,1,0,1,0,0|2,0,0]=4 26692 B11R1.284 CCCCN(C)CC1CCC1 34a_200000750244_100000210210 [0,1,0,1,0,0|2,0,0]=4 26693 B11R1.284 CCCCN(C)CC1CCO1 2230a_100000207549_100000103362 [0,1,0,1,0,0|1,0,0]=3 26694 B11R1.284 CCCCN(C)CC1CCO1 269982a_100000207549_100000103362 [0,1,0,1,0,0|1,0,0]=3 26695 B11R1.284 CCOCC(=O)CC1CCO1 1458a_100000211967_100000103362 [0,1,0,1,0,0|1,0,1]=4 26696 B11R1.284 CCSCC(=O)CC1CCO1 1458a_100000230394_100000103362 [0,1,0,1,0,0|1,0,1]=4 26697 B11R1.284 CN(CCCF)CC1CCC1 2230a_200000750244_100011934791 [0,1,0,1,0,0|2,0,0]=4 26698 B11R1.284 CN(CCCF)CC1CCC1 269982a_200000750244_100011934791 [0,1,0,1,0,0|2,0,0]=4 26699 B11R1.284 CN(CCCF)CC1CCC1 34a_200000750244_100011934791 [0,1,0,1,0,0|2,0,0]=4 26700 B11R1.284 CN(CCCO)CC1CCC1 2230a_100000213112_100000763275 [0,1,0,1,0,0|1,0,0]=3 26701 B11R1.284 CN(CCCO)CC1CCC1 2230a_200000750244_100000230001 [0,1,0,1,0,0|1,0,0]=3 26702 B11R1.284 CN(CCCO)CC1CCC1 269982a_100000213112_100000763275 [0,1,0,1,0,0|1,0,0]=3 26703 B11R1.284 CN(CCCO)CC1CCC1 269982a_200000750244_100011215043 [0,1,0,1,0,0|1,0,0]=3 26704 B11R1.284 CN(CCCO)CC1CCC1 34a_200000750244_100000230001 [0,1,0,1,0,0|1,0,0]=3 26705 B11R1.284 CN(CCCO)CC1CCO1 2230a_100000213112_100000103362 [0,1,0,1,0,0|2,0,0]=4 26706 B11R1.284 CN(CCCO)CC1CCO1 269982a_100000213112_100000103362 [0,1,0,1,0,0|2,0,0]=4 26707 B11R1.284 CN(CCCO)CC1COC1 2230a_100000213112_100010264016 [0,1,0,1,0,0|2,0,0]=4 26708 B11R1.284 CN(CCCO)CC1COC1 269982a_100000213112_100010264016 [0,1,0,1,0,0|2,0,0]=4 26709 B11R1.284 COCCC(=O)CC1CCO1 1458a_100000749529_100000103362 [0,1,0,1,0,0|1,0,1]=4 26710 B11R1.284 COCCN(C)CC1CCO1 2230a_100000743101_100000103362 [0,1,0,1,0,0|2,0,0]=4 26711 B11R1.284 COCCN(C)CC1CCO1 269982a_100000743101_100000103362 [0,1,0,1,0,0|2,0,0]=4 26712 B11R1.284 CSCCC(=O)CC1CCO1 1458a_100000174002_100000103362 [0,1,0,1,0,0|1,0,1]=4 26713 B11R1.284 CSCCN(C)CC1CCO1 2230a_100000686725_100000103362 [0,1,0,1,0,0|2,0,0]=4 26714 B11R1.284 CSCCN(C)CC1CCO1 269982a_100000686725_100000103362 [0,1,0,1,0,0|2,0,0]=4 26715 B11R1.284 O=C(CC1CCC1)NCCO 240690a_100000210304_100000763092 [0,1,0,1,0,0|1,0,1]=4 26716 B11R1.284 O=C(CC1CCC1)NCCO 527a_100000210304_100000763092 [0,1,0,1,0,0|1,0,1]=4 26717 B11R1.284 O=C(CCCF)CC1CCC1 1458a_100000763092_100011934791 [0,1,0,1,0,0|1,0,1]=4 26718 B11R1.284 O=C(CCCO)CC1CCC1 1458a_100000763092_100011215043 [0,1,0,1,0,0|0,0,1]=3 26719 B11R1.284 O=C(CCCO)CC1COC1 1458a_100000687760_100011215043 [0,1,0,1,0,0|1,0,1]=4 26720 B11R1.285 CC(CCCCl)OCC1CC1 34a_200000718107_100000742324 [0,1,0,1,0,0|2,0,0]=4 26721 B11R1.285 CC(CCCCl)OCC1CC1 7a_200000718107_100000742324 [0,1,0,1,0,0|2,0,0]=4 26722 B11R1.285 CC(CCCCl)OCC1CO1 34a_200000718107_102125554688 [0,1,0,1,0,0|2,0,0]=4 26723 B11R1.285 CC(CCCCl)OCC1CO1 7a_200000718107_102125554688 [0,1,0,1,0,0|2,0,0]=4 26724 B11R1.285 CC(CCCCl)OC[C@@H]1CO1 7a_200000718107_100000745022 [0,1,0,1,0,0|2,0,0]=4 26725 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000210183_100000694398 [0,1,0,1,0,0|1,0,1]=4 26726 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000756386_100000210211 [0,1,0,1,0,0|1,0,1]=4 26727 B11R1.285 CCCCC(=O)CCC1CO1 1458a_100000210183_100000732470 [0,1,0,1,0,0|0,0,1]=3 26728 B11R1.285 CCCCC(C)COC1CC1 34a_100011995851_100000211595 [0,1,0,1,0,0|2,0,0]=4 26729 B11R1.285 CCCCC(C)NCC1CC1 2230a_100000126638_100000742324 [0,1,0,1,0,0|2,0,0]=4 26730 B11R1.285 CCCCC(C)NCC1CC1 2230a_100000735609_200011215066 [0,1,0,1,0,0|2,0,0]=4 26731 B11R1.285 CCCCC(C)NCC1CC1 269862a_100000126638_100000741477 [0,1,0,1,0,0|2,0,0]=4 26732 B11R1.285 CCCCC(C)NCC1CC1 270004a_100000735609_100000210087 [0,1,0,1,0,0|2,0,0]=4 26733 B11R1.285 CCCCC(C)NCC1CC1 34a_100000735609_200011215066 [0,1,0,1,0,0|2,0,0]=4 26734 B11R1.285 CCCCC(C)NCC1CO1 2230a_100000126638_100011216344 [0,1,0,1,0,0|1,0,0]=3 26735 B11R1.285 CCCCC(C)OCC1CC1 34a_100000211283_200011215066 [0,1,0,1,0,0|2,0,0]=4 26736 B11R1.285 CCCCC(C)OCC1CC1 34a_100000687866_100000742324 [0,1,0,1,0,0|2,0,0]=4 26737 B11R1.285 CCCCC(C)OCC1CC1 7a_100000687866_100000742324 [0,1,0,1,0,0|2,0,0]=4 26738 B11R1.285 CCCCC(C)OCC1CO1 34a_100000687866_102125554688 [0,1,0,1,0,0|1,0,0]=3 26739 B11R1.285 CCCCC(C)OCC1CO1 7a_100000687866_102125554688 [0,1,0,1,0,0|1,0,0]=3 26740 B11R1.285 CCCCC(C)OCC1CS1 7a_100000687866_100000031435 [0,1,0,1,0,0|1,1,0]=4 26741 B11R1.285 CCCCC(C)OC[C@@H]1CO1 34a_100000757423_200011215066 [0,1,0,1,0,0|1,0,0]=3 26742 B11R1.285 CCCCC(C)OC[C@@H]1CO1 7a_100000687866_100000745022 [0,1,0,1,0,0|1,0,0]=3 26743 B11R1.285 CCCCC(C)SCC1CC1 62a_100000756562_200011215066 [0,1,0,1,0,0|2,0,0]=4 26744 B11R1.285 CCCCC(C)SCC1CC1 62a_200011215066_100000742324 [0,1,0,1,0,0|2,0,0]=4 26745 B11R1.285 CCCCC(C)SCC1CO1 62a_102125554688_200011215066 [0,1,0,1,0,0|1,0,0]=3 26746 B11R1.285 CCCCC(C)SCC1CO1 62a_200011215066_102125554688 [0,1,0,1,0,0|1,0,0]=3 26747 B11R1.285 CCCCC(C)SCC1CS1 62a_100000031435_200011215066 [0,1,0,1,0,0|1,1,0]=4 26748 B11R1.285 CCCCC(C)SCC1CS1 62a_200011215066_100000031435 [0,1,0,1,0,0|1,1,0]=4 26749 B11R1.285 CCCCC(C)SC[C@@H]1CO1 62a_100000745022_200011215066 [0,1,0,1,0,0|1,0,0]=3 26750 B11R1.285 CCCCC(C)SC[C@@H]1CO1 62a_200011215066_100000745022 [0,1,0,1,0,0|1,0,0]=3 26751 B11R1.285 CCCCN(C)CCC1CC1 2230a_100000207549_100000694398 [0,1,0,1,0,0|2,0,0]=4 26752 B11R1.285 CCCCN(C)CCC1CC1 269982a_100000207549_100000694398 [0,1,0,1,0,0|2,0,0]=4 26753 B11R1.285 CCCCN(C)CCC1CO1 2230a_100000207549_100000732470 [0,1,0,1,0,0|1,0,0]=3 26754 B11R1.285 CCCCN(C)CCC1CO1 269982a_100000207549_100000732470 [0,1,0,1,0,0|1,0,0]=3 26755 B11R1.285 CCCC[C@H](N)COC1CC1 34a_100011934283_100000211595 [0,1,0,1,0,0|2,0,0]=4 26756 B11R1.285 CCOCC(=O)CCC1CO1 1458a_100000211967_100000732470 [0,1,0,1,0,0|1,0,1]=4 26757 B11R1.285 CCOCC(C)OCC1CO1 34a_100000718985_102125554688 [0,1,0,1,0,0|2,0,0]=4 26758 B11R1.285 CCOCC(C)OCC1CO1 7a_100000718985_102125554688 [0,1,0,1,0,0|2,0,0]=4 26759 B11R1.285 CCOCC(C)OC[C@@H]1CO1 7a_100000718985_100000745022 [0,1,0,1,0,0|2,0,0]=4 26760 B11R1.285 CCSCC(=O)CCC1CO1 1458a_100000230394_100000732470 [0,1,0,1,0,0|1,0,1]=4 26761 B11R1.285 CN(CCCO)CCC1CC1 2230a_100000213112_100000694398 [0,1,0,1,0,0|1,0,0]=3 26762 B11R1.285 CN(CCCO)CCC1CC1 269982a_100000213112_100000694398 [0,1,0,1,0,0|1,0,0]=3 26763 B11R1.285 CN(CCCO)CCC1CO1 2230a_100000213112_100000732470 [0,1,0,1,0,0|2,0,0]=4 26764 B11R1.285 CN(CCCO)CCC1CO1 269982a_100000213112_100000732470 [0,1,0,1,0,0|2,0,0]=4 26765 B11R1.285 COCCC(=O)CCC1CO1 1458a_100000749529_100000732470 [0,1,0,1,0,0|1,0,1]=4 26766 B11R1.285 COCCN(C)CCC1CO1 2230a_100000743101_100000732470 [0,1,0,1,0,0|2,0,0]=4 26767 B11R1.285 COCCN(C)CCC1CO1 269982a_100000743101_100000732470 [0,1,0,1,0,0|2,0,0]=4 26768 B11R1.285 CSCCC(=O)CCC1CO1 1458a_100000174002_100000732470 [0,1,0,1,0,0|1,0,1]=4 26769 B11R1.285 CSCCN(C)CCC1CO1 2230a_100000686725_100000732470 [0,1,0,1,0,0|2,0,0]=4 26770 B11R1.285 CSCCN(C)CCC1CO1 269982a_100000686725_100000732470 [0,1,0,1,0,0|2,0,0]=4 26771 B11R1.285 C[C@H](CCCO)CNC1CC1 34a_100160569302_100000211595 [0,1,0,1,0,0|1,0,0]=3 26772 B11R1.285 O=C(CCC1CC1)NCCO 240690a_100000210304_100000756386 [0,1,0,1,0,0|1,0,1]=4 26773 B11R1.285 O=C(CCC1CC1)NCCO 527a_100000210304_100000756386 [0,1,0,1,0,0|1,0,1]=4 26774 B11R1.285 O=C(CCCF)CCC1CC1 1458a_100000756386_100011934791 [0,1,0,1,0,0|1,0,1]=4 26775 B11R1.285 O=C(CCCO)CCC1CC1 1458a_100000756386_100011215043 [0,1,0,1,0,0|0,0,1]=3 26776 B11R1.286 CCCCC(C)N1CCC1C 269982a_100000755817_200011215066 [0,1,0,1,0,0|2,0,0]=4 26777 B11R1.286 CCCCC(C)N1CCC1C 34a_100000755817_200011215066 [0,1,0,1,0,0|2,0,0]=4 26778 B11R1.299 CC(NCCCF)C1CCC1 2230a_100016994624_100011934791 [0,1,0,1,0,0|2,0,0]=4 26779 B11R1.299 CC(NCCCF)C1CCC1 269862a_100015189416_100000760154 [0,1,0,1,0,0|2,0,0]=4 26780 B11R1.299 CC(NCCCF)C1CCC1 34a_100016994624_100011934791 [0,1,0,1,0,0|2,0,0]=4 26781 B11R1.299 CC(NCCCO)C1CCC1 2230a_100016994624_100000230001 [0,1,0,1,0,0|1,0,0]=3 26782 B11R1.299 CC(NCCCO)C1CCC1 269862a_100000182051_100000760154 [0,1,0,1,0,0|1,0,0]=3 26783 B11R1.299 CC(NCCCO)C1CCC1 34a_100016994624_100000230001 [0,1,0,1,0,0|1,0,0]=3 26784 B11R1.299 CC(OCCCF)C1CCC1 34a_100000766398_100011934791 [0,1,0,1,0,0|2,0,0]=4 26785 B11R1.299 CC(OCCCF)C1CCC1 7a_100000766398_100011934791 [0,1,0,1,0,0|2,0,0]=4 26786 B11R1.299 CC(OCCCO)C1CCC1 34a_100000766398_100000230001 [0,1,0,1,0,0|1,0,0]=3 26787 B11R1.299 CC(OCCCO)C1CCC1 7a_100000766398_100011215043 [0,1,0,1,0,0|1,0,0]=3 26788 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000209988_100000210326 [0,1,0,1,0,0|1,0,1]=4 26789 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000212188_100000749161 [0,1,0,1,0,0|1,0,1]=4 26790 B11R1.299 CCCCCC(=O)C1CCO1 1458a_100000089072_100000210326 [0,1,0,1,0,0|0,0,1]=3 26791 B11R1.299 CCCCCC(C)N1CCC1 269982a_100000754969_200011218191 [0,1,0,1,0,0|2,0,0]=4 26792 B11R1.299 CCCCCN(C)C1CCC1 2230a_100000758072_100000210326 [0,1,0,1,0,0|2,0,0]=4 26793 B11R1.299 CCCCCN(C)C1CCC1 269982a_100000223495_100000749161 [0,1,0,1,0,0|2,0,0]=4 26794 B11R1.299 CCCCCN(C)C1CCC1 269982a_100000758072_100000210215 [0,1,0,1,0,0|2,0,0]=4 26795 B11R1.299 CCCCCN(C)C1CCC1 270004a_100000223495_100000241760 [0,1,0,1,0,0|2,0,0]=4 26796 B11R1.299 CCCCCN(C)C1CCC1 34a_100000758072_100000718602 [0,1,0,1,0,0|2,0,0]=4 26797 B11R1.299 CCCCNC(=O)C1CCO1 11a_100000102301_100000089072 [0,1,0,1,0,0|1,0,1]=4 26798 B11R1.299 CCCCNC(=O)C1CCO1 1626a_100000102301_100000089072 [0,1,0,1,0,0|1,0,1]=4 26799 B11R1.299 CCCCNC(=O)C1CCO1 240690a_100000102301_100000089072 [0,1,0,1,0,0|1,0,1]=4 26800 B11R1.299 CCCCNC(=O)C1CCO1 527a_100000102301_100000089072 [0,1,0,1,0,0|1,0,1]=4 26801 B11R1.299 CCCCNC(C)C1CCC1 2230a_100016994624_100000210211 [0,1,0,1,0,0|2,0,0]=4 26802 B11R1.299 CCCCNC(C)C1CCC1 269862a_100000102301_100000760154 [0,1,0,1,0,0|2,0,0]=4 26803 B11R1.299 CCCCNC(C)C1CCC1 34a_100016994624_100000210210 [0,1,0,1,0,0|2,0,0]=4 26804 B11R1.299 CCCCOC(C)C1CCC1 34a_100000766398_100000210210 [0,1,0,1,0,0|2,0,0]=4 26805 B11R1.299 CCCCOC(C)C1CCC1 7a_100000766398_100000210211 [0,1,0,1,0,0|2,0,0]=4 26806 B11R1.299 CCOCCC(=O)C1CCO1 1458a_100000089072_100011215890 [0,1,0,1,0,0|1,0,1]=4 26807 B11R1.299 CCSCCC(=O)C1CCO1 1458a_100000089072_100000757381 [0,1,0,1,0,0|1,0,1]=4 26808 B11R1.299 CN(CCCCF)C1CCC1 2230a_100000758072_100000729493 [0,1,0,1,0,0|2,0,0]=4 26809 B11R1.299 CN(CCCCF)C1CCC1 269982a_100000758072_100000729493 [0,1,0,1,0,0|2,0,0]=4 26810 B11R1.299 CN(CCCCF)C1CCC1 34a_100000758072_100000729493 [0,1,0,1,0,0|2,0,0]=4 26811 B11R1.299 CN(CCCCO)C1CCC1 2230a_100000758072_100000210776 [0,1,0,1,0,0|1,0,0]=3 26812 B11R1.299 CN(CCCCO)C1CCC1 269982a_100000717598_100000749161 [0,1,0,1,0,0|1,0,0]=3 26813 B11R1.299 CN(CCCCO)C1CCC1 269982a_100000758072_100000210776 [0,1,0,1,0,0|1,0,0]=3 26814 B11R1.299 CN(CCCCO)C1CCC1 270004a_100000717598_100000241760 [0,1,0,1,0,0|1,0,0]=3 26815 B11R1.299 CN(CCCCO)C1CCC1 34a_100000758072_100011216708 [0,1,0,1,0,0|1,0,0]=3 26816 B11R1.299 CN(CCCCO)C1COC1 2230a_100102693430_100000210776 [0,1,0,1,0,0|2,0,0]=4 26817 B11R1.299 CN(CCCCO)C1COC1 269982a_100000717598_100000687716 [0,1,0,1,0,0|2,0,0]=4 26818 B11R1.299 CN(CCCCO)C1COC1 269982a_100102693430_100000210776 [0,1,0,1,0,0|2,0,0]=4 26819 B11R1.299 COCCCC(=O)C1CCO1 1458a_100000089072_100000740836 [0,1,0,1,0,0|1,0,1]=4 26820 B11R1.299 N[C@H](COCCO)C1COC1 34a_217856628679_100000211926 [0,1,0,1,0,0|2,0,0]=4 26821 B11R1.299 O=C(CCCCF)C1CCC1 1458a_100000209988_100000729493 [0,1,0,1,0,0|1,0,1]=4 26822 B11R1.299 O=C(CCCCF)C1CCO1 1458a_100000089072_100000729493 [0,1,0,1,0,0|1,0,1]=4 26823 B11R1.299 O=C(CCCCO)C1CCC1 1458a_100000209988_100000210776 [0,1,0,1,0,0|0,0,1]=3 26824 B11R1.299 O=C(CCCCO)C1CCC1 1458a_100000695505_100000749161 [0,1,0,1,0,0|0,0,1]=3 26825 B11R1.299 O=C(CCCCO)C1CCO1 1458a_100000089072_100000210776 [0,1,0,1,0,0|1,0,1]=4 26826 B11R1.299 O=C(CCCCO)C1COC1 1458a_100000695505_100000687716 [0,1,0,1,0,0|1,0,1]=4 26827 B11R1.299 O=C(CCCCO)C1COC1 1458a_100000758290_100000210776 [0,1,0,1,0,0|1,0,1]=4 26828 B11R1.299 O=C(CNCCO)C1CCC1 2230a_100016997473_100000686122 [0,1,0,1,0,0|1,0,1]=4 26829 B11R1.299 O=C(CNCCO)C1CCC1 34a_100016990907_100000686122 [0,1,0,1,0,0|1,0,1]=4 26830 B11R1.299 O=C(COCCO)C1CCC1 1458a_100000708028_100000749161 [0,1,0,1,0,0|1,0,1]=4 26831 B11R1.299 O=C(CSCCO)C1CCC1 62a_100000211926_100000686122 [0,1,0,1,0,0|1,0,1]=4 26832 B11R1.299 O=C(CSCCO)C1CCC1 62a_100000686122_100000211926 [0,1,0,1,0,0|1,0,1]=4 26833 B11R1.299 O=C(NCCCO)C1CCC1 240690a_100000182051_100000209988 [0,1,0,1,0,0|1,0,1]=4 26834 B11R1.299 O=C(NCCCO)C1CCC1 527a_100000182051_100000209988 [0,1,0,1,0,0|1,0,1]=4 26835 B11R1.301 CC(CC1CC1)NCCCF 270004a_100015189416_200000686933 [0,1,0,1,0,0|2,0,0]=4 26836 B11R1.301 CC(CC1CC1)NCCCO 270004a_100000182051_200000686933 [0,1,0,1,0,0|1,0,0]=3 26837 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000212188_100000742324 [0,1,0,1,0,0|1,0,1]=4 26838 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000738066_100000210326 [0,1,0,1,0,0|1,0,1]=4 26839 B11R1.301 CCCCCC(=O)CC1CO1 1458a_100000212188_100011216344 [0,1,0,1,0,0|0,0,1]=3 26840 B11R1.301 CCCCCC(=O)CC1CS1 1458a_100000212188_100000031435 [0,1,0,1,0,0|0,1,1]=4 26841 B11R1.301 CCCCCC(=O)C[C@@H]1CO1 1458a_100000212188_100000745022 [0,1,0,1,0,0|0,0,1]=3 26842 B11R1.301 CCCCCC(C)NC1CC1 34a_100000212008_200011218191 [0,1,0,1,0,0|2,0,0]=4 26843 B11R1.301 CCCCCC(C)OC1CC1 34a_100011215632_100000211595 [0,1,0,1,0,0|2,0,0]=4 26844 B11R1.301 CCCCCC(C)SC1CC1 62a_200011218191_100000211595 [0,1,0,1,0,0|2,0,0]=4 26845 B11R1.301 CCCCCN(C)CC1CC1 2230a_100000223495_100000742324 [0,1,0,1,0,0|2,0,0]=4 26846 B11R1.301 CCCCCN(C)CC1CC1 2230a_100000741881_100000210326 [0,1,0,1,0,0|2,0,0]=4 26847 B11R1.301 CCCCCN(C)CC1CC1 269982a_100000223495_100000756562 [0,1,0,1,0,0|2,0,0]=4 26848 B11R1.301 CCCCCN(C)CC1CC1 269982a_100000741881_100000210215 [0,1,0,1,0,0|2,0,0]=4 26849 B11R1.301 CCCCCN(C)CC1CO1 2230a_100000223495_100011216344 [0,1,0,1,0,0|1,0,0]=3 26850 B11R1.301 CCCCCN(C)CC1CO1 269982a_100000223495_102125554688 [0,1,0,1,0,0|1,0,0]=3 26851 B11R1.301 CCCCCN(C)CC1CS1 269982a_100000223495_100000031435 [0,1,0,1,0,0|1,1,0]=4 26852 B11R1.301 CCCCCN(C)C[C@@H]1CO1 269982a_100000223495_100000745022 [0,1,0,1,0,0|1,0,0]=3 26853 B11R1.301 CCCCNC(C)CC1CC1 270004a_100000102301_200000686933 [0,1,0,1,0,0|2,0,0]=4 26854 B11R1.301 CCCOCC(=O)CC1CO1 1458a_100000745993_100011216344 [0,1,0,1,0,0|1,0,1]=4 26855 B11R1.301 CCCOCC(=O)C[C@@H]1CO1 1458a_100000745993_100000745022 [0,1,0,1,0,0|1,0,1]=4 26856 B11R1.301 CCCSCC(=O)CC1CO1 1458a_100000217233_100011216344 [0,1,0,1,0,0|1,0,1]=4 26857 B11R1.301 CCCSCC(=O)C[C@@H]1CO1 1458a_100000217233_100000745022 [0,1,0,1,0,0|1,0,1]=4 26858 B11R1.301 CCOCCC(=O)CC1CO1 1458a_100000749530_100011216344 [0,1,0,1,0,0|1,0,1]=4 26859 B11R1.301 CCOCCC(=O)C[C@@H]1CO1 1458a_100000749530_100000745022 [0,1,0,1,0,0|1,0,1]=4 26860 B11R1.301 CCSCCC(=O)CC1CO1 1458a_100000230768_100011216344 [0,1,0,1,0,0|1,0,1]=4 26861 B11R1.301 CCSCCC(=O)C[C@@H]1CO1 1458a_100000230768_100000745022 [0,1,0,1,0,0|1,0,1]=4 26862 B11R1.301 CN(CCCCF)CC1CC1 2230a_100000741881_100000729493 [0,1,0,1,0,0|2,0,0]=4 26863 B11R1.301 CN(CCCCF)CC1CC1 269982a_100000741881_100000729493 [0,1,0,1,0,0|2,0,0]=4 26864 B11R1.301 CN(CCCCO)CC1CC1 2230a_100000717598_100000742324 [0,1,0,1,0,0|1,0,0]=3 26865 B11R1.301 CN(CCCCO)CC1CC1 2230a_100000741881_100000210776 [0,1,0,1,0,0|1,0,0]=3 26866 B11R1.301 CN(CCCCO)CC1CC1 269982a_100000717598_100000756562 [0,1,0,1,0,0|1,0,0]=3 26867 B11R1.301 CN(CCCCO)CC1CC1 269982a_100000741881_100000210776 [0,1,0,1,0,0|1,0,0]=3 26868 B11R1.301 CN(CCCCO)CC1CO1 2230a_100000717598_100011216344 [0,1,0,1,0,0|2,0,0]=4 26869 B11R1.301 CN(CCCCO)CC1CO1 269982a_100000717598_102125554688 [0,1,0,1,0,0|2,0,0]=4 26870 B11R1.301 CN(CCCCO)CC1CS1 269982a_100000717598_100000031435 [0,1,0,1,0,0|2,0,0]=4 26871 B11R1.301 CN(CCCCO)C[C@@H]1CO1 269982a_100000717598_100000745022 [0,1,0,1,0,0|2,0,0]=4 26872 B11R1.301 COCCCC(=O)CC1CO1 1458a_100000741012_100011216344 [0,1,0,1,0,0|1,0,1]=4 26873 B11R1.301 COCCCC(=O)C[C@@H]1CO1 1458a_100000741012_100000745022 [0,1,0,1,0,0|1,0,1]=4 26874 B11R1.301 COCCCN(C)CC1CO1 2230a_100000224831_100011216344 [0,1,0,1,0,0|2,0,0]=4 26875 B11R1.301 COCCCN(C)CC1CO1 269982a_100000224831_102125554688 [0,1,0,1,0,0|2,0,0]=4 26876 B11R1.301 COCCCN(C)C[C@@H]1CO1 269982a_100000224831_100000745022 [0,1,0,1,0,0|2,0,0]=4 26877 B11R1.301 CSCCCC(=O)CC1CO1 1458a_100000173376_100011216344 [0,1,0,1,0,0|1,0,1]=4 26878 B11R1.301 CSCCCC(=O)C[C@@H]1CO1 1458a_100000173376_100000745022 [0,1,0,1,0,0|1,0,1]=4 26879 B11R1.301 O=C(CC1CC1)NCCCO 240690a_100000182051_100000738066 [0,1,0,1,0,0|1,0,1]=4 26880 B11R1.301 O=C(CC1CC1)NCCCO 527a_100000182051_100000738066 [0,1,0,1,0,0|1,0,1]=4 26881 B11R1.301 O=C(CCCCF)CC1CC1 1458a_100000738066_100000729493 [0,1,0,1,0,0|1,0,1]=4 26882 B11R1.301 O=C(CCCCO)CC1CC1 1458a_100000695505_100000742324 [0,1,0,1,0,0|0,0,1]=3 26883 B11R1.301 O=C(CCCCO)CC1CC1 1458a_100000738066_100000210776 [0,1,0,1,0,0|0,0,1]=3 26884 B11R1.301 O=C(CCCCO)CC1CO1 1458a_100000695505_100011216344 [0,1,0,1,0,0|1,0,1]=4 26885 B11R1.301 O=C(CCCCO)CC1CS1 1458a_100000695505_100000031435 [0,1,0,1,0,0|1,0,1]=4 26886 B11R1.301 O=C(CCCCO)C[C@@H]1CO1 1458a_100000695505_100000745022 [0,1,0,1,0,0|1,0,1]=4 26887 B11R1.301 O=C(CCCCO)NC1CC1 1626a_100000212008_100000695505 [0,1,0,1,0,0|1,0,1]=4 26888 B11R1.301 O=C(COCCO)CC1CC1 1458a_100000708028_100000742324 [0,1,0,1,0,0|1,0,1]=4 26889 B11R1.465 CC1CCC(N1CCCF)C 2230a_100000687148_100011934791 [0,1,0,1,0,0|2,0,0]=4 26890 B11R1.465 CC1CCC(N1CCCF)C 269982a_100000687148_100011934791 [0,1,0,1,0,0|2,0,0]=4 26891 B11R1.465 CC1CCC(N1CCCF)C 34a_100000687148_100011934791 [0,1,0,1,0,0|2,0,0]=4 26892 B11R1.465 CC1CCC(N1CCCO)C 2230a_100000687148_100000230001 [0,1,0,1,0,0|1,0,0]=3 26893 B11R1.465 CC1CCC(N1CCCO)C 269982a_100000687148_100011215043 [0,1,0,1,0,0|1,0,0]=3 26894 B11R1.465 CC1CCC(N1CCCO)C 34a_100000687148_100000230001 [0,1,0,1,0,0|1,0,0]=3 26895 B11R1.465 CCCCN1C(CCC1C)C 2230a_100000687148_100000210211 [0,1,0,1,0,0|2,0,0]=4 26896 B11R1.465 CCCCN1C(CCC1C)C 269982a_100000687148_100000210211 [0,1,0,1,0,0|2,0,0]=4 26897 B11R1.465 CCCCN1C(CCC1C)C 34a_100000687148_100000210210 [0,1,0,1,0,0|2,0,0]=4 26898 B11R1.605 CC1CCCC(C1OCF)C 34a_100011218088_100015361967 [0,1,0,1,0,0|2,0,0]=4 26899 B11R1.605 CC1CCCC(C1OCF)C 7a_100011218088_100015361967 [0,1,0,1,0,0|2,0,0]=4 26900 B11R1.605 CC1CCCC(N1CCF)C 2230a_100000210447_100011217306 [0,1,0,1,0,0|2,0,0]=4 26901 B11R1.605 CC1CCCC(N1CCF)C 269982a_100000210447_100011217306 [0,1,0,1,0,0|2,0,0]=4 26902 B11R1.605 CC1CCCC(N1CCF)C 34a_100000210447_100011217306 [0,1,0,1,0,0|2,0,0]=4 26903 B11R1.605 CC1CCCC(N1CCO)C 2230a_100000210447_100000211926 [0,1,0,1,0,0|1,0,0]=3 26904 B11R1.605 CC1CCCC(N1CCO)C 269982a_100000210447_100000211926 [0,1,0,1,0,0|1,0,0]=3 26905 B11R1.605 CC1CCCC(N1CCO)C 34a_100000210447_100000211926 [0,1,0,1,0,0|1,0,0]=3 26906 B11R1.605 CCCN1C(CCCC1C)C 2230a_100000210447_100000210303 [0,1,0,1,0,0|2,0,0]=4 26907 B11R1.605 CCCN1C(CCCC1C)C 269982a_100000210447_100000210303 [0,1,0,1,0,0|2,0,0]=4 26908 B11R1.605 CCCN1C(CCCC1C)C 34a_100000210447_100000210303 [0,1,0,1,0,0|2,0,0]=4 26909 B11R1.605 CCNC1C(CCCC1C)C 269862a_100015525214_100000211995 [0,1,0,1,0,0|2,0,0]=4 26910 B11R1.605 CCOC1C(CCCC1C)C 34a_100011218088_100000210202 [0,1,0,1,0,0|2,0,0]=4 26911 B11R1.605 CCOC1C(CCCC1C)C 7a_100011218088_100000210202 [0,1,0,1,0,0|2,0,0]=4 26912 B11R1.605 C[C@@H]1COC[C@@H](N1CCO)C 2230a_100103153222_100000211926 [0,1,0,1,0,0|2,0,0]=4 26913 B11R1.605 C[C@@H]1COC[C@@H](N1CCO)C 269982a_100103153222_100000211926 [0,1,0,1,0,0|2,0,0]=4 26914 B11R1.605 C[C@@H]1COC[C@@H](N1CCO)C 34a_100103153222_100000211926 [0,1,0,1,0,0|2,0,0]=4 26915 B11R1.756 CC1(CCCC1)OCCCF 34a_100000751722_100011934791 [0,1,0,1,0,0|2,0,0]=4 26916 B11R1.756 CC1(CCCC1)OCCCF 7a_100000751722_100011934791 [0,1,0,1,0,0|2,0,0]=4 26917 B11R1.756 CC1(CCCC1)OCCCO 34a_100000751722_100000230001 [0,1,0,1,0,0|1,0,0]=3 26918 B11R1.756 CC1(CCCC1)OCCCO 7a_100000751722_100011215043 [0,1,0,1,0,0|1,0,0]=3 26919 B11R1.756 CC1(CCOC1)NCCCO 2230a_100000693475_100000230001 [0,1,0,1,0,0|2,0,0]=4 26920 B11R1.756 CC1(OCCO1)CCCS[13CH3] 62a_100000037737_200025704644 [0,1,0,1,0,0|2,0,0]=4 26921 B11R1.756 CC1(OCCO1)CCCS[13CH3] 62a_200025704644_100000037737 [0,1,0,1,0,0|2,0,0]=4 26922 B11R1.756 CCCCOC1(CCCC1)C 34a_100000751722_100000210210 [0,1,0,1,0,0|2,0,0]=4 26923 B11R1.756 CCCCOC1(CCCC1)C 7a_100000751722_100000210211 [0,1,0,1,0,0|2,0,0]=4 26924 B11R1.756 CCCNCC1(CCCC1)O 2230a_100000737848_100000210303 [0,1,0,1,0,0|2,0,0]=4 26925 B11R1.756 CCCNCC1(OCCO1)C 2230a_100000691740_100000210303 [0,1,0,1,0,0|2,0,0]=4 26926 B11R1.756 CCCOCC1(CCCC1)N 34a_100000749328_100000210303 [0,1,0,1,0,0|2,0,0]=4 26927 B11R1.756 CCCOC[C@@]1(CCCN1)C 34a_100016195882_100000210303 [0,1,0,1,0,0|2,0,0]=4 26928 B11R1.756 CCCSCC1(OCCO1)C 62a_100000210303_100009818610 [0,1,0,1,0,0|2,0,0]=4 26929 B11R1.756 CCCSCC1(OCCO1)C 62a_100009818610_100000210303 [0,1,0,1,0,0|2,0,0]=4 26930 B11R1.756 CCNCCC1(CCCC1)O 34a_100000719956_100000210202 [0,1,0,1,0,0|2,0,0]=4 26931 B11R1.756 CCNCCC1(OCCO1)C 2230a_100000073055_100000210202 [0,1,0,1,0,0|2,0,0]=4 26932 B11R1.756 CCNCCC1(OCCO1)C 2230a_100015525214_100000758764 [0,1,0,1,0,0|2,0,0]=4 26933 B11R1.756 CCOCCC1(OCCO1)C 34a_100121572206_100000758764 [0,1,0,1,0,0|2,0,0]=4 26934 B11R1.756 CCOCCC1(OCCO1)C 7a_100009861814_100000210202 [0,1,0,1,0,0|2,0,0]=4 26935 B11R1.756 CCSCCC1(OCCO1)C 62a_100000210202_100000758764 [0,1,0,1,0,0|2,0,0]=4 26936 B11R1.756 CCSCCC1(OCCO1)C 62a_100000758764_100000210202 [0,1,0,1,0,0|2,0,0]=4 26937 B11R1.756 CNCCCC1(OCCO1)C 2230a_106832991635_100000037737 [0,1,0,1,0,0|2,0,0]=4 26938 B11R1.756 CNCCCC1(OCCO1)C 34a_100102657272_100000037737 [0,1,0,1,0,0|2,0,0]=4 26939 B11R1.756 CNCCCC1(OCCO1)C 7a_106832991635_100000037737 [0,1,0,1,0,0|2,0,0]=4 26940 B11R1.756 COCCCC1(OCCO1)C 34a_100138415774_100000037737 [0,1,0,1,0,0|2,0,0]=4 26941 B11R1.756 CSCCCC1(OCCO1)C 62a_100000037737_200000210301 [0,1,0,1,0,0|2,0,0]=4 26942 B11R1.756 CSCCCC1(OCCO1)C 62a_200000210301_100000037737 [0,1,0,1,0,0|2,0,0]=4 26943 B11R1.756 C[C@]1(CCCN1)COCCO 34a_100016195882_100000211926 [0,1,0,1,0,0|2,0,0]=4 26944 B11R1.756 NC1(CCCC1)COCCF 34a_100000749328_100011217306 [0,1,0,1,0,0|2,0,0]=4 26945 B11R1.756 NC1(CCCC1)COCCO 34a_100000749328_100000211926 [0,1,0,1,0,0|1,0,0]=3 26946 B11R1.756 OC1(CCCC1)CCNCF 34a_100000719956_100015361967 [0,1,0,1,0,0|2,0,0]=4 26947 B11R1.756 OC1(CCCC1)CNCCF 2230a_100000737848_100011217306 [0,1,0,1,0,0|2,0,0]=4 26948 B11R1.756 OCCNCC1(CCCC1)O 2230a_100000737848_100000211926 [0,1,0,1,0,0|1,0,0]=3 26949 B11R1.900 CC1(CCCCC1)CNCF 34a_100000706052_100015361967 [0,1,0,1,0,0|2,0,0]=4 26950 B11R1.900 CC1(CCCCC1)COCF 34a_100000688186_100015361967 [0,1,0,1,0,0|2,0,0]=4 26951 B11R1.900 CC1(CCCCC1)COCF 7a_100000688186_100015361967 [0,1,0,1,0,0|2,0,0]=4 26952 B11R1.900 CC1(CCCCC1)NCCF 2230a_100000741114_100011217306 [0,1,0,1,0,0|2,0,0]=4 26953 B11R1.900 CC1(CCCCC1)NCCF 34a_100000741114_100011217306 [0,1,0,1,0,0|2,0,0]=4 26954 B11R1.900 CC1(CCCCC1)NCCO 2230a_100000741114_100000211926 [0,1,0,1,0,0|1,0,0]=3 26955 B11R1.900 CC1(CCCCC1)NCCO 34a_100000741114_100000211926 [0,1,0,1,0,0|1,0,0]=3 26956 B11R1.900 CC1(CCCCC1)OCCF 34a_100011215885_100011217306 [0,1,0,1,0,0|2,0,0]=4 26957 B11R1.900 CC1(CCCCC1)OCCF 7a_100011215885_100011217306 [0,1,0,1,0,0|2,0,0]=4 26958 B11R1.900 CC1(CCCCC1)OCCO 34a_100011215885_100000211926 [0,1,0,1,0,0|1,0,0]=3 26959 B11R1.900 CC1(CCCCC1)OCCO 7a_100011215885_100000211926 [0,1,0,1,0,0|1,0,0]=3 26960 B11R1.900 CC1(CCOCC1)NCCO 2230a_100000692449_100000211926 [0,1,0,1,0,0|2,0,0]=4 26961 B11R1.900 CC1(CCOCC1)NCCO 34a_100000692449_100000211926 [0,1,0,1,0,0|2,0,0]=4 26962 B11R1.900 CC1(CCOCC1)OCCO 34a_100011827762_100000211926 [0,1,0,1,0,0|2,0,0]=4 26963 B11R1.900 CC1(CCOCC1)OCCO 7a_100011827762_100000211926 [0,1,0,1,0,0|2,0,0]=4 26964 B11R1.900 CC1(CCSCC1)OCCO 34a_200011004327_100000211926 [0,1,0,1,0,0|2,0,0]=4 26965 B11R1.900 CC1(CCSCC1)OCCO 7a_200011004327_100000211926 [0,1,0,1,0,0|2,0,0]=4 26966 B11R1.900 CCCNC1(CCCCC1)C 2230a_100000741114_100000210303 [0,1,0,1,0,0|2,0,0]=4 26967 B11R1.900 CCCNC1(CCCCC1)C 34a_100000741114_100000210303 [0,1,0,1,0,0|2,0,0]=4 26968 B11R1.900 CCCOC1(CCCCC1)C 34a_100011215885_100000210303 [0,1,0,1,0,0|2,0,0]=4 26969 B11R1.900 CCCOC1(CCCCC1)C 7a_100011215885_100000210303 [0,1,0,1,0,0|2,0,0]=4 26970 B11R1.900 CCNCC1(CCCCC1)C 2230a_100000706052_100000210202 [0,1,0,1,0,0|2,0,0]=4 26971 B11R1.900 CCNCC1(CCCCC1)C 269862a_100015525214_100011935227 [0,1,0,1,0,0|2,0,0]=4 26972 B11R1.900 CCNCC1(CCCCC1)C 34a_100000706052_100000210202 [0,1,0,1,0,0|2,0,0]=4 26973 B11R1.900 CCNCC1(CCCCC1)O 2230a_100000748649_100000210202 [0,1,0,1,0,0|2,0,0]=4 26974 B11R1.900 CCNCC1(CCCCC1)O 34a_100000748649_100000210202 [0,1,0,1,0,0|2,0,0]=4 26975 B11R1.900 CCOCC1(CCCCC1)C 34a_100000688186_100000210202 [0,1,0,1,0,0|2,0,0]=4 26976 B11R1.900 CCOCC1(CCCCC1)C 7a_100000688186_100000210202 [0,1,0,1,0,0|2,0,0]=4 26977 B11R1.900 CCOCC1(CCCCC1)F 34a_100000090305_100000210202 [0,1,0,1,0,0|2,0,0]=4 26978 B11R1.900 CCOCC1(CCCCC1)F 7a_100000090305_100000210202 [0,1,0,1,0,0|2,0,0]=4 26979 B11R1.900 CCOCC1(CCCCC1)N 34a_100000740034_100000210202 [0,1,0,1,0,0|2,0,0]=4 26980 B11R1.900 CNCCC1(CCCCC1)O 2230a_100102740465_200000210301 [0,1,0,1,0,0|2,0,0]=4 26981 B11R1.900 CNCCC1(CCCCC1)O 34a_100102740465_200000210301 [0,1,0,1,0,0|2,0,0]=4 26982 B11R1.900 FCOCC1(CCCCC1)F 34a_100000090305_100015361967 [0,1,0,1,0,0|2,0,0]=4 26983 B11R1.900 FCOCC1(CCCCC1)F 7a_100000090305_100015361967 [0,1,0,1,0,0|2,0,0]=4 26984 B11R1.900 NC1(CCCCC1)COCF 34a_100000740034_100015361967 [0,1,0,1,0,0|2,0,0]=4 26985 B11R1.900 OC1(CCCCC1)CNCF 34a_100000748649_100015361967 [0,1,0,1,0,0|2,0,0]=4 26986 B11R1.900 [13CH3]NCCC1(CCCCC1)O 2230a_100102740465_200025704644 [0,1,0,1,0,0|2,0,0]=4 26987 B11R1.900 [13CH3]NCCC1(CCCCC1)O 34a_100102740465_200025704644 [0,1,0,1,0,0|2,0,0]=4 26988 B11R1.1034 CC1CC1C(=O)CCCCF 1458a_100000211227_100000729493 [0,1,0,1,0,0|1,0,1]=4 26989 B11R1.1034 CC1CC1C(=O)CCCCO 1458a_100000211227_100000210776 [0,1,0,1,0,0|0,0,1]=3 26990 B11R1.1034 CC1CC1C(=O)NCCCO 527a_100000182051_100000211227 [0,1,0,1,0,0|1,0,1]=4 26991 B11R1.1034 CCCCCC(=O)C1CC1C 1458a_100000211227_100000210326 [0,1,0,1,0,0|1,0,1]=4 26992 B11R1.1034 CCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210326 [0,1,0,1,0,0|1,0,1]=4 26993 B11R1.1034 O=C(CCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210776 [0,1,0,1,0,0|1,0,1]=4 26994 B11R1.1133 CCCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000210303 [0,1,0,1,0,0|2,0,0]=4 26995 B11R1.1133 C[C@]1(CCC[C@H]1N)OCCO 34a_100015977457_100000211926 [0,1,0,1,0,0|2,0,0]=4 26996 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 26997 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 26998 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 26999 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 27000 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 27001 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 34a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 27002 B11R2.55 CC1CCCCN1C2CC2 269982a_100000211376_100000211595 [0,0,0,2,0,0|2,0,0]=4 27003 B11R2.55 CC1CCCCN1C2CC2 34a_100000211376_100000211595 [0,0,0,2,0,0|2,0,0]=4 27004 B11R2.248 CCCN1CC2CCC1C2 2230a_100000743476_100000210303 [0,0,0,2,0,0|2,0,0]=4 27005 B11R2.248 CCCN1CC2CCC1C2 269982a_100000743476_100000210303 [0,0,0,2,0,0|2,0,0]=4 27006 B11R2.248 CCCN1CC2CCC1C2 34a_100000743476_100000210303 [0,0,0,2,0,0|2,0,0]=4 27007 B11R2.248 CCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000210303 [0,0,0,2,0,0|1,0,0]=3 27008 B11R2.248 CCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000210303 [0,0,0,2,0,0|1,0,0]=3 27009 B11R2.248 CCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000210303 [0,0,0,2,0,0|1,0,0]=3 27010 B11R2.248 CCNC1CC2CCC1C2 2230a_100000758229_100000210202 [0,0,0,2,0,0|2,0,0]=4 27011 B11R2.248 CCNC1CC2CCC1C2 269862a_100015525214_100000223372 [0,0,0,2,0,0|2,0,0]=4 27012 B11R2.248 CCNC1CC2CCC1C2 270004a_100015525214_100000223372 [0,0,0,2,0,0|2,0,0]=4 27013 B11R2.248 CCNC1CC2CCC1C2 34a_100000758229_100000210202 [0,0,0,2,0,0|2,0,0]=4 27014 B11R2.248 CCOC1CC2CCC1C2 34a_100000211339_100000210202 [0,0,0,2,0,0|2,0,0]=4 27015 B11R2.248 CCOC1CC2CCC1C2 34a_100121572206_100000727232 [0,0,0,2,0,0|2,0,0]=4 27016 B11R2.248 CCSC1CC2CCC1C2 62a_100000210202_100000727232 [0,0,0,2,0,0|2,0,0]=4 27017 B11R2.248 CCSC1CC2CCC1C2 62a_100000727232_100000210202 [0,0,0,2,0,0|2,0,0]=4 27018 B11R2.248 CNCC1CC2CCC1C2 269862a_106832991636_100000697602 [0,0,0,2,0,0|2,0,0]=4 27019 B11R2.248 CNCC1CC2CCC1C2 270004a_106832991635_100000697602 [0,0,0,2,0,0|2,0,0]=4 27020 B11R2.248 COCC1CC2CCC1C2 34a_100000229996_200000210301 [0,0,0,2,0,0|2,0,0]=4 27021 B11R2.248 COCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000766300 [0,0,0,2,0,0|2,0,0]=4 27022 B11R2.248 COCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000766300 [0,0,0,2,0,0|2,0,0]=4 27023 B11R2.248 CSCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100011218213 [0,0,0,2,0,0|2,0,0]=4 27024 B11R2.248 CSCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100011218213 [0,0,0,2,0,0|2,0,0]=4 27025 B11R2.248 CSCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100011218213 [0,0,0,2,0,0|2,0,0]=4 27026 B11R2.248 FCCN1CC2CCC1C2 2230a_100000743476_100011217306 [0,0,0,2,0,0|2,0,0]=4 27027 B11R2.248 FCCN1CC2CCC1C2 269982a_100000743476_100011217306 [0,0,0,2,0,0|2,0,0]=4 27028 B11R2.248 FCCN1CC2CCC1C2 34a_100000743476_100011217306 [0,0,0,2,0,0|2,0,0]=4 27029 B11R2.248 FCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100011217306 [0,0,0,2,0,0|2,0,0]=4 27030 B11R2.248 FCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100011217306 [0,0,0,2,0,0|2,0,0]=4 27031 B11R2.248 FCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100011217306 [0,0,0,2,0,0|2,0,0]=4 27032 B11R2.248 FCNC1CC2CCC1C2 34a_100000758229_100015361967 [0,0,0,2,0,0|2,0,0]=4 27033 B11R2.248 FCOC1CC2CCC1C2 34a_100000211339_100015361967 [0,0,0,2,0,0|2,0,0]=4 27034 B11R2.248 FCSC1CC2CCC1C2 62a_100000727232_100015361967 [0,0,0,2,0,0|2,0,0]=4 27035 B11R2.248 FCSC1CC2CCC1C2 62a_100015361967_100000727232 [0,0,0,2,0,0|2,0,0]=4 27036 B11R2.248 OCCN1CC2CCC1C2 2230a_100000743476_100000211926 [0,0,0,2,0,0|1,0,0]=3 27037 B11R2.248 OCCN1CC2CCC1C2 269982a_100000743476_100000211926 [0,0,0,2,0,0|1,0,0]=3 27038 B11R2.248 OCCN1CC2CCC1C2 34a_100000743476_100000211926 [0,0,0,2,0,0|1,0,0]=3 27039 B11R2.248 OCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000211926 [0,0,0,2,0,0|2,0,0]=4 27040 B11R2.248 OCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000211926 [0,0,0,2,0,0|2,0,0]=4 27041 B11R2.248 OCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000211926 [0,0,0,2,0,0|2,0,0]=4 27042 B11R2.248 [13CH3]OCC1CC2CCC1C2 34a_100000229996_200025704644 [0,0,0,2,0,0|2,0,0]=4 27043 B11R2.641 CCNC1CCCC2C1C2 269862a_100015525214_100000697651 [0,0,0,2,0,0|2,0,0]=4 27044 B11R2.76 CCCN1C2CCC1CC2 2230a_100000735658_100000210303 [0,0,0,2,0,0|2,0,0]=4 27045 B11R2.76 CCCN1C2CCC1CC2 269982a_100000735658_100000210303 [0,0,0,2,0,0|2,0,0]=4 27046 B11R2.76 CCCN1C2CCC1CC2 34a_100000735658_100000210303 [0,0,0,2,0,0|2,0,0]=4 27047 B11R2.76 CCOC1C2CCC1CC2 34a_100121572206_100009813300 [0,0,0,2,0,0|2,0,0]=4 27048 B11R2.76 CCSC1C2CCC1CC2 62a_100000210202_100009813300 [0,0,0,2,0,0|2,0,0]=4 27049 B11R2.76 CCSC1C2CCC1CC2 62a_100009813300_100000210202 [0,0,0,2,0,0|2,0,0]=4 27050 B11R2.76 FCCN1C2CCC1CC2 2230a_100000735658_100011217306 [0,0,0,2,0,0|2,0,0]=4 27051 B11R2.76 FCCN1C2CCC1CC2 269982a_100000735658_100011217306 [0,0,0,2,0,0|2,0,0]=4 27052 B11R2.76 FCCN1C2CCC1CC2 34a_100000735658_100011217306 [0,0,0,2,0,0|2,0,0]=4 27053 B11R2.76 FCSC1C2CCC1CC2 62a_100009813300_100015361967 [0,0,0,2,0,0|2,0,0]=4 27054 B11R2.76 FCSC1C2CCC1CC2 62a_100015361967_100009813300 [0,0,0,2,0,0|2,0,0]=4 27055 B11R2.76 OCCN1C2CCC1CC2 2230a_100000735658_100000211926 [0,0,0,2,0,0|1,0,0]=3 27056 B11R2.76 OCCN1C2CCC1CC2 269982a_100000735658_100000211926 [0,0,0,2,0,0|1,0,0]=3 27057 B11R2.76 OCCN1C2CCC1CC2 34a_100000735658_100000211926 [0,0,0,2,0,0|1,0,0]=3 27058 B11R2.143 CCCN1CCCC12CC2 2230a_100020620911_100000210303 [0,0,0,2,0,0|2,0,0]=4 27059 B11R2.143 CCCN1CCCC12CC2 269982a_100020620911_100000210303 [0,0,0,2,0,0|2,0,0]=4 27060 B11R2.143 CCCN1CCCC12CC2 34a_100020620911_100000210303 [0,0,0,2,0,0|2,0,0]=4 27061 B11R2.143 CCNC1CCCC12CC2 269862a_100015525214_100009881796 [0,0,0,2,0,0|2,0,0]=4 27062 B11R2.143 FCCN1CCCC12CC2 2230a_100020620911_100011217306 [0,0,0,2,0,0|2,0,0]=4 27063 B11R2.143 FCCN1CCCC12CC2 269982a_100020620911_100011217306 [0,0,0,2,0,0|2,0,0]=4 27064 B11R2.143 FCCN1CCCC12CC2 34a_100020620911_100011217306 [0,0,0,2,0,0|2,0,0]=4 27065 B11R2.143 OCCN1CCCC12CC2 2230a_100020620911_100000211926 [0,0,0,2,0,0|1,0,0]=3 27066 B11R2.143 OCCN1CCCC12CC2 269982a_100020620911_100000211926 [0,0,0,2,0,0|1,0,0]=3 27067 B11R2.143 OCCN1CCCC12CC2 34a_100020620911_100000211926 [0,0,0,2,0,0|1,0,0]=3 27068 B11R2.191 CO[C@H]1CO[C@@H]2[C@H]1CCO2 34a_100015698664_200000210301 [0,0,0,2,0,0|2,0,0]=4 27069 B11R2.191 CO[C@H]1CO[C@@H]2[C@H]1CCO2 7a_100015698664_200000210301 [0,0,0,2,0,0|2,0,0]=4 27070 B11R2.191 [13CH3]O[C@H]1CO[C@@H]2[C@H]1CCO2 34a_100015698664_200025704644 [0,0,0,2,0,0|2,0,0]=4 27071 B11R2.191 [13CH3]O[C@H]1CO[C@@H]2[C@H]1CCO2 7a_100015698664_200025704644 [0,0,0,2,0,0|2,0,0]=4 27072 B11R2.216 CCC1CCCN1C2CC2 269982a_100000754278_100000211595 [0,0,0,2,0,0|2,0,0]=4 27073 B11R2.216 CCC1CCCN1C2CC2 34a_100000754278_100000211595 [0,0,0,2,0,0|2,0,0]=4 27074 B11R2.216 CCN1CCCC1C2CC2 2230a_200000757794_100000210202 [0,0,0,2,0,0|2,0,0]=4 27075 B11R2.216 CCN1CCCC1C2CC2 269982a_200000757794_100000204670 [0,0,0,2,0,0|2,0,0]=4 27076 B11R2.216 CCN1CCCC1C2CC2 34a_200000757794_100000210202 [0,0,0,2,0,0|2,0,0]=4 27077 B11R2.216 FCN1CCCC1C2CC2 269982a_200000757794_100015361967 [0,0,0,2,0,0|2,0,0]=4 27078 B11R2.216 FCN1CCCC1C2CC2 34a_200000757794_100015361967 [0,0,0,2,0,0|2,0,0]=4 27079 B11R2.216 OC[C@H]1CCCN1C2CC2 269982a_100000745186_100000211595 [0,0,0,2,0,0|1,0,0]=3 27080 B11R2.216 OC[C@H]1CCCN1C2CC2 34a_100000745186_100000211595 [0,0,0,2,0,0|1,0,0]=3 27081 B11R2.157 CCCCN1CC2CC2C1 2230a_100000741873_100000210211 [0,0,0,2,0,0|2,0,0]=4 27082 B11R2.157 CCCCN1CC2CC2C1 269982a_100000741873_100000210211 [0,0,0,2,0,0|2,0,0]=4 27083 B11R2.157 CCCCN1CC2CC2C1 34a_100000741873_100000210210 [0,0,0,2,0,0|2,0,0]=4 27084 B11R2.157 CCCNC1CC2CC2C1 270004a_100020643023_100010340937 [0,0,0,2,0,0|2,0,0]=4 27085 B11R2.157 FCCCN1CC2CC2C1 2230a_100000741873_100011934791 [0,0,0,2,0,0|2,0,0]=4 27086 B11R2.157 FCCCN1CC2CC2C1 269982a_100000741873_100011934791 [0,0,0,2,0,0|2,0,0]=4 27087 B11R2.157 FCCCN1CC2CC2C1 34a_100000741873_100011934791 [0,0,0,2,0,0|2,0,0]=4 27088 B11R2.157 OCCCN1CC2CC2C1 2230a_100000741873_100000230001 [0,0,0,2,0,0|1,0,0]=3 27089 B11R2.157 OCCCN1CC2CC2C1 269982a_100000741873_100011215043 [0,0,0,2,0,0|1,0,0]=3 27090 B11R2.157 OCCCN1CC2CC2C1 34a_100000741873_100000230001 [0,0,0,2,0,0|1,0,0]=3 27091 B11R2.157 OCCNC1CC2CC2C1 270004a_100000210304_100010340937 [0,0,0,2,0,0|1,0,0]=3 27092 B11R2.164 CCN1CC2CCC1CC2 2230a_100000750499_100000210202 [0,0,0,2,0,0|2,0,0]=4 27093 B11R2.164 CCN1CC2CCC1CC2 269982a_100000750499_100000204670 [0,0,0,2,0,0|2,0,0]=4 27094 B11R2.164 CCN1CC2CCC1CC2 34a_100000750499_100000210202 [0,0,0,2,0,0|2,0,0]=4 27095 B11R2.164 FCN1CC2CCC1CC2 269982a_100000750499_100015361967 [0,0,0,2,0,0|2,0,0]=4 27096 B11R2.164 FCN1CC2CCC1CC2 34a_100000750499_100015361967 [0,0,0,2,0,0|2,0,0]=4 27097 B11R2.238 C1CCC(CC1)NC2CC2 34a_100000182618_100000211595 [0,0,0,2,0,0|2,0,0]=4 27098 B11R2.238 C1CCC(CC1)NC2CC2 34a_100000212008_100000210327 [0,0,0,2,0,0|2,0,0]=4 27099 B11R2.238 C1CCC(CC1)OC2CC2 34a_100000210231_100000211595 [0,0,0,2,0,0|2,0,0]=4 27100 B11R2.238 C1CCC(CC1)SC2CC2 62a_100000210327_100000211595 [0,0,0,2,0,0|2,0,0]=4 27101 B11R2.238 C1CCC(OC1)OC2CC2 34a_100000033831_100000211595 [0,0,0,2,0,0|1,0,0]=3 27102 B11R2.238 C1CN(CCO1)CC2CO2 2230a_100015191051_100011216344 [0,0,0,2,0,0|2,0,0]=4 27103 B11R2.238 C1CN(CCO1)CC2CO2 269982a_100015191051_102125554688 [0,0,0,2,0,0|2,0,0]=4 27104 B11R2.238 C1CN(CCO1)CC2CO2 34a_100015191051_102125554688 [0,0,0,2,0,0|2,0,0]=4 27105 B11R2.238 C1CN(CCO1)C[C@@H]2CO2 269982a_100015191051_100000745022 [0,0,0,2,0,0|2,0,0]=4 27106 B11R2.238 C1CN(CCS1)CC2CO2 2230a_100000737611_100011216344 [0,0,0,2,0,0|2,0,0]=4 27107 B11R2.238 C1CN(CCS1)CC2CO2 269982a_100000737611_102125554688 [0,0,0,2,0,0|2,0,0]=4 27108 B11R2.238 C1CN(CCS1)C[C@@H]2CO2 269982a_100000737611_100000745022 [0,0,0,2,0,0|2,0,0]=4 27109 B11R2.238 C1COCN(C1)CC2CO2 2230a_100000131196_100011216344 [0,0,0,2,0,0|2,0,0]=4 27110 B11R2.238 C1COCN(C1)CC2CO2 269982a_100000131196_102125554688 [0,0,0,2,0,0|2,0,0]=4 27111 B11R2.238 C1COCN(C1)CC2CO2 34a_100000131196_102125554688 [0,0,0,2,0,0|2,0,0]=4 27112 B11R2.238 C1COCN(C1)C[C@@H]2CO2 269982a_100000131196_100000745022 [0,0,0,2,0,0|2,0,0]=4 27113 B11R2.239 C1CCC(CC1)N2CCC2 269982a_100000754969_100000210327 [0,0,0,2,0,0|2,0,0]=4 27114 B11R2.258 OCCNC1C2C1COC2 2230a_100000702821_100000211926 [0,0,0,2,0,0|2,0,0]=4 27115 B11R2.258 OCCNC1C2C1COC2 34a_100000702821_100000211926 [0,0,0,2,0,0|2,0,0]=4 27116 B11R2.927 CCCNC1CCC2C1C2 269862a_100020643023_100000692480 [0,0,0,2,0,0|2,0,0]=4 27117 B11R2.927 CCCNC1CCC2C1C2 270004a_100020643023_100000692480 [0,0,0,2,0,0|2,0,0]=4 27118 B11R2.927 CCCOC1CCC2C1C2 34a_200012295571_100000210303 [0,0,0,2,0,0|2,0,0]=4 27119 B11R2.927 FCCNC1CCC2C1C2 269862a_100000724931_100000692480 [0,0,0,2,0,0|2,0,0]=4 27120 B11R2.927 FCCOC1CCC2C1C2 34a_200012295571_100011217306 [0,0,0,2,0,0|2,0,0]=4 27121 B11R2.927 OCCNC1CCC2C1C2 269862a_100000210304_100000692480 [0,0,0,2,0,0|1,0,0]=3 27122 B11R2.927 OCCNC1CCC2C1C2 270004a_100000210304_100000692480 [0,0,0,2,0,0|1,0,0]=3 27123 B11R2.927 OCCOC1CCC2C1C2 34a_200012295571_100000211926 [0,0,0,2,0,0|1,0,0]=3 27124 B11R2.2 C1CCC(C1)N2CCCC2 2230a_100000188435_100000179811 [0,0,0,2,0,0|2,0,0]=4 27125 B11R2.2 C1CCC(C1)N2CCCC2 269982a_100000188435_100000179811 [0,0,0,2,0,0|2,0,0]=4 27126 B11R2.2 C1CCC(C1)N2CCCC2 270004a_100000188435_100000210133 [0,0,0,2,0,0|2,0,0]=4 27127 B11R2.5 F[C@@H]1C[C@H]1NC2CCCC2 2230a_100025746932_100000179811 [0,0,0,2,0,0|2,0,0]=4 27128 B11R2.5 F[C@@H]1C[C@H]1NC2CCCC2 34a_100025746932_100000179811 [0,0,0,2,0,0|2,0,0]=4 27129 B11R2.5 F[C@H]1C[C@H]1NC2CCCC2 2230a_100015190264_100000179811 [0,0,0,2,0,0|2,0,0]=4 27130 B11R2.7 CC1CCN1C2CCCC2 269982a_100000755817_100000179811 [0,0,0,2,0,0|2,0,0]=4 27131 B11R2.7 CC1CCN1C2CCCC2 34a_100000755817_100000179811 [0,0,0,2,0,0|2,0,0]=4 27132 B11R2.237 C1CC(C1)CN2CCCC2 2230a_100000188435_100000763275 [0,0,0,2,0,0|2,0,0]=4 27133 B11R2.237 C1CC(C1)CN2CCCC2 269982a_100000188435_100000763275 [0,0,0,2,0,0|2,0,0]=4 27134 B11R2.237 C1CC(C1)OC2CCCO2 34a_100000085407_100000749161 [0,0,0,2,0,0|1,0,0]=3 27135 B11R2.237 C1CC(O1)CN2CCSC2 2230a_100011215254_100000103362 [0,0,0,2,0,0|2,0,0]=4 27136 B11R2.237 C1CC(O1)CN2CCSC2 269982a_100011215254_100000103362 [0,0,0,2,0,0|2,0,0]=4 27137 B11R2.237 C1CCC(C1)CN2CCC2 269982a_100000754969_100000740388 [0,0,0,2,0,0|2,0,0]=4 27138 B11R2.237 C1CCC(C1)NC2CCC2 2230a_100000749019_100000179811 [0,0,0,2,0,0|2,0,0]=4 27139 B11R2.237 C1CCC(C1)NC2CCC2 270004a_100000211070_100000241760 [0,0,0,2,0,0|2,0,0]=4 27140 B11R2.237 C1CCC(C1)NC2CCC2 34a_100000211070_100000749161 [0,0,0,2,0,0|2,0,0]=4 27141 B11R2.237 C1CCC(C1)NC2CCC2 34a_100000749019_100000179811 [0,0,0,2,0,0|2,0,0]=4 27142 B11R2.237 C1CCC(C1)OC2CCC2 34a_100000210269_100000749161 [0,0,0,2,0,0|2,0,0]=4 27143 B11R2.237 C1CCC(C1)OC2CCC2 34a_100000748187_100000179811 [0,0,0,2,0,0|2,0,0]=4 27144 B11R2.237 C1CCC(C1)SC2CCC2 62a_100011217020_100000749161 [0,0,0,2,0,0|2,0,0]=4 27145 B11R2.237 C1CCN(C1)CC2CCO2 2230a_100000188435_100000103362 [0,0,0,2,0,0|1,0,0]=3 27146 B11R2.237 C1CCN(C1)CC2CCO2 269982a_100000188435_100000103362 [0,0,0,2,0,0|1,0,0]=3 27147 B11R2.237 C1CN(C1)CC2OCCO2 269982a_100000754969_100000755774 [0,0,0,2,0,0|2,0,0]=4 27148 B11R2.237 C1COC(C1)CN2CCC2 269982a_100000754969_100000183445 [0,0,0,2,0,0|1,0,0]=3 27149 B11R2.237 C1COC(C1)OC2COC2 34a_100000085407_100009818527 [0,0,0,2,0,0|2,0,0]=4 27150 B11R2.385 C1CC(CO1)OC[C@@H]2CO2 34a_100000757423_100000690089 [0,0,0,2,0,0|2,0,0]=4 27151 B11R2.385 C1CC(CO1)SCC2CO2 62a_102125554688_100000690089 [0,0,0,2,0,0|2,0,0]=4 27152 B11R2.385 C1CC(CO1)SC[C@@H]2CO2 62a_100000745022_100000690089 [0,0,0,2,0,0|2,0,0]=4 27153 B11R2.385 C1CC(CS1)OCC2CO2 7a_100011232664_102125554688 [0,0,0,2,0,0|2,0,0]=4 27154 B11R2.385 C1CC(CS1)OC[C@@H]2CO2 7a_100011232664_100000745022 [0,0,0,2,0,0|2,0,0]=4 27155 B11R2.385 C1CCC(C1)CNC2CC2 34a_100000212008_100000740388 [0,0,0,2,0,0|2,0,0]=4 27156 B11R2.385 C1CCC(C1)CNC2CC2 34a_100000737975_100000211595 [0,0,0,2,0,0|2,0,0]=4 27157 B11R2.385 C1CCC(C1)COC2CC2 34a_100000742336_100000211595 [0,0,0,2,0,0|2,0,0]=4 27158 B11R2.385 C1CCC(C1)CSC2CC2 62a_100000740388_100000211595 [0,0,0,2,0,0|2,0,0]=4 27159 B11R2.385 C1CCC(C1)NCC2CC2 2230a_100000211070_100000742324 [0,0,0,2,0,0|2,0,0]=4 27160 B11R2.385 C1CCC(C1)NCC2CC2 2230a_100000735609_100000179811 [0,0,0,2,0,0|2,0,0]=4 27161 B11R2.385 C1CCC(C1)NCC2CC2 269862a_100000211070_100000741477 [0,0,0,2,0,0|2,0,0]=4 27162 B11R2.385 C1CCC(C1)NCC2CC2 270004a_100000735609_100000210133 [0,0,0,2,0,0|2,0,0]=4 27163 B11R2.385 C1CCC(C1)NCC2CC2 34a_100000211070_100000742324 [0,0,0,2,0,0|2,0,0]=4 27164 B11R2.385 C1CCC(C1)NCC2CC2 34a_100000735609_100000179811 [0,0,0,2,0,0|2,0,0]=4 27165 B11R2.385 C1CCC(C1)NCC2CO2 2230a_100000211070_100011216344 [0,0,0,2,0,0|1,0,0]=3 27166 B11R2.385 C1CCC(C1)NCC2CO2 34a_100000211070_102125554688 [0,0,0,2,0,0|1,0,0]=3 27167 B11R2.385 C1CCC(C1)OCC2CC2 34a_100000210269_100000742324 [0,0,0,2,0,0|2,0,0]=4 27168 B11R2.385 C1CCC(C1)OCC2CC2 34a_100000211283_100000179811 [0,0,0,2,0,0|2,0,0]=4 27169 B11R2.385 C1CCC(C1)OCC2CC2 7a_100000210269_100000742324 [0,0,0,2,0,0|2,0,0]=4 27170 B11R2.385 C1CCC(C1)OCC2CO2 34a_100000210269_102125554688 [0,0,0,2,0,0|1,0,0]=3 27171 B11R2.385 C1CCC(C1)OCC2CO2 7a_100000210269_102125554688 [0,0,0,2,0,0|1,0,0]=3 27172 B11R2.385 C1CCC(C1)OCC2CS2 7a_100000210269_100000031435 [0,0,0,2,0,0|1,1,0]=4 27173 B11R2.385 C1CCC(C1)OC[C@@H]2CO2 34a_100000757423_100000179811 [0,0,0,2,0,0|1,0,0]=3 27174 B11R2.385 C1CCC(C1)OC[C@@H]2CO2 7a_100000210269_100000745022 [0,0,0,2,0,0|1,0,0]=3 27175 B11R2.385 C1CCC(C1)SCC2CC2 62a_100000756562_100000179811 [0,0,0,2,0,0|2,0,0]=4 27176 B11R2.385 C1CCC(C1)SCC2CC2 62a_100011217020_100000742324 [0,0,0,2,0,0|2,0,0]=4 27177 B11R2.385 C1CCC(C1)SCC2CO2 62a_100011217020_102125554688 [0,0,0,2,0,0|1,0,0]=3 27178 B11R2.385 C1CCC(C1)SCC2CO2 62a_102125554688_100000179811 [0,0,0,2,0,0|1,0,0]=3 27179 B11R2.385 C1CCC(C1)SCC2CS2 62a_100000031435_100000179811 [0,0,0,2,0,0|1,1,0]=4 27180 B11R2.385 C1CCC(C1)SCC2CS2 62a_100011217020_100000031435 [0,0,0,2,0,0|1,1,0]=4 27181 B11R2.385 C1CCC(C1)SC[C@@H]2CO2 62a_100000745022_100000179811 [0,0,0,2,0,0|1,0,0]=3 27182 B11R2.385 C1CCC(C1)SC[C@@H]2CO2 62a_100011217020_100000745022 [0,0,0,2,0,0|1,0,0]=3 27183 B11R2.385 C1CCN(C1)CCC2CC2 2230a_100000188435_100000694398 [0,0,0,2,0,0|2,0,0]=4 27184 B11R2.385 C1CCN(C1)CCC2CC2 269982a_100000188435_100000694398 [0,0,0,2,0,0|2,0,0]=4 27185 B11R2.385 C1CCN(C1)CCC2CO2 2230a_100000188435_100000732470 [0,0,0,2,0,0|1,0,0]=3 27186 B11R2.385 C1CCN(C1)CCC2CO2 269982a_100000188435_100000732470 [0,0,0,2,0,0|1,0,0]=3 27187 B11R2.385 C1CN(CS1)CCC2CO2 2230a_100011215254_100000732470 [0,0,0,2,0,0|2,0,0]=4 27188 B11R2.385 C1CN(CS1)CCC2CO2 269982a_100011215254_100000732470 [0,0,0,2,0,0|2,0,0]=4 27189 B11R2.385 C1CN[C@H](C1)COC2CC2 34a_100000745186_100000211595 [0,0,0,2,0,0|2,0,0]=4 27190 B11R2.385 C1COC(C1)COC2CC2 34a_100000210270_100000211595 [0,0,0,2,0,0|1,0,0]=3 27191 B11R2.385 C1COC(C1)CSC2CC2 62a_100000203698_100000211595 [0,0,0,2,0,0|1,0,0]=3 27192 B11R2.385 C1COC(C1)OCC2CC2 34a_100000085407_100000742324 [0,0,0,2,0,0|1,0,0]=3 27193 B11R2.385 C1COC(C1)OCC2CO2 34a_100000085407_102125554688 [0,0,0,2,0,0|2,0,0]=4 27194 B11R2.385 C1COC(O1)CNC2CC2 34a_100000036311_100000211595 [0,0,0,2,0,0|2,0,0]=4 27195 B11R2.385 C1COC(O1)CNC2CC2 34a_100000212008_100000755774 [0,0,0,2,0,0|2,0,0]=4 27196 B11R2.385 C1COC(O1)COC2CC2 34a_100000087154_100000211595 [0,0,0,2,0,0|2,0,0]=4 27197 B11R2.385 C1COC(O1)CSC2CC2 62a_100000755774_100000211595 [0,0,0,2,0,0|2,0,0]=4 27198 B11R2.385 C1CO[C@@H](C1)CNC2CC2 34a_100020590478_100000211595 [0,0,0,2,0,0|1,0,0]=3 27199 B11R2.385 C1C[C@@H](CO1)NCC2CO2 2230a_100015188467_100011216344 [0,0,0,2,0,0|2,0,0]=4 27200 B11R2.385 C1C[C@@H](CO1)NCC2CO2 34a_100015188467_102125554688 [0,0,0,2,0,0|2,0,0]=4 27201 B11R2.385 C1C[C@@H](CO1)OCC2CO2 34a_100000717292_102125554688 [0,0,0,2,0,0|2,0,0]=4 27202 B11R2.385 C1C[C@H](CO1)NCC2CO2 2230a_200015188469_100011216344 [0,0,0,2,0,0|2,0,0]=4 27203 B11R2.385 C1OCC(O1)COC2CC2 34a_100011216627_100000211595 [0,0,0,2,0,0|2,0,0]=4 27204 B11R2.15 CCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000210202 [0,0,0,2,0,0|2,0,0]=4 27205 B11R2.15 CCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000204670 [0,0,0,2,0,0|2,0,0]=4 27206 B11R2.15 CCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000210202 [0,0,0,2,0,0|2,0,0]=4 27207 B11R2.15 FCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100015361967 [0,0,0,2,0,0|2,0,0]=4 27208 B11R2.15 FCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100015361967 [0,0,0,2,0,0|2,0,0]=4 27209 B11R2.115 CC1CCCC1OC2CC2 34a_100011216460_100000211595 [0,0,0,2,0,0|2,0,0]=4 27210 B11R2.115 CC1SCCN1CC2CO2 2230a_200011216479_100011216344 [0,0,0,2,0,0|2,0,0]=4 27211 B11R2.115 CC1SCCN1CC2CO2 269982a_200011216479_102125554688 [0,0,0,2,0,0|2,0,0]=4 27212 B11R2.115 CC1SCCN1CC2CO2 34a_200011216479_102125554688 [0,0,0,2,0,0|2,0,0]=4 27213 B11R2.115 CC1SCCN1C[C@@H]2CO2 269982a_200011216479_100000745022 [0,0,0,2,0,0|2,0,0]=4 27214 B11R2.115 C[C@@H]1CCCN1CC2CC2 2230a_100015189458_100000742324 [0,0,0,2,0,0|2,0,0]=4 27215 B11R2.115 C[C@@H]1CCCN1CC2CC2 269982a_100015189458_100000756562 [0,0,0,2,0,0|2,0,0]=4 27216 B11R2.115 C[C@@H]1CCCN1CC2CC2 34a_100015189458_100000742324 [0,0,0,2,0,0|2,0,0]=4 27217 B11R2.115 C[C@@H]1CCCN1CC2CO2 2230a_100015189458_100011216344 [0,0,0,2,0,0|1,0,0]=3 27218 B11R2.115 C[C@@H]1CCCN1CC2CO2 269982a_100015189458_102125554688 [0,0,0,2,0,0|1,0,0]=3 27219 B11R2.115 C[C@@H]1CCCN1CC2CO2 34a_100015189458_102125554688 [0,0,0,2,0,0|1,0,0]=3 27220 B11R2.115 C[C@@H]1CCCN1CC2CS2 269982a_100015189458_100000031435 [0,0,0,2,0,0|1,1,0]=4 27221 B11R2.115 C[C@@H]1CCCN1C[C@@H]2CO2 269982a_100015189458_100000745022 [0,0,0,2,0,0|1,0,0]=3 27222 B11R2.115 C[C@H]1CCCN1CC2CC2 2230a_100020605311_100000742324 [0,0,0,2,0,0|2,0,0]=4 27223 B11R2.115 C[C@H]1CCCN1CC2CC2 269982a_100020605311_100000756562 [0,0,0,2,0,0|2,0,0]=4 27224 B11R2.115 C[C@H]1CCCN1CC2CO2 2230a_100020605311_100011216344 [0,0,0,2,0,0|1,0,0]=3 27225 B11R2.115 C[C@H]1CCCN1CC2CO2 269982a_100020605311_102125554688 [0,0,0,2,0,0|1,0,0]=3 27226 B11R2.115 C[C@H]1CCCN1CC2CS2 269982a_100020605311_100000031435 [0,0,0,2,0,0|1,1,0]=4 27227 B11R2.115 C[C@H]1CCCN1C[C@@H]2CO2 269982a_100020605311_100000745022 [0,0,0,2,0,0|1,0,0]=3 27228 B11R2.115 Cl[C@@H]1CCC[C@H]1OC2CC2 34a_200016002552_100000211595 [0,0,0,2,0,0|2,0,0]=4 27229 B11R2.115 N[C@H]1CCC[C@@H]1OC2CC2 34a_100000748460_100000211595 [0,0,0,2,0,0|2,0,0]=4 27230 B11R2.115 OC1COCC1NC2CC2 34a_100000212008_200000725654 [0,0,0,2,0,0|2,0,0]=4 27231 B11R2.115 OC1COCC1SC2CC2 62a_200000725654_100000211595 [0,0,0,2,0,0|2,0,0]=4 27232 B11R2.115 O[C@@H]1CCC[C@H]1SC2CC2 62a_200016002552_100000211595 [0,0,0,2,0,0|1,0,0]=3 27233 B11R2.459 C[C@@H]1CCCN1C2CCC2 269982a_100015189458_100000749161 [0,0,0,2,0,0|2,0,0]=4 27234 B11R2.459 C[C@@H]1CCCN1C2CCC2 270004a_100015189458_100000241760 [0,0,0,2,0,0|2,0,0]=4 27235 B11R2.459 C[C@@H]1CCCN1C2CCC2 34a_100015189458_100000749161 [0,0,0,2,0,0|2,0,0]=4 27236 B11R2.459 C[C@H]1CCCN1C2CCC2 269982a_100020605311_100000749161 [0,0,0,2,0,0|2,0,0]=4 27237 B11R2.459 C[C@H]1CCCN1C2CCC2 270004a_100020605311_100000241760 [0,0,0,2,0,0|2,0,0]=4 27238 B11R2.459 O[C@@H]1CCC[C@H]1N2CCC2 269982a_100000754969_200016002552 [0,0,0,2,0,0|1,0,0]=3 27239 B11R2.362 CC1CCN1CCC2CC2 269982a_100000755817_100000694398 [0,0,0,2,0,0|2,0,0]=4 27240 B11R2.362 CC1CCN1CCC2CC2 34a_100000755817_100000694398 [0,0,0,2,0,0|2,0,0]=4 27241 B11R2.362 CC1CCN1CCC2CO2 269982a_100000755817_100000732470 [0,0,0,2,0,0|1,0,0]=3 27242 B11R2.362 CC1CCN1CCC2CO2 34a_100000755817_100000732470 [0,0,0,2,0,0|1,0,0]=3 27243 B11R2.512 CC1CCN1CC2CCC2 269982a_100000755817_100000763275 [0,0,0,2,0,0|2,0,0]=4 27244 B11R2.512 CC1CCN1CC2CCC2 34a_100000755817_100000763275 [0,0,0,2,0,0|2,0,0]=4 27245 B11R2.512 CC1CCN1CC2CCO2 269982a_100000755817_100000103362 [0,0,0,2,0,0|1,0,0]=3 27246 B11R2.512 CC1CCN1CC2CCO2 34a_100000755817_100000103362 [0,0,0,2,0,0|1,0,0]=3 27247 B11R2.444 CC1CC1COCC2CC2 34a_100000744939_100000742324 [0,0,0,2,0,0|2,0,0]=4 27248 B11R2.444 CC1CC1COCC2CC2 7a_100000744939_100000742324 [0,0,0,2,0,0|2,0,0]=4 27249 B11R2.444 CC1CC1COCC2CO2 34a_100000744939_102125554688 [0,0,0,2,0,0|1,0,0]=3 27250 B11R2.444 CC1CC1COCC2CO2 7a_100000744939_102125554688 [0,0,0,2,0,0|1,0,0]=3 27251 B11R2.444 CC1CC1COCC2CS2 7a_100000744939_100000031435 [0,0,0,2,0,0|1,1,0]=4 27252 B11R2.444 CC1CC1COC[C@@H]2CO2 7a_100000744939_100000745022 [0,0,0,2,0,0|1,0,0]=3 27253 B11R2.444 F[C@@H]1C[C@H]1NCCC2CC2 2230a_100025746932_100000694398 [0,0,0,2,0,0|2,0,0]=4 27254 B11R2.444 F[C@@H]1C[C@H]1NCCC2CC2 34a_100025746932_100000694398 [0,0,0,2,0,0|2,0,0]=4 27255 B11R2.444 F[C@@H]1C[C@H]1NCCC2CO2 2230a_100025746932_100000732470 [0,0,0,2,0,0|2,0,0]=4 27256 B11R2.444 F[C@@H]1C[C@H]1NCCC2CO2 34a_100025746932_100000732470 [0,0,0,2,0,0|2,0,0]=4 27257 B11R2.444 F[C@H]1C[C@H]1NCCC2CC2 2230a_100015190264_100000694398 [0,0,0,2,0,0|2,0,0]=4 27258 B11R2.444 F[C@H]1C[C@H]1NCCC2CO2 2230a_100015190264_100000732470 [0,0,0,2,0,0|2,0,0]=4 27259 B11R2.774 CC1CC1COC2CCC2 34a_100000744939_100000749161 [0,0,0,2,0,0|2,0,0]=4 27260 B11R2.774 F[C@@H]1C[C@H]1NCC2CCC2 2230a_100025746932_100000763275 [0,0,0,2,0,0|2,0,0]=4 27261 B11R2.774 F[C@@H]1C[C@H]1NCC2CCC2 34a_100025746932_100000763275 [0,0,0,2,0,0|2,0,0]=4 27262 B11R2.774 F[C@@H]1C[C@H]1NCC2CCO2 2230a_100025746932_100000103362 [0,0,0,2,0,0|2,0,0]=4 27263 B11R2.774 F[C@@H]1C[C@H]1NCC2CCO2 34a_100025746932_100000103362 [0,0,0,2,0,0|2,0,0]=4 27264 B11R2.774 F[C@H]1C[C@H]1NCC2CCC2 2230a_100015190264_100000763275 [0,0,0,2,0,0|2,0,0]=4 27265 B11R2.774 F[C@H]1C[C@H]1NCC2CCO2 2230a_100015190264_100000103362 [0,0,0,2,0,0|2,0,0]=4 27266 B11R2.384 C1CC(C1)CNC2CCC2 2230a_100000749019_100000763275 [0,0,0,2,0,0|2,0,0]=4 27267 B11R2.384 C1CC(C1)CNC2CCC2 269862a_100000749019_100000753134 [0,0,0,2,0,0|2,0,0]=4 27268 B11R2.384 C1CC(C1)CNC2CCC2 270004a_100000738700_100000241760 [0,0,0,2,0,0|2,0,0]=4 27269 B11R2.384 C1CC(C1)CNC2CCC2 34a_100000738700_100000749161 [0,0,0,2,0,0|2,0,0]=4 27270 B11R2.384 C1CC(C1)CNC2CCC2 34a_100000749019_100000763275 [0,0,0,2,0,0|2,0,0]=4 27271 B11R2.384 C1CC(C1)COC2CCC2 34a_100000748187_100000763275 [0,0,0,2,0,0|2,0,0]=4 27272 B11R2.384 C1CC(C1)COC2CCC2 34a_100000760304_100000749161 [0,0,0,2,0,0|2,0,0]=4 27273 B11R2.384 C1CC(C1)CSC2CCC2 62a_100000763275_100000749161 [0,0,0,2,0,0|2,0,0]=4 27274 B11R2.384 C1CC(C1)NCC2CCO2 2230a_100000749019_100000103362 [0,0,0,2,0,0|1,0,0]=3 27275 B11R2.384 C1CC(C1)NCC2CCO2 34a_100000749019_100000103362 [0,0,0,2,0,0|1,0,0]=3 27276 B11R2.384 C1CC(C1)NC[C@@H]2CCO2 270004a_100020831831_100000241760 [0,0,0,2,0,0|1,0,0]=3 27277 B11R2.384 C1CC(C1)NC[C@@H]2CCO2 34a_100020831831_100000749161 [0,0,0,2,0,0|1,0,0]=3 27278 B11R2.384 C1CC(C1)OCC2CCO2 34a_100000039022_100000749161 [0,0,0,2,0,0|1,0,0]=3 27279 B11R2.384 C1CC(C1)OCC2CCO2 34a_100000748187_100000103362 [0,0,0,2,0,0|1,0,0]=3 27280 B11R2.384 C1CC(C1)SCC2CCO2 62a_100000103362_100000749161 [0,0,0,2,0,0|1,0,0]=3 27281 B11R2.384 C1CC(O1)CNC2COC2 2230a_100016991112_100000103362 [0,0,0,2,0,0|2,0,0]=4 27282 B11R2.384 C1CC(O1)COC2COC2 34a_100000039022_100009818527 [0,0,0,2,0,0|2,0,0]=4 27283 B11R2.384 C1CC(O1)COC2CSC2 7a_100000072292_100000103362 [0,0,0,2,0,0|2,0,0]=4 27284 B11R2.384 C1CC(O1)CSC2COC2 62a_100000103362_100009818527 [0,0,0,2,0,0|2,0,0]=4 27285 B11R2.384 C1C[C@H](O1)CNC2COC2 34a_100020831831_100009818527 [0,0,0,2,0,0|2,0,0]=4 27286 B11R2.643 OCCN1CCC12COC2 2230a_100015204706_100000211926 [0,0,0,2,0,0|2,0,0]=4 27287 B11R2.643 OCCN1CCC12COC2 269982a_100015204706_100000211926 [0,0,0,2,0,0|2,0,0]=4 27288 B11R2.1039 C(CC1CO1)CN2CCC2 269982a_100000754969_100000733510 [0,0,0,2,0,0|1,0,0]=3 27289 B11R2.1039 C(CC1CO1)NC2COC2 2230a_100016991112_100000732470 [0,0,0,2,0,0|2,0,0]=4 27290 B11R2.1039 C(CC1CO1)OC2CSC2 7a_100000072292_100000732470 [0,0,0,2,0,0|2,0,0]=4 27291 B11R2.1039 C(CC1CO1)SC2COC2 62a_100000732470_100009818527 [0,0,0,2,0,0|2,0,0]=4 27292 B11R2.1039 C(C[C@@H]1CO1)OC2COC2 34a_100009820653_100009818527 [0,0,0,2,0,0|2,0,0]=4 27293 B11R2.1039 C(NCC1CO1)C2COC2 2230a_100015281925_100011216344 [0,0,0,2,0,0|2,0,0]=4 27294 B11R2.1039 C(NCC1CO1)C2COC2 34a_100015281925_102125554688 [0,0,0,2,0,0|2,0,0]=4 27295 B11R2.1039 C1CC(C1)CNCC2CC2 2230a_100000735609_100000763275 [0,0,0,2,0,0|2,0,0]=4 27296 B11R2.1039 C1CC(C1)CNCC2CC2 2230a_100000738700_100000742324 [0,0,0,2,0,0|2,0,0]=4 27297 B11R2.1039 C1CC(C1)CNCC2CC2 269862a_100000738700_100000741477 [0,0,0,2,0,0|2,0,0]=4 27298 B11R2.1039 C1CC(C1)CNCC2CC2 34a_100000735609_100000763275 [0,0,0,2,0,0|2,0,0]=4 27299 B11R2.1039 C1CC(C1)CNCC2CC2 34a_100000738700_100000742324 [0,0,0,2,0,0|2,0,0]=4 27300 B11R2.1039 C1CC(C1)CNCC2CO2 2230a_100000738700_100011216344 [0,0,0,2,0,0|1,0,0]=3 27301 B11R2.1039 C1CC(C1)CNCC2CO2 34a_100000738700_102125554688 [0,0,0,2,0,0|1,0,0]=3 27302 B11R2.1039 C1CC(C1)COCC2CC2 34a_100000211283_100000763275 [0,0,0,2,0,0|2,0,0]=4 27303 B11R2.1039 C1CC(C1)COCC2CC2 34a_100000760304_100000742324 [0,0,0,2,0,0|2,0,0]=4 27304 B11R2.1039 C1CC(C1)COCC2CO2 34a_100000760304_102125554688 [0,0,0,2,0,0|1,0,0]=3 27305 B11R2.1039 C1CC(C1)COC[C@@H]2CO2 34a_100000757423_100000763275 [0,0,0,2,0,0|1,0,0]=3 27306 B11R2.1039 C1CC(C1)CSCC2CC2 62a_100000756562_100000763275 [0,0,0,2,0,0|2,0,0]=4 27307 B11R2.1039 C1CC(C1)CSCC2CC2 62a_100000763275_100000742324 [0,0,0,2,0,0|2,0,0]=4 27308 B11R2.1039 C1CC(C1)CSCC2CO2 62a_100000763275_102125554688 [0,0,0,2,0,0|1,0,0]=3 27309 B11R2.1039 C1CC(C1)CSCC2CO2 62a_102125554688_100000763275 [0,0,0,2,0,0|1,0,0]=3 27310 B11R2.1039 C1CC(C1)CSCC2CS2 62a_100000031435_100000763275 [0,0,0,2,0,0|1,1,0]=4 27311 B11R2.1039 C1CC(C1)CSCC2CS2 62a_100000763275_100000031435 [0,0,0,2,0,0|1,1,0]=4 27312 B11R2.1039 C1CC(C1)CSC[C@@H]2CO2 62a_100000745022_100000763275 [0,0,0,2,0,0|1,0,0]=3 27313 B11R2.1039 C1CC(C1)CSC[C@@H]2CO2 62a_100000763275_100000745022 [0,0,0,2,0,0|1,0,0]=3 27314 B11R2.1039 C1CC(C1)NCCC2CC2 2230a_100000749019_100000694398 [0,0,0,2,0,0|2,0,0]=4 27315 B11R2.1039 C1CC(C1)NCCC2CC2 270004a_100000764129_100000241760 [0,0,0,2,0,0|2,0,0]=4 27316 B11R2.1039 C1CC(C1)NCCC2CC2 34a_100000749019_100000694398 [0,0,0,2,0,0|2,0,0]=4 27317 B11R2.1039 C1CC(C1)NCCC2CC2 34a_100000764129_100000749161 [0,0,0,2,0,0|2,0,0]=4 27318 B11R2.1039 C1CC(C1)NCCC2CO2 2230a_100000749019_100000732470 [0,0,0,2,0,0|1,0,0]=3 27319 B11R2.1039 C1CC(C1)NCCC2CO2 34a_100000749019_100000732470 [0,0,0,2,0,0|1,0,0]=3 27320 B11R2.1039 C1CC(C1)OCCC2CC2 34a_100000748187_100000694398 [0,0,0,2,0,0|2,0,0]=4 27321 B11R2.1039 C1CC(C1)OCCC2CC2 34a_100000754188_100000749161 [0,0,0,2,0,0|2,0,0]=4 27322 B11R2.1039 C1CC(C1)OCCC2CO2 34a_100000748187_100000732470 [0,0,0,2,0,0|1,0,0]=3 27323 B11R2.1039 C1CC(C1)OCC[C@@H]2CO2 34a_100009820653_100000749161 [0,0,0,2,0,0|1,0,0]=3 27324 B11R2.1039 C1CC(C1)SCCC2CC2 62a_100000764125_100000749161 [0,0,0,2,0,0|2,0,0]=4 27325 B11R2.1039 C1CC(C1)SCCC2CO2 62a_100000732470_100000749161 [0,0,0,2,0,0|1,0,0]=3 27326 B11R2.1039 C1CC(O1)CNCC2CC2 2230a_100000735609_100000103362 [0,0,0,2,0,0|1,0,0]=3 27327 B11R2.1039 C1CC(O1)CNCC2CC2 34a_100000735609_100000103362 [0,0,0,2,0,0|1,0,0]=3 27328 B11R2.1039 C1CC(O1)COCC2CC2 34a_100000039022_100000742324 [0,0,0,2,0,0|1,0,0]=3 27329 B11R2.1039 C1CC(O1)COCC2CC2 34a_100000211283_100000103362 [0,0,0,2,0,0|1,0,0]=3 27330 B11R2.1039 C1CC(O1)COCC2CO2 34a_100000039022_102125554688 [0,0,0,2,0,0|2,0,0]=4 27331 B11R2.1039 C1CC(O1)COC[C@@H]2CO2 34a_100000757423_100000103362 [0,0,0,2,0,0|2,0,0]=4 27332 B11R2.1039 C1CC(O1)CSCC2CC2 62a_100000103362_100000742324 [0,0,0,2,0,0|1,0,0]=3 27333 B11R2.1039 C1CC(O1)CSCC2CC2 62a_100000756562_100000103362 [0,0,0,2,0,0|1,0,0]=3 27334 B11R2.1039 C1CC(O1)CSCC2CO2 62a_100000103362_102125554688 [0,0,0,2,0,0|2,0,0]=4 27335 B11R2.1039 C1CC(O1)CSCC2CO2 62a_102125554688_100000103362 [0,0,0,2,0,0|2,0,0]=4 27336 B11R2.1039 C1CC(O1)CSCC2CS2 62a_100000031435_100000103362 [0,0,0,2,0,0|2,0,0]=4 27337 B11R2.1039 C1CC(O1)CSCC2CS2 62a_100000103362_100000031435 [0,0,0,2,0,0|2,0,0]=4 27338 B11R2.1039 C1CC(O1)CSC[C@@H]2CO2 62a_100000103362_100000745022 [0,0,0,2,0,0|2,0,0]=4 27339 B11R2.1039 C1CC(O1)CSC[C@@H]2CO2 62a_100000745022_100000103362 [0,0,0,2,0,0|2,0,0]=4 27340 B11R2.1039 C1C[C@H](O1)CNCC2CC2 2230a_100020831831_100000742324 [0,0,0,2,0,0|1,0,0]=3 27341 B11R2.1039 C1C[C@H](O1)CNCC2CC2 269862a_100020831831_100000741477 [0,0,0,2,0,0|1,0,0]=3 27342 B11R2.1039 C1C[C@H](O1)CNCC2CC2 34a_100020831831_100000742324 [0,0,0,2,0,0|1,0,0]=3 27343 B11R2.1039 C1C[C@H](O1)CNCC2CO2 2230a_100020831831_100011216344 [0,0,0,2,0,0|2,0,0]=4 27344 B11R2.1039 C1C[C@H](O1)CNCC2CO2 34a_100020831831_102125554688 [0,0,0,2,0,0|2,0,0]=4 27345 B11R2.1039 C1NCC1COCC2CO2 34a_100016987283_102125554688 [0,0,0,2,0,0|2,0,0]=4 27346 B11R2.1039 C1OCC1COCC2CO2 34a_100000060846_102125554688 [0,0,0,2,0,0|2,0,0]=4 27347 B11R2.1039 C1OCC1COC[C@@H]2CO2 34a_100000757423_100010264016 [0,0,0,2,0,0|2,0,0]=4 27348 B11R2.1039 C1OCC1CSCC2CO2 62a_100010264016_102125554688 [0,0,0,2,0,0|2,0,0]=4 27349 B11R2.1039 C1OCC1CSCC2CO2 62a_102125554688_100010264016 [0,0,0,2,0,0|2,0,0]=4 27350 B11R2.1039 C1OCC1CSC[C@@H]2CO2 62a_100000745022_100010264016 [0,0,0,2,0,0|2,0,0]=4 27351 B11R2.1039 C1OCC1CSC[C@@H]2CO2 62a_100010264016_100000745022 [0,0,0,2,0,0|2,0,0]=4 27352 B11R2.1036 C1CCCN(CC1)C2CC2 269982a_100000185865_100000211595 [0,0,0,2,0,0|2,0,0]=4 27353 B11R2.1036 C1CCCN(CC1)C2CC2 34a_100000185865_100000211595 [0,0,0,2,0,0|2,0,0]=4 27354 B11R2.1034 C(CC1CC1)NCC2CC2 2230a_100000735609_100000694398 [0,0,0,2,0,0|2,0,0]=4 27355 B11R2.1034 C(CC1CC1)NCC2CC2 269862a_100000764129_100000741477 [0,0,0,2,0,0|2,0,0]=4 27356 B11R2.1034 C(CC1CC1)NCC2CC2 34a_100000735609_100000694398 [0,0,0,2,0,0|2,0,0]=4 27357 B11R2.1034 C(CC1CC1)NCC2CC2 34a_100000764129_100000742324 [0,0,0,2,0,0|2,0,0]=4 27358 B11R2.1034 C(CC1CC1)NCC2CO2 34a_100000764129_102125554688 [0,0,0,2,0,0|1,0,0]=3 27359 B11R2.1034 C(CC1CC1)OCC2CC2 34a_100000211283_100000694398 [0,0,0,2,0,0|2,0,0]=4 27360 B11R2.1034 C(CC1CC1)OCC2CC2 34a_100000754188_100000742324 [0,0,0,2,0,0|2,0,0]=4 27361 B11R2.1034 C(CC1CC1)OCC2CC2 7a_100000754188_100000742324 [0,0,0,2,0,0|2,0,0]=4 27362 B11R2.1034 C(CC1CC1)OCC2CO2 34a_100000754188_102125554688 [0,0,0,2,0,0|1,0,0]=3 27363 B11R2.1034 C(CC1CC1)OCC2CO2 7a_100000754188_102125554688 [0,0,0,2,0,0|1,0,0]=3 27364 B11R2.1034 C(CC1CC1)OCC2CS2 7a_100000754188_100000031435 [0,0,0,2,0,0|1,1,0]=4 27365 B11R2.1034 C(CC1CC1)OC[C@@H]2CO2 34a_100000757423_100000694398 [0,0,0,2,0,0|1,0,0]=3 27366 B11R2.1034 C(CC1CC1)OC[C@@H]2CO2 7a_100000754188_100000745022 [0,0,0,2,0,0|1,0,0]=3 27367 B11R2.1034 C(CC1CC1)SCC2CC2 62a_100000756562_100000764125 [0,0,0,2,0,0|2,0,0]=4 27368 B11R2.1034 C(CC1CC1)SCC2CC2 62a_100000764125_100000742324 [0,0,0,2,0,0|2,0,0]=4 27369 B11R2.1034 C(CC1CC1)SCC2CO2 62a_100000764125_102125554688 [0,0,0,2,0,0|1,0,0]=3 27370 B11R2.1034 C(CC1CC1)SCC2CO2 62a_102125554688_100000764125 [0,0,0,2,0,0|1,0,0]=3 27371 B11R2.1034 C(CC1CC1)SCC2CS2 62a_100000031435_100000764125 [0,0,0,2,0,0|1,1,0]=4 27372 B11R2.1034 C(CC1CC1)SCC2CS2 62a_100000764125_100000031435 [0,0,0,2,0,0|1,1,0]=4 27373 B11R2.1034 C(CC1CC1)SC[C@@H]2CO2 62a_100000745022_100000764125 [0,0,0,2,0,0|1,0,0]=3 27374 B11R2.1034 C(CC1CC1)SC[C@@H]2CO2 62a_100000764125_100000745022 [0,0,0,2,0,0|1,0,0]=3 27375 B11R2.1034 C(CC1CO1)NCC2CC2 2230a_100000735609_100000732470 [0,0,0,2,0,0|1,0,0]=3 27376 B11R2.1034 C(CC1CO1)NCC2CC2 34a_100000735609_100000732470 [0,0,0,2,0,0|1,0,0]=3 27377 B11R2.1034 C(CC1CO1)OCC2CC2 34a_100000211283_100000732470 [0,0,0,2,0,0|1,0,0]=3 27378 B11R2.1034 C(CC1CO1)OC[C@@H]2CO2 34a_100000757423_100000732470 [0,0,0,2,0,0|2,0,0]=4 27379 B11R2.1034 C(CC1CO1)SCC2CC2 62a_100000732470_100000742324 [0,0,0,2,0,0|1,0,0]=3 27380 B11R2.1034 C(CC1CO1)SCC2CC2 62a_100000756562_100000732470 [0,0,0,2,0,0|1,0,0]=3 27381 B11R2.1034 C(CC1CO1)SCC2CO2 62a_100000732470_102125554688 [0,0,0,2,0,0|2,0,0]=4 27382 B11R2.1034 C(CC1CO1)SCC2CO2 62a_102125554688_100000732470 [0,0,0,2,0,0|2,0,0]=4 27383 B11R2.1034 C(CC1CO1)SCC2CS2 62a_100000031435_100000732470 [0,0,0,2,0,0|2,0,0]=4 27384 B11R2.1034 C(CC1CO1)SCC2CS2 62a_100000732470_100000031435 [0,0,0,2,0,0|2,0,0]=4 27385 B11R2.1034 C(CC1CO1)SC[C@@H]2CO2 62a_100000732470_100000745022 [0,0,0,2,0,0|2,0,0]=4 27386 B11R2.1034 C(CC1CO1)SC[C@@H]2CO2 62a_100000745022_100000732470 [0,0,0,2,0,0|2,0,0]=4 27387 B11R2.1034 C(CNC1CC1)CC2CO2 34a_100000212008_100000733510 [0,0,0,2,0,0|1,0,0]=3 27388 B11R2.1034 C(CSC1CC1)CC2CO2 62a_100000733510_100000211595 [0,0,0,2,0,0|1,0,0]=3 27389 B11R2.1034 C(C[C@@H]1CO1)OCC2CC2 34a_100009820653_100000742324 [0,0,0,2,0,0|1,0,0]=3 27390 B11R2.1034 C(C[C@@H]1CO1)OCC2CO2 34a_100009820653_102125554688 [0,0,0,2,0,0|2,0,0]=4