0 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [0,0,0,0,0,0|2,0,1]=3 3 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [0,0,0,0,0,0|2,0,1]=3 5 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [0,0,0,0,0,0|2,0,1]=3 7 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [0,0,0,0,0,0|2,0,1]=3 10 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [0,0,0,0,0,0|2,0,1]=3 11 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [0,0,0,0,0,0|2,0,1]=3 12 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [0,0,0,0,0,0|2,0,1]=3 13 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [0,0,0,0,0,0|2,0,1]=3 14 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [0,0,0,0,0,0|2,0,1]=3 15 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [0,0,0,0,0,0|2,0,1]=3 16 B10R0.71 C#CCCCCCCOCF 34a_100011217361_100015361967 [0,0,0,0,0,0|3,0,1]=4 17 B10R0.71 C#CCCCCCCOCF 7a_100011217361_100015361967 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [0,0,0,0,0,0|2,0,1]=3 19 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [0,0,0,0,0,0|2,0,1]=3 20 B10R0.71 C#CCCCCCCSCF 62a_100012276617_100015361967 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.71 C#CCCCCCCSCF 62a_100015361967_100012276617 [0,0,0,0,0,0|3,0,1]=4 22 B10R0.71 C#CCCCCCNCC=C 2230a_100020586998_100012094781 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.71 C#CCCCCCNCCF 34a_100000724931_100012094781 [0,0,0,0,0,0|3,0,1]=4 24 B10R0.71 C#CCCCCCNCCO 2230a_100016997473_100012094781 [0,0,0,0,0,0|3,0,1]=4 25 B10R0.71 C#CCCCCCNCCO 34a_100016990907_100012094781 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.71 C#CCCCCCOCC=C 34a_100000766912_100015514636 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.71 C#CCCCCCOCC=C 34a_200000210373_100012094781 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.71 C#CCCCCCOCC=C 7a_100000766912_100015514636 [0,0,0,0,0,0|2,0,2]=4 29 B10R0.71 C#CCCCCCOCC=O 34a_100000766912_200009817547 [0,0,0,0,0,0|1,0,2]=3 30 B10R0.71 C#CCCCCCOCC=O 7a_100000766912_200015260668 [0,0,0,0,0,0|1,0,2]=3 31 B10R0.71 C#CCCCCCOCCBr 34a_100000211926_100012094781 [0,0,0,0,0,0|3,0,1]=4 32 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [0,0,0,0,0,0|2,0,1]=3 33 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [0,0,0,0,0,0|2,0,1]=3 34 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [0,0,0,0,0,0|2,0,1]=3 35 B10R0.71 C#CCCCCCOCCF 34a_100000766912_100011217306 [0,0,0,0,0,0|3,0,1]=4 36 B10R0.71 C#CCCCCCOCCF 7a_100000766912_100011217306 [0,0,0,0,0,0|3,0,1]=4 37 B10R0.71 C#CCCCCCOCCN 34a_100000210304_100012094781 [0,0,0,0,0,0|3,0,1]=4 38 B10R0.71 C#CCCCCCOCCO 34a_100000766912_100000211926 [0,0,0,0,0,0|3,0,1]=4 39 B10R0.71 C#CCCCCCOCCO 7a_100000766912_100000211926 [0,0,0,0,0,0|3,0,1]=4 40 B10R0.71 C#CCCCCCOCSC 34a_100000766912_100011218213 [0,0,0,0,0,0|3,0,1]=4 41 B10R0.71 C#CCCCCCSCC=C 62a_100000210623_100012094781 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.71 C#CCCCCCSCC=C 62a_100012094781_100000210623 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.71 C#CCCCCCSCC=O 62a_100012094781_200015260668 [0,0,0,0,0,0|1,0,2]=3 44 B10R0.71 C#CCCCCCSCC=O 62a_200015260668_100012094781 [0,0,0,0,0,0|1,0,2]=3 45 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [0,0,0,0,0,0|2,0,1]=3 46 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [0,0,0,0,0,0|2,0,1]=3 47 B10R0.71 C#CCCCCCSCCF 62a_100011217306_100012094781 [0,0,0,0,0,0|3,0,1]=4 48 B10R0.71 C#CCCCCCSCCF 62a_100012094781_100011217306 [0,0,0,0,0,0|3,0,1]=4 49 B10R0.71 C#CCCCCCSCCO 62a_100000211926_100012094781 [0,0,0,0,0,0|3,0,1]=4 50 B10R0.71 C#CCCCCCSCCO 62a_100012094781_100000211926 [0,0,0,0,0,0|3,0,1]=4 51 B10R0.71 C#CCCCCCSCOC 62a_100000766300_100012094781 [0,0,0,0,0,0|3,0,1]=4 52 B10R0.71 C#CCCCCCSCOC 62a_100012094781_100000766300 [0,0,0,0,0,0|3,0,1]=4 53 B10R0.71 C#CCCCCCSCSC 62a_100011218213_100012094781 [0,0,0,0,0,0|3,0,1]=4 54 B10R0.71 C#CCCCCCSCSC 62a_100012094781_100011218213 [0,0,0,0,0,0|3,0,1]=4 55 B10R0.71 C#CCCCCNCCC=C 2230a_100000706060_100000754431 [0,0,0,0,0,0|2,0,2]=4 56 B10R0.71 C#CCCCCNCCC=C 2230a_100015191253_100010269958 [0,0,0,0,0,0|2,0,2]=4 57 B10R0.71 C#CCCCCNCCC=C 34a_100000706060_100000754431 [0,0,0,0,0,0|2,0,2]=4 58 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [0,0,0,0,0,0|2,0,1]=3 59 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [0,0,0,0,0,0|2,0,1]=3 60 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [0,0,0,0,0,0|2,0,1]=3 61 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [0,0,0,0,0,0|2,0,1]=3 62 B10R0.71 C#CCCCCNCCCF 2230a_100000706060_100011934791 [0,0,0,0,0,0|3,0,1]=4 63 B10R0.71 C#CCCCCNCCCF 2230a_100015189416_100010269958 [0,0,0,0,0,0|3,0,1]=4 64 B10R0.71 C#CCCCCNCCCF 34a_100000706060_100011934791 [0,0,0,0,0,0|3,0,1]=4 65 B10R0.71 C#CCCCCNCCCF 34a_100015189416_100010269958 [0,0,0,0,0,0|3,0,1]=4 66 B10R0.71 C#CCCCCNCCCO 2230a_100000706060_100000230001 [0,0,0,0,0,0|3,0,1]=4 67 B10R0.71 C#CCCCCNCCCO 34a_100000706060_100000230001 [0,0,0,0,0,0|3,0,1]=4 68 B10R0.71 C#CCCCCNCCOC 2230a_100000209980_100010269958 [0,0,0,0,0,0|3,0,1]=4 69 B10R0.71 C#CCCCCNCCOC 2230a_100000706060_100011201679 [0,0,0,0,0,0|3,0,1]=4 70 B10R0.71 C#CCCCCNCCOC 34a_100000706060_100011201679 [0,0,0,0,0,0|3,0,1]=4 71 B10R0.71 C#CCCCCNCCSC 2230a_100000706060_100000751147 [0,0,0,0,0,0|3,0,1]=4 72 B10R0.71 C#CCCCCNCCSC 2230a_100020590264_100010269958 [0,0,0,0,0,0|3,0,1]=4 73 B10R0.71 C#CCCCCNCCSC 34a_100000706060_100000212216 [0,0,0,0,0,0|3,0,1]=4 74 B10R0.71 C#CCCCCOCCC=C 34a_100000766709_100000754431 [0,0,0,0,0,0|2,0,2]=4 75 B10R0.71 C#CCCCCOCCC=C 34a_100011205117_100010269958 [0,0,0,0,0,0|2,0,2]=4 76 B10R0.71 C#CCCCCOCCC=C 7a_100000766709_100000754431 [0,0,0,0,0,0|2,0,2]=4 77 B10R0.71 C#CCCCCOCCCBr 34a_100011217188_100010269958 [0,0,0,0,0,0|3,0,1]=4 78 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [0,0,0,0,0,0|2,0,1]=3 79 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [0,0,0,0,0,0|2,0,1]=3 80 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [0,0,0,0,0,0|2,0,1]=3 81 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [0,0,0,0,0,0|2,0,1]=3 82 B10R0.71 C#CCCCCOCCCCl 34a_100000230001_100010269958 [0,0,0,0,0,0|3,0,1]=4 83 B10R0.71 C#CCCCCOCCCF 34a_100000759539_100010269958 [0,0,0,0,0,0|3,0,1]=4 84 B10R0.71 C#CCCCCOCCCF 34a_100000766709_100011934791 [0,0,0,0,0,0|3,0,1]=4 85 B10R0.71 C#CCCCCOCCCF 7a_100000766709_100011934791 [0,0,0,0,0,0|3,0,1]=4 86 B10R0.71 C#CCCCCOCCCN 34a_100000182051_100010269958 [0,0,0,0,0,0|3,0,1]=4 87 B10R0.71 C#CCCCCOCCCO 34a_100000766709_100000230001 [0,0,0,0,0,0|3,0,1]=4 88 B10R0.71 C#CCCCCOCCCO 7a_100000766709_100011215043 [0,0,0,0,0,0|3,0,1]=4 89 B10R0.71 C#CCCCCOCCOC 34a_100000210237_100010269958 [0,0,0,0,0,0|3,0,1]=4 90 B10R0.71 C#CCCCCOCCOC 34a_100000766709_100011201679 [0,0,0,0,0,0|3,0,1]=4 91 B10R0.71 C#CCCCCOCCOC 7a_100000766709_100000233755 [0,0,0,0,0,0|3,0,1]=4 92 B10R0.71 C#CCCCCOCCSC 34a_100000230434_100010269958 [0,0,0,0,0,0|3,0,1]=4 93 B10R0.71 C#CCCCCOCCSC 34a_100000766709_100000212216 [0,0,0,0,0,0|3,0,1]=4 94 B10R0.71 C#CCCCCOCCSC 7a_100000230434_100010269958 [0,0,0,0,0,0|3,0,1]=4 95 B10R0.71 C#CCCCCOCCSC 7a_100000766709_100000212216 [0,0,0,0,0,0|3,0,1]=4 96 B10R0.71 C#CCCCCSCCC=C 62a_100000754431_100010269958 [0,0,0,0,0,0|2,0,2]=4 97 B10R0.71 C#CCCCCSCCC=C 62a_100010269958_100000754431 [0,0,0,0,0,0|2,0,2]=4 98 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [0,0,0,0,0,0|2,0,1]=3 99 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [0,0,0,0,0,0|2,0,1]=3 100 B10R0.71 C#CCCCCSCCCF 62a_100010269958_100011934791 [0,0,0,0,0,0|3,0,1]=4 101 B10R0.71 C#CCCCCSCCCF 62a_100011934791_100010269958 [0,0,0,0,0,0|3,0,1]=4 102 B10R0.71 C#CCCCCSCCCO 62a_100010269958_100011215043 [0,0,0,0,0,0|3,0,1]=4 103 B10R0.71 C#CCCCCSCCCO 62a_100011215043_100010269958 [0,0,0,0,0,0|3,0,1]=4 104 B10R0.71 C#CCCCCSCCOC 62a_100000233755_100010269958 [0,0,0,0,0,0|3,0,1]=4 105 B10R0.71 C#CCCCCSCCOC 62a_100010269958_100000233755 [0,0,0,0,0,0|3,0,1]=4 106 B10R0.71 C#CCCCCSCCSC 62a_100000212216_100010269958 [0,0,0,0,0,0|3,0,1]=4 107 B10R0.71 C#CCCCCSCCSC 62a_100010269958_100000751147 [0,0,0,0,0,0|3,0,1]=4 108 B10R0.71 C#CCCCCSCOCC 62a_100000739092_100010269958 [0,0,0,0,0,0|3,0,1]=4 109 B10R0.71 C#CCCCCSCOCC 62a_100010269958_100000739092 [0,0,0,0,0,0|3,0,1]=4 110 B10R0.71 C#CCCCNCCCC=C 2230a_100000700776_100000731252 [0,0,0,0,0,0|2,0,2]=4 111 B10R0.71 C#CCCCNCCCC=C 34a_100000700776_100000695029 [0,0,0,0,0,0|2,0,2]=4 112 B10R0.71 C#CCCCNCCCC=C 34a_100000718082_100000757094 [0,0,0,0,0,0|2,0,2]=4 113 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [0,0,0,0,0,0|2,0,1]=3 114 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [0,0,0,0,0,0|2,0,1]=3 115 B10R0.71 C#CCCCNCCCCF 34a_100000718082_100000729493 [0,0,0,0,0,0|3,0,1]=4 116 B10R0.71 C#CCCCNCCCCO 2230a_100000750430_100000731252 [0,0,0,0,0,0|3,0,1]=4 117 B10R0.71 C#CCCCNCCCCO 34a_100000718082_100011216708 [0,0,0,0,0,0|3,0,1]=4 118 B10R0.71 C#CCCCNCCCCO 34a_100000750430_100000695029 [0,0,0,0,0,0|3,0,1]=4 119 B10R0.71 C#CCCCNCCCOC 34a_100000718082_100000740836 [0,0,0,0,0,0|3,0,1]=4 120 B10R0.71 C#CCCCNCCCOC 34a_100150723488_100000695029 [0,0,0,0,0,0|3,0,1]=4 121 B10R0.71 C#CCCCNCCCSC 2230a_100000749238_100000731252 [0,0,0,0,0,0|3,0,1]=4 122 B10R0.71 C#CCCCNCCOCC 2230a_102516460346_100000731252 [0,0,0,0,0,0|3,0,1]=4 123 B10R0.71 C#CCCCNCCOCC 34a_100000718082_100000210147 [0,0,0,0,0,0|3,0,1]=4 124 B10R0.71 C#CCCCNCCOCC 34a_102516460346_100000695029 [0,0,0,0,0,0|3,0,1]=4 125 B10R0.71 C#CCCCNCCSCC 2230a_100000106463_100000731252 [0,0,0,0,0,0|3,0,1]=4 126 B10R0.71 C#CCCCNCCSCC 34a_100000718082_100000757381 [0,0,0,0,0,0|3,0,1]=4 127 B10R0.71 C#CCCCOCCCC=C 34a_100000215630_100000757094 [0,0,0,0,0,0|2,0,2]=4 128 B10R0.71 C#CCCCOCCCC=C 34a_100000758997_100000695029 [0,0,0,0,0,0|2,0,2]=4 129 B10R0.71 C#CCCCOCCCC=C 7a_100000215630_100000757094 [0,0,0,0,0,0|2,0,2]=4 130 B10R0.71 C#CCCCOCCCC=C 7a_100000758997_100011215417 [0,0,0,0,0,0|2,0,2]=4 131 B10R0.71 C#CCCCOCCCC=O 7a_100000215630_200011292268 [0,0,0,0,0,0|1,0,2]=3 132 B10R0.71 C#CCCCOCCCCBr 34a_100011216708_100000695029 [0,0,0,0,0,0|3,0,1]=4 133 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [0,0,0,0,0,0|2,0,1]=3 134 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [0,0,0,0,0,0|2,0,1]=3 135 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [0,0,0,0,0,0|2,0,1]=3 136 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [0,0,0,0,0,0|2,0,1]=3 137 B10R0.71 C#CCCCOCCCCCl 34a_100000210776_100000695029 [0,0,0,0,0,0|3,0,1]=4 138 B10R0.71 C#CCCCOCCCCCl 7a_100000210776_100011215417 [0,0,0,0,0,0|3,0,1]=4 139 B10R0.71 C#CCCCOCCCCF 34a_100000215630_100000729493 [0,0,0,0,0,0|3,0,1]=4 140 B10R0.71 C#CCCCOCCCCF 34a_100011995726_100000695029 [0,0,0,0,0,0|3,0,1]=4 141 B10R0.71 C#CCCCOCCCCF 7a_100000215630_100000729493 [0,0,0,0,0,0|3,0,1]=4 142 B10R0.71 C#CCCCOCCCCF 7a_100011995726_100011215417 [0,0,0,0,0,0|3,0,1]=4 143 B10R0.71 C#CCCCOCCCCI 34a_200012148704_100000695029 [0,0,0,0,0,0|3,0,1]=4 144 B10R0.71 C#CCCCOCCCCN 34a_100000750430_100000695029 [0,0,0,0,0,0|3,0,1]=4 145 B10R0.71 C#CCCCOCCCCO 34a_100000215630_100011216708 [0,0,0,0,0,0|3,0,1]=4 146 B10R0.71 C#CCCCOCCCCO 7a_100000215630_100000210776 [0,0,0,0,0,0|3,0,1]=4 147 B10R0.71 C#CCCCOCCCNC 34a_100000213112_100000695029 [0,0,0,0,0,0|3,0,1]=4 148 B10R0.71 C#CCCCOCCCOC 34a_100000215630_100000740836 [0,0,0,0,0,0|3,0,1]=4 149 B10R0.71 C#CCCCOCCCOC 34a_100000740835_100000695029 [0,0,0,0,0,0|3,0,1]=4 150 B10R0.71 C#CCCCOCCCOC 7a_100000215630_100000740836 [0,0,0,0,0,0|3,0,1]=4 151 B10R0.71 C#CCCCOCCCSC 34a_100000690336_100000695029 [0,0,0,0,0,0|3,0,1]=4 152 B10R0.71 C#CCCCOCCCSC 7a_100000690336_100011215417 [0,0,0,0,0,0|3,0,1]=4 153 B10R0.71 C#CCCCOCCOCC 34a_100000210136_100000695029 [0,0,0,0,0,0|3,0,1]=4 154 B10R0.71 C#CCCCOCCOCC 34a_100000215630_100000210147 [0,0,0,0,0,0|3,0,1]=4 155 B10R0.71 C#CCCCOCCOCC 7a_100000210136_100011215417 [0,0,0,0,0,0|3,0,1]=4 156 B10R0.71 C#CCCCOCCOCC 7a_100000215630_100011215890 [0,0,0,0,0,0|3,0,1]=4 157 B10R0.71 C#CCCCOCCSCC 34a_100000212035_100000695029 [0,0,0,0,0,0|3,0,1]=4 158 B10R0.71 C#CCCCOCCSCC 34a_100000215630_100000757381 [0,0,0,0,0,0|3,0,1]=4 159 B10R0.71 C#CCCCOCCSCC 7a_100000212035_100011215417 [0,0,0,0,0,0|3,0,1]=4 160 B10R0.71 C#CCCCOCCSCC 7a_100000215630_100000757381 [0,0,0,0,0,0|3,0,1]=4 161 B10R0.71 C#CCCCSCCCC=C 62a_100011215417_100000757094 [0,0,0,0,0,0|2,0,2]=4 162 B10R0.71 C#CCCCSCCCC=C 62a_100011713584_100011215417 [0,0,0,0,0,0|2,0,2]=4 163 B10R0.71 C#CCCCSCCCC=O 62a_100011215417_200011292268 [0,0,0,0,0,0|1,0,2]=3 164 B10R0.71 C#CCCCSCCCC=O 62a_200011292268_100011215417 [0,0,0,0,0,0|1,0,2]=3 165 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [0,0,0,0,0,0|2,0,1]=3 166 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [0,0,0,0,0,0|2,0,1]=3 167 B10R0.71 C#CCCCSCCCCF 62a_100000729493_100011215417 [0,0,0,0,0,0|3,0,1]=4 168 B10R0.71 C#CCCCSCCCCF 62a_100011215417_100000729493 [0,0,0,0,0,0|3,0,1]=4 169 B10R0.71 C#CCCCSCCCCO 62a_100000210776_100011215417 [0,0,0,0,0,0|3,0,1]=4 170 B10R0.71 C#CCCCSCCCCO 62a_100011215417_100000210776 [0,0,0,0,0,0|3,0,1]=4 171 B10R0.71 C#CCCCSCCCOC 62a_100000709357_100011215417 [0,0,0,0,0,0|3,0,1]=4 172 B10R0.71 C#CCCCSCCCOC 62a_100011215417_100000709357 [0,0,0,0,0,0|3,0,1]=4 173 B10R0.71 C#CCCCSCCOCC 62a_100000210147_100011215417 [0,0,0,0,0,0|3,0,1]=4 174 B10R0.71 C#CCCCSCCOCC 62a_100011215417_100011215890 [0,0,0,0,0,0|3,0,1]=4 175 B10R0.71 C#CCCCSCCSCC 62a_100000757381_100011215417 [0,0,0,0,0,0|3,0,1]=4 176 B10R0.71 C#CCCCSCCSCC 62a_100011215417_100000757381 [0,0,0,0,0,0|3,0,1]=4 177 B10R0.71 C#CCCNCCCCC=C 2230a_100000703577_100000688953 [0,0,0,0,0,0|2,0,2]=4 178 B10R0.71 C#CCCNCCCCC=C 34a_100000703577_100000688953 [0,0,0,0,0,0|2,0,2]=4 179 B10R0.71 C#CCCNCCCCC=C 34a_100000755551_100011215482 [0,0,0,0,0,0|2,0,2]=4 180 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [0,0,0,0,0,0|2,0,1]=3 181 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [0,0,0,0,0,0|2,0,1]=3 182 B10R0.71 C#CCCNCCCCCF 34a_100000755551_100000729378 [0,0,0,0,0,0|3,0,1]=4 183 B10R0.71 C#CCCNCCCCCO 2230a_100000762737_100000688953 [0,0,0,0,0,0|3,0,1]=4 184 B10R0.71 C#CCCNCCCCCO 34a_100000755551_100000746330 [0,0,0,0,0,0|3,0,1]=4 185 B10R0.71 C#CCCNCCCCCO 34a_100000762737_100000688953 [0,0,0,0,0,0|3,0,1]=4 186 B10R0.71 C#CCCNCCCCOC 34a_100000755551_100000755781 [0,0,0,0,0,0|3,0,1]=4 187 B10R0.71 C#CCCNCCCOCC 2230a_100000210961_100000688953 [0,0,0,0,0,0|3,0,1]=4 188 B10R0.71 C#CCCNCCCOCC 34a_100000210961_100000688953 [0,0,0,0,0,0|3,0,1]=4 189 B10R0.71 C#CCCNCCCOCC 34a_100000755551_100012232248 [0,0,0,0,0,0|3,0,1]=4 190 B10R0.71 C#CCCNCCOCCC 2230a_100161115042_100000688953 [0,0,0,0,0,0|3,0,1]=4 191 B10R0.71 C#CCCNCCOCCC 34a_100000755551_100011215938 [0,0,0,0,0,0|3,0,1]=4 192 B10R0.71 C#CCCNCCOCCC 34a_100161115042_100000688953 [0,0,0,0,0,0|3,0,1]=4 193 B10R0.71 C#CCCNCCSCCC 2230a_100020603323_100000688953 [0,0,0,0,0,0|3,0,1]=4 194 B10R0.71 C#CCCNCOCCCC 34a_100000755551_100011995733 [0,0,0,0,0,0|3,0,1]=4 195 B10R0.71 C#CCCOCCCCC=C 34a_100000766645_100000688953 [0,0,0,0,0,0|2,0,2]=4 196 B10R0.71 C#CCCOCCCCC=C 34a_100011215631_100011215482 [0,0,0,0,0,0|2,0,2]=4 197 B10R0.71 C#CCCOCCCCC=C 7a_100000766645_100000688953 [0,0,0,0,0,0|2,0,2]=4 198 B10R0.71 C#CCCOCCCCCBr 34a_100000746331_100000688953 [0,0,0,0,0,0|3,0,1]=4 199 B10R0.71 C#CCCOCCCCCBr 7a_100000746331_100000688953 [0,0,0,0,0,0|3,0,1]=4 200 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [0,0,0,0,0,0|2,0,1]=3 201 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [0,0,0,0,0,0|2,0,1]=3 202 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [0,0,0,0,0,0|2,0,1]=3 203 B10R0.71 C#CCCOCCCCCCl 34a_100000746330_100000688953 [0,0,0,0,0,0|3,0,1]=4 204 B10R0.71 C#CCCOCCCCCCl 7a_100000746330_100000688953 [0,0,0,0,0,0|3,0,1]=4 205 B10R0.71 C#CCCOCCCCCF 34a_100011215631_100000729378 [0,0,0,0,0,0|3,0,1]=4 206 B10R0.71 C#CCCOCCCCCI 34a_200012148887_100000688953 [0,0,0,0,0,0|3,0,1]=4 207 B10R0.71 C#CCCOCCCCCI 7a_200012148887_100000688953 [0,0,0,0,0,0|3,0,1]=4 208 B10R0.71 C#CCCOCCCCCN 34a_100000762737_100000688953 [0,0,0,0,0,0|3,0,1]=4 209 B10R0.71 C#CCCOCCCCCO 34a_100011215631_100000746330 [0,0,0,0,0,0|3,0,1]=4 210 B10R0.71 C#CCCOCCCCOC 34a_100000740925_100000688953 [0,0,0,0,0,0|3,0,1]=4 211 B10R0.71 C#CCCOCCCCOC 34a_100011215631_100000755781 [0,0,0,0,0,0|3,0,1]=4 212 B10R0.71 C#CCCOCCCCSC 34a_100011217163_100000688953 [0,0,0,0,0,0|3,0,1]=4 213 B10R0.71 C#CCCOCCCCSC 7a_100011217163_100000688953 [0,0,0,0,0,0|3,0,1]=4 214 B10R0.71 C#CCCOCCCOCC 34a_100000757476_100000688953 [0,0,0,0,0,0|3,0,1]=4 215 B10R0.71 C#CCCOCCCOCC 34a_100011215631_100012232248 [0,0,0,0,0,0|3,0,1]=4 216 B10R0.71 C#CCCOCCCOCC 7a_100000757476_100000688953 [0,0,0,0,0,0|3,0,1]=4 217 B10R0.71 C#CCCOCCCSCC 34a_100011216438_100000688953 [0,0,0,0,0,0|3,0,1]=4 218 B10R0.71 C#CCCOCCCSCC 7a_100011216438_100000688953 [0,0,0,0,0,0|3,0,1]=4 219 B10R0.71 C#CCCOCCOCCC 34a_100000752267_100000688953 [0,0,0,0,0,0|3,0,1]=4 220 B10R0.71 C#CCCOCCOCCC 34a_100011215631_100011215938 [0,0,0,0,0,0|3,0,1]=4 221 B10R0.71 C#CCCOCCOCCC 7a_100000752267_100000688953 [0,0,0,0,0,0|3,0,1]=4 222 B10R0.71 C#CCCOCCSCCC 34a_200000230433_100000688953 [0,0,0,0,0,0|3,0,1]=4 223 B10R0.71 C#CCCOCCSCCC 7a_200000230433_100000688953 [0,0,0,0,0,0|3,0,1]=4 224 B10R0.71 C#CCCOCOCCCC 34a_100011215631_100011995733 [0,0,0,0,0,0|3,0,1]=4 225 B10R0.71 C#CCCSCCCCC=C 62a_100000688953_100011215482 [0,0,0,0,0,0|2,0,2]=4 226 B10R0.71 C#CCCSCCCCC=C 62a_100011215482_100000688953 [0,0,0,0,0,0|2,0,2]=4 227 B10R0.71 C#CCCSCCCCC=O 62a_100000139335_100000688953 [0,0,0,0,0,0|1,0,2]=3 228 B10R0.71 C#CCCSCCCCC=O 62a_100000688953_100000139335 [0,0,0,0,0,0|1,0,2]=3 229 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [0,0,0,0,0,0|2,0,1]=3 230 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [0,0,0,0,0,0|2,0,1]=3 231 B10R0.71 C#CCCSCCCCCF 62a_100000688953_100000729378 [0,0,0,0,0,0|3,0,1]=4 232 B10R0.71 C#CCCSCCCCCF 62a_100000729378_100000688953 [0,0,0,0,0,0|3,0,1]=4 233 B10R0.71 C#CCCSCCCCCO 62a_100000688953_100000746330 [0,0,0,0,0,0|3,0,1]=4 234 B10R0.71 C#CCCSCCCCCO 62a_100000746330_100000688953 [0,0,0,0,0,0|3,0,1]=4 235 B10R0.71 C#CCCSCCCCOC 62a_100000688953_100000730899 [0,0,0,0,0,0|3,0,1]=4 236 B10R0.71 C#CCCSCCCCOC 62a_100000730899_100000688953 [0,0,0,0,0,0|3,0,1]=4 237 B10R0.71 C#CCCSCCCOCC 62a_100000688953_100012232248 [0,0,0,0,0,0|3,0,1]=4 238 B10R0.71 C#CCCSCCCOCC 62a_100012232248_100000688953 [0,0,0,0,0,0|3,0,1]=4 239 B10R0.71 C#CCCSCCOCCC 62a_100000688953_100011215938 [0,0,0,0,0,0|3,0,1]=4 240 B10R0.71 C#CCCSCCOCCC 62a_100011215938_100000688953 [0,0,0,0,0,0|3,0,1]=4 241 B10R0.71 C#CCCSCOCCCC 62a_100000688953_100011995733 [0,0,0,0,0,0|3,0,1]=4 242 B10R0.71 C#CCCSCOCCCC 62a_100011995733_100000688953 [0,0,0,0,0,0|3,0,1]=4 243 B10R0.71 C#CCNCCCCCC=C 34a_100000212058_100000700193 [0,0,0,0,0,0|2,0,2]=4 244 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [0,0,0,0,0,0|2,0,1]=3 245 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [0,0,0,0,0,0|2,0,1]=3 246 B10R0.71 C#CCNCCCCCCF 34a_100000212058_100015922095 [0,0,0,0,0,0|3,0,1]=4 247 B10R0.71 C#CCNCCCCCCO 2230a_100000686447_100000038162 [0,0,0,0,0,0|3,0,1]=4 248 B10R0.71 C#CCNCCCCCCO 34a_100000212058_100000766143 [0,0,0,0,0,0|3,0,1]=4 249 B10R0.71 C#CCNCCCCCCO 34a_100000686447_100000184674 [0,0,0,0,0,0|3,0,1]=4 250 B10R0.71 C#CCNCCCCCOC 2230a_100000747528_100000038162 [0,0,0,0,0,0|3,0,1]=4 251 B10R0.71 C#CCNCCCCCOC 34a_100000747528_100000184674 [0,0,0,0,0,0|3,0,1]=4 252 B10R0.71 C#CCNCCCOCCC 2230a_100011217757_100000038162 [0,0,0,0,0,0|3,0,1]=4 253 B10R0.71 C#CCNCCCOCCC 34a_100011217757_100000184674 [0,0,0,0,0,0|3,0,1]=4 254 B10R0.71 C#CCNCCOCCCC 34a_100000212058_100000743108 [0,0,0,0,0,0|3,0,1]=4 255 B10R0.71 C#CCNCCSCCCC 2230a_100025743550_100000038162 [0,0,0,0,0,0|3,0,1]=4 256 B10R0.71 C#CCOCCCCCC=C 34a_100000210247_100000700193 [0,0,0,0,0,0|2,0,2]=4 257 B10R0.71 C#CCOCCCCCC=C 34a_100011216702_100000184674 [0,0,0,0,0,0|2,0,2]=4 258 B10R0.71 C#CCOCCCCCC=C 7a_100011216702_100000038162 [0,0,0,0,0,0|2,0,2]=4 259 B10R0.71 C#CCOCCCCCCBr 34a_100011215345_100000184674 [0,0,0,0,0,0|3,0,1]=4 260 B10R0.71 C#CCOCCCCCCBr 7a_100011215345_100000038162 [0,0,0,0,0,0|3,0,1]=4 261 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [0,0,0,0,0,0|2,0,1]=3 262 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [0,0,0,0,0,0|2,0,1]=3 263 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [0,0,0,0,0,0|2,0,1]=3 264 B10R0.71 C#CCOCCCCCCCl 34a_100000766143_100000184674 [0,0,0,0,0,0|3,0,1]=4 265 B10R0.71 C#CCOCCCCCCCl 7a_100000766143_100000038162 [0,0,0,0,0,0|3,0,1]=4 266 B10R0.71 C#CCOCCCCCCF 34a_100000210247_100015922095 [0,0,0,0,0,0|3,0,1]=4 267 B10R0.71 C#CCOCCCCCCF 34a_100000732779_100000184674 [0,0,0,0,0,0|3,0,1]=4 268 B10R0.71 C#CCOCCCCCCF 7a_100000732779_100000038162 [0,0,0,0,0,0|3,0,1]=4 269 B10R0.71 C#CCOCCCCCCN 34a_100000686447_100000184674 [0,0,0,0,0,0|3,0,1]=4 270 B10R0.71 C#CCOCCCCCCO 34a_100000210247_100000766143 [0,0,0,0,0,0|3,0,1]=4 271 B10R0.71 C#CCOCCCCCNC 34a_100000722520_100000184674 [0,0,0,0,0,0|3,0,1]=4 272 B10R0.71 C#CCOCCNCCCC 2230a_100000102301_100010402529 [0,0,0,0,0,0|3,0,1]=4 273 B10R0.71 C#CCOCCNCCCC 2230a_100000700922_100000210211 [0,0,0,0,0,0|3,0,1]=4 274 B10R0.71 C#CCOCCNCCCC 34a_100000700922_100000210210 [0,0,0,0,0,0|3,0,1]=4 275 B10R0.71 C#CCOCCNCCCC 7a_106832991798_100010402529 [0,0,0,0,0,0|3,0,1]=4 276 B10R0.71 C#CCOCCOCCCC 34a_100000054580_100000210210 [0,0,0,0,0,0|3,0,1]=4 277 B10R0.71 C#CCOCCOCCCC 34a_100000210227_100010402529 [0,0,0,0,0,0|3,0,1]=4 278 B10R0.71 C#CCOCCOCCCC 34a_100000210238_100000184674 [0,0,0,0,0,0|3,0,1]=4 279 B10R0.71 C#CCOCCOCCCC 34a_100000210247_100000743108 [0,0,0,0,0,0|3,0,1]=4 280 B10R0.71 C#CCOCCOCCCC 7a_100000054580_100000210211 [0,0,0,0,0,0|3,0,1]=4 281 B10R0.71 C#CCOCCOCCCC 7a_100000210227_100010402529 [0,0,0,0,0,0|3,0,1]=4 282 B10R0.71 C#CCOCCOCCCC 7a_100000210238_100000038162 [0,0,0,0,0,0|3,0,1]=4 283 B10R0.71 C#CCOCCSCCCC 34a_200000230436_100000184674 [0,0,0,0,0,0|3,0,1]=4 284 B10R0.71 C#CCOCCSCCCC 62a_100000210211_100010402529 [0,0,0,0,0,0|3,0,1]=4 285 B10R0.71 C#CCOCCSCCCC 62a_100010402529_100000210210 [0,0,0,0,0,0|3,0,1]=4 286 B10R0.71 C#CCOCCSCCCC 7a_200000230436_100000038162 [0,0,0,0,0,0|3,0,1]=4 287 B10R0.71 C#CCSCCCCCC=C 62a_100000038162_100000700193 [0,0,0,0,0,0|2,0,2]=4 288 B10R0.71 C#CCSCCCCCC=O 62a_100000038162_100000139337 [0,0,0,0,0,0|1,0,2]=3 289 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [0,0,0,0,0,0|2,0,1]=3 290 B10R0.71 C#CCSCCCCCCF 62a_100000038162_100015922095 [0,0,0,0,0,0|3,0,1]=4 291 B10R0.71 C#CCSCCCCCCO 62a_100000038162_100000766143 [0,0,0,0,0,0|3,0,1]=4 292 B10R0.71 C#CCSCCOCCCC 62a_100000038162_100000743108 [0,0,0,0,0,0|3,0,1]=4 293 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [0,0,0,0,0,0|2,0,1]=3 294 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [0,0,0,0,0,0|3,0,1]=4 295 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [0,0,0,0,0,0|3,0,1]=4 296 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [0,0,0,0,0,0|3,0,1]=4 297 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [0,0,0,0,0,0|3,0,1]=4 298 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [0,0,0,0,0,0|3,0,1]=4 299 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [0,0,0,0,0,0|3,0,1]=4 300 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [0,0,0,0,0,0|3,0,1]=4 301 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [0,0,0,0,0,0|3,0,1]=4 302 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [0,0,0,0,0,0|3,0,1]=4 303 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [0,0,0,0,0,0|3,0,1]=4 304 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [0,0,0,0,0,0|2,0,1]=3 305 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [0,0,0,0,0,0|2,0,1]=3 306 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [0,0,0,0,0,0|2,0,1]=3 307 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [0,0,0,0,0,0|3,0,1]=4 308 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [0,0,0,0,0,0|3,0,1]=4 309 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [0,0,0,0,0,0|3,0,1]=4 310 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [0,0,0,0,0,0|3,0,1]=4 311 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [0,0,0,0,0,0|3,0,1]=4 312 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [0,0,0,0,0,0|3,0,1]=4 313 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [0,0,0,0,0,0|3,0,1]=4 314 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [0,0,0,0,0,0|3,0,1]=4 315 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [0,0,0,0,0,0|3,0,1]=4 316 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [0,0,0,0,0,0|3,0,1]=4 317 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [0,0,0,0,0,0|3,0,1]=4 318 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [0,0,0,0,0,0|3,0,1]=4 319 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [0,0,0,0,0,0|3,0,1]=4 320 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [0,0,0,0,0,0|3,0,1]=4 321 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [0,0,0,0,0,0|3,0,1]=4 322 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [0,0,0,0,0,0|3,0,1]=4 323 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [0,0,0,0,0,0|3,0,1]=4 324 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [0,0,0,0,0,0|3,0,1]=4 325 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [0,0,0,0,0,0|3,0,1]=4 326 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [0,0,0,0,0,0|3,0,1]=4 327 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [0,0,0,0,0,0|3,0,1]=4 328 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [0,0,0,0,0,0|3,0,1]=4 329 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [0,0,0,0,0,0|1,0,2]=3 330 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [0,0,0,0,0,0|1,0,2]=3 331 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [0,0,0,0,0,0|2,0,1]=3 332 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [0,0,0,0,0,0|2,0,1]=3 333 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [0,0,0,0,0,0|3,0,1]=4 334 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [0,0,0,0,0,0|3,0,1]=4 335 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [0,0,0,0,0,0|3,0,1]=4 336 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [0,0,0,0,0,0|3,0,1]=4 337 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [0,0,0,0,0,0|3,0,1]=4 338 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [0,0,0,0,0,0|3,0,1]=4 339 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [0,0,0,0,0,0|3,0,1]=4 340 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [0,0,0,0,0,0|3,0,1]=4 341 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [0,0,0,0,0,0|3,0,1]=4 342 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [0,0,0,0,0,0|3,0,1]=4 343 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [0,0,0,0,0,0|3,0,1]=4 344 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [0,0,0,0,0,0|3,0,1]=4 345 B10R0.71 C=CCCC/C=C/COCC 34a_200016268473_100000210202 [0,0,0,0,0,0|2,0,2]=4 346 B10R0.71 C=CCCC/C=C/COCC 7a_200016268473_100000210202 [0,0,0,0,0,0|2,0,2]=4 347 B10R0.71 C=CCCC=NNCCCC 4a_100025702795_100011216789 [0,0,0,0,0,0|3,0,1]=4 348 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [0,0,0,0,0,0|2,0,0]=2 349 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [0,0,0,0,0,0|2,0,0]=2 350 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [0,0,0,0,0,0|2,0,0]=2 351 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [0,0,0,0,0,0|2,0,0]=2 352 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [0,0,0,0,0,0|2,0,0]=2 353 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [0,0,0,0,0,0|2,0,0]=2 354 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [0,0,0,0,0,0|2,0,0]=2 355 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [0,0,0,0,0,0|2,0,0]=2 356 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [0,0,0,0,0,0|2,0,0]=2 357 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [0,0,0,0,0,0|2,0,0]=2 358 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [0,0,0,0,0,0|2,0,0]=2 359 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [0,0,0,0,0,0|2,0,0]=2 360 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [0,0,0,0,0,0|2,0,0]=2 361 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [0,0,0,0,0,0|2,0,0]=2 362 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [0,0,0,0,0,0|2,0,0]=2 363 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [0,0,0,0,0,0|2,0,0]=2 364 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [0,0,0,0,0,0|3,0,0]=3 365 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [0,0,0,0,0,0|3,0,0]=3 366 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [0,0,0,0,0,0|2,0,0]=2 367 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [0,0,0,0,0,0|2,0,0]=2 368 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [0,0,0,0,0,0|3,0,0]=3 369 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [0,0,0,0,0,0|3,0,0]=3 370 B10R0.71 C=CCCCCCNCC=C 2230a_100020586998_100000700193 [0,0,0,0,0,0|2,0,2]=4 371 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [0,0,0,0,0,0|3,0,0]=3 372 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [0,0,0,0,0,0|3,0,0]=3 373 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [0,0,0,0,0,0|3,0,0]=3 374 B10R0.71 C=CCCCCCOCC#N 7a_100011216702_100011215382 [0,0,0,0,0,0|3,0,1]=4 375 B10R0.71 C=CCCCCCOCC=C 34a_100011216702_100015514636 [0,0,0,0,0,0|2,0,2]=4 376 B10R0.71 C=CCCCCCOCC=C 34a_200000210373_100000700193 [0,0,0,0,0,0|2,0,2]=4 377 B10R0.71 C=CCCCCCOCC=C 7a_100011216702_100015514636 [0,0,0,0,0,0|2,0,2]=4 378 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [0,0,0,0,0,0|1,0,2]=3 379 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [0,0,0,0,0,0|1,0,2]=3 380 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [0,0,0,0,0,0|3,0,0]=3 381 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [0,0,0,0,0,0|2,0,0]=2 382 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [0,0,0,0,0,0|2,0,0]=2 383 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [0,0,0,0,0,0|2,0,0]=2 384 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [0,0,0,0,0,0|3,0,0]=3 385 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [0,0,0,0,0,0|3,0,0]=3 386 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [0,0,0,0,0,0|3,0,0]=3 387 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [0,0,0,0,0,0|3,0,0]=3 388 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [0,0,0,0,0,0|3,0,0]=3 389 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [0,0,0,0,0,0|3,0,0]=3 390 B10R0.71 C=CCCCCCSCC#N 62a_100000700193_100011215382 [0,0,0,0,0,0|3,0,1]=4 391 B10R0.71 C=CCCCCCSCC#N 62a_100011215382_100000700193 [0,0,0,0,0,0|3,0,1]=4 392 B10R0.71 C=CCCCCCSCC=C 62a_100000210623_100000700193 [0,0,0,0,0,0|2,0,2]=4 393 B10R0.71 C=CCCCCCSCC=C 62a_100000700193_100000210623 [0,0,0,0,0,0|2,0,2]=4 394 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [0,0,0,0,0,0|1,0,2]=3 395 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [0,0,0,0,0,0|1,0,2]=3 396 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [0,0,0,0,0,0|2,0,0]=2 397 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [0,0,0,0,0,0|2,0,0]=2 398 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [0,0,0,0,0,0|3,0,0]=3 399 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [0,0,0,0,0,0|3,0,0]=3 400 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [0,0,0,0,0,0|3,0,0]=3 401 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [0,0,0,0,0,0|3,0,0]=3 402 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [0,0,0,0,0,0|3,0,0]=3 403 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [0,0,0,0,0,0|3,0,0]=3 404 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [0,0,0,0,0,0|3,0,0]=3 405 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [0,0,0,0,0,0|3,0,0]=3 406 B10R0.71 C=CCCCCNC/C=C/C 34a_100000703577_100102629194 [0,0,0,0,0,0|2,0,2]=4 407 B10R0.71 C=CCCCCNCC#CC 2230a_100000685387_100011215482 [0,0,0,0,0,0|2,0,2]=4 408 B10R0.71 C=CCCCCNCC#CC 2230a_100000703577_100000748600 [0,0,0,0,0,0|2,0,2]=4 409 B10R0.71 C=CCCCCNCC#CC 34a_100000685387_100011215482 [0,0,0,0,0,0|2,0,2]=4 410 B10R0.71 C=CCCCCNCC#CC 34a_100000703577_100000748600 [0,0,0,0,0,0|2,0,2]=4 411 B10R0.71 C=CCCCCNCC=CC 2230a_100000703577_100000070051 [0,0,0,0,0,0|2,0,2]=4 412 B10R0.71 C=CCCCCNCC=CC 34a_100000703577_100000070051 [0,0,0,0,0,0|2,0,2]=4 413 B10R0.71 C=CCCCCNCCC#N 2230a_100000703577_100011215226 [0,0,0,0,0,0|3,0,1]=4 414 B10R0.71 C=CCCCCNCCC=C 2230a_100000703577_100000754431 [0,0,0,0,0,0|2,0,2]=4 415 B10R0.71 C=CCCCCNCCC=C 2230a_100015191253_100011215482 [0,0,0,0,0,0|2,0,2]=4 416 B10R0.71 C=CCCCCNCCC=C 34a_100000703577_100000754431 [0,0,0,0,0,0|2,0,2]=4 417 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [0,0,0,0,0,0|2,0,0]=2 418 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [0,0,0,0,0,0|2,0,0]=2 419 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [0,0,0,0,0,0|2,0,0]=2 420 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [0,0,0,0,0,0|2,0,0]=2 421 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [0,0,0,0,0,0|3,0,0]=3 422 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [0,0,0,0,0,0|3,0,0]=3 423 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [0,0,0,0,0,0|3,0,0]=3 424 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [0,0,0,0,0,0|3,0,0]=3 425 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [0,0,0,0,0,0|3,0,0]=3 426 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [0,0,0,0,0,0|3,0,0]=3 427 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [0,0,0,0,0,0|3,0,0]=3 428 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [0,0,0,0,0,0|3,0,0]=3 429 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [0,0,0,0,0,0|3,0,0]=3 430 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [0,0,0,0,0,0|3,0,0]=3 431 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [0,0,0,0,0,0|3,0,0]=3 432 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [0,0,0,0,0,0|3,0,0]=3 433 B10R0.71 C=CCCCCOC/C=C/C 34a_100000766645_100102629194 [0,0,0,0,0,0|2,0,2]=4 434 B10R0.71 C=CCCCCOC/C=C/C 34a_100016270725_100011215482 [0,0,0,0,0,0|2,0,2]=4 435 B10R0.71 C=CCCCCOC/C=C/C 7a_100000766645_100102629194 [0,0,0,0,0,0|2,0,2]=4 436 B10R0.71 C=CCCCCOCC#CC 34a_100000761923_100011215482 [0,0,0,0,0,0|2,0,2]=4 437 B10R0.71 C=CCCCCOCC#CC 34a_100000766645_100000748600 [0,0,0,0,0,0|2,0,2]=4 438 B10R0.71 C=CCCCCOCC#CC 7a_100000766645_100000748600 [0,0,0,0,0,0|2,0,2]=4 439 B10R0.71 C=CCCCCOCC=CC 34a_100000766645_100000070051 [0,0,0,0,0,0|2,0,2]=4 440 B10R0.71 C=CCCCCOCC=CC 7a_100000766645_100000070051 [0,0,0,0,0,0|2,0,2]=4 441 B10R0.71 C=CCCCCOCCC#N 7a_100000766645_100000184422 [0,0,0,0,0,0|3,0,1]=4 442 B10R0.71 C=CCCCCOCCC=C 34a_100000766645_100000754431 [0,0,0,0,0,0|2,0,2]=4 443 B10R0.71 C=CCCCCOCCC=C 34a_100011205117_100011215482 [0,0,0,0,0,0|2,0,2]=4 444 B10R0.71 C=CCCCCOCCC=C 7a_100000766645_100000754431 [0,0,0,0,0,0|2,0,2]=4 445 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [0,0,0,0,0,0|3,0,0]=3 446 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [0,0,0,0,0,0|2,0,0]=2 447 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [0,0,0,0,0,0|2,0,0]=2 448 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [0,0,0,0,0,0|2,0,0]=2 449 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [0,0,0,0,0,0|2,0,0]=2 450 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [0,0,0,0,0,0|3,0,0]=3 451 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [0,0,0,0,0,0|3,0,0]=3 452 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [0,0,0,0,0,0|3,0,0]=3 453 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [0,0,0,0,0,0|3,0,0]=3 454 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [0,0,0,0,0,0|3,0,0]=3 455 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [0,0,0,0,0,0|3,0,0]=3 456 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [0,0,0,0,0,0|3,0,0]=3 457 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [0,0,0,0,0,0|3,0,0]=3 458 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [0,0,0,0,0,0|3,0,0]=3 459 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [0,0,0,0,0,0|3,0,0]=3 460 B10R0.71 C=CCCCCOCCON 34a_100000700252_100011215482 [0,0,0,0,0,0|4,0,0]=4 461 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [0,0,0,0,0,0|3,0,0]=3 462 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [0,0,0,0,0,0|3,0,0]=3 463 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [0,0,0,0,0,0|3,0,0]=3 464 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [0,0,0,0,0,0|3,0,0]=3 465 B10R0.71 C=CCCCCSC/C=C/C 62a_100011215482_100102629194 [0,0,0,0,0,0|2,0,2]=4 466 B10R0.71 C=CCCCCSC/C=C/C 62a_100102629194_100011215482 [0,0,0,0,0,0|2,0,2]=4 467 B10R0.71 C=CCCCCSCC#CC 62a_100000748600_100011215482 [0,0,0,0,0,0|2,0,2]=4 468 B10R0.71 C=CCCCCSCC#CC 62a_100011215482_100000748600 [0,0,0,0,0,0|2,0,2]=4 469 B10R0.71 C=CCCCCSCC=CC 62a_100000070051_100011215482 [0,0,0,0,0,0|2,0,2]=4 470 B10R0.71 C=CCCCCSCC=CC 62a_100011215482_100000070051 [0,0,0,0,0,0|2,0,2]=4 471 B10R0.71 C=CCCCCSCCC#N 62a_100011215226_100011215482 [0,0,0,0,0,0|3,0,1]=4 472 B10R0.71 C=CCCCCSCCC#N 62a_100011215482_100011215226 [0,0,0,0,0,0|3,0,1]=4 473 B10R0.71 C=CCCCCSCCC=C 62a_100000754431_100011215482 [0,0,0,0,0,0|2,0,2]=4 474 B10R0.71 C=CCCCCSCCC=C 62a_100011215482_100000754431 [0,0,0,0,0,0|2,0,2]=4 475 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [0,0,0,0,0,0|2,0,0]=2 476 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [0,0,0,0,0,0|2,0,0]=2 477 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [0,0,0,0,0,0|3,0,0]=3 478 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [0,0,0,0,0,0|3,0,0]=3 479 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [0,0,0,0,0,0|3,0,0]=3 480 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [0,0,0,0,0,0|3,0,0]=3 481 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [0,0,0,0,0,0|3,0,0]=3 482 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [0,0,0,0,0,0|3,0,0]=3 483 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [0,0,0,0,0,0|3,0,0]=3 484 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [0,0,0,0,0,0|3,0,0]=3 485 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [0,0,0,0,0,0|3,0,0]=3 486 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [0,0,0,0,0,0|3,0,0]=3 487 B10R0.71 C=CCCCNC/C=C\CC 2230a_100000700776_100103147603 [0,0,0,0,0,0|2,0,2]=4 488 B10R0.71 C=CCCCNC/C=C\CC 34a_100000700776_100103147603 [0,0,0,0,0,0|2,0,2]=4 489 B10R0.71 C=CCCCNCC#CCC 2230a_100000700776_100009813939 [0,0,0,0,0,0|2,0,2]=4 490 B10R0.71 C=CCCCNCC#CCC 34a_100000700776_100009813939 [0,0,0,0,0,0|2,0,2]=4 491 B10R0.71 C=CCCCNCCCC#N 2230a_100000700776_100000687738 [0,0,0,0,0,0|3,0,1]=4 492 B10R0.71 C=CCCCNCCCC=C 2230a_100000700776_100011713584 [0,0,0,0,0,0|2,0,2]=4 493 B10R0.71 C=CCCCNCCCC=C 34a_100000700776_100000757094 [0,0,0,0,0,0|2,0,2]=4 494 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [0,0,0,0,0,0|1,0,2]=3 495 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [0,0,0,0,0,0|2,0,0]=2 496 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [0,0,0,0,0,0|2,0,0]=2 497 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [0,0,0,0,0,0|2,0,0]=2 498 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [0,0,0,0,0,0|3,0,0]=3 499 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [0,0,0,0,0,0|3,0,0]=3 500 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [0,0,0,0,0,0|3,0,0]=3 501 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [0,0,0,0,0,0|3,0,0]=3 502 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [0,0,0,0,0,0|3,0,0]=3 503 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [0,0,0,0,0,0|3,0,0]=3 504 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [0,0,0,0,0,0|3,0,0]=3 505 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [0,0,0,0,0,0|3,0,0]=3 506 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [0,0,0,0,0,0|3,0,0]=3 507 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [0,0,0,0,0,0|3,0,0]=3 508 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [0,0,0,0,0,0|3,0,0]=3 509 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [0,0,0,0,0,0|3,0,0]=3 510 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [0,0,0,0,0,0|3,0,0]=3 511 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [0,0,0,0,0,0|3,0,0]=3 512 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [0,0,0,0,0,0|3,0,0]=3 513 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [0,0,0,0,0,0|3,0,0]=3 514 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [0,0,0,0,0,0|3,0,0]=3 515 B10R0.71 C=CCCCOC/C=C\CC 34a_100000758997_100103147603 [0,0,0,0,0,0|2,0,2]=4 516 B10R0.71 C=CCCCOC/C=C\CC 34a_100016268518_100000757094 [0,0,0,0,0,0|2,0,2]=4 517 B10R0.71 C=CCCCOC/C=C\CC 7a_100000758997_100103147603 [0,0,0,0,0,0|2,0,2]=4 518 B10R0.71 C=CCCCOCC#CCC 34a_100000032950_100000757094 [0,0,0,0,0,0|2,0,2]=4 519 B10R0.71 C=CCCCOCC#CCC 34a_100000758997_100009813939 [0,0,0,0,0,0|2,0,2]=4 520 B10R0.71 C=CCCCOCC#CCC 7a_100000758997_100009813939 [0,0,0,0,0,0|2,0,2]=4 521 B10R0.71 C=CCCCOCC/C=C/C 34a_100016278192_100000757094 [0,0,0,0,0,0|2,0,2]=4 522 B10R0.71 C=CCCCOCCC#CC 34a_100000750427_100000757094 [0,0,0,0,0,0|2,0,2]=4 523 B10R0.71 C=CCCCOCCCC#N 7a_100000758997_100000687738 [0,0,0,0,0,0|3,0,1]=4 524 B10R0.71 C=CCCCOCCCC=C 34a_100000758997_100000757094 [0,0,0,0,0,0|2,0,2]=4 525 B10R0.71 C=CCCCOCCCC=C 7a_100000758997_100000757094 [0,0,0,0,0,0|2,0,2]=4 526 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [0,0,0,0,0,0|1,0,2]=3 527 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [0,0,0,0,0,0|3,0,0]=3 528 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [0,0,0,0,0,0|2,0,0]=2 529 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [0,0,0,0,0,0|2,0,0]=2 530 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [0,0,0,0,0,0|2,0,0]=2 531 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [0,0,0,0,0,0|2,0,0]=2 532 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [0,0,0,0,0,0|3,0,0]=3 533 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [0,0,0,0,0,0|3,0,0]=3 534 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [0,0,0,0,0,0|3,0,0]=3 535 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [0,0,0,0,0,0|3,0,0]=3 536 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [0,0,0,0,0,0|3,0,0]=3 537 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [0,0,0,0,0,0|3,0,0]=3 538 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [0,0,0,0,0,0|3,0,0]=3 539 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [0,0,0,0,0,0|3,0,0]=3 540 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [0,0,0,0,0,0|3,0,0]=3 541 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [0,0,0,0,0,0|3,0,0]=3 542 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [0,0,0,0,0,0|3,0,0]=3 543 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [0,0,0,0,0,0|3,0,0]=3 544 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [0,0,0,0,0,0|3,0,0]=3 545 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [0,0,0,0,0,0|3,0,0]=3 546 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [0,0,0,0,0,0|3,0,0]=3 547 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [0,0,0,0,0,0|3,0,0]=3 548 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [0,0,0,0,0,0|3,0,0]=3 549 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [0,0,0,0,0,0|3,0,0]=3 550 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [0,0,0,0,0,0|3,0,0]=3 551 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [0,0,0,0,0,0|3,0,0]=3 552 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [0,0,0,0,0,0|3,0,0]=3 553 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [0,0,0,0,0,0|3,0,0]=3 554 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [0,0,0,0,0,0|3,0,0]=3 555 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [0,0,0,0,0,0|3,0,0]=3 556 B10R0.71 C=CCCCSC/C=C\CC 62a_100011713584_100103147603 [0,0,0,0,0,0|2,0,2]=4 557 B10R0.71 C=CCCCSC/C=C\CC 62a_100103147603_100000757094 [0,0,0,0,0,0|2,0,2]=4 558 B10R0.71 C=CCCCSCC#CCC 62a_100009813939_100000757094 [0,0,0,0,0,0|2,0,2]=4 559 B10R0.71 C=CCCCSCC#CCC 62a_100011713584_100009813939 [0,0,0,0,0,0|2,0,2]=4 560 B10R0.71 C=CCCCSCCCC#N 62a_100000687738_100000757094 [0,0,0,0,0,0|3,0,1]=4 561 B10R0.71 C=CCCCSCCCC#N 62a_100011713584_100000687738 [0,0,0,0,0,0|3,0,1]=4 562 B10R0.71 C=CCCCSCCCC=C 62a_100011713584_100000757094 [0,0,0,0,0,0|2,0,2]=4 563 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [0,0,0,0,0,0|1,0,2]=3 564 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [0,0,0,0,0,0|1,0,2]=3 565 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [0,0,0,0,0,0|2,0,0]=2 566 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [0,0,0,0,0,0|2,0,0]=2 567 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [0,0,0,0,0,0|3,0,0]=3 568 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [0,0,0,0,0,0|3,0,0]=3 569 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [0,0,0,0,0,0|3,0,0]=3 570 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [0,0,0,0,0,0|3,0,0]=3 571 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [0,0,0,0,0,0|3,0,0]=3 572 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [0,0,0,0,0,0|3,0,0]=3 573 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [0,0,0,0,0,0|3,0,0]=3 574 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [0,0,0,0,0,0|3,0,0]=3 575 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [0,0,0,0,0,0|3,0,0]=3 576 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [0,0,0,0,0,0|3,0,0]=3 577 B10R0.71 C=CCCNCC/C=C\CC 2230a_100015191253_100015370543 [0,0,0,0,0,0|2,0,2]=4 578 B10R0.71 C=CCCNCCCCC#N 2230a_100015191253_100000211819 [0,0,0,0,0,0|3,0,1]=4 579 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [0,0,0,0,0,0|1,0,2]=3 580 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [0,0,0,0,0,0|2,0,0]=2 581 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [0,0,0,0,0,0|2,0,0]=2 582 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [0,0,0,0,0,0|3,0,0]=3 583 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [0,0,0,0,0,0|3,0,0]=3 584 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [0,0,0,0,0,0|3,0,0]=3 585 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [0,0,0,0,0,0|3,0,0]=3 586 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [0,0,0,0,0,0|3,0,0]=3 587 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [0,0,0,0,0,0|3,0,0]=3 588 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [0,0,0,0,0,0|3,0,0]=3 589 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [0,0,0,0,0,0|3,0,0]=3 590 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [0,0,0,0,0,0|3,0,0]=3 591 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [0,0,0,0,0,0|3,0,0]=3 592 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [0,0,0,0,0,0|3,0,0]=3 593 B10R0.71 C=CCCNCCOCCO 2230a_100000211614_100000754431 [0,0,0,0,0,0|4,0,0]=4 594 B10R0.71 C=CCCNCCOCCO 2230a_100015191253_100011215305 [0,0,0,0,0,0|4,0,0]=4 595 B10R0.71 C=CCCNCCOCCO 34a_100000211614_100000754431 [0,0,0,0,0,0|4,0,0]=4 596 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [0,0,0,0,0,0|3,0,0]=3 597 B10R0.71 C=CCCNCCSCCO 2230a_100011219999_100000754431 [0,0,0,0,0,0|4,0,0]=4 598 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [0,0,0,0,0,0|3,0,0]=3 599 B10R0.71 C=CCCNCOCCOC 2230a_100015191253_100000231047 [0,0,0,0,0,0|4,0,0]=4 600 B10R0.71 C=CCCOC/C=C/CCC 34a_100016278788_100000754431 [0,0,0,0,0,0|2,0,2]=4 601 B10R0.71 C=CCCOC/C=C/CCC 7a_100016278788_100000754431 [0,0,0,0,0,0|2,0,2]=4 602 B10R0.71 C=CCCOCC#CCCC 34a_100000034806_100000754431 [0,0,0,0,0,0|2,0,2]=4 603 B10R0.71 C=CCCOCC#CCCC 7a_100000034806_100000754431 [0,0,0,0,0,0|2,0,2]=4 604 B10R0.71 C=CCCOCC/C=C\CC 34a_100011205117_100015370543 [0,0,0,0,0,0|2,0,2]=4 605 B10R0.71 C=CCCOCC/C=C\CC 34a_100016288707_100000754431 [0,0,0,0,0,0|2,0,2]=4 606 B10R0.71 C=CCCOCC/C=C\CC 7a_100016288707_100000754431 [0,0,0,0,0,0|2,0,2]=4 607 B10R0.71 C=CCCOCCC#CCC 34a_100000036655_100000754431 [0,0,0,0,0,0|2,0,2]=4 608 B10R0.71 C=CCCOCCC#CCC 7a_100000036655_100000754431 [0,0,0,0,0,0|2,0,2]=4 609 B10R0.71 C=CCCOCCCC=CC 34a_100020645299_100000754431 [0,0,0,0,0,0|2,0,2]=4 610 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [0,0,0,0,0,0|3,0,0]=3 611 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [0,0,0,0,0,0|3,0,0]=3 612 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [0,0,0,0,0,0|2,0,0]=2 613 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [0,0,0,0,0,0|2,0,0]=2 614 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [0,0,0,0,0,0|2,0,0]=2 615 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [0,0,0,0,0,0|3,0,0]=3 616 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [0,0,0,0,0,0|3,0,0]=3 617 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [0,0,0,0,0,0|3,0,0]=3 618 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [0,0,0,0,0,0|3,0,0]=3 619 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [0,0,0,0,0,0|3,0,0]=3 620 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [0,0,0,0,0,0|3,0,0]=3 621 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [0,0,0,0,0,0|3,0,0]=3 622 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [0,0,0,0,0,0|3,0,0]=3 623 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [0,0,0,0,0,0|3,0,0]=3 624 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [0,0,0,0,0,0|3,0,0]=3 625 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [0,0,0,0,0,0|3,0,0]=3 626 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [0,0,0,0,0,0|3,0,0]=3 627 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [0,0,0,0,0,0|3,0,0]=3 628 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [0,0,0,0,0,0|3,0,0]=3 629 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [0,0,0,0,0,0|3,0,0]=3 630 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [0,0,0,0,0,0|3,0,0]=3 631 B10R0.71 C=CCCOCCOCCBr 34a_100000692535_100000754431 [0,0,0,0,0,0|4,0,0]=4 632 B10R0.71 C=CCCOCCOCCBr 7a_100000692535_100000754431 [0,0,0,0,0,0|4,0,0]=4 633 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [0,0,0,0,0,0|3,0,0]=3 634 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [0,0,0,0,0,0|3,0,0]=3 635 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [0,0,0,0,0,0|3,0,0]=3 636 B10R0.71 C=CCCOCCOCCCl 34a_100011215305_100000754431 [0,0,0,0,0,0|4,0,0]=4 637 B10R0.71 C=CCCOCCOCCCl 7a_100011215305_100000754431 [0,0,0,0,0,0|4,0,0]=4 638 B10R0.71 C=CCCOCCOCCF 34a_200015357709_100000754431 [0,0,0,0,0,0|4,0,0]=4 639 B10R0.71 C=CCCOCCOCCF 7a_200015357709_100000754431 [0,0,0,0,0,0|4,0,0]=4 640 B10R0.71 C=CCCOCCOCCI 34a_100012149058_100000754431 [0,0,0,0,0,0|4,0,0]=4 641 B10R0.71 C=CCCOCCOCCI 7a_100012149058_100000754431 [0,0,0,0,0,0|4,0,0]=4 642 B10R0.71 C=CCCOCCOCCN 34a_100000211614_100000754431 [0,0,0,0,0,0|4,0,0]=4 643 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [0,0,0,0,0,0|4,0,0]=4 644 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [0,0,0,0,0,0|3,0,0]=3 645 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [0,0,0,0,0,0|3,0,0]=3 646 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [0,0,0,0,0,0|3,0,0]=3 647 B10R0.71 C=CCCSCC/C=C\CC 62a_100000754431_100015370543 [0,0,0,0,0,0|2,0,2]=4 648 B10R0.71 C=CCCSCC/C=C\CC 62a_100015370543_100000754431 [0,0,0,0,0,0|2,0,2]=4 649 B10R0.71 C=CCCSCCCCC#N 62a_100000754431_100000211819 [0,0,0,0,0,0|3,0,1]=4 650 B10R0.71 C=CCCSCCCCC#N 62a_100011219923_100000754431 [0,0,0,0,0,0|3,0,1]=4 651 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [0,0,0,0,0,0|1,0,2]=3 652 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [0,0,0,0,0,0|1,0,2]=3 653 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [0,0,0,0,0,0|2,0,0]=2 654 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [0,0,0,0,0,0|2,0,0]=2 655 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [0,0,0,0,0,0|3,0,0]=3 656 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [0,0,0,0,0,0|3,0,0]=3 657 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [0,0,0,0,0,0|3,0,0]=3 658 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [0,0,0,0,0,0|3,0,0]=3 659 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [0,0,0,0,0,0|3,0,0]=3 660 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [0,0,0,0,0,0|3,0,0]=3 661 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [0,0,0,0,0,0|3,0,0]=3 662 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [0,0,0,0,0,0|3,0,0]=3 663 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [0,0,0,0,0,0|3,0,0]=3 664 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [0,0,0,0,0,0|3,0,0]=3 665 B10R0.71 C=CCCSCCOCCO 62a_100000754431_100011215305 [0,0,0,0,0,0|4,0,0]=4 666 B10R0.71 C=CCCSCCOCCO 62a_100011215305_100000754431 [0,0,0,0,0,0|4,0,0]=4 667 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [0,0,0,0,0,0|3,0,0]=3 668 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [0,0,0,0,0,0|3,0,0]=3 669 B10R0.71 C=CCCSCOCCOC 62a_100000231047_100000754431 [0,0,0,0,0,0|4,0,0]=4 670 B10R0.71 C=CCCSCOCCOC 62a_100000754431_100000231047 [0,0,0,0,0,0|4,0,0]=4 671 B10R0.71 C=CCNCCCCCC#N 2230a_100020586998_100009813376 [0,0,0,0,0,0|3,0,1]=4 672 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [0,0,0,0,0,0|1,0,2]=3 673 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [0,0,0,0,0,0|2,0,0]=2 674 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [0,0,0,0,0,0|2,0,0]=2 675 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [0,0,0,0,0,0|3,0,0]=3 676 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [0,0,0,0,0,0|3,0,0]=3 677 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [0,0,0,0,0,0|3,0,0]=3 678 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [0,0,0,0,0,0|3,0,0]=3 679 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [0,0,0,0,0,0|3,0,0]=3 680 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [0,0,0,0,0,0|3,0,0]=3 681 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [0,0,0,0,0,0|3,0,0]=3 682 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [0,0,0,0,0,0|3,0,0]=3 683 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [0,0,0,0,0,0|3,0,0]=3 684 B10R0.71 C=CCNCCOCCOC 2230a_100000745349_100000210623 [0,0,0,0,0,0|4,0,0]=4 685 B10R0.71 C=CCNCCOCCOC 2230a_100020586998_100000695917 [0,0,0,0,0,0|4,0,0]=4 686 B10R0.71 C=CCNCCOCCOC 34a_100000745349_100015514636 [0,0,0,0,0,0|4,0,0]=4 687 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [0,0,0,0,0,0|3,0,0]=3 688 B10R0.71 C=CCOC/C=C/CCCC 34a_200016272032_100015514636 [0,0,0,0,0,0|2,0,2]=4 689 B10R0.71 C=CCOC/C=C/CCCC 7a_200016272032_100015514636 [0,0,0,0,0,0|2,0,2]=4 690 B10R0.71 C=CCOCC#CCCCC 34a_200000034558_100015514636 [0,0,0,0,0,0|2,0,2]=4 691 B10R0.71 C=CCOCC#CCCCC 7a_200000034558_100015514636 [0,0,0,0,0,0|2,0,2]=4 692 B10R0.71 C=CCOCCC#CCCC 34a_100000042726_100015514636 [0,0,0,0,0,0|2,0,2]=4 693 B10R0.71 C=CCOCCC#CCCC 7a_100000042726_100015514636 [0,0,0,0,0,0|2,0,2]=4 694 B10R0.71 C=CCOCCC/C=C/CC 34a_100016287902_100015514636 [0,0,0,0,0,0|2,0,2]=4 695 B10R0.71 C=CCOCCC/C=C/CC 7a_100016287902_100015514636 [0,0,0,0,0,0|2,0,2]=4 696 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [0,0,0,0,0,0|3,0,0]=3 697 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [0,0,0,0,0,0|3,0,0]=3 698 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [0,0,0,0,0,0|2,0,0]=2 699 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [0,0,0,0,0,0|2,0,0]=2 700 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [0,0,0,0,0,0|2,0,0]=2 701 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [0,0,0,0,0,0|3,0,0]=3 702 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [0,0,0,0,0,0|3,0,0]=3 703 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [0,0,0,0,0,0|3,0,0]=3 704 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [0,0,0,0,0,0|3,0,0]=3 705 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [0,0,0,0,0,0|3,0,0]=3 706 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [0,0,0,0,0,0|3,0,0]=3 707 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [0,0,0,0,0,0|3,0,0]=3 708 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [0,0,0,0,0,0|3,0,0]=3 709 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [0,0,0,0,0,0|3,0,0]=3 710 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [0,0,0,0,0,0|3,0,0]=3 711 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [0,0,0,0,0,0|3,0,0]=3 712 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [0,0,0,0,0,0|3,0,0]=3 713 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [0,0,0,0,0,0|3,0,0]=3 714 B10R0.71 C=CCOCCOCCCF 34a_100000037705_100011934791 [0,0,0,0,0,0|4,0,0]=4 715 B10R0.71 C=CCOCCOCCCF 7a_100000037705_100011934791 [0,0,0,0,0,0|4,0,0]=4 716 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [0,0,0,0,0,0|4,0,0]=4 717 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [0,0,0,0,0,0|4,0,0]=4 718 B10R0.71 C=CCOCCOCCNC 34a_100000228057_100015514636 [0,0,0,0,0,0|4,0,0]=4 719 B10R0.71 C=CCOCCOCCOC 34a_100000037705_100011201679 [0,0,0,0,0,0|4,0,0]=4 720 B10R0.71 C=CCOCCOCCOC 34a_100000065479_200000210301 [0,0,0,0,0,0|4,0,0]=4 721 B10R0.71 C=CCOCCOCCOC 34a_100011215163_100015514636 [0,0,0,0,0,0|4,0,0]=4 722 B10R0.71 C=CCOCCOCCOC 34a_200000210373_100000695917 [0,0,0,0,0,0|4,0,0]=4 723 B10R0.71 C=CCOCCOCCOC 7a_100000037705_100000233755 [0,0,0,0,0,0|4,0,0]=4 724 B10R0.71 C=CCOCCOCCOC 7a_100000065479_200000210301 [0,0,0,0,0,0|4,0,0]=4 725 B10R0.71 C=CCOCCOCCOC 7a_100011215163_100015514636 [0,0,0,0,0,0|4,0,0]=4 726 B10R0.71 C=CCOCCOCCO[13CH3] 34a_100000065479_200025704644 [0,0,0,0,0,0|4,0,0]=4 727 B10R0.71 C=CCOCCOCCO[13CH3] 7a_100000065479_200025704644 [0,0,0,0,0,0|4,0,0]=4 728 B10R0.71 C=CCOCCOCCSC 34a_100000037705_100000212216 [0,0,0,0,0,0|4,0,0]=4 729 B10R0.71 C=CCOCCOCCSC 7a_100000037705_100000212216 [0,0,0,0,0,0|4,0,0]=4 730 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [0,0,0,0,0,0|3,0,0]=3 731 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [0,0,0,0,0,0|3,0,0]=3 732 B10R0.71 C=CCSCCCCCC#N 62a_100000210623_100009813376 [0,0,0,0,0,0|3,0,1]=4 733 B10R0.71 C=CCSCCCCCC#N 62a_100009813376_100000210623 [0,0,0,0,0,0|3,0,1]=4 734 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [0,0,0,0,0,0|1,0,2]=3 735 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [0,0,0,0,0,0|1,0,2]=3 736 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [0,0,0,0,0,0|2,0,0]=2 737 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [0,0,0,0,0,0|2,0,0]=2 738 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [0,0,0,0,0,0|3,0,0]=3 739 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [0,0,0,0,0,0|3,0,0]=3 740 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [0,0,0,0,0,0|3,0,0]=3 741 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [0,0,0,0,0,0|3,0,0]=3 742 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [0,0,0,0,0,0|3,0,0]=3 743 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [0,0,0,0,0,0|3,0,0]=3 744 B10R0.71 C=CCSCCOCCOC 62a_100000210623_100000695917 [0,0,0,0,0,0|4,0,0]=4 745 B10R0.71 C=CCSCCOCCOC 62a_100000695917_100000210623 [0,0,0,0,0,0|4,0,0]=4 746 B10R0.71 C=COCCCCOCC=O 34a_100000031558_200009817547 [0,0,0,0,0,0|2,0,2]=4 747 B10R0.71 C=COCCCCOCC=O 7a_100000031558_200015260668 [0,0,0,0,0,0|2,0,2]=4 748 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [0,0,0,0,0,0|3,0,0]=3 749 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [0,0,0,0,0,0|3,0,0]=3 750 B10R0.71 C=COCCCCOCCF 34a_100000031558_100011217306 [0,0,0,0,0,0|4,0,0]=4 751 B10R0.71 C=COCCCCOCCF 7a_100000031558_100011217306 [0,0,0,0,0,0|4,0,0]=4 752 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [0,0,0,0,0,0|4,0,0]=4 753 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [0,0,0,0,0,0|4,0,0]=4 754 B10R0.71 C=COCCCCOCSC 34a_100000031558_100011218213 [0,0,0,0,0,0|4,0,0]=4 755 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [0,0,0,0,0,0|3,0,0]=3 756 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [0,0,0,0,0,0|3,0,0]=3 757 B10R0.71 C=COCCCNCCCF 2230a_100000210767_100011934791 [0,0,0,0,0,0|4,0,0]=4 758 B10R0.71 C=COCCCNCCCF 34a_100000210767_100011934791 [0,0,0,0,0,0|4,0,0]=4 759 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [0,0,0,0,0,0|4,0,0]=4 760 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [0,0,0,0,0,0|4,0,0]=4 761 B10R0.71 C=COCCCNCCOC 2230a_100000210767_100011201679 [0,0,0,0,0,0|4,0,0]=4 762 B10R0.71 C=COCCCNCCOC 34a_100000210767_100011201679 [0,0,0,0,0,0|4,0,0]=4 763 B10R0.71 C=COCCCNCCSC 2230a_100000210767_100000751147 [0,0,0,0,0,0|4,0,0]=4 764 B10R0.71 C=COCCCNCCSC 34a_100000210767_100000212216 [0,0,0,0,0,0|4,0,0]=4 765 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [0,0,0,0,0,0|3,0,0]=3 766 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [0,0,0,0,0,0|4,0,0]=4 767 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [0,0,0,0,0,0|4,0,0]=4 768 B10R0.71 C=COCCNCCCOC 34a_100150723488_100000039644 [0,0,0,0,0,0|4,0,0]=4 769 B10R0.71 C=COCCNCCCSC 2230a_100000749238_100000039644 [0,0,0,0,0,0|4,0,0]=4 770 B10R0.71 C=COCCNCCOCC 2230a_102516460346_100000039644 [0,0,0,0,0,0|4,0,0]=4 771 B10R0.71 C=COCCNCCOCC 34a_102516460346_100000039644 [0,0,0,0,0,0|4,0,0]=4 772 B10R0.71 C=COCCNCCSCC 2230a_100000106463_100000039644 [0,0,0,0,0,0|4,0,0]=4 773 B10R0.71 C=COCCOCCCCBr 34a_100011216708_100000039644 [0,0,0,0,0,0|4,0,0]=4 774 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [0,0,0,0,0,0|3,0,0]=3 775 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [0,0,0,0,0,0|3,0,0]=3 776 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [0,0,0,0,0,0|3,0,0]=3 777 B10R0.71 C=COCCOCCCCCl 34a_100000210776_100000039644 [0,0,0,0,0,0|4,0,0]=4 778 B10R0.71 C=COCCOCCCCCl 7a_100000210776_100000039644 [0,0,0,0,0,0|4,0,0]=4 779 B10R0.71 C=COCCOCCCCF 34a_100000033082_100000729493 [0,0,0,0,0,0|4,0,0]=4 780 B10R0.71 C=COCCOCCCCF 34a_100011995726_100000039644 [0,0,0,0,0,0|4,0,0]=4 781 B10R0.71 C=COCCOCCCCF 7a_100011995726_100000039644 [0,0,0,0,0,0|4,0,0]=4 782 B10R0.71 C=COCCOCCCCI 34a_200012148704_100000039644 [0,0,0,0,0,0|4,0,0]=4 783 B10R0.71 C=COCCOCCCCN 34a_100000750430_100000039644 [0,0,0,0,0,0|4,0,0]=4 784 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [0,0,0,0,0,0|4,0,0]=4 785 B10R0.71 C=COCCOCCCNC 34a_100000213112_100000039644 [0,0,0,0,0,0|4,0,0]=4 786 B10R0.71 C=COCCOCCCOC 34a_100000033082_100000740836 [0,0,0,0,0,0|4,0,0]=4 787 B10R0.71 C=COCCOCCCOC 34a_100000740835_100000039644 [0,0,0,0,0,0|4,0,0]=4 788 B10R0.71 C=COCCOCCCSC 34a_100000690336_100000039644 [0,0,0,0,0,0|4,0,0]=4 789 B10R0.71 C=COCCOCCCSC 7a_100000690336_100000039644 [0,0,0,0,0,0|4,0,0]=4 790 B10R0.71 C=COCCOCCOCC 34a_100000033082_100000210147 [0,0,0,0,0,0|4,0,0]=4 791 B10R0.71 C=COCCOCCOCC 34a_100000039918_100000210202 [0,0,0,0,0,0|4,0,0]=4 792 B10R0.71 C=COCCOCCOCC 34a_100000210136_100000039644 [0,0,0,0,0,0|4,0,0]=4 793 B10R0.71 C=COCCOCCOCC 7a_100000039918_100000210202 [0,0,0,0,0,0|4,0,0]=4 794 B10R0.71 C=COCCOCCOCC 7a_100000210136_100000039644 [0,0,0,0,0,0|4,0,0]=4 795 B10R0.71 C=COCCOCCSCC 34a_100000033082_100000757381 [0,0,0,0,0,0|4,0,0]=4 796 B10R0.71 C=COCCOCCSCC 34a_100000212035_100000039644 [0,0,0,0,0,0|4,0,0]=4 797 B10R0.71 C=COCCOCCSCC 7a_100000212035_100000039644 [0,0,0,0,0,0|4,0,0]=4 798 B10R0.71 C=COCCSCCCC=O 62a_100000039644_200011292268 [0,0,0,0,0,0|2,0,2]=4 799 B10R0.71 C=COCCSCCCC=O 62a_200011292268_100000039644 [0,0,0,0,0,0|2,0,2]=4 800 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [0,0,0,0,0,0|3,0,0]=3 801 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [0,0,0,0,0,0|3,0,0]=3 802 B10R0.71 C=COCCSCCCCF 62a_100000039644_100000729493 [0,0,0,0,0,0|4,0,0]=4 803 B10R0.71 C=COCCSCCCCF 62a_100000729493_100000039644 [0,0,0,0,0,0|4,0,0]=4 804 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [0,0,0,0,0,0|4,0,0]=4 805 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [0,0,0,0,0,0|4,0,0]=4 806 B10R0.71 C=COCCSCCCOC 62a_100000039644_100000709357 [0,0,0,0,0,0|4,0,0]=4 807 B10R0.71 C=COCCSCCCOC 62a_100000709357_100000039644 [0,0,0,0,0,0|4,0,0]=4 808 B10R0.71 C=COCCSCCOCC 62a_100000039644_100011215890 [0,0,0,0,0,0|4,0,0]=4 809 B10R0.71 C=COCCSCCOCC 62a_100000210147_100000039644 [0,0,0,0,0,0|4,0,0]=4 810 B10R0.71 C=COCCSCCSCC 62a_100000039644_100000757381 [0,0,0,0,0,0|4,0,0]=4 811 B10R0.71 C=COCCSCCSCC 62a_100000757381_100000039644 [0,0,0,0,0,0|4,0,0]=4 812 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [0,0,0,0,0,0|2,0,2]=4 813 B10R0.71 CC#CCNCCCCC=O 2230a_100000685387_100000139335 [0,0,0,0,0,0|1,0,2]=3 814 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [0,0,0,0,0,0|2,0,2]=4 815 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [0,0,0,0,0,0|2,0,2]=4 816 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [0,0,0,0,0,0|2,0,2]=4 817 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [0,0,0,0,0,0|2,0,2]=4 818 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [0,0,0,0,0,0|2,0,2]=4 819 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [0,0,0,0,0,0|2,0,2]=4 820 B10R0.71 CC#CCSCCCCC=O 62a_100000139335_100000748600 [0,0,0,0,0,0|1,0,2]=3 821 B10R0.71 CC#CCSCCCCC=O 62a_100000748600_100000139335 [0,0,0,0,0,0|1,0,2]=3 822 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [0,0,0,0,0,0|2,0,2]=4 823 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [0,0,0,0,0,0|2,0,2]=4 824 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [0,0,0,0,0,0|1,0,2]=3 825 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [0,0,0,0,0,0|1,0,2]=3 826 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [0,0,0,0,0,0|2,0,2]=4 827 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,0,0,0,0,0|2,0,2]=4 828 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,0,0,0,0,0|2,0,2]=4 829 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,0,0,0,0,0|2,0,2]=4 830 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,0,0,0,0,0|2,0,2]=4 831 B10R0.71 CC/C=C\CSCCCC=O 62a_100103147603_200011292268 [0,0,0,0,0,0|1,0,2]=3 832 B10R0.71 CC/C=C\CSCCCC=O 62a_200011292268_100103147603 [0,0,0,0,0,0|1,0,2]=3 833 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [0,0,0,0,0,0|2,0,2]=4 834 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [0,0,0,0,0,0|2,0,1]=3 835 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [0,0,0,0,0,0|3,0,1]=4 836 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [0,0,0,0,0,0|3,0,1]=4 837 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [0,0,0,0,0,0|3,0,1]=4 838 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [0,0,0,0,0,0|3,0,1]=4 839 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [0,0,0,0,0,0|2,0,1]=3 840 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [0,0,0,0,0,0|3,0,1]=4 841 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [0,0,0,0,0,0|3,0,1]=4 842 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [0,0,0,0,0,0|3,0,1]=4 843 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [0,0,0,0,0,0|3,0,1]=4 844 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [0,0,0,0,0,0|3,0,1]=4 845 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [0,0,0,0,0,0|3,0,1]=4 846 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [0,0,0,0,0,0|3,0,1]=4 847 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [0,0,0,0,0,0|3,0,1]=4 848 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [0,0,0,0,0,0|3,0,1]=4 849 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [0,0,0,0,0,0|2,0,1]=3 850 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [0,0,0,0,0,0|2,0,1]=3 851 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [0,0,0,0,0,0|3,0,1]=4 852 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [0,0,0,0,0,0|3,0,1]=4 853 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [0,0,0,0,0,0|3,0,1]=4 854 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [0,0,0,0,0,0|3,0,1]=4 855 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [0,0,0,0,0,0|3,0,1]=4 856 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [0,0,0,0,0,0|3,0,1]=4 857 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [0,0,0,0,0,0|3,0,1]=4 858 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [0,0,0,0,0,0|3,0,1]=4 859 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [0,0,0,0,0,0|3,0,1]=4 860 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [0,0,0,0,0,0|3,0,1]=4 861 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [0,0,0,0,0,0|3,0,1]=4 862 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [0,0,0,0,0,0|3,0,1]=4 863 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [0,0,0,0,0,0|3,0,1]=4 864 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [0,0,0,0,0,0|3,0,1]=4 865 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [0,0,0,0,0,0|3,0,1]=4 866 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [0,0,0,0,0,0|3,0,1]=4 867 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [0,0,0,0,0,0|1,0,2]=3 868 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [0,0,0,0,0,0|1,0,2]=3 869 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [0,0,0,0,0,0|2,0,1]=3 870 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [0,0,0,0,0,0|2,0,1]=3 871 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [0,0,0,0,0,0|3,0,1]=4 872 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [0,0,0,0,0,0|3,0,1]=4 873 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [0,0,0,0,0,0|3,0,1]=4 874 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [0,0,0,0,0,0|3,0,1]=4 875 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [0,0,0,0,0,0|3,0,1]=4 876 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [0,0,0,0,0,0|3,0,1]=4 877 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [0,0,0,0,0,0|3,0,1]=4 878 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [0,0,0,0,0,0|3,0,1]=4 879 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [0,0,0,0,0,0|3,0,1]=4 880 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [0,0,0,0,0,0|3,0,1]=4 881 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [0,0,0,0,0,0|3,0,1]=4 882 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [0,0,0,0,0,0|3,0,1]=4 883 B10R0.71 CCC#CCSCCCC=O 62a_100009813939_200011292268 [0,0,0,0,0,0|1,0,2]=3 884 B10R0.71 CCC#CCSCCCC=O 62a_200011292268_100009813939 [0,0,0,0,0,0|1,0,2]=3 885 B10R0.71 CCCC#CCCOCC=O 34a_100000042726_200009817547 [0,0,0,0,0,0|1,0,2]=3 886 B10R0.71 CCCC#CCCOCC=O 7a_100000042726_200015260668 [0,0,0,0,0,0|1,0,2]=3 887 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [0,0,0,0,0,0|1,0,2]=3 888 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [0,0,0,0,0,0|1,0,2]=3 889 B10R0.71 CCCCC#CCCCNC 2230a_106832991635_200000047210 [0,0,0,0,0,0|2,0,2]=4 890 B10R0.71 CCCCC#CCCCNC 34a_100102657272_200000047210 [0,0,0,0,0,0|2,0,2]=4 891 B10R0.71 CCCCC#CCCCNC 7a_106832991635_200000047210 [0,0,0,0,0,0|2,0,2]=4 892 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [0,0,0,0,0,0|2,0,2]=4 893 B10R0.71 CCCCC#CCCCSC 62a_200000047210_200000210301 [0,0,0,0,0,0|2,0,2]=4 894 B10R0.71 CCCCC#CCCCSC 62a_200000210301_200000047210 [0,0,0,0,0,0|2,0,2]=4 895 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200000047210_200025704644 [0,0,0,0,0,0|2,0,2]=4 896 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200025704644_200000047210 [0,0,0,0,0,0|2,0,2]=4 897 B10R0.71 CCCCC#CCOCC=O 34a_200000034558_200009817547 [0,0,0,0,0,0|1,0,2]=3 898 B10R0.71 CCCCC#CCOCC=O 7a_200000034558_200015260668 [0,0,0,0,0,0|1,0,2]=3 899 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [0,0,0,0,0,0|2,0,2]=4 900 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [0,0,0,0,0,0|2,0,2]=4 901 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [0,0,0,0,0,0|2,0,2]=4 902 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [0,0,0,0,0,0|2,0,2]=4 903 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [0,0,0,0,0,0|2,0,2]=4 904 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [0,0,0,0,0,0|2,0,2]=4 905 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [0,0,0,0,0,0|2,0,2]=4 906 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [0,0,0,0,0,0|2,0,2]=4 907 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,0,0,0,0,0|2,0,2]=4 908 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,0,0,0,0,0|2,0,2]=4 909 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,0,0,0,0,0|2,0,2]=4 910 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,0,0,0,0,0|2,0,2]=4 911 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [0,0,0,0,0,0|2,0,2]=4 912 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [0,0,0,0,0,0|2,0,2]=4 913 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [0,0,0,0,0,0|2,0,2]=4 914 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [0,0,0,0,0,0|2,0,2]=4 915 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [0,0,0,0,0,0|2,0,0]=2 916 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [0,0,0,0,0,0|2,0,0]=2 917 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [0,0,0,0,0,0|2,0,0]=2 918 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [0,0,0,0,0,0|2,0,0]=2 919 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [0,0,0,0,0,0|2,0,0]=2 920 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [0,0,0,0,0,0|2,0,0]=2 921 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [0,0,0,0,0,0|2,0,0]=2 922 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [0,0,0,0,0,0|2,0,0]=2 923 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [0,0,0,0,0,0|2,0,0]=2 924 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [0,0,0,0,0,0|2,0,0]=2 925 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [0,0,0,0,0,0|2,0,0]=2 926 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [0,0,0,0,0,0|2,0,0]=2 927 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [0,0,0,0,0,0|2,0,0]=2 928 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [0,0,0,0,0,0|2,0,0]=2 929 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [0,0,0,0,0,0|2,0,1]=3 930 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [0,0,0,0,0,0|2,0,1]=3 931 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [0,0,0,0,0,0|2,0,1]=3 932 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [0,0,0,0,0,0|2,0,1]=3 933 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [0,0,0,0,0,0|2,0,1]=3 934 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [0,0,0,0,0,0|2,0,1]=3 935 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [0,0,0,0,0,0|2,0,1]=3 936 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [0,0,0,0,0,0|2,0,1]=3 937 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [0,0,0,0,0,0|2,0,1]=3 938 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [0,0,0,0,0,0|2,0,1]=3 939 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [0,0,0,0,0,0|2,0,1]=3 940 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [0,0,0,0,0,0|2,0,1]=3 941 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [0,0,0,0,0,0|2,0,1]=3 942 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [0,0,0,0,0,0|2,0,1]=3 943 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [0,0,0,0,0,0|1,0,0]=1 944 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [0,0,0,0,0,0|2,0,1]=3 945 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [0,0,0,0,0,0|2,0,1]=3 946 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [0,0,0,0,0,0|2,0,1]=3 947 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [0,0,0,0,0,0|1,0,2]=3 948 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [0,0,0,0,0,0|1,0,2]=3 949 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [0,0,0,0,0,0|1,0,2]=3 950 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [0,0,0,0,0,0|3,0,0]=3 951 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [0,0,0,0,0,0|3,0,0]=3 952 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [0,0,0,0,0,0|2,0,1]=3 953 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [0,0,0,0,0,0|1,0,0]=1 954 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [0,0,0,0,0,0|1,0,0]=1 955 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [0,0,0,0,0,0|2,0,1]=3 956 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [0,0,0,0,0,0|2,0,1]=3 957 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [0,0,0,0,0,0|2,0,1]=3 958 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [0,0,0,0,0,0|2,0,1]=3 959 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [0,0,0,0,0,0|2,0,1]=3 960 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [0,0,0,0,0,0|2,0,1]=3 961 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [0,0,0,0,0,0|2,0,1]=3 962 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,0,0,0,0,0|1,0,2]=3 963 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,0,0,0,0,0|1,0,2]=3 964 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [0,0,0,0,0,0|3,0,0]=3 965 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [0,0,0,0,0,0|2,0,1]=3 966 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [0,0,0,0,0,0|2,0,1]=3 967 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [0,0,0,0,0,0|1,0,0]=1 968 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [0,0,0,0,0,0|1,0,0]=1 969 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [0,0,0,0,0,0|2,0,1]=3 970 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [0,0,0,0,0,0|2,0,1]=3 971 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [0,0,0,0,0,0|2,0,1]=3 972 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [0,0,0,0,0,0|2,0,1]=3 973 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [0,0,0,0,0,0|1,0,2]=3 974 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [0,0,0,0,0,0|1,0,2]=3 975 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [0,0,0,0,0,0|3,0,0]=3 976 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [0,0,0,0,0,0|3,0,0]=3 977 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [0,0,0,0,0,0|3,0,0]=3 978 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [0,0,0,0,0,0|3,0,0]=3 979 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [0,0,0,0,0,0|2,0,1]=3 980 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [0,0,0,0,0,0|2,0,1]=3 981 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [0,0,0,0,0,0|2,0,1]=3 982 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [0,0,0,0,0,0|2,0,1]=3 983 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [0,0,0,0,0,0|2,0,1]=3 984 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [0,0,0,0,0,0|2,0,1]=3 985 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [0,0,0,0,0,0|2,0,1]=3 986 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [0,0,0,0,0,0|1,0,2]=3 987 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [0,0,0,0,0,0|3,0,0]=3 988 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [0,0,0,0,0,0|3,0,0]=3 989 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [0,0,0,0,0,0|3,0,0]=3 990 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [0,0,0,0,0,0|3,0,0]=3 991 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [0,0,0,0,0,0|2,0,1]=3 992 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [0,0,0,0,0,0|2,0,1]=3 993 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [0,0,0,0,0,0|2,0,1]=3 994 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [0,0,0,0,0,0|2,0,1]=3 995 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [0,0,0,0,0,0|2,0,1]=3 996 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [0,0,0,0,0,0|2,0,1]=3 997 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [0,0,0,0,0,0|2,0,1]=3 998 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [0,0,0,0,0,0|2,0,1]=3 999 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [0,0,0,0,0,0|2,0,1]=3 1000 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [0,0,0,0,0,0|2,0,1]=3 1001 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [0,0,0,0,0,0|2,0,1]=3 1002 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [0,0,0,0,0,0|1,0,2]=3 1003 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [0,0,0,0,0,0|1,0,2]=3 1004 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [0,0,0,0,0,0|3,0,0]=3 1005 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [0,0,0,0,0,0|3,0,0]=3 1006 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [0,0,0,0,0,0|3,0,0]=3 1007 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [0,0,0,0,0,0|3,0,0]=3 1008 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [0,0,0,0,0,0|3,0,0]=3 1009 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [0,0,0,0,0,0|3,0,0]=3 1010 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [0,0,0,0,0,0|3,0,0]=3 1011 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [0,0,0,0,0,0|3,0,0]=3 1012 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [0,0,0,0,0,0|3,0,0]=3 1013 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [0,0,0,0,0,0|3,0,0]=3 1014 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [0,0,0,0,0,0|3,0,0]=3 1015 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [0,0,0,0,0,0|3,0,0]=3 1016 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [0,0,0,0,0,0|2,0,1]=3 1017 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [0,0,0,0,0,0|2,0,1]=3 1018 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [0,0,0,0,0,0|2,0,1]=3 1019 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [0,0,0,0,0,0|2,0,1]=3 1020 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [0,0,0,0,0,0|2,0,1]=3 1021 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [0,0,0,0,0,0|2,0,1]=3 1022 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [0,0,0,0,0,0|1,0,2]=3 1023 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [0,0,0,0,0,0|1,0,2]=3 1024 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [0,0,0,0,0,0|3,0,0]=3 1025 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [0,0,0,0,0,0|3,0,0]=3 1026 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [0,0,0,0,0,0|3,0,0]=3 1027 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [0,0,0,0,0,0|3,0,0]=3 1028 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [0,0,0,0,0,0|3,0,1]=4 1029 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [0,0,0,0,0,0|3,0,1]=4 1030 B10R0.71 CCCCCCSCSC#N 62a_100000210314_100000211825 [0,0,0,0,0,0|3,0,1]=4 1031 B10R0.71 CCCCCCSCSC#N 62a_100000211825_100000210757 [0,0,0,0,0,0|3,0,1]=4 1032 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [0,0,0,0,0,0|2,0,1]=3 1033 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [0,0,0,0,0,0|1,0,0]=1 1034 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [0,0,0,0,0,0|2,0,1]=3 1035 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [0,0,0,0,0,0|2,0,1]=3 1036 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [0,0,0,0,0,0|1,0,2]=3 1037 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [0,0,0,0,0,0|1,0,2]=3 1038 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [0,0,0,0,0,0|1,0,2]=3 1039 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [0,0,0,0,0,0|3,0,0]=3 1040 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [0,0,0,0,0,0|3,0,0]=3 1041 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [0,0,0,0,0,0|3,0,0]=3 1042 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [0,0,0,0,0,0|3,0,1]=4 1043 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [0,0,0,0,0,0|3,0,1]=4 1044 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [0,0,0,0,0,0|3,0,1]=4 1045 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [0,0,0,0,0,0|3,0,1]=4 1046 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [0,0,0,0,0,0|3,0,1]=4 1047 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [0,0,0,0,0,0|3,0,1]=4 1048 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [0,0,0,0,0,0|3,0,1]=4 1049 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [0,0,0,0,0,0|2,0,1]=3 1050 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [0,0,0,0,0,0|1,0,0]=1 1051 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [0,0,0,0,0,0|2,0,1]=3 1052 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [0,0,0,0,0,0|2,0,1]=3 1053 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [0,0,0,0,0,0|2,0,1]=3 1054 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [0,0,0,0,0,0|2,0,1]=3 1055 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [0,0,0,0,0,0|2,0,1]=3 1056 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [0,0,0,0,0,0|2,0,1]=3 1057 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [0,0,0,0,0,0|2,0,1]=3 1058 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [0,0,0,0,0,0|2,0,1]=3 1059 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [0,0,0,0,0,0|2,0,1]=3 1060 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [0,0,0,0,0,0|2,0,1]=3 1061 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [0,0,0,0,0,0|2,0,1]=3 1062 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [0,0,0,0,0,0|1,0,2]=3 1063 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [0,0,0,0,0,0|1,0,2]=3 1064 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [0,0,0,0,0,0|3,0,0]=3 1065 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [0,0,0,0,0,0|3,0,0]=3 1066 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [0,0,0,0,0,0|3,0,0]=3 1067 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [0,0,0,0,0,0|3,0,0]=3 1068 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [0,0,0,0,0,0|3,0,0]=3 1069 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [0,0,0,0,0,0|3,0,0]=3 1070 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [0,0,0,0,0,0|3,0,1]=4 1071 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [0,0,0,0,0,0|3,0,1]=4 1072 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [0,0,0,0,0,0|3,0,1]=4 1073 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [0,0,0,0,0,0|3,0,1]=4 1074 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [0,0,0,0,0,0|3,0,1]=4 1075 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [0,0,0,0,0,0|3,0,1]=4 1076 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [0,0,0,0,0,0|3,0,1]=4 1077 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [0,0,0,0,0,0|3,0,1]=4 1078 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [0,0,0,0,0,0|3,0,1]=4 1079 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [0,0,0,0,0,0|3,0,1]=4 1080 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [0,0,0,0,0,0|3,0,1]=4 1081 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [0,0,0,0,0,0|3,0,1]=4 1082 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [0,0,0,0,0,0|2,0,1]=3 1083 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [0,0,0,0,0,0|2,0,1]=3 1084 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [0,0,0,0,0,0|1,0,0]=1 1085 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [0,0,0,0,0,0|1,0,0]=1 1086 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [0,0,0,0,0,0|2,0,1]=3 1087 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [0,0,0,0,0,0|2,0,1]=3 1088 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [0,0,0,0,0,0|2,0,1]=3 1089 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [0,0,0,0,0,0|1,0,2]=3 1090 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [0,0,0,0,0,0|1,0,2]=3 1091 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [0,0,0,0,0,0|3,0,0]=3 1092 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [0,0,0,0,0,0|3,0,0]=3 1093 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [0,0,0,0,0,0|3,0,1]=4 1094 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [0,0,0,0,0,0|3,0,1]=4 1095 B10R0.71 CCCCCSCCSC#N 62a_100000034367_100000210326 [0,0,0,0,0,0|3,0,1]=4 1096 B10R0.71 CCCCCSCCSC#N 62a_100000210326_100000034367 [0,0,0,0,0,0|3,0,1]=4 1097 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [0,0,0,0,0,0|3,0,1]=4 1098 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [0,0,0,0,0,0|3,0,1]=4 1099 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [0,0,0,0,0,0|2,0,1]=3 1100 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [0,0,0,0,0,0|2,0,1]=3 1101 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [0,0,0,0,0,0|1,0,0]=1 1102 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [0,0,0,0,0,0|1,0,0]=1 1103 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [0,0,0,0,0,0|2,0,1]=3 1104 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [0,0,0,0,0,0|2,0,1]=3 1105 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [0,0,0,0,0,0|1,0,2]=3 1106 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [0,0,0,0,0,0|1,0,2]=3 1107 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [0,0,0,0,0,0|1,0,2]=3 1108 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [0,0,0,0,0,0|1,0,2]=3 1109 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [0,0,0,0,0,0|3,0,0]=3 1110 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [0,0,0,0,0,0|3,0,0]=3 1111 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [0,0,0,0,0,0|3,0,0]=3 1112 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [0,0,0,0,0,0|3,0,0]=3 1113 B10R0.71 CCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210211 [0,0,0,0,0,0|4,0,0]=4 1114 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [0,0,0,0,0,0|3,0,1]=4 1115 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [0,0,0,0,0,0|3,0,1]=4 1116 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [0,0,0,0,0,0|3,0,1]=4 1117 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [0,0,0,0,0,0|3,0,1]=4 1118 B10R0.71 CCCCNCCOCC#N 2230a_100000102301_200000047693 [0,0,0,0,0,0|3,0,1]=4 1119 B10R0.71 CCCCNCCOCC#N 7a_106832991798_200000047693 [0,0,0,0,0,0|3,0,1]=4 1120 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [0,0,0,0,0,0|3,0,1]=4 1121 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [0,0,0,0,0,0|3,0,1]=4 1122 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [0,0,0,0,0,0|3,0,1]=4 1123 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [0,0,0,0,0,0|3,0,1]=4 1124 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [0,0,0,0,0,0|2,0,2]=4 1125 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [0,0,0,0,0,0|2,0,2]=4 1126 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [0,0,0,0,0,0|2,0,2]=4 1127 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [0,0,0,0,0,0|2,0,2]=4 1128 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [0,0,0,0,0,0|3,0,1]=4 1129 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [0,0,0,0,0,0|2,0,2]=4 1130 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [0,0,0,0,0,0|3,0,1]=4 1131 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [0,0,0,0,0,0|4,0,0]=4 1132 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [0,0,0,0,0,0|2,0,1]=3 1133 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [0,0,0,0,0,0|1,0,0]=1 1134 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [0,0,0,0,0,0|2,0,1]=3 1135 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [0,0,0,0,0,0|2,0,1]=3 1136 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [0,0,0,0,0,0|2,0,1]=3 1137 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [0,0,0,0,0,0|2,0,1]=3 1138 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [0,0,0,0,0,0|2,0,1]=3 1139 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [0,0,0,0,0,0|2,0,1]=3 1140 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [0,0,0,0,0,0|2,0,1]=3 1141 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [0,0,0,0,0,0|2,0,1]=3 1142 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [0,0,0,0,0,0|2,0,1]=3 1143 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [0,0,0,0,0,0|1,0,2]=3 1144 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [0,0,0,0,0,0|1,0,2]=3 1145 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [0,0,0,0,0,0|3,0,0]=3 1146 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [0,0,0,0,0,0|3,0,0]=3 1147 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [0,0,0,0,0,0|3,0,0]=3 1148 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [0,0,0,0,0,0|3,0,0]=3 1149 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [0,0,0,0,0,0|3,0,0]=3 1150 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [0,0,0,0,0,0|3,0,0]=3 1151 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [0,0,0,0,0,0|3,0,0]=3 1152 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [0,0,0,0,0,0|3,0,0]=3 1153 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [0,0,0,0,0,0|3,0,0]=3 1154 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [0,0,0,0,0,0|3,0,1]=4 1155 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [0,0,0,0,0,0|3,0,1]=4 1156 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [0,0,0,0,0,0|3,0,1]=4 1157 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [0,0,0,0,0,0|3,0,1]=4 1158 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [0,0,0,0,0,0|3,0,1]=4 1159 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [0,0,0,0,0,0|3,0,1]=4 1160 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [0,0,0,0,0,0|3,0,1]=4 1161 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [0,0,0,0,0,0|3,0,1]=4 1162 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [0,0,0,0,0,0|3,0,1]=4 1163 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [0,0,0,0,0,0|3,0,1]=4 1164 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [0,0,0,0,0,0|3,0,1]=4 1165 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [0,0,0,0,0,0|3,0,1]=4 1166 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [0,0,0,0,0,0|3,0,1]=4 1167 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [0,0,0,0,0,0|3,0,1]=4 1168 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [0,0,0,0,0,0|2,0,2]=4 1169 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [0,0,0,0,0,0|2,0,2]=4 1170 B10R0.71 CCCCOCCOCC#N 7a_100000210227_200000047693 [0,0,0,0,0,0|3,0,1]=4 1171 B10R0.71 CCCCOCCOCC#N 7a_100000210238_100011215382 [0,0,0,0,0,0|3,0,1]=4 1172 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [0,0,0,0,0,0|2,0,0]=2 1173 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [0,0,0,0,0,0|2,0,0]=2 1174 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [0,0,0,0,0,0|3,0,1]=4 1175 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [0,0,0,0,0,0|3,0,1]=4 1176 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [0,0,0,0,0,0|3,0,1]=4 1177 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [0,0,0,0,0,0|3,0,1]=4 1178 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [0,0,0,0,0,0|3,0,1]=4 1179 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [0,0,0,0,0,0|3,0,1]=4 1180 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [0,0,0,0,0,0|3,0,1]=4 1181 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [0,0,0,0,0,0|3,0,1]=4 1182 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [0,0,0,0,0,0|3,0,1]=4 1183 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [0,0,0,0,0,0|3,0,1]=4 1184 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [0,0,0,0,0,0|3,0,1]=4 1185 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [0,0,0,0,0,0|3,0,1]=4 1186 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [0,0,0,0,0,0|3,0,1]=4 1187 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [0,0,0,0,0,0|3,0,1]=4 1188 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [0,0,0,0,0,0|3,0,1]=4 1189 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [0,0,0,0,0,0|3,0,1]=4 1190 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [0,0,0,0,0,0|3,0,1]=4 1191 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [0,0,0,0,0,0|3,0,1]=4 1192 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [0,0,0,0,0,0|3,0,1]=4 1193 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [0,0,0,0,0,0|3,0,1]=4 1194 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [0,0,0,0,0,0|2,0,2]=4 1195 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [0,0,0,0,0,0|2,0,2]=4 1196 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [0,0,0,0,0,0|2,0,2]=4 1197 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [0,0,0,0,0,0|2,0,2]=4 1198 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [0,0,0,0,0,0|4,0,0]=4 1199 B10R0.71 CCCCOCCSCC#N 62a_100000743108_100011215382 [0,0,0,0,0,0|3,0,1]=4 1200 B10R0.71 CCCCOCCSCC#N 62a_100011215382_100000743108 [0,0,0,0,0,0|3,0,1]=4 1201 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [0,0,0,0,0,0|2,0,0]=2 1202 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [0,0,0,0,0,0|2,0,0]=2 1203 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [0,0,0,0,0,0|3,0,1]=4 1204 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [0,0,0,0,0,0|3,0,1]=4 1205 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [0,0,0,0,0,0|3,0,1]=4 1206 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [0,0,0,0,0,0|3,0,1]=4 1207 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [0,0,0,0,0,0|3,0,1]=4 1208 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [0,0,0,0,0,0|3,0,1]=4 1209 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [0,0,0,0,0,0|2,0,2]=4 1210 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [0,0,0,0,0,0|2,0,2]=4 1211 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [0,0,0,0,0,0|4,0,0]=4 1212 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [0,0,0,0,0,0|4,0,0]=4 1213 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [0,0,0,0,0,0|4,0,0]=4 1214 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [0,0,0,0,0,0|4,0,0]=4 1215 B10R0.71 CCCCOCNCCCF 2230a_100015189416_100011995733 [0,0,0,0,0,0|3,0,1]=4 1216 B10R0.71 CCCCOCNCCCF 34a_100015189416_100011995733 [0,0,0,0,0,0|3,0,1]=4 1217 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [0,0,0,0,0,0|4,0,0]=4 1218 B10R0.71 CCCCOCNCCSC 2230a_100020590264_100011995733 [0,0,0,0,0,0|4,0,0]=4 1219 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [0,0,0,0,0,0|3,0,1]=4 1220 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [0,0,0,0,0,0|3,0,1]=4 1221 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [0,0,0,0,0,0|3,0,1]=4 1222 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [0,0,0,0,0,0|3,0,1]=4 1223 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [0,0,0,0,0,0|3,0,1]=4 1224 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [0,0,0,0,0,0|4,0,0]=4 1225 B10R0.71 CCCCOCOCCON 34a_100000700252_100011995733 [0,0,0,0,0,0|4,0,0]=4 1226 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [0,0,0,0,0,0|4,0,0]=4 1227 B10R0.71 CCCCOCSCCC#N 62a_100011215226_100011995733 [0,0,0,0,0,0|3,0,1]=4 1228 B10R0.71 CCCCOCSCCC#N 62a_100011995733_100011215226 [0,0,0,0,0,0|3,0,1]=4 1229 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [0,0,0,0,0,0|3,0,1]=4 1230 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [0,0,0,0,0,0|3,0,1]=4 1231 B10R0.71 CCCCOCSCCCF 62a_100011934791_100011995733 [0,0,0,0,0,0|3,0,1]=4 1232 B10R0.71 CCCCOCSCCCF 62a_100011995733_100011934791 [0,0,0,0,0,0|3,0,1]=4 1233 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [0,0,0,0,0,0|2,0,2]=4 1234 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [0,0,0,0,0,0|2,0,2]=4 1235 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [0,0,0,0,0,0|4,0,0]=4 1236 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [0,0,0,0,0,0|4,0,0]=4 1237 B10R0.71 CCCCOCSCCSC 62a_100000212216_100011995733 [0,0,0,0,0,0|4,0,0]=4 1238 B10R0.71 CCCCOCSCCSC 62a_100011995733_100000751147 [0,0,0,0,0,0|4,0,0]=4 1239 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [0,0,0,0,0,0|2,0,1]=3 1240 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [0,0,0,0,0,0|2,0,1]=3 1241 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [0,0,0,0,0,0|1,0,0]=1 1242 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [0,0,0,0,0,0|1,0,0]=1 1243 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [0,0,0,0,0,0|2,0,1]=3 1244 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [0,0,0,0,0,0|2,0,1]=3 1245 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [0,0,0,0,0,0|1,0,2]=3 1246 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [0,0,0,0,0,0|1,0,2]=3 1247 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [0,0,0,0,0,0|3,0,0]=3 1248 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [0,0,0,0,0,0|3,0,0]=3 1249 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [0,0,0,0,0,0|3,0,1]=4 1250 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [0,0,0,0,0,0|3,0,1]=4 1251 B10R0.71 CCCCSCCNCC#N 2230a_100025743550_100011215382 [0,0,0,0,0,0|3,0,1]=4 1252 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [0,0,0,0,0,0|2,0,0]=2 1253 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [0,0,0,0,0,0|3,0,1]=4 1254 B10R0.71 CCCCSCCNCCF 2230a_100025743550_100011217306 [0,0,0,0,0,0|3,0,1]=4 1255 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [0,0,0,0,0,0|2,0,2]=4 1256 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [0,0,0,0,0,0|4,0,0]=4 1257 B10R0.71 CCCCSCCNCSC 2230a_100025743550_100011218213 [0,0,0,0,0,0|4,0,0]=4 1258 B10R0.71 CCCCSCCOCC#N 62a_100000210211_200000047693 [0,0,0,0,0,0|3,0,1]=4 1259 B10R0.71 CCCCSCCOCC#N 62a_200000047693_100000210210 [0,0,0,0,0,0|3,0,1]=4 1260 B10R0.71 CCCCSCCOCC#N 7a_200000230436_100011215382 [0,0,0,0,0,0|3,0,1]=4 1261 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [0,0,0,0,0,0|2,0,0]=2 1262 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [0,0,0,0,0,0|2,0,0]=2 1263 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [0,0,0,0,0,0|3,0,1]=4 1264 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [0,0,0,0,0,0|3,0,1]=4 1265 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [0,0,0,0,0,0|3,0,1]=4 1266 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [0,0,0,0,0,0|3,0,1]=4 1267 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [0,0,0,0,0,0|3,0,1]=4 1268 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [0,0,0,0,0,0|3,0,1]=4 1269 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [0,0,0,0,0,0|2,0,2]=4 1270 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [0,0,0,0,0,0|2,0,2]=4 1271 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [0,0,0,0,0,0|2,0,2]=4 1272 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [0,0,0,0,0,0|2,0,2]=4 1273 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [0,0,0,0,0,0|4,0,0]=4 1274 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [0,0,0,0,0,0|4,0,0]=4 1275 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [0,0,0,0,0,0|4,0,0]=4 1276 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [0,0,0,0,0,0|1,0,2]=3 1277 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [0,0,0,0,0,0|1,0,2]=3 1278 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [0,0,0,0,0,0|3,0,0]=3 1279 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [0,0,0,0,0,0|3,0,0]=3 1280 B10R0.71 CCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210303 [0,0,0,0,0,0|4,0,0]=4 1281 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [0,0,0,0,0,0|3,0,1]=4 1282 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [0,0,0,0,0,0|3,0,1]=4 1283 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [0,0,0,0,0,0|4,0,0]=4 1284 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [0,0,0,0,0,0|4,0,0]=4 1285 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [0,0,0,0,0,0|2,0,1]=3 1286 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [0,0,0,0,0,0|2,0,1]=3 1287 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [0,0,0,0,0,0|2,0,1]=3 1288 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [0,0,0,0,0,0|2,0,1]=3 1289 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [0,0,0,0,0,0|2,0,1]=3 1290 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [0,0,0,0,0,0|2,0,1]=3 1291 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [0,0,0,0,0,0|2,0,1]=3 1292 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [0,0,0,0,0,0|2,0,1]=3 1293 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [0,0,0,0,0,0|1,0,2]=3 1294 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [0,0,0,0,0,0|3,0,0]=3 1295 B10R0.71 CCCOCCCNCC#N 2230a_100011217757_100011215382 [0,0,0,0,0,0|3,0,1]=4 1296 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [0,0,0,0,0,0|2,0,0]=2 1297 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [0,0,0,0,0,0|2,0,0]=2 1298 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [0,0,0,0,0,0|3,0,1]=4 1299 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [0,0,0,0,0,0|3,0,1]=4 1300 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [0,0,0,0,0,0|2,0,2]=4 1301 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [0,0,0,0,0,0|2,0,2]=4 1302 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [0,0,0,0,0,0|4,0,0]=4 1303 B10R0.71 CCCOCCCNCSC 2230a_100011217757_100011218213 [0,0,0,0,0,0|4,0,0]=4 1304 B10R0.71 CCCOCCCNCSC 34a_100011217757_100011218213 [0,0,0,0,0,0|4,0,0]=4 1305 B10R0.71 CCCOCCNCCC#N 2230a_100161115042_100011215226 [0,0,0,0,0,0|3,0,1]=4 1306 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [0,0,0,0,0,0|3,0,1]=4 1307 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [0,0,0,0,0,0|3,0,1]=4 1308 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [0,0,0,0,0,0|3,0,1]=4 1309 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [0,0,0,0,0,0|3,0,1]=4 1310 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [0,0,0,0,0,0|2,0,2]=4 1311 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [0,0,0,0,0,0|2,0,2]=4 1312 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [0,0,0,0,0,0|4,0,0]=4 1313 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [0,0,0,0,0,0|4,0,0]=4 1314 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [0,0,0,0,0,0|4,0,0]=4 1315 B10R0.71 CCCOCCNCCSC 2230a_100020590264_100011215938 [0,0,0,0,0,0|4,0,0]=4 1316 B10R0.71 CCCOCCNCCSC 2230a_100161115042_100000751147 [0,0,0,0,0,0|4,0,0]=4 1317 B10R0.71 CCCOCCNCCSC 34a_100161115042_100000212216 [0,0,0,0,0,0|4,0,0]=4 1318 B10R0.71 CCCOCCOCCC#N 7a_100000752267_100000184422 [0,0,0,0,0,0|3,0,1]=4 1319 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [0,0,0,0,0,0|3,0,1]=4 1320 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [0,0,0,0,0,0|3,0,1]=4 1321 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [0,0,0,0,0,0|3,0,1]=4 1322 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [0,0,0,0,0,0|3,0,1]=4 1323 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [0,0,0,0,0,0|3,0,1]=4 1324 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [0,0,0,0,0,0|3,0,1]=4 1325 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [0,0,0,0,0,0|2,0,2]=4 1326 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [0,0,0,0,0,0|2,0,2]=4 1327 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [0,0,0,0,0,0|4,0,0]=4 1328 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [0,0,0,0,0,0|4,0,0]=4 1329 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [0,0,0,0,0,0|4,0,0]=4 1330 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [0,0,0,0,0,0|4,0,0]=4 1331 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [0,0,0,0,0,0|4,0,0]=4 1332 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [0,0,0,0,0,0|4,0,0]=4 1333 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [0,0,0,0,0,0|4,0,0]=4 1334 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [0,0,0,0,0,0|4,0,0]=4 1335 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [0,0,0,0,0,0|4,0,0]=4 1336 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [0,0,0,0,0,0|4,0,0]=4 1337 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [0,0,0,0,0,0|4,0,0]=4 1338 B10R0.71 CCCOCCOCCON 34a_100000700252_100011215938 [0,0,0,0,0,0|4,0,0]=4 1339 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [0,0,0,0,0,0|4,0,0]=4 1340 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [0,0,0,0,0,0|4,0,0]=4 1341 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [0,0,0,0,0,0|4,0,0]=4 1342 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [0,0,0,0,0,0|4,0,0]=4 1343 B10R0.71 CCCOCCSCCC#N 62a_100011215226_100011215938 [0,0,0,0,0,0|3,0,1]=4 1344 B10R0.71 CCCOCCSCCC#N 62a_100011215938_100011215226 [0,0,0,0,0,0|3,0,1]=4 1345 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [0,0,0,0,0,0|3,0,1]=4 1346 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [0,0,0,0,0,0|3,0,1]=4 1347 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [0,0,0,0,0,0|2,0,2]=4 1348 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [0,0,0,0,0,0|2,0,2]=4 1349 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [0,0,0,0,0,0|4,0,0]=4 1350 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [0,0,0,0,0,0|4,0,0]=4 1351 B10R0.71 CCCOCCSCCSC 62a_100000212216_100011215938 [0,0,0,0,0,0|4,0,0]=4 1352 B10R0.71 CCCOCCSCCSC 62a_100011215938_100000751147 [0,0,0,0,0,0|4,0,0]=4 1353 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [0,0,0,0,0,0|2,0,1]=3 1354 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [0,0,0,0,0,0|2,0,1]=3 1355 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [0,0,0,0,0,0|1,0,0]=1 1356 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [0,0,0,0,0,0|1,0,0]=1 1357 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [0,0,0,0,0,0|2,0,1]=3 1358 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [0,0,0,0,0,0|2,0,1]=3 1359 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [0,0,0,0,0,0|1,0,2]=3 1360 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [0,0,0,0,0,0|1,0,2]=3 1361 B10R0.71 CCCSCCNCCC#N 2230a_100020603323_100011215226 [0,0,0,0,0,0|3,0,1]=4 1362 B10R0.71 CCCSCCNCCCF 2230a_100020603323_100011934791 [0,0,0,0,0,0|3,0,1]=4 1363 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [0,0,0,0,0,0|2,0,2]=4 1364 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [0,0,0,0,0,0|4,0,0]=4 1365 B10R0.71 CCCSCCNCCSC 2230a_100020603323_100000751147 [0,0,0,0,0,0|4,0,0]=4 1366 B10R0.71 CCCSCCOCCC#N 7a_200000230433_100000184422 [0,0,0,0,0,0|3,0,1]=4 1367 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [0,0,0,0,0,0|3,0,1]=4 1368 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [0,0,0,0,0,0|3,0,1]=4 1369 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [0,0,0,0,0,0|2,0,2]=4 1370 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [0,0,0,0,0,0|2,0,2]=4 1371 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [0,0,0,0,0,0|4,0,0]=4 1372 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [0,0,0,0,0,0|4,0,0]=4 1373 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [0,0,0,0,0,0|4,0,0]=4 1374 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [0,0,0,0,0,0|4,0,0]=4 1375 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [0,0,0,0,0,0|4,0,0]=4 1376 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [0,0,0,0,0,0|4,0,0]=4 1377 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [0,0,0,0,0,0|2,0,1]=3 1378 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [0,0,0,0,0,0|1,0,2]=3 1379 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [0,0,0,0,0,0|1,0,2]=3 1380 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [0,0,0,0,0,0|1,0,2]=3 1381 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [0,0,0,0,0,0|3,0,0]=3 1382 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [0,0,0,0,0,0|2,0,2]=4 1383 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [0,0,0,0,0,0|2,0,2]=4 1384 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [0,0,0,0,0,0|4,0,0]=4 1385 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [0,0,0,0,0,0|4,0,0]=4 1386 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [0,0,0,0,0,0|4,0,0]=4 1387 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [0,0,0,0,0,0|2,0,1]=3 1388 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [0,0,0,0,0,0|2,0,1]=3 1389 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [0,0,0,0,0,0|2,0,1]=3 1390 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [0,0,0,0,0,0|1,0,2]=3 1391 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [0,0,0,0,0,0|3,0,0]=3 1392 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [0,0,0,0,0,0|3,0,0]=3 1393 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [0,0,0,0,0,0|3,0,0]=3 1394 B10R0.71 CCOCCCNCCC#N 2230a_100000210961_100011215226 [0,0,0,0,0,0|3,0,1]=4 1395 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [0,0,0,0,0,0|3,0,1]=4 1396 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [0,0,0,0,0,0|3,0,1]=4 1397 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [0,0,0,0,0,0|3,0,1]=4 1398 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [0,0,0,0,0,0|3,0,1]=4 1399 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [0,0,0,0,0,0|2,0,2]=4 1400 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [0,0,0,0,0,0|2,0,2]=4 1401 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [0,0,0,0,0,0|4,0,0]=4 1402 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [0,0,0,0,0,0|4,0,0]=4 1403 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [0,0,0,0,0,0|4,0,0]=4 1404 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [0,0,0,0,0,0|4,0,0]=4 1405 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [0,0,0,0,0,0|4,0,0]=4 1406 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [0,0,0,0,0,0|4,0,0]=4 1407 B10R0.71 CCOCCCOCCC#N 7a_100000757476_100000184422 [0,0,0,0,0,0|3,0,1]=4 1408 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [0,0,0,0,0,0|3,0,1]=4 1409 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [0,0,0,0,0,0|3,0,1]=4 1410 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [0,0,0,0,0,0|3,0,1]=4 1411 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [0,0,0,0,0,0|3,0,1]=4 1412 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [0,0,0,0,0,0|3,0,1]=4 1413 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [0,0,0,0,0,0|3,0,1]=4 1414 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [0,0,0,0,0,0|3,0,1]=4 1415 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [0,0,0,0,0,0|2,0,2]=4 1416 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [0,0,0,0,0,0|2,0,2]=4 1417 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [0,0,0,0,0,0|4,0,0]=4 1418 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [0,0,0,0,0,0|4,0,0]=4 1419 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [0,0,0,0,0,0|4,0,0]=4 1420 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [0,0,0,0,0,0|4,0,0]=4 1421 B10R0.71 CCOCCCOCCON 34a_100000700252_100012232248 [0,0,0,0,0,0|4,0,0]=4 1422 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [0,0,0,0,0,0|4,0,0]=4 1423 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [0,0,0,0,0,0|4,0,0]=4 1424 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [0,0,0,0,0,0|4,0,0]=4 1425 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [0,0,0,0,0,0|4,0,0]=4 1426 B10R0.71 CCOCCCSCCC#N 62a_100011215226_100012232248 [0,0,0,0,0,0|3,0,1]=4 1427 B10R0.71 CCOCCCSCCC#N 62a_100012232248_100011215226 [0,0,0,0,0,0|3,0,1]=4 1428 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [0,0,0,0,0,0|3,0,1]=4 1429 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [0,0,0,0,0,0|3,0,1]=4 1430 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [0,0,0,0,0,0|2,0,2]=4 1431 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [0,0,0,0,0,0|2,0,2]=4 1432 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [0,0,0,0,0,0|4,0,0]=4 1433 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [0,0,0,0,0,0|4,0,0]=4 1434 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [0,0,0,0,0,0|4,0,0]=4 1435 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [0,0,0,0,0,0|4,0,0]=4 1436 B10R0.71 CCOCCNCCCC#N 2230a_102516460346_100000687738 [0,0,0,0,0,0|3,0,1]=4 1437 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [0,0,0,0,0,0|2,0,0]=2 1438 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [0,0,0,0,0,0|3,0,1]=4 1439 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [0,0,0,0,0,0|3,0,1]=4 1440 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [0,0,0,0,0,0|2,0,2]=4 1441 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [0,0,0,0,0,0|2,0,2]=4 1442 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [0,0,0,0,0,0|2,0,2]=4 1443 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [0,0,0,0,0,0|2,0,2]=4 1444 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [0,0,0,0,0,0|4,0,0]=4 1445 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [0,0,0,0,0,0|4,0,0]=4 1446 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [0,0,0,0,0,0|4,0,0]=4 1447 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [0,0,0,0,0,0|4,0,0]=4 1448 B10R0.71 CCOCCOCCCC#N 7a_100000210136_100000687738 [0,0,0,0,0,0|3,0,1]=4 1449 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [0,0,0,0,0,0|2,0,0]=2 1450 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [0,0,0,0,0,0|3,0,1]=4 1451 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [0,0,0,0,0,0|3,0,1]=4 1452 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [0,0,0,0,0,0|3,0,1]=4 1453 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [0,0,0,0,0,0|3,0,1]=4 1454 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [0,0,0,0,0,0|3,0,1]=4 1455 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [0,0,0,0,0,0|3,0,1]=4 1456 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [0,0,0,0,0,0|3,0,1]=4 1457 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [0,0,0,0,0,0|3,0,1]=4 1458 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [0,0,0,0,0,0|3,0,1]=4 1459 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [0,0,0,0,0,0|2,0,2]=4 1460 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [0,0,0,0,0,0|2,0,2]=4 1461 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [0,0,0,0,0,0|4,0,0]=4 1462 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [0,0,0,0,0,0|4,0,0]=4 1463 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [0,0,0,0,0,0|4,0,0]=4 1464 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [0,0,0,0,0,0|4,0,0]=4 1465 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [0,0,0,0,0,0|4,0,0]=4 1466 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [0,0,0,0,0,0|4,0,0]=4 1467 B10R0.71 CCOCCSCCCC#N 62a_100000210147_100000687738 [0,0,0,0,0,0|3,0,1]=4 1468 B10R0.71 CCOCCSCCCC#N 62a_100000687738_100011215890 [0,0,0,0,0,0|3,0,1]=4 1469 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [0,0,0,0,0,0|2,0,0]=2 1470 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [0,0,0,0,0,0|2,0,0]=2 1471 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [0,0,0,0,0,0|3,0,1]=4 1472 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [0,0,0,0,0,0|3,0,1]=4 1473 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [0,0,0,0,0,0|2,0,2]=4 1474 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [0,0,0,0,0,0|2,0,2]=4 1475 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [0,0,0,0,0,0|4,0,0]=4 1476 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [0,0,0,0,0,0|4,0,0]=4 1477 B10R0.71 CCOCSCCCCC#N 62a_100000739092_100000211819 [0,0,0,0,0,0|3,0,1]=4 1478 B10R0.71 CCOCSCCCCC#N 62a_100011219923_100000739092 [0,0,0,0,0,0|3,0,1]=4 1479 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [0,0,0,0,0,0|2,0,0]=2 1480 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [0,0,0,0,0,0|2,0,0]=2 1481 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [0,0,0,0,0,0|3,0,1]=4 1482 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [0,0,0,0,0,0|3,0,1]=4 1483 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [0,0,0,0,0,0|2,0,2]=4 1484 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [0,0,0,0,0,0|2,0,2]=4 1485 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [0,0,0,0,0,0|4,0,0]=4 1486 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [0,0,0,0,0,0|4,0,0]=4 1487 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [0,0,0,0,0,0|2,0,1]=3 1488 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [0,0,0,0,0,0|2,0,1]=3 1489 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [0,0,0,0,0,0|1,0,2]=3 1490 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [0,0,0,0,0,0|1,0,2]=3 1491 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [0,0,0,0,0,0|3,0,0]=3 1492 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [0,0,0,0,0,0|3,0,0]=3 1493 B10R0.71 CCSCCCOCCC#N 7a_100011216438_100000184422 [0,0,0,0,0,0|3,0,1]=4 1494 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [0,0,0,0,0,0|3,0,1]=4 1495 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [0,0,0,0,0,0|3,0,1]=4 1496 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [0,0,0,0,0,0|2,0,2]=4 1497 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [0,0,0,0,0,0|2,0,2]=4 1498 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [0,0,0,0,0,0|4,0,0]=4 1499 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [0,0,0,0,0,0|4,0,0]=4 1500 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [0,0,0,0,0,0|4,0,0]=4 1501 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [0,0,0,0,0,0|4,0,0]=4 1502 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [0,0,0,0,0,0|4,0,0]=4 1503 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [0,0,0,0,0,0|4,0,0]=4 1504 B10R0.71 CCSCCNCCCC#N 2230a_100000106463_100000687738 [0,0,0,0,0,0|3,0,1]=4 1505 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [0,0,0,0,0,0|2,0,0]=2 1506 B10R0.71 CCSCCNCCCCF 2230a_100000106463_100000729493 [0,0,0,0,0,0|3,0,1]=4 1507 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [0,0,0,0,0,0|2,0,2]=4 1508 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [0,0,0,0,0,0|2,0,2]=4 1509 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [0,0,0,0,0,0|2,0,2]=4 1510 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [0,0,0,0,0,0|4,0,0]=4 1511 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [0,0,0,0,0,0|4,0,0]=4 1512 B10R0.71 CCSCCNCCCSC 2230a_100000749238_100000757381 [0,0,0,0,0,0|4,0,0]=4 1513 B10R0.71 CCSCCOCCCC#N 7a_100000212035_100000687738 [0,0,0,0,0,0|3,0,1]=4 1514 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [0,0,0,0,0,0|2,0,0]=2 1515 B10R0.71 CCSCCOCCCCBr 34a_100011216708_100000757381 [0,0,0,0,0,0|3,0,1]=4 1516 B10R0.71 CCSCCOCCCCCl 34a_100000210776_100000757381 [0,0,0,0,0,0|3,0,1]=4 1517 B10R0.71 CCSCCOCCCCCl 7a_100000210776_100000757381 [0,0,0,0,0,0|3,0,1]=4 1518 B10R0.71 CCSCCOCCCCF 34a_100000212035_100000729493 [0,0,0,0,0,0|3,0,1]=4 1519 B10R0.71 CCSCCOCCCCF 34a_100011995726_100000757381 [0,0,0,0,0,0|3,0,1]=4 1520 B10R0.71 CCSCCOCCCCF 7a_100000212035_100000729493 [0,0,0,0,0,0|3,0,1]=4 1521 B10R0.71 CCSCCOCCCCF 7a_100011995726_100000757381 [0,0,0,0,0,0|3,0,1]=4 1522 B10R0.71 CCSCCOCCCCI 34a_200012148704_100000757381 [0,0,0,0,0,0|3,0,1]=4 1523 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [0,0,0,0,0,0|3,0,1]=4 1524 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [0,0,0,0,0,0|2,0,2]=4 1525 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [0,0,0,0,0,0|2,0,2]=4 1526 B10R0.71 CCSCCOCCCNC 34a_100000213112_100000757381 [0,0,0,0,0,0|4,0,0]=4 1527 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [0,0,0,0,0,0|4,0,0]=4 1528 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [0,0,0,0,0,0|4,0,0]=4 1529 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [0,0,0,0,0,0|4,0,0]=4 1530 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [0,0,0,0,0,0|4,0,0]=4 1531 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [0,0,0,0,0,0|4,0,0]=4 1532 B10R0.71 CCSCCSCCCC#N 62a_100000687738_100000757381 [0,0,0,0,0,0|3,0,1]=4 1533 B10R0.71 CCSCCSCCCC#N 62a_100000757381_100000687738 [0,0,0,0,0,0|3,0,1]=4 1534 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [0,0,0,0,0,0|2,0,0]=2 1535 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [0,0,0,0,0,0|2,0,0]=2 1536 B10R0.71 CCSCCSCCCCF 62a_100000729493_100000757381 [0,0,0,0,0,0|3,0,1]=4 1537 B10R0.71 CCSCCSCCCCF 62a_100000757381_100000729493 [0,0,0,0,0,0|3,0,1]=4 1538 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [0,0,0,0,0,0|2,0,2]=4 1539 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [0,0,0,0,0,0|2,0,2]=4 1540 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [0,0,0,0,0,0|4,0,0]=4 1541 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [0,0,0,0,0,0|4,0,0]=4 1542 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [0,0,0,0,0,0|1,0,2]=3 1543 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [0,0,0,0,0,0|1,0,2]=3 1544 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [0,0,0,0,0,0|1,0,2]=3 1545 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [0,0,0,0,0,0|1,0,2]=3 1546 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [0,0,0,0,0,0|1,0,2]=3 1547 B10R0.71 CNCCCCCCN=[N+]=[N-] 2230a_200000049180_200000210301 [0,0,0,0,0,0|4,0,0]=4 1548 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [0,0,0,0,0,0|2,0,0]=2 1549 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [0,0,0,0,0,0|3,0,1]=4 1550 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [0,0,0,0,0,0|2,0,2]=4 1551 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [0,0,0,0,0,0|4,0,0]=4 1552 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [0,0,0,0,0,0|3,0,1]=4 1553 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [0,0,0,0,0,0|2,0,2]=4 1554 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [0,0,0,0,0,0|4,0,0]=4 1555 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [0,0,0,0,0,0|3,0,0]=3 1556 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [0,0,0,0,0,0|2,0,1]=3 1557 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [0,0,0,0,0,0|2,0,1]=3 1558 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [0,0,0,0,0,0|2,0,1]=3 1559 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [0,0,0,0,0,0|2,0,1]=3 1560 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [0,0,0,0,0,0|2,0,1]=3 1561 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [0,0,0,0,0,0|1,0,2]=3 1562 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [0,0,0,0,0,0|3,0,1]=4 1563 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [0,0,0,0,0,0|3,0,1]=4 1564 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [0,0,0,0,0,0|3,0,1]=4 1565 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [0,0,0,0,0,0|3,0,1]=4 1566 B10R0.71 COCCCCCNCC#N 2230a_100000747528_100011215382 [0,0,0,0,0,0|3,0,1]=4 1567 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [0,0,0,0,0,0|2,0,0]=2 1568 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [0,0,0,0,0,0|2,0,0]=2 1569 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [0,0,0,0,0,0|3,0,1]=4 1570 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [0,0,0,0,0,0|3,0,1]=4 1571 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [0,0,0,0,0,0|3,0,1]=4 1572 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [0,0,0,0,0,0|2,0,2]=4 1573 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [0,0,0,0,0,0|2,0,2]=4 1574 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [0,0,0,0,0,0|4,0,0]=4 1575 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [0,0,0,0,0,0|4,0,0]=4 1576 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [0,0,0,0,0,0|4,0,0]=4 1577 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [0,0,0,0,0,0|3,0,1]=4 1578 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [0,0,0,0,0,0|3,0,1]=4 1579 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [0,0,0,0,0,0|4,0,0]=4 1580 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [0,0,0,0,0,0|4,0,0]=4 1581 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [0,0,0,0,0,0|3,0,1]=4 1582 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [0,0,0,0,0,0|3,0,1]=4 1583 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [0,0,0,0,0,0|3,0,1]=4 1584 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [0,0,0,0,0,0|3,0,1]=4 1585 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [0,0,0,0,0,0|3,0,1]=4 1586 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [0,0,0,0,0,0|2,0,2]=4 1587 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [0,0,0,0,0,0|4,0,0]=4 1588 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [0,0,0,0,0,0|4,0,0]=4 1589 B10R0.71 COCCCCOCCON 34a_100000700252_100000755781 [0,0,0,0,0,0|4,0,0]=4 1590 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [0,0,0,0,0,0|4,0,0]=4 1591 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [0,0,0,0,0,0|4,0,0]=4 1592 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [0,0,0,0,0,0|4,0,0]=4 1593 B10R0.71 COCCCCSCCC#N 62a_100000730899_100011215226 [0,0,0,0,0,0|3,0,1]=4 1594 B10R0.71 COCCCCSCCC#N 62a_100011215226_100000730899 [0,0,0,0,0,0|3,0,1]=4 1595 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [0,0,0,0,0,0|3,0,1]=4 1596 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [0,0,0,0,0,0|3,0,1]=4 1597 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [0,0,0,0,0,0|2,0,2]=4 1598 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [0,0,0,0,0,0|2,0,2]=4 1599 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [0,0,0,0,0,0|4,0,0]=4 1600 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [0,0,0,0,0,0|4,0,0]=4 1601 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [0,0,0,0,0,0|4,0,0]=4 1602 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [0,0,0,0,0,0|4,0,0]=4 1603 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [0,0,0,0,0,0|3,0,1]=4 1604 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [0,0,0,0,0,0|2,0,2]=4 1605 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [0,0,0,0,0,0|2,0,2]=4 1606 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [0,0,0,0,0,0|2,0,2]=4 1607 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [0,0,0,0,0,0|4,0,0]=4 1608 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [0,0,0,0,0,0|4,0,0]=4 1609 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [0,0,0,0,0,0|3,0,1]=4 1610 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [0,0,0,0,0,0|3,0,1]=4 1611 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [0,0,0,0,0,0|3,0,1]=4 1612 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [0,0,0,0,0,0|3,0,1]=4 1613 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [0,0,0,0,0,0|3,0,1]=4 1614 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [0,0,0,0,0,0|3,0,1]=4 1615 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [0,0,0,0,0,0|3,0,1]=4 1616 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [0,0,0,0,0,0|3,0,1]=4 1617 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [0,0,0,0,0,0|2,0,2]=4 1618 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [0,0,0,0,0,0|4,0,0]=4 1619 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [0,0,0,0,0,0|4,0,0]=4 1620 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [0,0,0,0,0,0|4,0,0]=4 1621 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [0,0,0,0,0,0|4,0,0]=4 1622 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [0,0,0,0,0,0|4,0,0]=4 1623 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [0,0,0,0,0,0|4,0,0]=4 1624 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [0,0,0,0,0,0|4,0,0]=4 1625 B10R0.71 COCCCSCCCC#N 62a_100000687738_100000709357 [0,0,0,0,0,0|3,0,1]=4 1626 B10R0.71 COCCCSCCCC#N 62a_100000709357_100000687738 [0,0,0,0,0,0|3,0,1]=4 1627 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [0,0,0,0,0,0|2,0,0]=2 1628 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [0,0,0,0,0,0|2,0,0]=2 1629 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [0,0,0,0,0,0|3,0,1]=4 1630 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [0,0,0,0,0,0|3,0,1]=4 1631 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [0,0,0,0,0,0|2,0,2]=4 1632 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [0,0,0,0,0,0|2,0,2]=4 1633 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [0,0,0,0,0,0|4,0,0]=4 1634 B10R0.71 COCCNCCCCC#N 2230a_100000209980_100000211819 [0,0,0,0,0,0|3,0,1]=4 1635 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [0,0,0,0,0,0|2,0,0]=2 1636 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [0,0,0,0,0,0|3,0,1]=4 1637 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [0,0,0,0,0,0|2,0,2]=4 1638 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [0,0,0,0,0,0|2,0,2]=4 1639 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [0,0,0,0,0,0|2,0,2]=4 1640 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [0,0,0,0,0,0|3,0,1]=4 1641 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [0,0,0,0,0,0|3,0,1]=4 1642 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [0,0,0,0,0,0|3,0,1]=4 1643 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [0,0,0,0,0,0|3,0,1]=4 1644 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [0,0,0,0,0,0|3,0,1]=4 1645 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [0,0,0,0,0,0|3,0,1]=4 1646 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [0,0,0,0,0,0|3,0,1]=4 1647 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [0,0,0,0,0,0|3,0,1]=4 1648 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [0,0,0,0,0,0|2,0,2]=4 1649 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [0,0,0,0,0,0|4,0,0]=4 1650 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [0,0,0,0,0,0|4,0,0]=4 1651 B10R0.71 COCCOCCNCC=O 2230a_100000745349_200015260668 [0,0,0,0,0,0|3,0,0]=3 1652 B10R0.71 COCCOCCNCC=O 34a_100000745349_200009817547 [0,0,0,0,0,0|3,0,0]=3 1653 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [0,0,0,0,0,0|3,0,0]=3 1654 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [0,0,0,0,0,0|3,0,0]=3 1655 B10R0.71 COCCOCCSCC=O 62a_100000695917_200015260668 [0,0,0,0,0,0|3,0,0]=3 1656 B10R0.71 COCCOCCSCC=O 62a_200015260668_100000695917 [0,0,0,0,0,0|3,0,0]=3 1657 B10R0.71 COCCSCCCCC#N 62a_100000233755_100000211819 [0,0,0,0,0,0|3,0,1]=4 1658 B10R0.71 COCCSCCCCC#N 62a_100011219923_100000233755 [0,0,0,0,0,0|3,0,1]=4 1659 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [0,0,0,0,0,0|2,0,0]=2 1660 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [0,0,0,0,0,0|2,0,0]=2 1661 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [0,0,0,0,0,0|3,0,1]=4 1662 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [0,0,0,0,0,0|3,0,1]=4 1663 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [0,0,0,0,0,0|2,0,2]=4 1664 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [0,0,0,0,0,0|2,0,2]=4 1665 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [0,0,0,0,0,0|2,0,2]=4 1666 B10R0.71 COCSCCCCCC#N 62a_100000766300_100009813376 [0,0,0,0,0,0|3,0,1]=4 1667 B10R0.71 COCSCCCCCC#N 62a_100009813376_100000766300 [0,0,0,0,0,0|3,0,1]=4 1668 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [0,0,0,0,0,0|2,0,0]=2 1669 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [0,0,0,0,0,0|2,0,0]=2 1670 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [0,0,0,0,0,0|3,0,1]=4 1671 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [0,0,0,0,0,0|3,0,1]=4 1672 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [0,0,0,0,0,0|2,0,2]=4 1673 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [0,0,0,0,0,0|2,0,2]=4 1674 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [0,0,0,0,0,0|1,0,2]=3 1675 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [0,0,0,0,0,0|1,0,2]=3 1676 B10R0.71 CSCCCCOCCC#N 7a_100011217163_100000184422 [0,0,0,0,0,0|3,0,1]=4 1677 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [0,0,0,0,0,0|3,0,1]=4 1678 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [0,0,0,0,0,0|3,0,1]=4 1679 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [0,0,0,0,0,0|2,0,2]=4 1680 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [0,0,0,0,0,0|2,0,2]=4 1681 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [0,0,0,0,0,0|4,0,0]=4 1682 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [0,0,0,0,0,0|4,0,0]=4 1683 B10R0.71 CSCCCNCCCC#N 2230a_100000749238_100000687738 [0,0,0,0,0,0|3,0,1]=4 1684 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [0,0,0,0,0,0|2,0,0]=2 1685 B10R0.71 CSCCCNCCCCF 2230a_100000749238_100000729493 [0,0,0,0,0,0|3,0,1]=4 1686 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [0,0,0,0,0,0|2,0,2]=4 1687 B10R0.71 CSCCCOCCCC#N 7a_100000690336_100000687738 [0,0,0,0,0,0|3,0,1]=4 1688 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [0,0,0,0,0,0|2,0,0]=2 1689 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [0,0,0,0,0,0|3,0,1]=4 1690 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [0,0,0,0,0,0|3,0,1]=4 1691 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [0,0,0,0,0,0|2,0,2]=4 1692 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [0,0,0,0,0,0|2,0,2]=4 1693 B10R0.71 CSCCNCCCCC#N 2230a_100020590264_100000211819 [0,0,0,0,0,0|3,0,1]=4 1694 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [0,0,0,0,0,0|2,0,0]=2 1695 B10R0.71 CSCCNCCCCCF 2230a_100020590264_100000729378 [0,0,0,0,0,0|3,0,1]=4 1696 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [0,0,0,0,0,0|2,0,2]=4 1697 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [0,0,0,0,0,0|2,0,2]=4 1698 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [0,0,0,0,0,0|2,0,2]=4 1699 B10R0.71 CSCCOCCCCC#N 7a_100000230434_100000211819 [0,0,0,0,0,0|3,0,1]=4 1700 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [0,0,0,0,0,0|2,0,0]=2 1701 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [0,0,0,0,0,0|3,0,1]=4 1702 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [0,0,0,0,0,0|3,0,1]=4 1703 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [0,0,0,0,0,0|3,0,1]=4 1704 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [0,0,0,0,0,0|3,0,1]=4 1705 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [0,0,0,0,0,0|3,0,1]=4 1706 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [0,0,0,0,0,0|3,0,1]=4 1707 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [0,0,0,0,0,0|3,0,1]=4 1708 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [0,0,0,0,0,0|3,0,1]=4 1709 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [0,0,0,0,0,0|3,0,1]=4 1710 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [0,0,0,0,0,0|2,0,2]=4 1711 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [0,0,0,0,0,0|2,0,2]=4 1712 B10R0.71 CSCCSCCCCC#N 62a_100000212216_100000211819 [0,0,0,0,0,0|3,0,1]=4 1713 B10R0.71 CSCCSCCCCC#N 62a_100011219923_100000751147 [0,0,0,0,0,0|3,0,1]=4 1714 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [0,0,0,0,0,0|2,0,0]=2 1715 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [0,0,0,0,0,0|2,0,0]=2 1716 B10R0.71 CSCCSCCCCCF 62a_100000212216_100000729378 [0,0,0,0,0,0|3,0,1]=4 1717 B10R0.71 CSCCSCCCCCF 62a_100000729378_100000751147 [0,0,0,0,0,0|3,0,1]=4 1718 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [0,0,0,0,0,0|2,0,2]=4 1719 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [0,0,0,0,0,0|2,0,2]=4 1720 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [0,0,0,0,0,0|2,0,2]=4 1721 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [0,0,0,0,0,0|2,0,2]=4 1722 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [0,0,0,0,0,0|3,0,1]=4 1723 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [0,0,0,0,0,0|3,0,1]=4 1724 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [0,0,0,0,0,0|3,0,1]=4 1725 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [0,0,0,0,0,0|3,0,1]=4 1726 B10R0.71 CSCSCCCCCC#N 62a_100009813376_100011218213 [0,0,0,0,0,0|3,0,1]=4 1727 B10R0.71 CSCSCCCCCC#N 62a_100011218213_100009813376 [0,0,0,0,0,0|3,0,1]=4 1728 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [0,0,0,0,0,0|2,0,0]=2 1729 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [0,0,0,0,0,0|2,0,0]=2 1730 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [0,0,0,0,0,0|3,0,1]=4 1731 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [0,0,0,0,0,0|3,0,1]=4 1732 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [0,0,0,0,0,0|2,0,2]=4 1733 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [0,0,0,0,0,0|2,0,2]=4 1734 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [0,0,0,0,0,0|3,0,1]=4 1735 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [0,0,0,0,0,0|3,0,1]=4 1736 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [0,0,0,0,0,0|3,0,1]=4 1737 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [0,0,0,0,0,0|3,0,1]=4 1738 B10R0.71 FCCCCCCSCCF 62a_100011217306_100015922095 [0,0,0,0,0,0|3,0,1]=4 1739 B10R0.71 FCCCCCCSCCF 62a_100015922095_100011217306 [0,0,0,0,0,0|3,0,1]=4 1740 B10R0.71 FCCCCCNCCCF 2230a_100015189416_100000729378 [0,0,0,0,0,0|3,0,1]=4 1741 B10R0.71 FCCCCCNCCCF 34a_100015189416_100000729378 [0,0,0,0,0,0|3,0,1]=4 1742 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [0,0,0,0,0,0|3,0,1]=4 1743 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [0,0,0,0,0,0|3,0,1]=4 1744 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [0,0,0,0,0,0|3,0,1]=4 1745 B10R0.71 FCCCCCSCCCF 62a_100000729378_100011934791 [0,0,0,0,0,0|3,0,1]=4 1746 B10R0.71 FCCCCCSCCCF 62a_100011934791_100000729378 [0,0,0,0,0,0|3,0,1]=4 1747 B10R0.71 FCCCCOCCCCBr 34a_100011216708_100000729493 [0,0,0,0,0,0|3,0,1]=4 1748 B10R0.71 FCCCCOCCCCCl 34a_100000210776_100000729493 [0,0,0,0,0,0|3,0,1]=4 1749 B10R0.71 FCCCCOCCCCCl 7a_100000210776_100000729493 [0,0,0,0,0,0|3,0,1]=4 1750 B10R0.71 FCCCCOCCCCF 34a_100011995726_100000729493 [0,0,0,0,0,0|3,0,1]=4 1751 B10R0.71 FCCCCOCCCCF 7a_100011995726_100000729493 [0,0,0,0,0,0|3,0,1]=4 1752 B10R0.71 FCCCCOCCCCI 34a_200012148704_100000729493 [0,0,0,0,0,0|3,0,1]=4 1753 B10R0.71 FCCCCSCCCCF 62a_100000729493_100000729493 [0,0,0,0,0,0|3,0,1]=4 1754 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [0,0,0,0,0,0|3,0,1]=4 1755 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [0,0,0,0,0,0|3,0,1]=4 1756 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [0,0,0,0,0,0|3,0,1]=4 1757 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [0,0,0,0,0,0|3,0,1]=4 1758 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [0,0,0,0,0,0|3,0,1]=4 1759 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [0,0,0,0,0,0|3,0,1]=4 1760 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [0,0,0,0,0,0|3,0,1]=4 1761 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [0,0,0,0,0,0|3,0,1]=4 1762 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [0,0,0,0,0,0|3,0,1]=4 1763 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [0,0,0,0,0,0|3,0,1]=4 1764 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [0,0,0,0,0,0|3,0,1]=4 1765 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [0,0,0,0,0,0|3,0,1]=4 1766 B10R0.71 N#CCCCCCCSCF 62a_100009813337_100015361967 [0,0,0,0,0,0|3,0,1]=4 1767 B10R0.71 N#CCCCCCCSCF 62a_100015361967_100009813337 [0,0,0,0,0,0|3,0,1]=4 1768 B10R0.71 N#CCCCCCNCCO 2230a_100016997473_100009813376 [0,0,0,0,0,0|3,0,1]=4 1769 B10R0.71 N#CCCCCCSCC=O 62a_100009813376_200015260668 [0,0,0,0,0,0|2,0,1]=3 1770 B10R0.71 N#CCCCCCSCC=O 62a_200015260668_100009813376 [0,0,0,0,0,0|2,0,1]=3 1771 B10R0.71 N#CCCCCCSCCF 62a_100009813376_100011217306 [0,0,0,0,0,0|3,0,1]=4 1772 B10R0.71 N#CCCCCCSCCF 62a_100011217306_100009813376 [0,0,0,0,0,0|3,0,1]=4 1773 B10R0.71 N#CCCCCCSCCO 62a_100000211926_100009813376 [0,0,0,0,0,0|3,0,1]=4 1774 B10R0.71 N#CCCCCCSCCO 62a_100009813376_100000211926 [0,0,0,0,0,0|3,0,1]=4 1775 B10R0.71 N#CCCCCNCCCF 2230a_100015189416_100000211819 [0,0,0,0,0,0|3,0,1]=4 1776 B10R0.71 N#CCCCCSCCCF 62a_100011219923_100011934791 [0,0,0,0,0,0|3,0,1]=4 1777 B10R0.71 N#CCCCCSCCCF 62a_100011934791_100000211819 [0,0,0,0,0,0|3,0,1]=4 1778 B10R0.71 N#CCCCCSCCCO 62a_100011215043_100000211819 [0,0,0,0,0,0|3,0,1]=4 1779 B10R0.71 N#CCCCCSCCCO 62a_100011219923_100011215043 [0,0,0,0,0,0|3,0,1]=4 1780 B10R0.71 N#CCCCNCCCCO 2230a_100000750430_100000687738 [0,0,0,0,0,0|3,0,1]=4 1781 B10R0.71 N#CCCCOCCCCCl 7a_100000210776_100000687738 [0,0,0,0,0,0|3,0,1]=4 1782 B10R0.71 N#CCCCOCCCCF 7a_100011995726_100000687738 [0,0,0,0,0,0|3,0,1]=4 1783 B10R0.71 N#CCCCSCCCC=O 62a_100000687738_200011292268 [0,0,0,0,0,0|2,0,1]=3 1784 B10R0.71 N#CCCCSCCCC=O 62a_200011292268_100000687738 [0,0,0,0,0,0|2,0,1]=3 1785 B10R0.71 N#CCCCSCCCCF 62a_100000687738_100000729493 [0,0,0,0,0,0|3,0,1]=4 1786 B10R0.71 N#CCCCSCCCCF 62a_100000729493_100000687738 [0,0,0,0,0,0|3,0,1]=4 1787 B10R0.71 N#CCCCSCCCCO 62a_100000210776_100000687738 [0,0,0,0,0,0|3,0,1]=4 1788 B10R0.71 N#CCCCSCCCCO 62a_100000687738_100000210776 [0,0,0,0,0,0|3,0,1]=4 1789 B10R0.71 N#CCCNCCCCCO 2230a_100000762737_100011215226 [0,0,0,0,0,0|3,0,1]=4 1790 B10R0.71 N#CCCOCCCCCBr 7a_100000746331_100000184422 [0,0,0,0,0,0|3,0,1]=4 1791 B10R0.71 N#CCCOCCCCCCl 7a_100000746330_100000184422 [0,0,0,0,0,0|3,0,1]=4 1792 B10R0.71 N#CCCOCCCCCI 7a_200012148887_100000184422 [0,0,0,0,0,0|3,0,1]=4 1793 B10R0.71 N#CCCSCCCCC=O 62a_100000139335_100011215226 [0,0,0,0,0,0|2,0,1]=3 1794 B10R0.71 N#CCCSCCCCC=O 62a_100011215226_100000139335 [0,0,0,0,0,0|2,0,1]=3 1795 B10R0.71 N#CCCSCCCCCF 62a_100000729378_100011215226 [0,0,0,0,0,0|3,0,1]=4 1796 B10R0.71 N#CCCSCCCCCF 62a_100011215226_100000729378 [0,0,0,0,0,0|3,0,1]=4 1797 B10R0.71 N#CCCSCCCCCO 62a_100000746330_100011215226 [0,0,0,0,0,0|3,0,1]=4 1798 B10R0.71 N#CCCSCCCCCO 62a_100011215226_100000746330 [0,0,0,0,0,0|3,0,1]=4 1799 B10R0.71 N#CCNCCCCCCO 2230a_100000686447_100011215382 [0,0,0,0,0,0|3,0,1]=4 1800 B10R0.71 N#CCOCCCCCCBr 7a_100011215345_100011215382 [0,0,0,0,0,0|3,0,1]=4 1801 B10R0.71 N#CCOCCCCCCCl 7a_100000766143_100011215382 [0,0,0,0,0,0|3,0,1]=4 1802 B10R0.71 N#CCOCCCCCCF 7a_100000732779_100011215382 [0,0,0,0,0,0|3,0,1]=4 1803 B10R0.71 N#CCSCCCCCC=O 62a_100000139337_100011215382 [0,0,0,0,0,0|2,0,1]=3 1804 B10R0.71 N#CCSCCCCCC=O 62a_100011215382_100000139337 [0,0,0,0,0,0|2,0,1]=3 1805 B10R0.71 N#CCSCCCCCCF 62a_100011215382_100015922095 [0,0,0,0,0,0|3,0,1]=4 1806 B10R0.71 N#CCSCCCCCCF 62a_100015922095_100011215382 [0,0,0,0,0,0|3,0,1]=4 1807 B10R0.71 N#CCSCCCCCCO 62a_100000766143_100011215382 [0,0,0,0,0,0|3,0,1]=4 1808 B10R0.71 N#CCSCCCCCCO 62a_100011215382_100000766143 [0,0,0,0,0,0|3,0,1]=4 1809 B10R0.71 N#CSCCSCCCC=O 62a_100000034367_200011292268 [0,0,0,0,0,0|3,0,1]=4 1810 B10R0.71 N#CSCCSCCCC=O 62a_200011292268_100000034367 [0,0,0,0,0,0|3,0,1]=4 1811 B10R0.71 N#CSCSCCCCC=O 62a_100000139335_100000211825 [0,0,0,0,0,0|3,0,1]=4 1812 B10R0.71 N#CSCSCCCCC=O 62a_100000211825_100000139335 [0,0,0,0,0,0|3,0,1]=4 1813 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [0,0,0,0,0,0|3,0,1]=4 1814 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [0,0,0,0,0,0|2,0,0]=2 1815 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [0,0,0,0,0,0|3,0,1]=4 1816 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [0,0,0,0,0,0|2,0,2]=4 1817 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [0,0,0,0,0,0|3,0,1]=4 1818 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [0,0,0,0,0,0|2,0,2]=4 1819 B10R0.71 NCCCCOCCCCF 34a_100000750430_100000729493 [0,0,0,0,0,0|3,0,1]=4 1820 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [0,0,0,0,0,0|2,0,2]=4 1821 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [0,0,0,0,0,0|3,0,1]=4 1822 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [0,0,0,0,0,0|2,0,2]=4 1823 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [0,0,0,0,0,0|3,0,1]=4 1824 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [0,0,0,0,0,0|2,0,2]=4 1825 B10R0.71 NOCCOCCCCCF 34a_100000700252_100000729378 [0,0,0,0,0,0|4,0,0]=4 1826 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [0,0,0,0,0,0|4,0,0]=4 1827 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [0,0,0,0,0,0|2,0,0]=2 1828 B10R0.71 O=CCCCCCSCC=O 62a_100000139337_200015260668 [0,0,0,0,0,0|2,0,1]=3 1829 B10R0.71 O=CCCCCCSCC=O 62a_200015260668_100000139337 [0,0,0,0,0,0|2,0,1]=3 1830 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [0,0,0,0,0,0|2,0,0]=2 1831 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [0,0,0,0,0,0|2,0,0]=2 1832 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [0,0,0,0,0,0|2,0,0]=2 1833 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [0,0,0,0,0,0|2,0,0]=2 1834 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [0,0,0,0,0,0|2,0,0]=2 1835 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [0,0,0,0,0,0|2,0,0]=2 1836 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [0,0,0,0,0,0|2,0,0]=2 1837 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [0,0,0,0,0,0|2,0,0]=2 1838 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [0,0,0,0,0,0|2,0,0]=2 1839 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [0,0,0,0,0,0|2,0,0]=2 1840 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [0,0,0,0,0,0|2,0,0]=2 1841 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [0,0,0,0,0,0|2,0,0]=2 1842 B10R0.71 O=CCCCSCC#CCO 62a_200000047223_200011292268 [0,0,0,0,0,0|2,0,2]=4 1843 B10R0.71 O=CCCCSCC#CCO 62a_200011292268_200000047223 [0,0,0,0,0,0|2,0,2]=4 1844 B10R0.71 O=CCCCSCCCC=O 62a_200011292268_200011292268 [0,0,0,0,0,0|2,0,1]=3 1845 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [0,0,0,0,0,0|2,0,0]=2 1846 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [0,0,0,0,0,0|2,0,0]=2 1847 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [0,0,0,0,0,0|2,0,0]=2 1848 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [0,0,0,0,0,0|2,0,0]=2 1849 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [0,0,0,0,0,0|2,0,0]=2 1850 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [0,0,0,0,0,0|2,0,0]=2 1851 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [0,0,0,0,0,0|2,0,0]=2 1852 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [0,0,0,0,0,0|2,0,0]=2 1853 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [0,0,0,0,0,0|2,0,0]=2 1854 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [0,0,0,0,0,0|2,0,0]=2 1855 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [0,0,0,0,0,0|2,0,0]=2 1856 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [0,0,0,0,0,0|2,0,0]=2 1857 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [0,0,0,0,0,0|2,0,0]=2 1858 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [0,0,0,0,0,0|2,0,0]=2 1859 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [0,0,0,0,0,0|2,0,0]=2 1860 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [0,0,0,0,0,0|2,0,0]=2 1861 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [0,0,0,0,0,0|2,0,2]=4 1862 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [0,0,0,0,0,0|2,0,2]=4 1863 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [0,0,0,0,0,0|2,0,2]=4 1864 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [0,0,0,0,0,0|2,0,2]=4 1865 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [0,0,0,0,0,0|2,0,2]=4 1866 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [0,0,0,0,0,0|2,0,2]=4 1867 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [0,0,0,0,0,0|2,0,2]=4 1868 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [0,0,0,0,0,0|2,0,2]=4 1869 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [0,0,0,0,0,0|2,0,2]=4 1870 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [0,0,0,0,0,0|2,0,2]=4 1871 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [0,0,0,0,0,0|2,0,2]=4 1872 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [0,0,0,0,0,0|2,0,2]=4 1873 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [0,0,0,0,0,0|2,0,2]=4 1874 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [0,0,0,0,0,0|2,0,2]=4 1875 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [0,0,0,0,0,0|2,0,2]=4 1876 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [0,0,0,0,0,0|2,0,2]=4 1877 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [0,0,0,0,0,0|2,0,2]=4 1878 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [0,0,0,0,0,0|2,0,2]=4 1879 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [0,0,0,0,0,0|2,0,2]=4 1880 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [0,0,0,0,0,0|2,0,2]=4 1881 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [0,0,0,0,0,0|2,0,2]=4 1882 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [0,0,0,0,0,0|2,0,2]=4 1883 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [0,0,0,0,0,0|2,0,2]=4 1884 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [0,0,0,0,0,0|2,0,2]=4 1885 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [0,0,0,0,0,0|2,0,2]=4 1886 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [0,0,0,0,0,0|2,0,2]=4 1887 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [0,0,0,0,0,0|2,0,2]=4 1888 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [0,0,0,0,0,0|2,0,2]=4 1889 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [0,0,0,0,0,0|2,0,2]=4 1890 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [0,0,0,0,0,0|2,0,2]=4 1891 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [0,0,0,0,0,0|2,0,2]=4 1892 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [0,0,0,0,0,0|2,0,2]=4 1893 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [0,0,0,0,0,0|2,0,2]=4 1894 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [0,0,0,0,0,0|2,0,2]=4 1895 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [0,0,0,0,0,0|2,0,2]=4 1896 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [0,0,0,0,0,0|2,0,2]=4 1897 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [0,0,0,0,0,0|2,0,2]=4 1898 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [0,0,0,0,0,0|2,0,2]=4 1899 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [0,0,0,0,0,0|2,0,2]=4 1900 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [0,0,0,0,0,0|2,0,2]=4 1901 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [0,0,0,0,0,0|2,0,2]=4 1902 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [0,0,0,0,0,0|2,0,2]=4 1903 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [0,0,0,0,0,0|2,0,2]=4 1904 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [0,0,0,0,0,0|2,0,2]=4 1905 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [0,0,0,0,0,0|2,0,2]=4 1906 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [0,0,0,0,0,0|2,0,2]=4 1907 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [0,0,0,0,0,0|2,0,2]=4 1908 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [0,0,0,0,0,0|2,0,2]=4 1909 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [0,0,0,0,0,0|2,0,2]=4 1910 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [0,0,0,0,0,0|2,0,2]=4 1911 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [0,0,0,0,0,0|2,0,2]=4 1912 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [0,0,0,0,0,0|2,0,2]=4 1913 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [0,0,0,0,0,0|2,0,2]=4 1914 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [0,0,0,0,0,0|2,0,2]=4 1915 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [0,0,0,0,0,0|2,0,2]=4 1916 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [0,0,0,0,0,0|2,0,2]=4 1917 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [0,0,0,0,0,0|2,0,2]=4 1918 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [0,0,0,0,0,0|2,0,2]=4 1919 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [0,0,0,0,0,0|2,0,2]=4 1920 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [0,0,0,0,0,0|1,0,2]=3 1921 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [0,0,0,0,0,0|1,0,2]=3 1922 B10R0.71 [13CH3]NCCCCCCN=[N+]=[N-] 2230a_200000049180_200025704644 [0,0,0,0,0,0|4,0,0]=4 1923 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [0,0,0,0,0,0|2,0,1]=3 1924 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [0,0,0,0,0,0|2,0,1]=3 1925 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [0,0,0,0,0,0|2,0,1]=3 1926 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [0,0,0,0,0,0|2,0,1]=3 1927 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [0,0,0,0,0,0|2,0,1]=3 1928 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [0,0,0,0,0,0|3,0,1]=4 1929 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [0,0,0,0,0,0|1,0,2]=3 1930 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [0,0,0,0,0,0|1,0,2]=3 1931 B10R0.71 [N-]=[N+]=NCCCCNCC=O 2230a_100000101370_200015260668 [0,0,0,0,0,0|4,0,0]=4 1932 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [1,0,0,0,0,0|1,0,2]=4 1933 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [1,0,0,0,0,0|1,0,2]=4 1934 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [1,0,0,0,0,0|1,0,2]=4 1935 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [1,0,0,0,0,0|1,0,2]=4 1936 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [1,0,0,0,0,0|1,0,2]=4 1937 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [1,0,0,0,0,0|1,0,2]=4 1938 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [1,0,0,0,0,0|1,0,2]=4 1939 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [1,0,0,0,0,0|1,0,2]=4 1940 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [1,0,0,0,0,0|1,0,2]=4 1941 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [1,0,0,0,0,0|1,0,2]=4 1942 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [1,0,0,0,0,0|1,0,2]=4 1943 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [1,0,0,0,0,0|1,0,2]=4 1944 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [1,0,0,0,0,0|1,0,2]=4 1945 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [1,0,0,0,0,0|1,0,2]=4 1946 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [1,0,0,0,0,0|1,0,2]=4 1947 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [1,0,0,0,0,0|1,0,2]=4 1948 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [1,0,0,0,0,0|1,0,2]=4 1949 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [1,0,0,0,0,0|1,0,2]=4 1950 B9R0.45 C#CCCCCNCC=O 2230a_100000706060_200015260668 [1,0,0,0,0,0|1,0,2]=4 1951 B9R0.45 C#CCCCCNCC=O 34a_100000706060_200009817547 [1,0,0,0,0,0|1,0,2]=4 1952 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [1,0,0,0,0,0|1,0,2]=4 1953 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [1,0,0,0,0,0|1,0,2]=4 1954 B9R0.45 C#CCCCCOCC=O 34a_100000766709_200009817547 [1,0,0,0,0,0|1,0,2]=4 1955 B9R0.45 C#CCCCCOCC=O 7a_100000766709_200015260668 [1,0,0,0,0,0|1,0,2]=4 1956 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [1,0,0,0,0,0|1,0,2]=4 1957 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [1,0,0,0,0,0|1,0,2]=4 1958 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [1,0,0,0,0,0|1,0,2]=4 1959 B9R0.45 C#CCCCCSCC=O 62a_100010269958_200015260668 [1,0,0,0,0,0|1,0,2]=4 1960 B9R0.45 C#CCCCCSCC=O 62a_200015260668_100010269958 [1,0,0,0,0,0|1,0,2]=4 1961 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [1,0,0,0,0,0|1,0,2]=4 1962 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [1,0,0,0,0,0|1,0,2]=4 1963 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [1,0,0,0,0,0|1,0,2]=4 1964 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [1,0,0,0,0,0|1,0,2]=4 1965 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [1,0,0,0,0,0|1,0,2]=4 1966 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [1,0,0,0,0,0|1,0,2]=4 1967 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [1,0,0,0,0,0|1,0,2]=4 1968 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [1,0,0,0,0,0|1,0,2]=4 1969 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [1,0,0,0,0,0|1,0,2]=4 1970 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [1,0,0,0,0,0|1,0,2]=4 1971 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [1,0,0,0,0,0|1,0,2]=4 1972 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [1,0,0,0,0,0|1,0,2]=4 1973 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [1,0,0,0,0,0|1,0,2]=4 1974 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [1,0,0,0,0,0|1,0,2]=4 1975 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [1,0,0,0,0,0|1,0,2]=4 1976 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [1,0,0,0,0,0|1,0,2]=4 1977 B9R0.45 C#CCCSCCCC=O 62a_100000688953_200011292268 [1,0,0,0,0,0|1,0,2]=4 1978 B9R0.45 C#CCCSCCCC=O 62a_200011292268_100000688953 [1,0,0,0,0,0|1,0,2]=4 1979 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [1,0,0,0,0,0|1,0,2]=4 1980 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [1,0,0,0,0,0|1,0,2]=4 1981 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [1,0,0,0,0,0|1,0,2]=4 1982 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [1,0,0,0,0,0|1,0,2]=4 1983 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [1,0,0,0,0,0|1,0,2]=4 1984 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [1,0,0,0,0,0|1,0,2]=4 1985 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [1,0,0,0,0,0|1,0,2]=4 1986 B9R0.45 C#CCSCCCCC=O 62a_100000038162_100000139335 [1,0,0,0,0,0|1,0,2]=4 1987 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [1,0,0,0,0,0|1,0,2]=4 1988 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,0,0,0,0,0|2,0,1]=4 1989 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|2,0,1]=4 1990 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|2,0,1]=4 1991 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|2,0,1]=4 1992 B9R0.45 C/C=C/CSCCCC=O 62a_100102629194_200011292268 [1,0,0,0,0,0|1,0,2]=4 1993 B9R0.45 C/C=C/CSCCCC=O 62a_200011292268_100102629194 [1,0,0,0,0,0|1,0,2]=4 1994 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,0,0,0,0,0|2,0,1]=4 1995 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,0,0,0,0,0|2,0,1]=4 1996 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,0,0,0,0,0|1,0,1]=3 1997 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,0,0,0,0,0|1,0,1]=3 1998 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,0,0,0,0,0|1,0,1]=3 1999 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,0,0,0,0,0|1,0,1]=3 2000 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,0,0,0,0,0|1,0,1]=3 2001 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,0,0,0,0,0|1,0,1]=3 2002 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,0,0,0,0,0|1,0,1]=3 2003 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,0,0,0,0,0|1,0,1]=3 2004 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,0,0,0,0,0|1,0,1]=3 2005 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,0,0,0,0,0|1,0,1]=3 2006 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,0,0,0,0,0|1,0,1]=3 2007 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,0,0,0,0,0|1,0,1]=3 2008 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,0,0,0,0,0|1,0,1]=3 2009 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,0,0,0,0,0|1,0,1]=3 2010 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,0,0,0,0,0|1,0,1]=3 2011 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,0,0,0,0,0|1,0,1]=3 2012 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [1,0,0,0,0,0|2,0,1]=4 2013 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [1,0,0,0,0,0|2,0,1]=4 2014 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,0,0,0,0,0|1,0,1]=3 2015 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,0,0,0,0,0|1,0,1]=3 2016 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [1,0,0,0,0,0|2,0,1]=4 2017 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [1,0,0,0,0,0|2,0,1]=4 2018 B9R0.45 C=CCCCCNCC=O 2230a_100000703577_200015260668 [1,0,0,0,0,0|1,0,2]=4 2019 B9R0.45 C=CCCCCNCC=O 34a_100000703577_200009817547 [1,0,0,0,0,0|1,0,2]=4 2020 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [1,0,0,0,0,0|1,0,1]=3 2021 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [1,0,0,0,0,0|1,0,1]=3 2022 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [1,0,0,0,0,0|2,0,1]=4 2023 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [1,0,0,0,0,0|2,0,1]=4 2024 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [1,0,0,0,0,0|2,0,1]=4 2025 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [1,0,0,0,0,0|2,0,1]=4 2026 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [1,0,0,0,0,0|2,0,1]=4 2027 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [1,0,0,0,0,0|2,0,1]=4 2028 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [1,0,0,0,0,0|2,0,1]=4 2029 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [1,0,0,0,0,0|2,0,1]=4 2030 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [1,0,0,0,0,0|2,0,1]=4 2031 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [1,0,0,0,0,0|2,0,1]=4 2032 B9R0.45 C=CCCCCOCC=O 34a_100000766645_200009817547 [1,0,0,0,0,0|1,0,2]=4 2033 B9R0.45 C=CCCCCOCC=O 7a_100000766645_200015260668 [1,0,0,0,0,0|1,0,2]=4 2034 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [1,0,0,0,0,0|2,0,1]=4 2035 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [1,0,0,0,0,0|1,0,1]=3 2036 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [1,0,0,0,0,0|1,0,1]=3 2037 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [1,0,0,0,0,0|1,0,1]=3 2038 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [1,0,0,0,0,0|2,0,1]=4 2039 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [1,0,0,0,0,0|2,0,1]=4 2040 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [1,0,0,0,0,0|2,0,1]=4 2041 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [1,0,0,0,0,0|2,0,1]=4 2042 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [1,0,0,0,0,0|2,0,1]=4 2043 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [1,0,0,0,0,0|2,0,1]=4 2044 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [1,0,0,0,0,0|1,0,2]=4 2045 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [1,0,0,0,0,0|1,0,2]=4 2046 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [1,0,0,0,0,0|1,0,1]=3 2047 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [1,0,0,0,0,0|1,0,1]=3 2048 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [1,0,0,0,0,0|2,0,1]=4 2049 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [1,0,0,0,0,0|2,0,1]=4 2050 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [1,0,0,0,0,0|2,0,1]=4 2051 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [1,0,0,0,0,0|2,0,1]=4 2052 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [1,0,0,0,0,0|2,0,1]=4 2053 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [1,0,0,0,0,0|2,0,1]=4 2054 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [1,0,0,0,0,0|2,0,1]=4 2055 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [1,0,0,0,0,0|2,0,1]=4 2056 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [1,0,0,0,0,0|1,0,1]=3 2057 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [1,0,0,0,0,0|1,0,1]=3 2058 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [1,0,0,0,0,0|1,0,1]=3 2059 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [1,0,0,0,0,0|1,0,1]=3 2060 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [1,0,0,0,0,0|2,0,1]=4 2061 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [1,0,0,0,0,0|2,0,1]=4 2062 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [1,0,0,0,0,0|2,0,1]=4 2063 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [1,0,0,0,0,0|2,0,1]=4 2064 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [1,0,0,0,0,0|2,0,1]=4 2065 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [1,0,0,0,0,0|2,0,1]=4 2066 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [1,0,0,0,0,0|2,0,1]=4 2067 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [1,0,0,0,0,0|2,0,1]=4 2068 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [1,0,0,0,0,0|2,0,1]=4 2069 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [1,0,0,0,0,0|2,0,1]=4 2070 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [1,0,0,0,0,0|2,0,1]=4 2071 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [1,0,0,0,0,0|2,0,1]=4 2072 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [1,0,0,0,0,0|2,0,1]=4 2073 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [1,0,0,0,0,0|1,0,1]=3 2074 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [1,0,0,0,0,0|1,0,1]=3 2075 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [1,0,0,0,0,0|1,0,1]=3 2076 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [1,0,0,0,0,0|1,0,1]=3 2077 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [1,0,0,0,0,0|2,0,1]=4 2078 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [1,0,0,0,0,0|2,0,1]=4 2079 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [1,0,0,0,0,0|2,0,1]=4 2080 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [1,0,0,0,0,0|2,0,1]=4 2081 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [1,0,0,0,0,0|2,0,1]=4 2082 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [1,0,0,0,0,0|2,0,1]=4 2083 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [1,0,0,0,0,0|2,0,1]=4 2084 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [1,0,0,0,0,0|2,0,1]=4 2085 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [1,0,0,0,0,0|2,0,1]=4 2086 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [1,0,0,0,0,0|2,0,1]=4 2087 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [1,0,0,0,0,0|2,0,1]=4 2088 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [1,0,0,0,0,0|2,0,1]=4 2089 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [1,0,0,0,0,0|2,0,1]=4 2090 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [1,0,0,0,0,0|2,0,1]=4 2091 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [1,0,0,0,0,0|1,0,1]=3 2092 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [1,0,0,0,0,0|1,0,1]=3 2093 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [1,0,0,0,0,0|2,0,1]=4 2094 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [1,0,0,0,0,0|2,0,1]=4 2095 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [1,0,0,0,0,0|2,0,1]=4 2096 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [1,0,0,0,0,0|2,0,1]=4 2097 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [1,0,0,0,0,0|2,0,1]=4 2098 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [1,0,0,0,0,0|2,0,1]=4 2099 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [1,0,0,0,0,0|2,0,1]=4 2100 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [1,0,0,0,0,0|2,0,1]=4 2101 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [1,0,0,0,0,0|2,0,1]=4 2102 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [1,0,0,0,0,0|2,0,1]=4 2103 B9R0.45 C=CCCNCCCC=O 2230a_100015191253_200011292268 [1,0,0,0,0,0|1,0,2]=4 2104 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [1,0,0,0,0,0|1,0,1]=3 2105 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [1,0,0,0,0,0|1,0,1]=3 2106 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [1,0,0,0,0,0|2,0,1]=4 2107 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [1,0,0,0,0,0|2,0,1]=4 2108 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [1,0,0,0,0,0|2,0,1]=4 2109 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [1,0,0,0,0,0|2,0,1]=4 2110 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [1,0,0,0,0,0|2,0,1]=4 2111 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [1,0,0,0,0,0|2,0,1]=4 2112 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [1,0,0,0,0,0|2,0,1]=4 2113 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [1,0,0,0,0,0|2,0,1]=4 2114 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [1,0,0,0,0,0|2,0,1]=4 2115 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [1,0,0,0,0,0|2,0,1]=4 2116 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [1,0,0,0,0,0|2,0,1]=4 2117 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [1,0,0,0,0,0|2,0,1]=4 2118 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [1,0,0,0,0,0|2,0,1]=4 2119 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,0,0,0,0,0|1,0,1]=3 2120 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,0,0,0,0,0|1,0,1]=3 2121 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,0,0,0,0,0|1,0,1]=3 2122 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [1,0,0,0,0,0|2,0,1]=4 2123 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [1,0,0,0,0,0|2,0,1]=4 2124 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [1,0,0,0,0,0|2,0,1]=4 2125 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [1,0,0,0,0,0|2,0,1]=4 2126 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [1,0,0,0,0,0|2,0,1]=4 2127 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [1,0,0,0,0,0|2,0,1]=4 2128 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [1,0,0,0,0,0|2,0,1]=4 2129 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [1,0,0,0,0,0|2,0,1]=4 2130 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [1,0,0,0,0,0|2,0,1]=4 2131 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [1,0,0,0,0,0|2,0,1]=4 2132 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [1,0,0,0,0,0|2,0,1]=4 2133 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [1,0,0,0,0,0|2,0,1]=4 2134 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [1,0,0,0,0,0|2,0,1]=4 2135 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [1,0,0,0,0,0|2,0,1]=4 2136 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [1,0,0,0,0,0|2,0,1]=4 2137 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [1,0,0,0,0,0|2,0,1]=4 2138 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [1,0,0,0,0,0|2,0,1]=4 2139 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [1,0,0,0,0,0|2,0,1]=4 2140 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [1,0,0,0,0,0|2,0,1]=4 2141 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [1,0,0,0,0,0|1,0,2]=4 2142 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [1,0,0,0,0,0|1,0,2]=4 2143 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [1,0,0,0,0,0|1,0,1]=3 2144 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [1,0,0,0,0,0|1,0,1]=3 2145 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [1,0,0,0,0,0|2,0,1]=4 2146 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [1,0,0,0,0,0|2,0,1]=4 2147 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [1,0,0,0,0,0|2,0,1]=4 2148 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [1,0,0,0,0,0|2,0,1]=4 2149 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [1,0,0,0,0,0|2,0,1]=4 2150 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [1,0,0,0,0,0|2,0,1]=4 2151 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [1,0,0,0,0,0|2,0,1]=4 2152 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [1,0,0,0,0,0|2,0,1]=4 2153 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [1,0,0,0,0,0|2,0,1]=4 2154 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [1,0,0,0,0,0|2,0,1]=4 2155 B9R0.45 C=CCNCCCCC=O 2230a_100020586998_100000139335 [1,0,0,0,0,0|1,0,2]=4 2156 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,0,0,0,0,0|1,0,1]=3 2157 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,0,0,0,0,0|1,0,1]=3 2158 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [1,0,0,0,0,0|2,0,1]=4 2159 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [1,0,0,0,0,0|2,0,1]=4 2160 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [1,0,0,0,0,0|2,0,1]=4 2161 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [1,0,0,0,0,0|2,0,1]=4 2162 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [1,0,0,0,0,0|2,0,1]=4 2163 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [1,0,0,0,0,0|2,0,1]=4 2164 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [1,0,0,0,0,0|2,0,1]=4 2165 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [1,0,0,0,0,0|2,0,1]=4 2166 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [1,0,0,0,0,0|2,0,1]=4 2167 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [1,0,0,0,0,0|2,0,1]=4 2168 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [1,0,0,0,0,0|2,0,1]=4 2169 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [1,0,0,0,0,0|2,0,1]=4 2170 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [1,0,0,0,0,0|2,0,1]=4 2171 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [1,0,0,0,0,0|2,0,1]=4 2172 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [1,0,0,0,0,0|2,0,1]=4 2173 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,0,0,0,0,0|1,0,1]=3 2174 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,0,0,0,0,0|1,0,1]=3 2175 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,0,0,0,0,0|1,0,1]=3 2176 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [1,0,0,0,0,0|2,0,1]=4 2177 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [1,0,0,0,0,0|2,0,1]=4 2178 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [1,0,0,0,0,0|2,0,1]=4 2179 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [1,0,0,0,0,0|2,0,1]=4 2180 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [1,0,0,0,0,0|2,0,1]=4 2181 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [1,0,0,0,0,0|2,0,1]=4 2182 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [1,0,0,0,0,0|2,0,1]=4 2183 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [1,0,0,0,0,0|2,0,1]=4 2184 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [1,0,0,0,0,0|2,0,1]=4 2185 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [1,0,0,0,0,0|2,0,1]=4 2186 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [1,0,0,0,0,0|2,0,1]=4 2187 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [1,0,0,0,0,0|2,0,1]=4 2188 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [1,0,0,0,0,0|2,0,1]=4 2189 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [1,0,0,0,0,0|2,0,1]=4 2190 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [1,0,0,0,0,0|2,0,1]=4 2191 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [1,0,0,0,0,0|2,0,1]=4 2192 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [1,0,0,0,0,0|2,0,1]=4 2193 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [1,0,0,0,0,0|2,0,1]=4 2194 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [1,0,0,0,0,0|2,0,1]=4 2195 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [1,0,0,0,0,0|2,0,1]=4 2196 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [1,0,0,0,0,0|2,0,1]=4 2197 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [1,0,0,0,0,0|2,0,1]=4 2198 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [1,0,0,0,0,0|2,0,1]=4 2199 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [1,0,0,0,0,0|2,0,1]=4 2200 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [1,0,0,0,0,0|1,0,2]=4 2201 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [1,0,0,0,0,0|1,0,2]=4 2202 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,0,0,0,0,0|1,0,1]=3 2203 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,0,0,0,0,0|1,0,1]=3 2204 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [1,0,0,0,0,0|2,0,1]=4 2205 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [1,0,0,0,0,0|2,0,1]=4 2206 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [1,0,0,0,0,0|2,0,1]=4 2207 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [1,0,0,0,0,0|2,0,1]=4 2208 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [1,0,0,0,0,0|2,0,1]=4 2209 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [1,0,0,0,0,0|2,0,1]=4 2210 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [1,0,0,0,0,0|2,0,1]=4 2211 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [1,0,0,0,0,0|2,0,1]=4 2212 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [1,0,0,0,0,0|2,0,1]=4 2213 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [1,0,0,0,0,0|2,0,1]=4 2214 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [1,0,0,0,0,0|2,0,1]=4 2215 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [1,0,0,0,0,0|2,0,1]=4 2216 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [1,0,0,0,0,0|2,0,1]=4 2217 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [1,0,0,0,0,0|2,0,1]=4 2218 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [1,0,0,0,0,0|2,0,1]=4 2219 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [1,0,0,0,0,0|2,0,1]=4 2220 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [1,0,0,0,0,0|2,0,1]=4 2221 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [1,0,0,0,0,0|2,0,1]=4 2222 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [1,0,0,0,0,0|2,0,1]=4 2223 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [1,0,0,0,0,0|2,0,1]=4 2224 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [1,0,0,0,0,0|2,0,1]=4 2225 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [1,0,0,0,0,0|2,0,1]=4 2226 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [1,0,0,0,0,0|2,0,1]=4 2227 B9R0.45 CC#CCNCCCC=O 2230a_100000685387_200011292268 [1,0,0,0,0,0|1,0,2]=4 2228 B9R0.45 CC#CCSCCCC=O 62a_100000748600_200011292268 [1,0,0,0,0,0|1,0,2]=4 2229 B9R0.45 CC#CCSCCCC=O 62a_200011292268_100000748600 [1,0,0,0,0,0|1,0,2]=4 2230 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [1,0,0,0,0,0|1,0,2]=4 2231 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [1,0,0,0,0,0|1,0,2]=4 2232 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [1,0,0,0,0,0|1,0,2]=4 2233 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [1,0,0,0,0,0|1,0,2]=4 2234 B9R0.45 CC=CCCCOCC=O 34a_100020645299_200009817547 [1,0,0,0,0,0|1,0,2]=4 2235 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,0,0,0,0|2,0,1]=4 2236 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,0,0,0,0,0|2,0,1]=4 2237 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|2,0,1]=4 2238 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|2,0,1]=4 2239 B9R0.45 CC=CCSCCCC=O 62a_100000070051_200011292268 [1,0,0,0,0,0|1,0,2]=4 2240 B9R0.45 CC=CCSCCCC=O 62a_200011292268_100000070051 [1,0,0,0,0,0|1,0,2]=4 2241 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,0,0,0,0,0|2,0,1]=4 2242 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,0,0,0,0,0|2,0,1]=4 2243 B9R0.45 CCC#CCCOCC=O 34a_100000036655_200009817547 [1,0,0,0,0,0|1,0,2]=4 2244 B9R0.45 CCC#CCCOCC=O 7a_100000036655_200015260668 [1,0,0,0,0,0|1,0,2]=4 2245 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [1,0,0,0,0,0|1,0,2]=4 2246 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [1,0,0,0,0,0|1,0,2]=4 2247 B9R0.45 CCCC#CCOCC=O 34a_100000034806_200009817547 [1,0,0,0,0,0|1,0,2]=4 2248 B9R0.45 CCCC#CCOCC=O 7a_100000034806_200015260668 [1,0,0,0,0,0|1,0,2]=4 2249 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|1,0,1]=3 2250 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|1,0,1]=3 2251 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|1,0,1]=3 2252 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|1,0,1]=3 2253 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|1,0,1]=3 2254 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|1,0,1]=3 2255 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|1,0,1]=3 2256 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|1,0,1]=3 2257 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|1,0,1]=3 2258 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|1,0,1]=3 2259 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|1,0,1]=3 2260 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|1,0,1]=3 2261 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|1,0,1]=3 2262 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|1,0,1]=3 2263 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|1,0,1]=3 2264 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|1,0,1]=3 2265 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|1,0,1]=3 2266 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|1,0,1]=3 2267 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|1,0,1]=3 2268 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|1,0,1]=3 2269 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|1,0,1]=3 2270 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,0,0,0,0,0|2,0,0]=3 2271 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,0,0,0,0,0|2,0,0]=3 2272 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|1,0,1]=3 2273 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|1,0,1]=3 2274 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,0,0,0,0,0|2,0,0]=3 2275 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,0,0,0,0,0|2,0,0]=3 2276 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [1,0,0,0,0,0|2,0,1]=4 2277 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,0,0,0,0,0|1,0,0]=2 2278 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,0,0,0,0,0|1,0,1]=3 2279 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,0,0,0,0,0|2,0,0]=3 2280 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,0,0,0,0,0|2,0,0]=3 2281 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,0,0,0,0,0|1,0,1]=3 2282 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,0,0,0,0,0|1,0,1]=3 2283 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,0,0,0,0,0|1,0,1]=3 2284 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,0,0,0,0,0|2,0,1]=4 2285 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,0,0,0,0,0|2,0,1]=4 2286 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [1,0,0,0,0,0|2,0,1]=4 2287 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,0,0,0,0,0|1,0,0]=2 2288 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,0,0,0,0,0|1,0,0]=2 2289 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,0,0,0,0,0|2,0,0]=3 2290 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|1,0,1]=3 2291 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|1,0,1]=3 2292 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|1,0,1]=3 2293 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,0,0,0,0,0|2,0,0]=3 2294 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,0,0,0,0,0|2,0,0]=3 2295 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,0,0,0,0,0|2,0,0]=3 2296 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,0,0,0,0,0|1,0,1]=3 2297 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,0,0,0,0,0|1,0,1]=3 2298 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|2,0,1]=4 2299 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [1,0,0,0,0,0|2,0,1]=4 2300 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [1,0,0,0,0,0|2,0,1]=4 2301 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,0,0,0,0,0|1,0,0]=2 2302 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,0,0,0,0,0|1,0,0]=2 2303 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,0,0,0,0,0|1,0,1]=3 2304 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,0,0,0,0,0|1,0,1]=3 2305 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,0,0,0,0,0|2,0,0]=3 2306 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,0,0,0,0,0|2,0,0]=3 2307 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,0,0,0,0,0|1,0,1]=3 2308 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,0,0,0,0,0|1,0,1]=3 2309 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,0,0,0,0,0|2,0,1]=4 2310 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,0,0,0,0,0|2,0,1]=4 2311 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,0,0,0,0,0|2,0,1]=4 2312 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,0,0,0,0,0|2,0,1]=4 2313 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [1,0,0,0,0,0|2,0,1]=4 2314 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,0,0,0,0,0|1,0,1]=3 2315 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,0,0,0,0,0|1,0,1]=3 2316 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,0,0,0,0,0|1,0,1]=3 2317 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [1,0,0,0,0,0|2,0,0]=3 2318 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [1,0,0,0,0,0|2,0,0]=3 2319 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [1,0,0,0,0,0|2,0,0]=3 2320 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,0,0,0,0,0|1,0,1]=3 2321 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,0,0,0,0,0|2,0,1]=4 2322 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,0,0,0,0,0|2,0,1]=4 2323 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,0,0,0,0,0|2,0,1]=4 2324 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,0,0,0,0,0|2,0,1]=4 2325 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,0,0,0,0,0|2,0,1]=4 2326 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,0,0,0,0,0|2,0,1]=4 2327 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [1,0,0,0,0,0|2,0,1]=4 2328 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,0,0,0,0,0|2,0,0]=3 2329 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,0,0,0,0,0|1,0,1]=3 2330 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,0,0,0,0,0|1,0,1]=3 2331 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,0,0,0,0,0|1,0,1]=3 2332 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,0,0,0,0,0|1,0,1]=3 2333 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,0,0,0,0,0|2,0,0]=3 2334 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,0,0,0,0,0|2,0,0]=3 2335 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,0,0,0,0,0|2,0,0]=3 2336 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,0,0,0,0,0|2,0,0]=3 2337 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,0,0,0,0,0|2,0,0]=3 2338 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,0,0,0,0,0|1,0,1]=3 2339 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,0,0,0,0,0|1,0,1]=3 2340 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,0,0,0,0,0|2,0,1]=4 2341 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,0,0,0,0,0|2,0,1]=4 2342 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,0,0,0,0,0|2,0,1]=4 2343 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,0,0,0,0,0|2,0,1]=4 2344 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,0,0,0,0,0|2,0,1]=4 2345 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [1,0,0,0,0,0|3,0,0]=4 2346 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,0,0,0,0,0|2,0,1]=4 2347 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,0,0,0,0,0|2,0,1]=4 2348 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,0,0,0,0,0|2,0,1]=4 2349 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,0,0,0,0,0|2,0,1]=4 2350 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,0,0,0,0,0|2,0,1]=4 2351 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,0,0,0,0,0|2,0,1]=4 2352 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [1,0,0,0,0,0|2,0,1]=4 2353 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [1,0,0,0,0,0|2,0,1]=4 2354 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,0,0,0,0,0|1,0,1]=3 2355 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,0,0,0,0,0|1,0,1]=3 2356 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [1,0,0,0,0,0|2,0,0]=3 2357 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [1,0,0,0,0,0|2,0,0]=3 2358 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,0,0,0,0,0|1,0,1]=3 2359 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,0,0,0,0,0|1,0,1]=3 2360 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,0,0,0,0,0|2,0,1]=4 2361 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,0,0,0,0,0|2,0,1]=4 2362 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,0,0,0,0,0|2,0,1]=4 2363 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,0,0,0,0,0|2,0,1]=4 2364 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [1,0,0,0,0,0|2,0,1]=4 2365 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [1,0,0,0,0,0|2,0,1]=4 2366 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [1,0,0,0,0,0|2,0,1]=4 2367 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [1,0,0,0,0,0|2,0,1]=4 2368 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [1,0,0,0,0,0|1,0,0]=2 2369 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [1,0,0,0,0,0|1,0,0]=2 2370 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [1,0,0,0,0,0|2,0,0]=3 2371 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [1,0,0,0,0,0|2,0,0]=3 2372 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,0,0,0,0,0|1,0,1]=3 2373 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,0,0,0,0,0|1,0,1]=3 2374 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,0,0,0,0,0|1,0,1]=3 2375 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,0,0,0,0,0|1,0,1]=3 2376 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,0,0,0,0,0|2,0,1]=4 2377 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,0,0,0,0,0|2,0,1]=4 2378 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,0,0,0,0,0|2,0,1]=4 2379 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,0,0,0,0,0|2,0,1]=4 2380 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [1,0,0,0,0,0|2,0,1]=4 2381 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [1,0,0,0,0,0|2,0,1]=4 2382 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [1,0,0,0,0,0|2,0,1]=4 2383 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [1,0,0,0,0,0|2,0,1]=4 2384 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [1,0,0,0,0,0|2,0,1]=4 2385 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [1,0,0,0,0,0|2,0,1]=4 2386 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [1,0,0,0,0,0|2,0,1]=4 2387 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [1,0,0,0,0,0|2,0,1]=4 2388 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,0,0,0,0,0|1,0,0]=2 2389 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [1,0,0,0,0,0|2,0,0]=3 2390 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [1,0,0,0,0,0|2,0,0]=3 2391 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [1,0,0,0,0,0|2,0,0]=3 2392 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [1,0,0,0,0,0|2,0,0]=3 2393 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [1,0,0,0,0,0|2,0,0]=3 2394 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [1,0,0,0,0,0|2,0,0]=3 2395 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [1,0,0,0,0,0|2,0,0]=3 2396 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [1,0,0,0,0,0|2,0,0]=3 2397 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [1,0,0,0,0,0|2,0,0]=3 2398 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,0,0,0,0,0|1,0,1]=3 2399 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,0,0,0,0,0|1,0,1]=3 2400 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,0,0,0,0,0|2,0,1]=4 2401 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,0,0,0,0,0|2,0,1]=4 2402 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,0,0,0,0,0|2,0,1]=4 2403 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,0,0,0,0,0|2,0,1]=4 2404 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,0,0,0,0,0|2,0,1]=4 2405 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,0,0,0,0,0|2,0,1]=4 2406 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,0,0,0,0,0|2,0,1]=4 2407 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,0,0,0,0,0|2,0,1]=4 2408 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,0,0,0,0,0|2,0,1]=4 2409 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,0,0,0,0,0|2,0,1]=4 2410 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,0,0,0,0,0|2,0,1]=4 2411 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,0,0,0,0,0|2,0,1]=4 2412 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,0,0,0,0,0|2,0,1]=4 2413 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,0,0,0,0,0|2,0,1]=4 2414 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [1,0,0,0,0,0|2,0,1]=4 2415 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [1,0,0,0,0,0|2,0,1]=4 2416 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [1,0,0,0,0,0|2,0,1]=4 2417 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [1,0,0,0,0,0|2,0,1]=4 2418 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [1,0,0,0,0,0|2,0,1]=4 2419 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [1,0,0,0,0,0|2,0,1]=4 2420 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [1,0,0,0,0,0|2,0,1]=4 2421 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [1,0,0,0,0,0|2,0,1]=4 2422 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [1,0,0,0,0,0|3,0,0]=4 2423 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [1,0,0,0,0,0|3,0,0]=4 2424 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [1,0,0,0,0,0|2,0,1]=4 2425 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [1,0,0,0,0,0|2,0,1]=4 2426 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [1,0,0,0,0,0|2,0,1]=4 2427 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [1,0,0,0,0,0|2,0,1]=4 2428 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [1,0,0,0,0,0|2,0,1]=4 2429 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [1,0,0,0,0,0|2,0,1]=4 2430 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [1,0,0,0,0,0|3,0,0]=4 2431 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [1,0,0,0,0,0|3,0,0]=4 2432 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [1,0,0,0,0,0|3,0,0]=4 2433 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [1,0,0,0,0,0|2,0,1]=4 2434 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [1,0,0,0,0,0|2,0,1]=4 2435 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [1,0,0,0,0,0|3,0,0]=4 2436 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [1,0,0,0,0,0|2,0,1]=4 2437 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [1,0,0,0,0,0|3,0,0]=4 2438 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [1,0,0,0,0,0|2,0,0]=3 2439 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [1,0,0,0,0,0|2,0,0]=3 2440 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [1,0,0,0,0,0|2,0,1]=4 2441 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [1,0,0,0,0,0|2,0,1]=4 2442 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [1,0,0,0,0,0|3,0,0]=4 2443 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [1,0,0,0,0,0|3,0,0]=4 2444 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [1,0,0,0,0,0|2,0,1]=4 2445 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [1,0,0,0,0,0|2,0,1]=4 2446 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [1,0,0,0,0,0|2,0,1]=4 2447 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [1,0,0,0,0,0|2,0,1]=4 2448 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [1,0,0,0,0,0|1,0,0]=2 2449 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [1,0,0,0,0,0|1,0,0]=2 2450 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [1,0,0,0,0,0|2,0,0]=3 2451 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [1,0,0,0,0,0|2,0,0]=3 2452 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,0,0,0,0,0|1,0,1]=3 2453 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,0,0,0,0,0|1,0,1]=3 2454 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,0,0,0,0,0|2,0,1]=4 2455 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,0,0,0,0,0|2,0,1]=4 2456 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [1,0,0,0,0,0|2,0,1]=4 2457 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [1,0,0,0,0,0|2,0,1]=4 2458 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [1,0,0,0,0,0|2,0,1]=4 2459 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [1,0,0,0,0,0|2,0,1]=4 2460 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [1,0,0,0,0,0|2,0,1]=4 2461 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [1,0,0,0,0,0|3,0,0]=4 2462 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [1,0,0,0,0,0|3,0,0]=4 2463 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [1,0,0,0,0,0|2,0,1]=4 2464 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [1,0,0,0,0,0|2,0,1]=4 2465 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,0,0,0,0,0|1,0,1]=3 2466 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,0,0,0,0,0|1,0,1]=3 2467 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [1,0,0,0,0,0|2,0,1]=4 2468 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [1,0,0,0,0,0|2,0,1]=4 2469 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [1,0,0,0,0,0|2,0,1]=4 2470 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [1,0,0,0,0,0|2,0,1]=4 2471 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [1,0,0,0,0,0|2,0,1]=4 2472 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [1,0,0,0,0,0|2,0,1]=4 2473 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [1,0,0,0,0,0|2,0,1]=4 2474 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [1,0,0,0,0,0|2,0,1]=4 2475 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,0,0,0,0,0|2,0,0]=3 2476 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,0,0,0,0,0|2,0,0]=3 2477 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,0,0,0,0,0|2,0,0]=3 2478 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,0,0,0,0,0|2,0,0]=3 2479 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,0,0,0,0,0|2,0,0]=3 2480 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,0,0,0,0,0|2,0,0]=3 2481 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,0,0,0,0,0|2,0,0]=3 2482 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,0,0,0,0,0|2,0,0]=3 2483 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,0,0,0,0,0|1,0,1]=3 2484 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,0,0,0,0,0|2,0,1]=4 2485 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,0,0,0,0,0|2,0,1]=4 2486 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,0,0,0,0,0|2,0,1]=4 2487 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,0,0,0,0,0|2,0,1]=4 2488 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,0,0,0,0,0|2,0,1]=4 2489 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,0,0,0,0,0|2,0,1]=4 2490 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [1,0,0,0,0,0|3,0,0]=4 2491 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,0,0,0,0,0|2,0,1]=4 2492 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,0,0,0,0,0|2,0,1]=4 2493 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,0,0,0,0,0|2,0,1]=4 2494 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,0,0,0,0,0|2,0,1]=4 2495 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,0,0,0,0,0|2,0,1]=4 2496 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [1,0,0,0,0,0|2,0,0]=3 2497 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [1,0,0,0,0,0|2,0,0]=3 2498 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [1,0,0,0,0,0|3,0,0]=4 2499 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [1,0,0,0,0,0|3,0,0]=4 2500 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [1,0,0,0,0,0|3,0,0]=4 2501 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [1,0,0,0,0,0|2,0,1]=4 2502 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [1,0,0,0,0,0|2,0,1]=4 2503 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [1,0,0,0,0,0|2,0,1]=4 2504 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [1,0,0,0,0,0|2,0,1]=4 2505 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [1,0,0,0,0,0|2,0,0]=3 2506 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [1,0,0,0,0,0|2,0,0]=3 2507 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [1,0,0,0,0,0|3,0,0]=4 2508 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [1,0,0,0,0,0|3,0,0]=4 2509 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [1,0,0,0,0,0|3,0,0]=4 2510 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [1,0,0,0,0,0|2,0,1]=4 2511 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [1,0,0,0,0,0|2,0,1]=4 2512 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [1,0,0,0,0,0|2,0,1]=4 2513 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [1,0,0,0,0,0|3,0,0]=4 2514 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [1,0,0,0,0,0|3,0,0]=4 2515 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [1,0,0,0,0,0|3,0,0]=4 2516 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [1,0,0,0,0,0|3,0,0]=4 2517 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [1,0,0,0,0,0|3,0,0]=4 2518 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [1,0,0,0,0,0|3,0,0]=4 2519 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [1,0,0,0,0,0|3,0,0]=4 2520 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [1,0,0,0,0,0|3,0,0]=4 2521 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [1,0,0,0,0,0|3,0,0]=4 2522 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [1,0,0,0,0,0|3,0,0]=4 2523 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [1,0,0,0,0,0|2,0,1]=4 2524 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [1,0,0,0,0,0|2,0,1]=4 2525 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [1,0,0,0,0,0|2,0,1]=4 2526 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [1,0,0,0,0,0|2,0,0]=3 2527 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [1,0,0,0,0,0|2,0,0]=3 2528 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [1,0,0,0,0,0|2,0,1]=4 2529 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [1,0,0,0,0,0|2,0,1]=4 2530 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [1,0,0,0,0,0|2,0,1]=4 2531 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [1,0,0,0,0,0|2,0,1]=4 2532 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [1,0,0,0,0,0|3,0,0]=4 2533 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [1,0,0,0,0,0|3,0,0]=4 2534 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [1,0,0,0,0,0|2,0,1]=4 2535 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [1,0,0,0,0,0|2,0,1]=4 2536 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [1,0,0,0,0,0|2,0,1]=4 2537 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [1,0,0,0,0,0|2,0,1]=4 2538 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [1,0,0,0,0,0|1,0,0]=2 2539 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [1,0,0,0,0,0|1,0,0]=2 2540 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,0,0,0,0,0|2,0,0]=3 2541 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,0,0,0,0,0|2,0,0]=3 2542 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,0,0,0,0,0|1,0,1]=3 2543 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,0,0,0,0,0|1,0,1]=3 2544 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,0,0,0,0,0|2,0,1]=4 2545 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,0,0,0,0,0|2,0,1]=4 2546 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [1,0,0,0,0,0|2,0,1]=4 2547 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [1,0,0,0,0,0|2,0,1]=4 2548 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [1,0,0,0,0,0|2,0,0]=3 2549 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [1,0,0,0,0,0|3,0,0]=4 2550 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [1,0,0,0,0,0|2,0,1]=4 2551 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [1,0,0,0,0,0|2,0,0]=3 2552 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [1,0,0,0,0,0|2,0,0]=3 2553 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [1,0,0,0,0,0|3,0,0]=4 2554 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [1,0,0,0,0,0|3,0,0]=4 2555 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [1,0,0,0,0,0|2,0,1]=4 2556 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [1,0,0,0,0,0|2,0,1]=4 2557 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [1,0,0,0,0,0|2,0,1]=4 2558 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [1,0,0,0,0,0|2,0,1]=4 2559 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [1,0,0,0,0,0|2,0,1]=4 2560 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,0,0,0,0,0|1,0,0]=2 2561 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,0,0,0,0,0|2,0,0]=3 2562 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,0,0,0,0,0|1,0,1]=3 2563 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,0,0,0,0,0|1,0,1]=3 2564 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,0,0,0,0,0|1,0,1]=3 2565 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,0,0,0,0,0|2,0,1]=4 2566 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,0,0,0,0,0|2,0,1]=4 2567 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,0,0,0,0,0|2,0,0]=3 2568 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,0,0,0,0,0|2,0,0]=3 2569 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,0,0,0,0,0|2,0,0]=3 2570 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,0,0,0,0,0|2,0,0]=3 2571 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,0,0,0,0,0|2,0,0]=3 2572 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,0,0,0,0,0|2,0,0]=3 2573 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,0,0,0,0,0|2,0,0]=3 2574 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,0,0,0,0,0|2,0,0]=3 2575 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,0,0,0,0,0|1,0,1]=3 2576 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,0,0,0,0,0|2,0,1]=4 2577 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [1,0,0,0,0,0|2,0,0]=3 2578 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [1,0,0,0,0,0|2,0,0]=3 2579 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [1,0,0,0,0,0|3,0,0]=4 2580 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [1,0,0,0,0,0|3,0,0]=4 2581 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [1,0,0,0,0,0|3,0,0]=4 2582 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [1,0,0,0,0,0|2,0,1]=4 2583 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [1,0,0,0,0,0|2,0,1]=4 2584 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [1,0,0,0,0,0|2,0,1]=4 2585 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [1,0,0,0,0,0|2,0,1]=4 2586 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [1,0,0,0,0,0|2,0,0]=3 2587 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [1,0,0,0,0,0|2,0,0]=3 2588 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [1,0,0,0,0,0|3,0,0]=4 2589 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [1,0,0,0,0,0|3,0,0]=4 2590 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [1,0,0,0,0,0|3,0,0]=4 2591 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [1,0,0,0,0,0|3,0,0]=4 2592 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [1,0,0,0,0,0|2,0,1]=4 2593 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [1,0,0,0,0,0|2,0,1]=4 2594 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [1,0,0,0,0,0|2,0,0]=3 2595 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [1,0,0,0,0,0|2,0,0]=3 2596 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [1,0,0,0,0,0|3,0,0]=4 2597 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [1,0,0,0,0,0|3,0,0]=4 2598 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [1,0,0,0,0,0|2,0,1]=4 2599 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [1,0,0,0,0,0|2,0,1]=4 2600 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [1,0,0,0,0,0|3,0,0]=4 2601 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [1,0,0,0,0,0|3,0,0]=4 2602 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [1,0,0,0,0,0|3,0,0]=4 2603 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [1,0,0,0,0,0|3,0,0]=4 2604 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [1,0,0,0,0,0|2,0,1]=4 2605 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [1,0,0,0,0,0|2,0,1]=4 2606 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [1,0,0,0,0,0|3,0,0]=4 2607 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [1,0,0,0,0,0|3,0,0]=4 2608 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [1,0,0,0,0,0|3,0,0]=4 2609 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [1,0,0,0,0,0|3,0,0]=4 2610 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [1,0,0,0,0,0|3,0,0]=4 2611 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [1,0,0,0,0,0|3,0,0]=4 2612 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [1,0,0,0,0,0|2,0,1]=4 2613 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [1,0,0,0,0,0|2,0,1]=4 2614 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [1,0,0,0,0,0|3,0,0]=4 2615 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [1,0,0,0,0,0|3,0,0]=4 2616 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [1,0,0,0,0,0|2,0,1]=4 2617 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [1,0,0,0,0,0|2,0,1]=4 2618 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [1,0,0,0,0,0|2,0,0]=3 2619 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [1,0,0,0,0,0|2,0,0]=3 2620 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [1,0,0,0,0,0|3,0,0]=4 2621 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [1,0,0,0,0,0|3,0,0]=4 2622 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [1,0,0,0,0,0|2,0,1]=4 2623 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [1,0,0,0,0,0|2,0,1]=4 2624 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [1,0,0,0,0,0|2,0,1]=4 2625 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [1,0,0,0,0,0|2,0,1]=4 2626 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,0,0,0,0,0|1,0,0]=2 2627 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,0,0,0,0,0|1,0,0]=2 2628 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,0,0,0,0,0|2,0,0]=3 2629 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,0,0,0,0,0|2,0,0]=3 2630 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,0,0,0,0,0|1,0,1]=3 2631 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,0,0,0,0,0|1,0,1]=3 2632 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [1,0,0,0,0,0|2,0,0]=3 2633 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [1,0,0,0,0,0|2,0,0]=3 2634 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [1,0,0,0,0,0|3,0,0]=4 2635 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [1,0,0,0,0,0|3,0,0]=4 2636 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [1,0,0,0,0,0|2,0,1]=4 2637 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [1,0,0,0,0,0|2,0,1]=4 2638 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [1,0,0,0,0,0|3,0,0]=4 2639 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [1,0,0,0,0,0|3,0,0]=4 2640 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [1,0,0,0,0,0|3,0,0]=4 2641 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [1,0,0,0,0,0|2,0,1]=4 2642 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [1,0,0,0,0,0|3,0,0]=4 2643 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [1,0,0,0,0,0|3,0,0]=4 2644 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [1,0,0,0,0,0|3,0,0]=4 2645 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [1,0,0,0,0,0|3,0,0]=4 2646 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [1,0,0,0,0,0|3,0,0]=4 2647 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [1,0,0,0,0,0|3,0,0]=4 2648 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [1,0,0,0,0,0|2,0,1]=4 2649 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [1,0,0,0,0,0|2,0,1]=4 2650 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [1,0,0,0,0,0|3,0,0]=4 2651 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [1,0,0,0,0,0|3,0,0]=4 2652 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [1,0,0,0,0,0|2,0,1]=4 2653 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [1,0,0,0,0,0|2,0,1]=4 2654 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [1,0,0,0,0,0|2,0,1]=4 2655 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [1,0,0,0,0,0|2,0,1]=4 2656 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,0,0,0,0,0|1,0,1]=3 2657 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,0,0,0,0,0|1,0,1]=3 2658 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,0,0,0,0,0|1,0,1]=3 2659 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,0,0,0,0,0|1,0,1]=3 2660 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,0,0,0,0,0|1,0,1]=3 2661 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,0,0,0,0,0|2,0,1]=4 2662 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,0,0,0,0,0|2,0,1]=4 2663 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,0,0,0,0,0|2,0,1]=4 2664 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [1,0,0,0,0,0|3,0,0]=4 2665 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [1,0,0,0,0,0|3,0,0]=4 2666 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [1,0,0,0,0,0|2,0,1]=4 2667 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [1,0,0,0,0,0|2,0,1]=4 2668 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [1,0,0,0,0,0|2,0,1]=4 2669 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [1,0,0,0,0,0|2,0,0]=3 2670 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [1,0,0,0,0,0|2,0,0]=3 2671 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [1,0,0,0,0,0|2,0,0]=3 2672 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,0,0,0,0,0|1,0,1]=3 2673 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [1,0,0,0,0,0|2,0,1]=4 2674 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [1,0,0,0,0,0|2,0,1]=4 2675 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [1,0,0,0,0,0|2,0,1]=4 2676 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [1,0,0,0,0,0|2,0,1]=4 2677 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [1,0,0,0,0,0|2,0,1]=4 2678 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [1,0,0,0,0,0|2,0,1]=4 2679 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [1,0,0,0,0,0|2,0,1]=4 2680 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [1,0,0,0,0,0|2,0,1]=4 2681 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [1,0,0,0,0,0|2,0,1]=4 2682 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [1,0,0,0,0,0|3,0,0]=4 2683 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [1,0,0,0,0,0|3,0,0]=4 2684 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [1,0,0,0,0,0|2,0,1]=4 2685 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [1,0,0,0,0,0|2,0,1]=4 2686 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [1,0,0,0,0,0|2,0,0]=3 2687 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [1,0,0,0,0,0|3,0,0]=4 2688 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [1,0,0,0,0,0|3,0,0]=4 2689 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [1,0,0,0,0,0|3,0,0]=4 2690 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [1,0,0,0,0,0|2,0,1]=4 2691 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [1,0,0,0,0,0|2,0,0]=3 2692 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [1,0,0,0,0,0|2,0,0]=3 2693 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [1,0,0,0,0,0|3,0,0]=4 2694 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [1,0,0,0,0,0|3,0,0]=4 2695 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [1,0,0,0,0,0|2,0,1]=4 2696 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [1,0,0,0,0,0|2,0,1]=4 2697 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [1,0,0,0,0,0|3,0,0]=4 2698 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [1,0,0,0,0,0|3,0,0]=4 2699 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [1,0,0,0,0,0|3,0,0]=4 2700 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [1,0,0,0,0,0|2,0,1]=4 2701 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [1,0,0,0,0,0|3,0,0]=4 2702 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [1,0,0,0,0,0|3,0,0]=4 2703 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [1,0,0,0,0,0|3,0,0]=4 2704 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [1,0,0,0,0,0|3,0,0]=4 2705 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [1,0,0,0,0,0|3,0,0]=4 2706 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [1,0,0,0,0,0|3,0,0]=4 2707 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [1,0,0,0,0,0|2,0,1]=4 2708 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [1,0,0,0,0,0|3,0,0]=4 2709 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [1,0,0,0,0,0|3,0,0]=4 2710 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [1,0,0,0,0,0|2,0,1]=4 2711 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [1,0,0,0,0,0|2,0,1]=4 2712 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [1,0,0,0,0,0|2,0,0]=3 2713 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [1,0,0,0,0,0|3,0,0]=4 2714 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [1,0,0,0,0,0|2,0,1]=4 2715 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [1,0,0,0,0,0|2,0,1]=4 2716 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [1,0,0,0,0,0|2,0,1]=4 2717 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [1,0,0,0,0,0|3,0,0]=4 2718 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [1,0,0,0,0,0|3,0,0]=4 2719 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [1,0,0,0,0,0|3,0,0]=4 2720 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [1,0,0,0,0,0|3,0,0]=4 2721 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [1,0,0,0,0,0|3,0,0]=4 2722 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [1,0,0,0,0,0|3,0,0]=4 2723 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [1,0,0,0,0,0|3,0,0]=4 2724 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [1,0,0,0,0,0|3,0,0]=4 2725 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [1,0,0,0,0,0|2,0,1]=4 2726 B9R0.45 COCCOCSCC=O 62a_100000231047_200015260668 [1,0,0,0,0,0|3,0,0]=4 2727 B9R0.45 COCCOCSCC=O 62a_200015260668_100000231047 [1,0,0,0,0,0|3,0,0]=4 2728 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [1,0,0,0,0,0|2,0,0]=3 2729 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [1,0,0,0,0,0|2,0,0]=3 2730 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [1,0,0,0,0,0|3,0,0]=4 2731 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [1,0,0,0,0,0|3,0,0]=4 2732 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [1,0,0,0,0,0|2,0,1]=4 2733 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [1,0,0,0,0,0|2,0,1]=4 2734 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [1,0,0,0,0,0|2,0,1]=4 2735 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [1,0,0,0,0,0|2,0,0]=3 2736 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [1,0,0,0,0,0|2,0,0]=3 2737 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [1,0,0,0,0,0|3,0,0]=4 2738 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [1,0,0,0,0,0|3,0,0]=4 2739 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [1,0,0,0,0,0|2,0,1]=4 2740 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [1,0,0,0,0,0|2,0,1]=4 2741 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [1,0,0,0,0,0|2,0,1]=4 2742 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [1,0,0,0,0,0|2,0,1]=4 2743 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,0,0,0,0,0|1,0,1]=3 2744 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,0,0,0,0,0|1,0,1]=3 2745 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [1,0,0,0,0,0|2,0,0]=3 2746 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [1,0,0,0,0,0|2,0,0]=3 2747 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [1,0,0,0,0,0|3,0,0]=4 2748 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [1,0,0,0,0,0|3,0,0]=4 2749 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [1,0,0,0,0,0|2,0,1]=4 2750 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [1,0,0,0,0,0|2,0,1]=4 2751 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [1,0,0,0,0,0|3,0,0]=4 2752 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [1,0,0,0,0,0|2,0,1]=4 2753 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [1,0,0,0,0,0|3,0,0]=4 2754 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [1,0,0,0,0,0|3,0,0]=4 2755 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [1,0,0,0,0,0|2,0,1]=4 2756 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [1,0,0,0,0,0|2,0,1]=4 2757 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [1,0,0,0,0,0|2,0,0]=3 2758 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [1,0,0,0,0,0|3,0,0]=4 2759 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [1,0,0,0,0,0|2,0,1]=4 2760 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [1,0,0,0,0,0|2,0,1]=4 2761 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [1,0,0,0,0,0|2,0,1]=4 2762 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [1,0,0,0,0,0|2,0,0]=3 2763 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [1,0,0,0,0,0|3,0,0]=4 2764 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [1,0,0,0,0,0|3,0,0]=4 2765 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [1,0,0,0,0,0|3,0,0]=4 2766 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [1,0,0,0,0,0|3,0,0]=4 2767 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [1,0,0,0,0,0|3,0,0]=4 2768 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [1,0,0,0,0,0|3,0,0]=4 2769 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [1,0,0,0,0,0|3,0,0]=4 2770 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [1,0,0,0,0,0|3,0,0]=4 2771 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [1,0,0,0,0,0|3,0,0]=4 2772 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [1,0,0,0,0,0|2,0,1]=4 2773 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [1,0,0,0,0,0|2,0,1]=4 2774 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [1,0,0,0,0,0|2,0,0]=3 2775 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [1,0,0,0,0,0|2,0,0]=3 2776 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [1,0,0,0,0,0|3,0,0]=4 2777 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [1,0,0,0,0,0|3,0,0]=4 2778 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [1,0,0,0,0,0|2,0,1]=4 2779 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [1,0,0,0,0,0|2,0,1]=4 2780 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [1,0,0,0,0,0|2,0,1]=4 2781 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [1,0,0,0,0,0|2,0,1]=4 2782 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [1,0,0,0,0,0|3,0,0]=4 2783 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [1,0,0,0,0,0|3,0,0]=4 2784 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [1,0,0,0,0,0|3,0,0]=4 2785 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [1,0,0,0,0,0|3,0,0]=4 2786 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [1,0,0,0,0,0|2,0,0]=3 2787 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [1,0,0,0,0,0|2,0,0]=3 2788 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [1,0,0,0,0,0|3,0,0]=4 2789 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [1,0,0,0,0,0|3,0,0]=4 2790 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [1,0,0,0,0,0|2,0,1]=4 2791 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [1,0,0,0,0,0|2,0,1]=4 2792 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [1,0,0,0,0,0|3,0,0]=4 2793 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [1,0,0,0,0,0|3,0,0]=4 2794 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [1,0,0,0,0,0|3,0,0]=4 2795 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [1,0,0,0,0,0|3,0,0]=4 2796 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [1,0,0,0,0,0|3,0,0]=4 2797 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [1,0,0,0,0,0|3,0,0]=4 2798 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [1,0,0,0,0,0|3,0,0]=4 2799 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [1,0,0,0,0,0|3,0,0]=4 2800 B9R0.45 FCCCCNCCCF 2230a_100015189416_100000729493 [1,0,0,0,0,0|3,0,0]=4 2801 B9R0.45 FCCCCNCCCF 34a_100015189416_100000729493 [1,0,0,0,0,0|3,0,0]=4 2802 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [1,0,0,0,0,0|3,0,0]=4 2803 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [1,0,0,0,0,0|3,0,0]=4 2804 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [1,0,0,0,0,0|3,0,0]=4 2805 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [1,0,0,0,0,0|3,0,0]=4 2806 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [1,0,0,0,0,0|3,0,0]=4 2807 B9R0.45 FCCCCSCCCF 62a_100000729493_100011934791 [1,0,0,0,0,0|3,0,0]=4 2808 B9R0.45 FCCCCSCCCF 62a_100011934791_100000729493 [1,0,0,0,0,0|3,0,0]=4 2809 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [1,0,0,0,0,0|3,0,0]=4 2810 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [1,0,0,0,0,0|3,0,0]=4 2811 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [1,0,0,0,0,0|3,0,0]=4 2812 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [1,0,0,0,0,0|3,0,0]=4 2813 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [1,0,0,0,0,0|3,0,0]=4 2814 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [1,0,0,0,0,0|3,0,0]=4 2815 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [1,0,0,0,0,0|3,0,0]=4 2816 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [1,0,0,0,0,0|3,0,0]=4 2817 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [1,0,0,0,0,0|3,0,0]=4 2818 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [1,0,0,0,0,0|3,0,0]=4 2819 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [1,0,0,0,0,0|3,0,0]=4 2820 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [1,0,0,0,0,0|3,0,0]=4 2821 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [1,0,0,0,0,0|3,0,0]=4 2822 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [1,0,0,0,0,0|3,0,0]=4 2823 B9R0.45 N#CCCCCSCC=O 62a_100011219923_200015260668 [1,0,0,0,0,0|2,0,1]=4 2824 B9R0.45 N#CCCCCSCC=O 62a_200015260668_100000211819 [1,0,0,0,0,0|2,0,1]=4 2825 B9R0.45 N#CCCSCCCC=O 62a_100011215226_200011292268 [1,0,0,0,0,0|2,0,1]=4 2826 B9R0.45 N#CCCSCCCC=O 62a_200011292268_100011215226 [1,0,0,0,0,0|2,0,1]=4 2827 B9R0.45 N#CCSCCCCC=O 62a_100000139335_100011215382 [1,0,0,0,0,0|2,0,1]=4 2828 B9R0.45 N#CCSCCCCC=O 62a_100011215382_100000139335 [1,0,0,0,0,0|2,0,1]=4 2829 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [1,0,0,0,0,0|3,0,0]=4 2830 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [1,0,0,0,0,0|2,0,0]=3 2831 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [1,0,0,0,0,0|3,0,0]=4 2832 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [1,0,0,0,0,0|2,0,1]=4 2833 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [1,0,0,0,0,0|3,0,0]=4 2834 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [1,0,0,0,0,0|2,0,1]=4 2835 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [1,0,0,0,0,0|3,0,0]=4 2836 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [1,0,0,0,0,0|2,0,1]=4 2837 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [1,0,0,0,0,0|3,0,0]=4 2838 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [1,0,0,0,0,0|2,0,1]=4 2839 B9R0.45 NCCOCCOCC=O 34a_100000211614_200009817547 [1,0,0,0,0,0|3,0,0]=4 2840 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [1,0,0,0,0,0|2,0,0]=3 2841 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [1,0,0,0,0,0|2,0,0]=3 2842 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [1,0,0,0,0,0|2,0,0]=3 2843 B9R0.45 O=CCCCCSCC=O 62a_100000139335_200015260668 [1,0,0,0,0,0|2,0,1]=4 2844 B9R0.45 O=CCCCCSCC=O 62a_200015260668_100000139335 [1,0,0,0,0,0|2,0,1]=4 2845 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [1,0,0,0,0,0|2,0,0]=3 2846 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [1,0,0,0,0,0|2,0,0]=3 2847 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [1,0,0,0,0,0|2,0,0]=3 2848 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [1,0,0,0,0,0|2,0,0]=3 2849 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [1,0,0,0,0,0|2,0,0]=3 2850 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [1,0,0,0,0,0|2,0,0]=3 2851 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [1,0,0,0,0,0|2,0,0]=3 2852 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [1,0,0,0,0,0|2,0,0]=3 2853 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [1,0,0,0,0,0|2,0,0]=3 2854 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [1,0,0,0,0,0|2,0,0]=3 2855 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [1,0,0,0,0,0|2,0,0]=3 2856 B9R0.45 O=CCNCCOCCO 2230a_100000211614_200015260668 [1,0,0,0,0,0|3,0,0]=4 2857 B9R0.45 O=CCNCCOCCO 34a_100000211614_200009817547 [1,0,0,0,0,0|3,0,0]=4 2858 B9R0.45 O=CCNCCSCCO 2230a_100011219999_200015260668 [1,0,0,0,0,0|3,0,0]=4 2859 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [1,0,0,0,0,0|2,0,0]=3 2860 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [1,0,0,0,0,0|2,0,0]=3 2861 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [1,0,0,0,0,0|2,0,0]=3 2862 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [1,0,0,0,0,0|2,0,0]=3 2863 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [1,0,0,0,0,0|2,0,0]=3 2864 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [1,0,0,0,0,0|2,0,0]=3 2865 B9R0.45 O=CCOCCOCCBr 34a_100000692535_200009817547 [1,0,0,0,0,0|3,0,0]=4 2866 B9R0.45 O=CCOCCOCCBr 7a_100000692535_200015260668 [1,0,0,0,0,0|3,0,0]=4 2867 B9R0.45 O=CCOCCOCCCl 34a_100011215305_200009817547 [1,0,0,0,0,0|3,0,0]=4 2868 B9R0.45 O=CCOCCOCCCl 7a_100011215305_200015260668 [1,0,0,0,0,0|3,0,0]=4 2869 B9R0.45 O=CCOCCOCCF 34a_200015357709_200009817547 [1,0,0,0,0,0|3,0,0]=4 2870 B9R0.45 O=CCOCCOCCF 7a_200015357709_200015260668 [1,0,0,0,0,0|3,0,0]=4 2871 B9R0.45 O=CCOCCOCCI 34a_100012149058_200009817547 [1,0,0,0,0,0|3,0,0]=4 2872 B9R0.45 O=CCOCCOCCI 7a_100012149058_200015260668 [1,0,0,0,0,0|3,0,0]=4 2873 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [1,0,0,0,0,0|2,0,0]=3 2874 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [1,0,0,0,0,0|2,0,0]=3 2875 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [1,0,0,0,0,0|2,0,0]=3 2876 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [1,0,0,0,0,0|2,0,0]=3 2877 B9R0.45 O=CCSCCOCCO 62a_100011215305_200015260668 [1,0,0,0,0,0|3,0,0]=4 2878 B9R0.45 O=CCSCCOCCO 62a_200015260668_100011215305 [1,0,0,0,0,0|3,0,0]=4 2879 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [1,0,0,0,0,0|2,0,1]=4 2880 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [1,0,0,0,0,0|2,0,1]=4 2881 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [1,0,0,0,0,0|2,0,1]=4 2882 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [1,0,0,0,0,0|2,0,1]=4 2883 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [1,0,0,0,0,0|2,0,1]=4 2884 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [1,0,0,0,0,0|2,0,1]=4 2885 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [1,0,0,0,0,0|2,0,1]=4 2886 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [1,0,0,0,0,0|2,0,1]=4 2887 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [1,0,0,0,0,0|2,0,1]=4 2888 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [1,0,0,0,0,0|2,0,1]=4 2889 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [1,0,0,0,0,0|2,0,1]=4 2890 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [1,0,0,0,0,0|2,0,1]=4 2891 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [1,0,0,0,0,0|2,0,1]=4 2892 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [1,0,0,0,0,0|2,0,1]=4 2893 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [1,0,0,0,0,0|2,0,1]=4 2894 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [1,0,0,0,0,0|2,0,1]=4 2895 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [1,0,0,0,0,0|2,0,1]=4 2896 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [1,0,0,0,0,0|2,0,1]=4 2897 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [1,0,0,0,0,0|2,0,1]=4 2898 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [1,0,0,0,0,0|2,0,1]=4 2899 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [1,0,0,0,0,0|2,0,1]=4 2900 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [1,0,0,0,0,0|2,0,1]=4 2901 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [1,0,0,0,0,0|2,0,1]=4 2902 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [1,0,0,0,0,0|2,0,1]=4 2903 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [1,0,0,0,0,0|2,0,1]=4 2904 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [1,0,0,0,0,0|2,0,1]=4 2905 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [1,0,0,0,0,0|2,0,1]=4 2906 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [1,0,0,0,0,0|2,0,1]=4 2907 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [1,0,0,0,0,0|2,0,1]=4 2908 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [1,0,0,0,0,0|2,0,1]=4 2909 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [1,0,0,0,0,0|2,0,1]=4 2910 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [1,0,0,0,0,0|2,0,1]=4 2911 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [1,0,0,0,0,0|2,0,1]=4 2912 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [1,0,0,0,0,0|2,0,1]=4 2913 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [1,0,0,0,0,0|2,0,1]=4 2914 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [1,0,0,0,0,0|2,0,1]=4 2915 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [1,0,0,0,0,0|2,0,1]=4 2916 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [1,0,0,0,0,0|2,0,1]=4 2917 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [1,0,0,0,0,0|2,0,1]=4 2918 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [1,0,0,0,0,0|2,0,1]=4 2919 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [1,0,0,0,0,0|2,0,1]=4 2920 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [1,0,0,0,0,0|2,0,1]=4 2921 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [1,0,0,0,0,0|2,0,1]=4 2922 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [1,0,0,0,0,0|2,0,1]=4 2923 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [1,0,0,0,0,0|2,0,1]=4 2924 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [1,0,0,0,0,0|2,0,1]=4 2925 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,0,0,0,0,0|1,0,1]=3 2926 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,0,0,0,0,0|1,0,1]=3 2927 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [1,0,0,0,0,0|2,0,1]=4 2928 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [1,0,0,0,0,0|2,0,1]=4 2929 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [1,0,0,0,0,0|2,0,0]=3 2930 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [1,0,0,0,0,0|2,0,0]=3 2931 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [1,0,0,0,0,0|2,0,0]=3 2932 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [1,0,0,0,0,0|3,0,0]=4 2933 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [1,0,0,0,0,0|2,0,1]=4 2934 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [1,0,0,0,0,0|2,0,1]=4 2935 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,0,0,0,0,0|1,0,1]=3 2936 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,0,0,0,0,0|1,0,1]=3 2937 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [0,1,0,0,0,0|1,0,1]=3 2938 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [0,1,0,0,0,0|1,0,1]=3 2939 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [0,1,0,0,0,0|1,0,1]=3 2940 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [0,1,0,0,0,0|1,0,1]=3 2941 B11R0.3 C#CCCCCCCCNCC 2230a_100015525214_100153394163 [0,1,0,0,0,0|1,0,1]=3 2942 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [0,1,0,0,0,0|1,0,1]=3 2943 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [0,1,0,0,0,0|1,0,1]=3 2944 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [0,1,0,0,0,0|1,0,1]=3 2945 B11R0.3 C#CCCCCCCCOCF 34a_100000054614_100015361967 [0,1,0,0,0,0|2,0,1]=4 2946 B11R0.3 C#CCCCCCCCOCF 7a_100000054614_100015361967 [0,1,0,0,0,0|2,0,1]=4 2947 B11R0.3 C#CCCCCCCCSCC 62a_100000210202_100153394163 [0,1,0,0,0,0|1,0,1]=3 2948 B11R0.3 C#CCCCCCCCSCC 62a_100153394163_100000210202 [0,1,0,0,0,0|1,0,1]=3 2949 B11R0.3 C#CCCCCCCCSCF 62a_100015361967_100153394163 [0,1,0,0,0,0|2,0,1]=4 2950 B11R0.3 C#CCCCCCCCSCF 62a_100153394163_100015361967 [0,1,0,0,0,0|2,0,1]=4 2951 B11R0.3 C#CCCCCCCNCC=C 2230a_100020586998_100012276617 [0,1,0,0,0,0|1,0,2]=4 2952 B11R0.3 C#CCCCCCCNCCF 34a_100000724931_100012276617 [0,1,0,0,0,0|2,0,1]=4 2953 B11R0.3 C#CCCCCCCNCCO 2230a_100016997473_100012276617 [0,1,0,0,0,0|2,0,1]=4 2954 B11R0.3 C#CCCCCCCNCCO 34a_100016990907_100012276617 [0,1,0,0,0,0|2,0,1]=4 2955 B11R0.3 C#CCCCCCCOCC=C 34a_100011217361_100015514636 [0,1,0,0,0,0|1,0,2]=4 2956 B11R0.3 C#CCCCCCCOCC=C 34a_200000210373_100012276617 [0,1,0,0,0,0|1,0,2]=4 2957 B11R0.3 C#CCCCCCCOCC=C 7a_100011217361_100015514636 [0,1,0,0,0,0|1,0,2]=4 2958 B11R0.3 C#CCCCCCCOCC=O 34a_100011217361_200009817547 [0,1,0,0,0,0|0,0,2]=3 2959 B11R0.3 C#CCCCCCCOCC=O 7a_100011217361_200015260668 [0,1,0,0,0,0|0,0,2]=3 2960 B11R0.3 C#CCCCCCCOCCBr 34a_100000211926_100012276617 [0,1,0,0,0,0|2,0,1]=4 2961 B11R0.3 C#CCCCCCCOCCC 34a_100000210258_100012276617 [0,1,0,0,0,0|1,0,1]=3 2962 B11R0.3 C#CCCCCCCOCCC 34a_100011217361_100000210303 [0,1,0,0,0,0|1,0,1]=3 2963 B11R0.3 C#CCCCCCCOCCC 7a_100011217361_100000210303 [0,1,0,0,0,0|1,0,1]=3 2964 B11R0.3 C#CCCCCCCOCCF 34a_100011217361_100011217306 [0,1,0,0,0,0|2,0,1]=4 2965 B11R0.3 C#CCCCCCCOCCF 7a_100011217361_100011217306 [0,1,0,0,0,0|2,0,1]=4 2966 B11R0.3 C#CCCCCCCOCCN 34a_100000210304_100012276617 [0,1,0,0,0,0|2,0,1]=4 2967 B11R0.3 C#CCCCCCCOCCO 34a_100011217361_100000211926 [0,1,0,0,0,0|2,0,1]=4 2968 B11R0.3 C#CCCCCCCOCCO 7a_100011217361_100000211926 [0,1,0,0,0,0|2,0,1]=4 2969 B11R0.3 C#CCCCCCCOCSC 34a_100011217361_100011218213 [0,1,0,0,0,0|2,0,1]=4 2970 B11R0.3 C#CCCCCCCSCC=C 62a_100000210623_100012276617 [0,1,0,0,0,0|1,0,2]=4 2971 B11R0.3 C#CCCCCCCSCC=C 62a_100012276617_100000210623 [0,1,0,0,0,0|1,0,2]=4 2972 B11R0.3 C#CCCCCCCSCC=O 62a_100012276617_200015260668 [0,1,0,0,0,0|0,0,2]=3 2973 B11R0.3 C#CCCCCCCSCC=O 62a_200015260668_100012276617 [0,1,0,0,0,0|0,0,2]=3 2974 B11R0.3 C#CCCCCCCSCCC 62a_100000210303_100012276617 [0,1,0,0,0,0|1,0,1]=3 2975 B11R0.3 C#CCCCCCCSCCC 62a_100012276617_100000210303 [0,1,0,0,0,0|1,0,1]=3 2976 B11R0.3 C#CCCCCCCSCCF 62a_100011217306_100012276617 [0,1,0,0,0,0|2,0,1]=4 2977 B11R0.3 C#CCCCCCCSCCF 62a_100012276617_100011217306 [0,1,0,0,0,0|2,0,1]=4 2978 B11R0.3 C#CCCCCCCSCCO 62a_100000211926_100012276617 [0,1,0,0,0,0|2,0,1]=4 2979 B11R0.3 C#CCCCCCCSCCO 62a_100012276617_100000211926 [0,1,0,0,0,0|2,0,1]=4 2980 B11R0.3 C#CCCCCCCSCOC 62a_100000766300_100012276617 [0,1,0,0,0,0|2,0,1]=4 2981 B11R0.3 C#CCCCCCCSCOC 62a_100012276617_100000766300 [0,1,0,0,0,0|2,0,1]=4 2982 B11R0.3 C#CCCCCCCSCSC 62a_100011218213_100012276617 [0,1,0,0,0,0|2,0,1]=4 2983 B11R0.3 C#CCCCCCCSCSC 62a_100012276617_100011218213 [0,1,0,0,0,0|2,0,1]=4 2984 B11R0.3 C#CCCCCCNCCC=C 2230a_100015191253_100012094781 [0,1,0,0,0,0|1,0,2]=4 2985 B11R0.3 C#CCCCCCNCCCC 2230a_100000102301_100012094781 [0,1,0,0,0,0|1,0,1]=3 2986 B11R0.3 C#CCCCCCNCCCC 7a_106832991798_100012094781 [0,1,0,0,0,0|1,0,1]=3 2987 B11R0.3 C#CCCCCCNCCCF 2230a_100015189416_100012094781 [0,1,0,0,0,0|2,0,1]=4 2988 B11R0.3 C#CCCCCCNCCCF 34a_100015189416_100012094781 [0,1,0,0,0,0|2,0,1]=4 2989 B11R0.3 C#CCCCCCNCCOC 2230a_100000209980_100012094781 [0,1,0,0,0,0|2,0,1]=4 2990 B11R0.3 C#CCCCCCNCCSC 2230a_100020590264_100012094781 [0,1,0,0,0,0|2,0,1]=4 2991 B11R0.3 C#CCCCCCOCCC=C 34a_100000766912_100000754431 [0,1,0,0,0,0|1,0,2]=4 2992 B11R0.3 C#CCCCCCOCCC=C 34a_100011205117_100012094781 [0,1,0,0,0,0|1,0,2]=4 2993 B11R0.3 C#CCCCCCOCCC=C 7a_100000766912_100000754431 [0,1,0,0,0,0|1,0,2]=4 2994 B11R0.3 C#CCCCCCOCCCBr 34a_100011217188_100012094781 [0,1,0,0,0,0|2,0,1]=4 2995 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [0,1,0,0,0,0|1,0,1]=3 2996 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [0,1,0,0,0,0|1,0,1]=3 2997 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [0,1,0,0,0,0|1,0,1]=3 2998 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [0,1,0,0,0,0|1,0,1]=3 2999 B11R0.3 C#CCCCCCOCCCCl 34a_100000230001_100012094781 [0,1,0,0,0,0|2,0,1]=4 3000 B11R0.3 C#CCCCCCOCCCF 34a_100000759539_100012094781 [0,1,0,0,0,0|2,0,1]=4 3001 B11R0.3 C#CCCCCCOCCCF 34a_100000766912_100011934791 [0,1,0,0,0,0|2,0,1]=4 3002 B11R0.3 C#CCCCCCOCCCF 7a_100000766912_100011934791 [0,1,0,0,0,0|2,0,1]=4 3003 B11R0.3 C#CCCCCCOCCCN 34a_100000182051_100012094781 [0,1,0,0,0,0|2,0,1]=4 3004 B11R0.3 C#CCCCCCOCCCO 34a_100000766912_100000230001 [0,1,0,0,0,0|2,0,1]=4 3005 B11R0.3 C#CCCCCCOCCCO 7a_100000766912_100011215043 [0,1,0,0,0,0|2,0,1]=4 3006 B11R0.3 C#CCCCCCOCCOC 34a_100000210237_100012094781 [0,1,0,0,0,0|2,0,1]=4 3007 B11R0.3 C#CCCCCCOCCOC 34a_100000766912_100011201679 [0,1,0,0,0,0|2,0,1]=4 3008 B11R0.3 C#CCCCCCOCCOC 7a_100000766912_100000233755 [0,1,0,0,0,0|2,0,1]=4 3009 B11R0.3 C#CCCCCCOCCSC 34a_100000230434_100012094781 [0,1,0,0,0,0|2,0,1]=4 3010 B11R0.3 C#CCCCCCOCCSC 34a_100000766912_100000212216 [0,1,0,0,0,0|2,0,1]=4 3011 B11R0.3 C#CCCCCCOCCSC 7a_100000230434_100012094781 [0,1,0,0,0,0|2,0,1]=4 3012 B11R0.3 C#CCCCCCOCCSC 7a_100000766912_100000212216 [0,1,0,0,0,0|2,0,1]=4 3013 B11R0.3 C#CCCCCCSCCC=C 62a_100000754431_100012094781 [0,1,0,0,0,0|1,0,2]=4 3014 B11R0.3 C#CCCCCCSCCC=C 62a_100012094781_100000754431 [0,1,0,0,0,0|1,0,2]=4 3015 B11R0.3 C#CCCCCCSCCCC 62a_100000210211_100012094781 [0,1,0,0,0,0|1,0,1]=3 3016 B11R0.3 C#CCCCCCSCCCC 62a_100012094781_100000210210 [0,1,0,0,0,0|1,0,1]=3 3017 B11R0.3 C#CCCCCCSCCCF 62a_100011934791_100012094781 [0,1,0,0,0,0|2,0,1]=4 3018 B11R0.3 C#CCCCCCSCCCF 62a_100012094781_100011934791 [0,1,0,0,0,0|2,0,1]=4 3019 B11R0.3 C#CCCCCCSCCCO 62a_100011215043_100012094781 [0,1,0,0,0,0|2,0,1]=4 3020 B11R0.3 C#CCCCCCSCCCO 62a_100012094781_100011215043 [0,1,0,0,0,0|2,0,1]=4 3021 B11R0.3 C#CCCCCCSCCOC 62a_100000233755_100012094781 [0,1,0,0,0,0|2,0,1]=4 3022 B11R0.3 C#CCCCCCSCCOC 62a_100012094781_100000233755 [0,1,0,0,0,0|2,0,1]=4 3023 B11R0.3 C#CCCCCCSCCSC 62a_100000212216_100012094781 [0,1,0,0,0,0|2,0,1]=4 3024 B11R0.3 C#CCCCCCSCCSC 62a_100012094781_100000751147 [0,1,0,0,0,0|2,0,1]=4 3025 B11R0.3 C#CCCCCCSCOCC 62a_100000739092_100012094781 [0,1,0,0,0,0|2,0,1]=4 3026 B11R0.3 C#CCCCCCSCOCC 62a_100012094781_100000739092 [0,1,0,0,0,0|2,0,1]=4 3027 B11R0.3 C#CCCCCNCCCC=C 2230a_100000700776_100010269958 [0,1,0,0,0,0|1,0,2]=4 3028 B11R0.3 C#CCCCCNCCCC=C 2230a_100000706060_100011713584 [0,1,0,0,0,0|1,0,2]=4 3029 B11R0.3 C#CCCCCNCCCC=C 34a_100000700776_100010269958 [0,1,0,0,0,0|1,0,2]=4 3030 B11R0.3 C#CCCCCNCCCC=C 34a_100000706060_100000757094 [0,1,0,0,0,0|1,0,2]=4 3031 B11R0.3 C#CCCCCNCCCC=O 2230a_100000706060_200011292268 [0,1,0,0,0,0|0,0,2]=3 3032 B11R0.3 C#CCCCCNCCCCC 2230a_100000209983_100010269958 [0,1,0,0,0,0|1,0,1]=3 3033 B11R0.3 C#CCCCCNCCCCC 2230a_100000706060_100000210326 [0,1,0,0,0,0|1,0,1]=3 3034 B11R0.3 C#CCCCCNCCCCC 34a_100000706060_100000718602 [0,1,0,0,0,0|1,0,1]=3 3035 B11R0.3 C#CCCCCNCCCCF 2230a_100000706060_100000729493 [0,1,0,0,0,0|2,0,1]=4 3036 B11R0.3 C#CCCCCNCCCCF 34a_100000706060_100000729493 [0,1,0,0,0,0|2,0,1]=4 3037 B11R0.3 C#CCCCCNCCCCO 2230a_100000706060_100000210776 [0,1,0,0,0,0|2,0,1]=4 3038 B11R0.3 C#CCCCCNCCCCO 2230a_100000750430_100010269958 [0,1,0,0,0,0|2,0,1]=4 3039 B11R0.3 C#CCCCCNCCCCO 34a_100000706060_100011216708 [0,1,0,0,0,0|2,0,1]=4 3040 B11R0.3 C#CCCCCNCCCCO 34a_100000750430_100010269958 [0,1,0,0,0,0|2,0,1]=4 3041 B11R0.3 C#CCCCCNCCCOC 2230a_100000706060_100000740836 [0,1,0,0,0,0|2,0,1]=4 3042 B11R0.3 C#CCCCCNCCCOC 34a_100000706060_100000740836 [0,1,0,0,0,0|2,0,1]=4 3043 B11R0.3 C#CCCCCNCCCOC 34a_100150723488_100010269958 [0,1,0,0,0,0|2,0,1]=4 3044 B11R0.3 C#CCCCCNCCCSC 2230a_100000749238_100010269958 [0,1,0,0,0,0|2,0,1]=4 3045 B11R0.3 C#CCCCCNCCOCC 2230a_100000706060_100011215890 [0,1,0,0,0,0|2,0,1]=4 3046 B11R0.3 C#CCCCCNCCOCC 2230a_102516460346_100010269958 [0,1,0,0,0,0|2,0,1]=4 3047 B11R0.3 C#CCCCCNCCOCC 34a_100000706060_100000210147 [0,1,0,0,0,0|2,0,1]=4 3048 B11R0.3 C#CCCCCNCCOCC 34a_102516460346_100010269958 [0,1,0,0,0,0|2,0,1]=4 3049 B11R0.3 C#CCCCCNCCSCC 2230a_100000106463_100010269958 [0,1,0,0,0,0|2,0,1]=4 3050 B11R0.3 C#CCCCCNCCSCC 2230a_100000706060_100000757381 [0,1,0,0,0,0|2,0,1]=4 3051 B11R0.3 C#CCCCCNCCSCC 34a_100000706060_100000757381 [0,1,0,0,0,0|2,0,1]=4 3052 B11R0.3 C#CCCCCOCCCC=C 34a_100000758997_100010269958 [0,1,0,0,0,0|1,0,2]=4 3053 B11R0.3 C#CCCCCOCCCC=C 34a_100000766709_100000757094 [0,1,0,0,0,0|1,0,2]=4 3054 B11R0.3 C#CCCCCOCCCC=C 7a_100000758997_100010269958 [0,1,0,0,0,0|1,0,2]=4 3055 B11R0.3 C#CCCCCOCCCC=C 7a_100000766709_100000757094 [0,1,0,0,0,0|1,0,2]=4 3056 B11R0.3 C#CCCCCOCCCC=O 7a_100000766709_200011292268 [0,1,0,0,0,0|0,0,2]=3 3057 B11R0.3 C#CCCCCOCCCCBr 34a_100011216708_100010269958 [0,1,0,0,0,0|2,0,1]=4 3058 B11R0.3 C#CCCCCOCCCCC 34a_100000210253_100010269958 [0,1,0,0,0,0|1,0,1]=3 3059 B11R0.3 C#CCCCCOCCCCC 34a_100000766709_100000718602 [0,1,0,0,0,0|1,0,1]=3 3060 B11R0.3 C#CCCCCOCCCCC 7a_100000210253_100010269958 [0,1,0,0,0,0|1,0,1]=3 3061 B11R0.3 C#CCCCCOCCCCC 7a_100000766709_100000210326 [0,1,0,0,0,0|1,0,1]=3 3062 B11R0.3 C#CCCCCOCCCCCl 34a_100000210776_100010269958 [0,1,0,0,0,0|2,0,1]=4 3063 B11R0.3 C#CCCCCOCCCCCl 7a_100000210776_100010269958 [0,1,0,0,0,0|2,0,1]=4 3064 B11R0.3 C#CCCCCOCCCCF 34a_100000766709_100000729493 [0,1,0,0,0,0|2,0,1]=4 3065 B11R0.3 C#CCCCCOCCCCF 34a_100011995726_100010269958 [0,1,0,0,0,0|2,0,1]=4 3066 B11R0.3 C#CCCCCOCCCCF 7a_100000766709_100000729493 [0,1,0,0,0,0|2,0,1]=4 3067 B11R0.3 C#CCCCCOCCCCF 7a_100011995726_100010269958 [0,1,0,0,0,0|2,0,1]=4 3068 B11R0.3 C#CCCCCOCCCCI 34a_200012148704_100010269958 [0,1,0,0,0,0|2,0,1]=4 3069 B11R0.3 C#CCCCCOCCCCN 34a_100000750430_100010269958 [0,1,0,0,0,0|2,0,1]=4 3070 B11R0.3 C#CCCCCOCCCCO 34a_100000766709_100011216708 [0,1,0,0,0,0|2,0,1]=4 3071 B11R0.3 C#CCCCCOCCCCO 7a_100000766709_100000210776 [0,1,0,0,0,0|2,0,1]=4 3072 B11R0.3 C#CCCCCOCCCNC 34a_100000213112_100010269958 [0,1,0,0,0,0|2,0,1]=4 3073 B11R0.3 C#CCCCCOCCCOC 34a_100000740835_100010269958 [0,1,0,0,0,0|2,0,1]=4 3074 B11R0.3 C#CCCCCOCCCOC 34a_100000766709_100000740836 [0,1,0,0,0,0|2,0,1]=4 3075 B11R0.3 C#CCCCCOCCCOC 7a_100000766709_100000740836 [0,1,0,0,0,0|2,0,1]=4 3076 B11R0.3 C#CCCCCOCCCSC 34a_100000690336_100010269958 [0,1,0,0,0,0|2,0,1]=4 3077 B11R0.3 C#CCCCCOCCCSC 7a_100000690336_100010269958 [0,1,0,0,0,0|2,0,1]=4 3078 B11R0.3 C#CCCCCOCCOCC 34a_100000210136_100010269958 [0,1,0,0,0,0|2,0,1]=4 3079 B11R0.3 C#CCCCCOCCOCC 34a_100000766709_100000210147 [0,1,0,0,0,0|2,0,1]=4 3080 B11R0.3 C#CCCCCOCCOCC 7a_100000210136_100010269958 [0,1,0,0,0,0|2,0,1]=4 3081 B11R0.3 C#CCCCCOCCOCC 7a_100000766709_100011215890 [0,1,0,0,0,0|2,0,1]=4 3082 B11R0.3 C#CCCCCOCCSCC 34a_100000212035_100010269958 [0,1,0,0,0,0|2,0,1]=4 3083 B11R0.3 C#CCCCCOCCSCC 34a_100000766709_100000757381 [0,1,0,0,0,0|2,0,1]=4 3084 B11R0.3 C#CCCCCOCCSCC 7a_100000212035_100010269958 [0,1,0,0,0,0|2,0,1]=4 3085 B11R0.3 C#CCCCCOCCSCC 7a_100000766709_100000757381 [0,1,0,0,0,0|2,0,1]=4 3086 B11R0.3 C#CCCCCSCCCC=C 62a_100010269958_100000757094 [0,1,0,0,0,0|1,0,2]=4 3087 B11R0.3 C#CCCCCSCCCC=C 62a_100011713584_100010269958 [0,1,0,0,0,0|1,0,2]=4 3088 B11R0.3 C#CCCCCSCCCC=O 62a_100010269958_200011292268 [0,1,0,0,0,0|0,0,2]=3 3089 B11R0.3 C#CCCCCSCCCC=O 62a_200011292268_100010269958 [0,1,0,0,0,0|0,0,2]=3 3090 B11R0.3 C#CCCCCSCCCCC 62a_100000210326_100010269958 [0,1,0,0,0,0|1,0,1]=3 3091 B11R0.3 C#CCCCCSCCCCC 62a_100010269958_100000210326 [0,1,0,0,0,0|1,0,1]=3 3092 B11R0.3 C#CCCCCSCCCCF 62a_100000729493_100010269958 [0,1,0,0,0,0|2,0,1]=4 3093 B11R0.3 C#CCCCCSCCCCF 62a_100010269958_100000729493 [0,1,0,0,0,0|2,0,1]=4 3094 B11R0.3 C#CCCCCSCCCCO 62a_100000210776_100010269958 [0,1,0,0,0,0|2,0,1]=4 3095 B11R0.3 C#CCCCCSCCCCO 62a_100010269958_100000210776 [0,1,0,0,0,0|2,0,1]=4 3096 B11R0.3 C#CCCCCSCCCOC 62a_100000709357_100010269958 [0,1,0,0,0,0|2,0,1]=4 3097 B11R0.3 C#CCCCCSCCCOC 62a_100010269958_100000709357 [0,1,0,0,0,0|2,0,1]=4 3098 B11R0.3 C#CCCCCSCCOCC 62a_100000210147_100010269958 [0,1,0,0,0,0|2,0,1]=4 3099 B11R0.3 C#CCCCCSCCOCC 62a_100010269958_100011215890 [0,1,0,0,0,0|2,0,1]=4 3100 B11R0.3 C#CCCCCSCCSCC 62a_100000757381_100010269958 [0,1,0,0,0,0|2,0,1]=4 3101 B11R0.3 C#CCCCCSCCSCC 62a_100010269958_100000757381 [0,1,0,0,0,0|2,0,1]=4 3102 B11R0.3 C#CCCCNCCCCC=C 2230a_100000703577_100000731252 [0,1,0,0,0,0|1,0,2]=4 3103 B11R0.3 C#CCCCNCCCCC=C 34a_100000703577_100000695029 [0,1,0,0,0,0|1,0,2]=4 3104 B11R0.3 C#CCCCNCCCCC=C 34a_100000718082_100011215482 [0,1,0,0,0,0|1,0,2]=4 3105 B11R0.3 C#CCCCNCCCCCC 2230a_100000210581_100000731252 [0,1,0,0,0,0|1,0,1]=3 3106 B11R0.3 C#CCCCNCCCCCC 34a_100000718082_100000210314 [0,1,0,0,0,0|1,0,1]=3 3107 B11R0.3 C#CCCCNCCCCCF 34a_100000718082_100000729378 [0,1,0,0,0,0|2,0,1]=4 3108 B11R0.3 C#CCCCNCCCCCO 2230a_100000762737_100000731252 [0,1,0,0,0,0|2,0,1]=4 3109 B11R0.3 C#CCCCNCCCCCO 34a_100000718082_100000746330 [0,1,0,0,0,0|2,0,1]=4 3110 B11R0.3 C#CCCCNCCCCCO 34a_100000762737_100000695029 [0,1,0,0,0,0|2,0,1]=4 3111 B11R0.3 C#CCCCNCCCCOC 34a_100000718082_100000755781 [0,1,0,0,0,0|2,0,1]=4 3112 B11R0.3 C#CCCCNCCCOCC 2230a_100000210961_100000731252 [0,1,0,0,0,0|2,0,1]=4 3113 B11R0.3 C#CCCCNCCCOCC 34a_100000210961_100000695029 [0,1,0,0,0,0|2,0,1]=4 3114 B11R0.3 C#CCCCNCCCOCC 34a_100000718082_100012232248 [0,1,0,0,0,0|2,0,1]=4 3115 B11R0.3 C#CCCCNCCOCCC 2230a_100161115042_100000731252 [0,1,0,0,0,0|2,0,1]=4 3116 B11R0.3 C#CCCCNCCOCCC 34a_100000718082_100011215938 [0,1,0,0,0,0|2,0,1]=4 3117 B11R0.3 C#CCCCNCCOCCC 34a_100161115042_100000695029 [0,1,0,0,0,0|2,0,1]=4 3118 B11R0.3 C#CCCCNCCSCCC 2230a_100020603323_100000731252 [0,1,0,0,0,0|2,0,1]=4 3119 B11R0.3 C#CCCCNCOCCCC 34a_100000718082_100011995733 [0,1,0,0,0,0|2,0,1]=4 3120 B11R0.3 C#CCCCOCCCCC=C 34a_100000215630_100011215482 [0,1,0,0,0,0|1,0,2]=4 3121 B11R0.3 C#CCCCOCCCCC=C 34a_100000766645_100000695029 [0,1,0,0,0,0|1,0,2]=4 3122 B11R0.3 C#CCCCOCCCCC=C 7a_100000215630_100011215482 [0,1,0,0,0,0|1,0,2]=4 3123 B11R0.3 C#CCCCOCCCCC=C 7a_100000766645_100011215417 [0,1,0,0,0,0|1,0,2]=4 3124 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [0,1,0,0,0,0|0,0,2]=3 3125 B11R0.3 C#CCCCOCCCCCBr 34a_100000746331_100000695029 [0,1,0,0,0,0|2,0,1]=4 3126 B11R0.3 C#CCCCOCCCCCBr 7a_100000746331_100011215417 [0,1,0,0,0,0|2,0,1]=4 3127 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [0,1,0,0,0,0|1,0,1]=3 3128 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [0,1,0,0,0,0|1,0,1]=3 3129 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [0,1,0,0,0,0|1,0,1]=3 3130 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [0,1,0,0,0,0|1,0,1]=3 3131 B11R0.3 C#CCCCOCCCCCCl 34a_100000746330_100000695029 [0,1,0,0,0,0|2,0,1]=4 3132 B11R0.3 C#CCCCOCCCCCCl 7a_100000746330_100011215417 [0,1,0,0,0,0|2,0,1]=4 3133 B11R0.3 C#CCCCOCCCCCF 34a_100000215630_100000729378 [0,1,0,0,0,0|2,0,1]=4 3134 B11R0.3 C#CCCCOCCCCCF 7a_100000215630_100000729378 [0,1,0,0,0,0|2,0,1]=4 3135 B11R0.3 C#CCCCOCCCCCI 34a_200012148887_100000695029 [0,1,0,0,0,0|2,0,1]=4 3136 B11R0.3 C#CCCCOCCCCCI 7a_200012148887_100011215417 [0,1,0,0,0,0|2,0,1]=4 3137 B11R0.3 C#CCCCOCCCCCN 34a_100000762737_100000695029 [0,1,0,0,0,0|2,0,1]=4 3138 B11R0.3 C#CCCCOCCCCCO 34a_100000215630_100000746330 [0,1,0,0,0,0|2,0,1]=4 3139 B11R0.3 C#CCCCOCCCCCO 7a_100000215630_100000746330 [0,1,0,0,0,0|2,0,1]=4 3140 B11R0.3 C#CCCCOCCCCOC 34a_100000215630_100000755781 [0,1,0,0,0,0|2,0,1]=4 3141 B11R0.3 C#CCCCOCCCCOC 34a_100000740925_100000695029 [0,1,0,0,0,0|2,0,1]=4 3142 B11R0.3 C#CCCCOCCCCOC 7a_100000215630_100000730899 [0,1,0,0,0,0|2,0,1]=4 3143 B11R0.3 C#CCCCOCCCCSC 34a_100011217163_100000695029 [0,1,0,0,0,0|2,0,1]=4 3144 B11R0.3 C#CCCCOCCCCSC 7a_100011217163_100011215417 [0,1,0,0,0,0|2,0,1]=4 3145 B11R0.3 C#CCCCOCCCOCC 34a_100000215630_100012232248 [0,1,0,0,0,0|2,0,1]=4 3146 B11R0.3 C#CCCCOCCCOCC 34a_100000757476_100000695029 [0,1,0,0,0,0|2,0,1]=4 3147 B11R0.3 C#CCCCOCCCOCC 7a_100000215630_100012232248 [0,1,0,0,0,0|2,0,1]=4 3148 B11R0.3 C#CCCCOCCCOCC 7a_100000757476_100011215417 [0,1,0,0,0,0|2,0,1]=4 3149 B11R0.3 C#CCCCOCCCSCC 34a_100011216438_100000695029 [0,1,0,0,0,0|2,0,1]=4 3150 B11R0.3 C#CCCCOCCCSCC 7a_100011216438_100011215417 [0,1,0,0,0,0|2,0,1]=4 3151 B11R0.3 C#CCCCOCCOCCC 34a_100000215630_100011215938 [0,1,0,0,0,0|2,0,1]=4 3152 B11R0.3 C#CCCCOCCOCCC 34a_100000752267_100000695029 [0,1,0,0,0,0|2,0,1]=4 3153 B11R0.3 C#CCCCOCCOCCC 7a_100000215630_100011215938 [0,1,0,0,0,0|2,0,1]=4 3154 B11R0.3 C#CCCCOCCOCCC 7a_100000752267_100011215417 [0,1,0,0,0,0|2,0,1]=4 3155 B11R0.3 C#CCCCOCCSCCC 34a_200000230433_100000695029 [0,1,0,0,0,0|2,0,1]=4 3156 B11R0.3 C#CCCCOCCSCCC 7a_200000230433_100011215417 [0,1,0,0,0,0|2,0,1]=4 3157 B11R0.3 C#CCCCOCOCCCC 34a_100000215630_100011995733 [0,1,0,0,0,0|2,0,1]=4 3158 B11R0.3 C#CCCCSCCCCC=C 62a_100011215417_100011215482 [0,1,0,0,0,0|1,0,2]=4 3159 B11R0.3 C#CCCCSCCCCC=C 62a_100011215482_100011215417 [0,1,0,0,0,0|1,0,2]=4 3160 B11R0.3 C#CCCCSCCCCC=O 62a_100000139335_100011215417 [0,1,0,0,0,0|0,0,2]=3 3161 B11R0.3 C#CCCCSCCCCC=O 62a_100011215417_100000139335 [0,1,0,0,0,0|0,0,2]=3 3162 B11R0.3 C#CCCCSCCCCCC 62a_100000210314_100011215417 [0,1,0,0,0,0|1,0,1]=3 3163 B11R0.3 C#CCCCSCCCCCC 62a_100011215417_100000210757 [0,1,0,0,0,0|1,0,1]=3 3164 B11R0.3 C#CCCCSCCCCCF 62a_100000729378_100011215417 [0,1,0,0,0,0|2,0,1]=4 3165 B11R0.3 C#CCCCSCCCCCF 62a_100011215417_100000729378 [0,1,0,0,0,0|2,0,1]=4 3166 B11R0.3 C#CCCCSCCCCCO 62a_100000746330_100011215417 [0,1,0,0,0,0|2,0,1]=4 3167 B11R0.3 C#CCCCSCCCCCO 62a_100011215417_100000746330 [0,1,0,0,0,0|2,0,1]=4 3168 B11R0.3 C#CCCCSCCCCOC 62a_100000730899_100011215417 [0,1,0,0,0,0|2,0,1]=4 3169 B11R0.3 C#CCCCSCCCCOC 62a_100011215417_100000730899 [0,1,0,0,0,0|2,0,1]=4 3170 B11R0.3 C#CCCCSCCCOCC 62a_100011215417_100012232248 [0,1,0,0,0,0|2,0,1]=4 3171 B11R0.3 C#CCCCSCCCOCC 62a_100012232248_100011215417 [0,1,0,0,0,0|2,0,1]=4 3172 B11R0.3 C#CCCCSCCOCCC 62a_100011215417_100011215938 [0,1,0,0,0,0|2,0,1]=4 3173 B11R0.3 C#CCCCSCCOCCC 62a_100011215938_100011215417 [0,1,0,0,0,0|2,0,1]=4 3174 B11R0.3 C#CCCCSCOCCCC 62a_100011215417_100011995733 [0,1,0,0,0,0|2,0,1]=4 3175 B11R0.3 C#CCCCSCOCCCC 62a_100011995733_100011215417 [0,1,0,0,0,0|2,0,1]=4 3176 B11R0.3 C#CCCNCCCCCC=C 34a_100000755551_100000700193 [0,1,0,0,0,0|1,0,2]=4 3177 B11R0.3 C#CCCNCCCCCCC 2230a_100000229938_100000688953 [0,1,0,0,0,0|1,0,1]=3 3178 B11R0.3 C#CCCNCCCCCCC 34a_100000755551_100000210614 [0,1,0,0,0,0|1,0,1]=3 3179 B11R0.3 C#CCCNCCCCCCF 34a_100000755551_100015922095 [0,1,0,0,0,0|2,0,1]=4 3180 B11R0.3 C#CCCNCCCCCCO 2230a_100000686447_100000688953 [0,1,0,0,0,0|2,0,1]=4 3181 B11R0.3 C#CCCNCCCCCCO 34a_100000686447_100000688953 [0,1,0,0,0,0|2,0,1]=4 3182 B11R0.3 C#CCCNCCCCCCO 34a_100000755551_100000766143 [0,1,0,0,0,0|2,0,1]=4 3183 B11R0.3 C#CCCNCCCCCOC 2230a_100000747528_100000688953 [0,1,0,0,0,0|2,0,1]=4 3184 B11R0.3 C#CCCNCCCCCOC 34a_100000747528_100000688953 [0,1,0,0,0,0|2,0,1]=4 3185 B11R0.3 C#CCCNCCCOCCC 2230a_100011217757_100000688953 [0,1,0,0,0,0|2,0,1]=4 3186 B11R0.3 C#CCCNCCCOCCC 34a_100011217757_100000688953 [0,1,0,0,0,0|2,0,1]=4 3187 B11R0.3 C#CCCNCCOCCCC 34a_100000755551_100000743108 [0,1,0,0,0,0|2,0,1]=4 3188 B11R0.3 C#CCCNCCSCCCC 2230a_100025743550_100000688953 [0,1,0,0,0,0|2,0,1]=4 3189 B11R0.3 C#CCCOCCCCCC=C 34a_100011215631_100000700193 [0,1,0,0,0,0|1,0,2]=4 3190 B11R0.3 C#CCCOCCCCCC=C 34a_100011216702_100000688953 [0,1,0,0,0,0|1,0,2]=4 3191 B11R0.3 C#CCCOCCCCCC=C 7a_100011216702_100000688953 [0,1,0,0,0,0|1,0,2]=4 3192 B11R0.3 C#CCCOCCCCCCBr 34a_100011215345_100000688953 [0,1,0,0,0,0|2,0,1]=4 3193 B11R0.3 C#CCCOCCCCCCBr 7a_100011215345_100000688953 [0,1,0,0,0,0|2,0,1]=4 3194 B11R0.3 C#CCCOCCCCCCC 34a_100000210272_100000688953 [0,1,0,0,0,0|1,0,1]=3 3195 B11R0.3 C#CCCOCCCCCCC 34a_100011215631_100000210614 [0,1,0,0,0,0|1,0,1]=3 3196 B11R0.3 C#CCCOCCCCCCC 7a_100000210272_100000688953 [0,1,0,0,0,0|1,0,1]=3 3197 B11R0.3 C#CCCOCCCCCCCl 34a_100000766143_100000688953 [0,1,0,0,0,0|2,0,1]=4 3198 B11R0.3 C#CCCOCCCCCCCl 7a_100000766143_100000688953 [0,1,0,0,0,0|2,0,1]=4 3199 B11R0.3 C#CCCOCCCCCCF 34a_100000732779_100000688953 [0,1,0,0,0,0|2,0,1]=4 3200 B11R0.3 C#CCCOCCCCCCF 34a_100011215631_100015922095 [0,1,0,0,0,0|2,0,1]=4 3201 B11R0.3 C#CCCOCCCCCCF 7a_100000732779_100000688953 [0,1,0,0,0,0|2,0,1]=4 3202 B11R0.3 C#CCCOCCCCCCN 34a_100000686447_100000688953 [0,1,0,0,0,0|2,0,1]=4 3203 B11R0.3 C#CCCOCCCCCCO 34a_100011215631_100000766143 [0,1,0,0,0,0|2,0,1]=4 3204 B11R0.3 C#CCCOCCCCCNC 34a_100000722520_100000688953 [0,1,0,0,0,0|2,0,1]=4 3205 B11R0.3 C#CCCOCCOCCCC 34a_100000210238_100000688953 [0,1,0,0,0,0|2,0,1]=4 3206 B11R0.3 C#CCCOCCOCCCC 34a_100011215631_100000743108 [0,1,0,0,0,0|2,0,1]=4 3207 B11R0.3 C#CCCOCCOCCCC 7a_100000210238_100000688953 [0,1,0,0,0,0|2,0,1]=4 3208 B11R0.3 C#CCCOCCSCCCC 34a_200000230436_100000688953 [0,1,0,0,0,0|2,0,1]=4 3209 B11R0.3 C#CCCOCCSCCCC 7a_200000230436_100000688953 [0,1,0,0,0,0|2,0,1]=4 3210 B11R0.3 C#CCCSCCCCCC=C 62a_100000688953_100000700193 [0,1,0,0,0,0|1,0,2]=4 3211 B11R0.3 C#CCCSCCCCCC=C 62a_100000700193_100000688953 [0,1,0,0,0,0|1,0,2]=4 3212 B11R0.3 C#CCCSCCCCCC=O 62a_100000139337_100000688953 [0,1,0,0,0,0|0,0,2]=3 3213 B11R0.3 C#CCCSCCCCCC=O 62a_100000688953_100000139337 [0,1,0,0,0,0|0,0,2]=3 3214 B11R0.3 C#CCCSCCCCCCC 62a_100000210614_100000688953 [0,1,0,0,0,0|1,0,1]=3 3215 B11R0.3 C#CCCSCCCCCCC 62a_100000688953_100000210316 [0,1,0,0,0,0|1,0,1]=3 3216 B11R0.3 C#CCCSCCCCCCF 62a_100000688953_100015922095 [0,1,0,0,0,0|2,0,1]=4 3217 B11R0.3 C#CCCSCCCCCCF 62a_100015922095_100000688953 [0,1,0,0,0,0|2,0,1]=4 3218 B11R0.3 C#CCCSCCCCCCO 62a_100000688953_100000766143 [0,1,0,0,0,0|2,0,1]=4 3219 B11R0.3 C#CCCSCCCCCCO 62a_100000766143_100000688953 [0,1,0,0,0,0|2,0,1]=4 3220 B11R0.3 C#CCCSCCOCCCC 62a_100000688953_100000743108 [0,1,0,0,0,0|2,0,1]=4 3221 B11R0.3 C#CCCSCCOCCCC 62a_100000743108_100000688953 [0,1,0,0,0,0|2,0,1]=4 3222 B11R0.3 C#CCNCCCCCCC=C 34a_100000212058_100011215473 [0,1,0,0,0,0|1,0,2]=4 3223 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [0,1,0,0,0,0|1,0,1]=3 3224 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [0,1,0,0,0,0|1,0,1]=3 3225 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [0,1,0,0,0,0|1,0,1]=3 3226 B11R0.3 C#CCNCCCCCCCO 2230a_100011996573_100000038162 [0,1,0,0,0,0|2,0,1]=4 3227 B11R0.3 C#CCNCCCCCCCO 34a_100000212058_100000760002 [0,1,0,0,0,0|2,0,1]=4 3228 B11R0.3 C#CCNCCCCCCCO 34a_100011996573_100000184674 [0,1,0,0,0,0|2,0,1]=4 3229 B11R0.3 C#CCNCCCCCCOC 34a_100000212058_100011998445 [0,1,0,0,0,0|2,0,1]=4 3230 B11R0.3 C#CCNCCCOCCCC 2230a_200000211371_100000038162 [0,1,0,0,0,0|2,0,1]=4 3231 B11R0.3 C#CCNCCCOCCCC 34a_200000211371_100000184674 [0,1,0,0,0,0|2,0,1]=4 3232 B11R0.3 C#CCOCCCCCCC=C 34a_100000210247_100011215473 [0,1,0,0,0,0|1,0,2]=4 3233 B11R0.3 C#CCOCCCCCCC=C 34a_200011216477_100000184674 [0,1,0,0,0,0|1,0,2]=4 3234 B11R0.3 C#CCOCCCCCCC=C 7a_200011216477_100000038162 [0,1,0,0,0,0|1,0,2]=4 3235 B11R0.3 C#CCOCCCCCCCBr 34a_100000760002_100000184674 [0,1,0,0,0,0|2,0,1]=4 3236 B11R0.3 C#CCOCCCCCCCBr 7a_100000760002_100000038162 [0,1,0,0,0,0|2,0,1]=4 3237 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [0,1,0,0,0,0|1,0,1]=3 3238 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [0,1,0,0,0,0|1,0,1]=3 3239 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [0,1,0,0,0,0|1,0,1]=3 3240 B11R0.3 C#CCOCCCCCCCN 34a_100011996573_100000184674 [0,1,0,0,0,0|2,0,1]=4 3241 B11R0.3 C#CCOCCCCCCCO 34a_100000210247_100000760002 [0,1,0,0,0,0|2,0,1]=4 3242 B11R0.3 C#CCOCCCCCCOC 34a_100000210247_100011998445 [0,1,0,0,0,0|2,0,1]=4 3243 B11R0.3 C#CCOCCCCCCOC 34a_200011021349_200000210301 [0,1,0,0,0,0|2,0,1]=4 3244 B11R0.3 C#CCOCCCCCCOC 34a_200012092642_100000184674 [0,1,0,0,0,0|2,0,1]=4 3245 B11R0.3 C#CCOCCCCCCOC 7a_200011021349_200000210301 [0,1,0,0,0,0|2,0,1]=4 3246 B11R0.3 C#CCOCCCCCCOC 7a_200012092642_100000038162 [0,1,0,0,0,0|2,0,1]=4 3247 B11R0.3 C#CCOCCCCCCO[13CH3] 34a_200011021349_200025704644 [0,1,0,0,0,0|2,0,1]=4 3248 B11R0.3 C#CCOCCCCCCO[13CH3] 7a_200011021349_200025704644 [0,1,0,0,0,0|2,0,1]=4 3249 B11R0.3 C#CCOCCCOCCCC 34a_200011215613_100000184674 [0,1,0,0,0,0|2,0,1]=4 3250 B11R0.3 C#CCOCCCOCCCC 7a_200011215613_100000038162 [0,1,0,0,0,0|2,0,1]=4 3251 B11R0.3 C#CCOCCNCCCC=O 2230a_100000700922_200011292268 [0,1,0,0,0,0|1,0,2]=4 3252 B11R0.3 C#CCOCCNCCCCC 2230a_100000209983_100010402529 [0,1,0,0,0,0|2,0,1]=4 3253 B11R0.3 C#CCOCCNCCCCC 2230a_100000700922_100000210326 [0,1,0,0,0,0|2,0,1]=4 3254 B11R0.3 C#CCOCCNCCCCC 34a_100000224656_100000184674 [0,1,0,0,0,0|2,0,1]=4 3255 B11R0.3 C#CCOCCNCCCCC 34a_100000700922_100000718602 [0,1,0,0,0,0|2,0,1]=4 3256 B11R0.3 C#CCOCCOCCCC=O 7a_100000054580_200011292268 [0,1,0,0,0,0|1,0,2]=4 3257 B11R0.3 C#CCOCCOCCCCC 34a_100000054580_100000718602 [0,1,0,0,0,0|2,0,1]=4 3258 B11R0.3 C#CCOCCOCCCCC 34a_100000210253_100010402529 [0,1,0,0,0,0|2,0,1]=4 3259 B11R0.3 C#CCOCCOCCCCC 34a_100011215259_100000184674 [0,1,0,0,0,0|2,0,1]=4 3260 B11R0.3 C#CCOCCOCCCCC 7a_100000054580_100000210326 [0,1,0,0,0,0|2,0,1]=4 3261 B11R0.3 C#CCOCCOCCCCC 7a_100000210253_100010402529 [0,1,0,0,0,0|2,0,1]=4 3262 B11R0.3 C#CCOCCOCCCCC 7a_100011215259_100000038162 [0,1,0,0,0,0|2,0,1]=4 3263 B11R0.3 C#CCOCCSCCCC=O 62a_100010402529_200011292268 [0,1,0,0,0,0|1,0,2]=4 3264 B11R0.3 C#CCOCCSCCCC=O 62a_200011292268_100010402529 [0,1,0,0,0,0|1,0,2]=4 3265 B11R0.3 C#CCOCCSCCCCC 62a_100000210326_100010402529 [0,1,0,0,0,0|2,0,1]=4 3266 B11R0.3 C#CCOCCSCCCCC 62a_100010402529_100000210326 [0,1,0,0,0,0|2,0,1]=4 3267 B11R0.3 C#CCSCCCCCCC=C 62a_100000038162_100011215473 [0,1,0,0,0,0|1,0,2]=4 3268 B11R0.3 C#CCSCCCCCCCC 62a_100000038162_100000210317 [0,1,0,0,0,0|1,0,1]=3 3269 B11R0.3 C#CCSCCCCCCCO 62a_100000038162_100000760002 [0,1,0,0,0,0|2,0,1]=4 3270 B11R0.3 C#CCSCCCCCCOC 62a_100000038162_100011998445 [0,1,0,0,0,0|2,0,1]=4 3271 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [0,1,0,0,0,0|1,0,1]=3 3272 B11R0.3 C/C=C/CCOCCCCCF 34a_100016278192_100000729378 [0,1,0,0,0,0|2,0,1]=4 3273 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [0,1,0,0,0,0|2,0,1]=4 3274 B11R0.3 C/C=C/CCOCCCCOC 34a_100016278192_100000755781 [0,1,0,0,0,0|2,0,1]=4 3275 B11R0.3 C/C=C/CCOCCCOCC 34a_100016278192_100012232248 [0,1,0,0,0,0|2,0,1]=4 3276 B11R0.3 C/C=C/CCOCCOCCC 34a_100016278192_100011215938 [0,1,0,0,0,0|2,0,1]=4 3277 B11R0.3 C/C=C/CCOCOCCCC 34a_100016278192_100011995733 [0,1,0,0,0,0|2,0,1]=4 3278 B11R0.3 C/C=C/CNCCCCCCO 34a_100000686447_100102629194 [0,1,0,0,0,0|2,0,1]=4 3279 B11R0.3 C/C=C/CNCCCCCOC 34a_100000747528_100102629194 [0,1,0,0,0,0|2,0,1]=4 3280 B11R0.3 C/C=C/CNCCCOCCC 34a_100011217757_100102629194 [0,1,0,0,0,0|2,0,1]=4 3281 B11R0.3 C/C=C/COCCCCCCBr 34a_100011215345_100102629194 [0,1,0,0,0,0|2,0,1]=4 3282 B11R0.3 C/C=C/COCCCCCCBr 7a_100011215345_100102629194 [0,1,0,0,0,0|2,0,1]=4 3283 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [0,1,0,0,0,0|1,0,1]=3 3284 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [0,1,0,0,0,0|1,0,1]=3 3285 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [0,1,0,0,0,0|1,0,1]=3 3286 B11R0.3 C/C=C/COCCCCCCCl 34a_100000766143_100102629194 [0,1,0,0,0,0|2,0,1]=4 3287 B11R0.3 C/C=C/COCCCCCCCl 7a_100000766143_100102629194 [0,1,0,0,0,0|2,0,1]=4 3288 B11R0.3 C/C=C/COCCCCCCF 34a_100000732779_100102629194 [0,1,0,0,0,0|2,0,1]=4 3289 B11R0.3 C/C=C/COCCCCCCF 34a_100016270725_100015922095 [0,1,0,0,0,0|2,0,1]=4 3290 B11R0.3 C/C=C/COCCCCCCF 7a_100000732779_100102629194 [0,1,0,0,0,0|2,0,1]=4 3291 B11R0.3 C/C=C/COCCCCCCN 34a_100000686447_100102629194 [0,1,0,0,0,0|2,0,1]=4 3292 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [0,1,0,0,0,0|2,0,1]=4 3293 B11R0.3 C/C=C/COCCCCCNC 34a_100000722520_100102629194 [0,1,0,0,0,0|2,0,1]=4 3294 B11R0.3 C/C=C/COCCOCCCC 34a_100000210238_100102629194 [0,1,0,0,0,0|2,0,1]=4 3295 B11R0.3 C/C=C/COCCOCCCC 34a_100016270725_100000743108 [0,1,0,0,0,0|2,0,1]=4 3296 B11R0.3 C/C=C/COCCOCCCC 7a_100000210238_100102629194 [0,1,0,0,0,0|2,0,1]=4 3297 B11R0.3 C/C=C/COCCSCCCC 34a_200000230436_100102629194 [0,1,0,0,0,0|2,0,1]=4 3298 B11R0.3 C/C=C/COCCSCCCC 7a_200000230436_100102629194 [0,1,0,0,0,0|2,0,1]=4 3299 B11R0.3 C/C=C/CSCCCCCC=O 62a_100000139337_100102629194 [0,1,0,0,0,0|0,0,2]=3 3300 B11R0.3 C/C=C/CSCCCCCC=O 62a_100102629194_100000139337 [0,1,0,0,0,0|0,0,2]=3 3301 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [0,1,0,0,0,0|1,0,1]=3 3302 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [0,1,0,0,0,0|1,0,1]=3 3303 B11R0.3 C/C=C/CSCCCCCCF 62a_100015922095_100102629194 [0,1,0,0,0,0|2,0,1]=4 3304 B11R0.3 C/C=C/CSCCCCCCF 62a_100102629194_100015922095 [0,1,0,0,0,0|2,0,1]=4 3305 B11R0.3 C/C=C/CSCCCCCCO 62a_100000766143_100102629194 [0,1,0,0,0,0|2,0,1]=4 3306 B11R0.3 C/C=C/CSCCCCCCO 62a_100102629194_100000766143 [0,1,0,0,0,0|2,0,1]=4 3307 B11R0.3 C/C=C/CSCCOCCCC 62a_100000743108_100102629194 [0,1,0,0,0,0|2,0,1]=4 3308 B11R0.3 C/C=C/CSCCOCCCC 62a_100102629194_100000743108 [0,1,0,0,0,0|2,0,1]=4 3309 B11R0.3 C=CCCC/C=C/COCCC 34a_200016268473_100000210303 [0,1,0,0,0,0|1,0,2]=4 3310 B11R0.3 C=CCCC/C=C/COCCC 7a_200016268473_100000210303 [0,1,0,0,0,0|1,0,2]=4 3311 B11R0.3 C=CCCC=NNCCCCC 4a_100000694160_100011216789 [0,1,0,0,0,0|2,0,1]=4 3312 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [0,1,0,0,0,0|1,0,0]=2 3313 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [0,1,0,0,0,0|1,0,0]=2 3314 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [0,1,0,0,0,0|1,0,0]=2 3315 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [0,1,0,0,0,0|1,0,0]=2 3316 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [0,1,0,0,0,0|1,0,0]=2 3317 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [0,1,0,0,0,0|1,0,0]=2 3318 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [0,1,0,0,0,0|1,0,0]=2 3319 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [0,1,0,0,0,0|1,0,0]=2 3320 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [0,1,0,0,0,0|1,0,0]=2 3321 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [0,1,0,0,0,0|1,0,0]=2 3322 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [0,1,0,0,0,0|1,0,0]=2 3323 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [0,1,0,0,0,0|1,0,0]=2 3324 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [0,1,0,0,0,0|1,0,0]=2 3325 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [0,1,0,0,0,0|1,0,0]=2 3326 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [0,1,0,0,0,0|1,0,0]=2 3327 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [0,1,0,0,0,0|1,0,0]=2 3328 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [0,1,0,0,0,0|2,0,0]=3 3329 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [0,1,0,0,0,0|2,0,0]=3 3330 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [0,1,0,0,0,0|1,0,0]=2 3331 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [0,1,0,0,0,0|1,0,0]=2 3332 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [0,1,0,0,0,0|2,0,0]=3 3333 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [0,1,0,0,0,0|2,0,0]=3 3334 B11R0.3 C=CCCCCCCNCC=C 2230a_100020586998_100011215473 [0,1,0,0,0,0|1,0,2]=4 3335 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [0,1,0,0,0,0|2,0,0]=3 3336 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [0,1,0,0,0,0|2,0,0]=3 3337 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [0,1,0,0,0,0|2,0,0]=3 3338 B11R0.3 C=CCCCCCCOCC#N 7a_200011216477_100011215382 [0,1,0,0,0,0|2,0,1]=4 3339 B11R0.3 C=CCCCCCCOCC=C 34a_200000210373_100011215473 [0,1,0,0,0,0|1,0,2]=4 3340 B11R0.3 C=CCCCCCCOCC=C 34a_200011216477_100015514636 [0,1,0,0,0,0|1,0,2]=4 3341 B11R0.3 C=CCCCCCCOCC=C 7a_200011216477_100015514636 [0,1,0,0,0,0|1,0,2]=4 3342 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [0,1,0,0,0,0|0,0,2]=3 3343 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [0,1,0,0,0,0|0,0,2]=3 3344 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [0,1,0,0,0,0|2,0,0]=3 3345 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [0,1,0,0,0,0|1,0,0]=2 3346 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [0,1,0,0,0,0|1,0,0]=2 3347 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [0,1,0,0,0,0|1,0,0]=2 3348 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [0,1,0,0,0,0|2,0,0]=3 3349 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [0,1,0,0,0,0|2,0,0]=3 3350 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [0,1,0,0,0,0|2,0,0]=3 3351 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [0,1,0,0,0,0|2,0,0]=3 3352 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [0,1,0,0,0,0|2,0,0]=3 3353 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [0,1,0,0,0,0|2,0,0]=3 3354 B11R0.3 C=CCCCCCCSCC#N 62a_100011215382_100011215473 [0,1,0,0,0,0|2,0,1]=4 3355 B11R0.3 C=CCCCCCCSCC#N 62a_100011215473_100011215382 [0,1,0,0,0,0|2,0,1]=4 3356 B11R0.3 C=CCCCCCCSCC=C 62a_100000210623_100011215473 [0,1,0,0,0,0|1,0,2]=4 3357 B11R0.3 C=CCCCCCCSCC=C 62a_100011215473_100000210623 [0,1,0,0,0,0|1,0,2]=4 3358 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [0,1,0,0,0,0|0,0,2]=3 3359 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [0,1,0,0,0,0|0,0,2]=3 3360 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [0,1,0,0,0,0|1,0,0]=2 3361 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [0,1,0,0,0,0|1,0,0]=2 3362 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [0,1,0,0,0,0|2,0,0]=3 3363 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [0,1,0,0,0,0|2,0,0]=3 3364 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [0,1,0,0,0,0|2,0,0]=3 3365 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [0,1,0,0,0,0|2,0,0]=3 3366 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [0,1,0,0,0,0|2,0,0]=3 3367 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [0,1,0,0,0,0|2,0,0]=3 3368 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [0,1,0,0,0,0|2,0,0]=3 3369 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [0,1,0,0,0,0|2,0,0]=3 3370 B11R0.3 C=CCCCCCNCC#CC 2230a_100000685387_100000700193 [0,1,0,0,0,0|1,0,2]=4 3371 B11R0.3 C=CCCCCCNCC#CC 34a_100000685387_100000700193 [0,1,0,0,0,0|1,0,2]=4 3372 B11R0.3 C=CCCCCCNCCC=C 2230a_100015191253_100000700193 [0,1,0,0,0,0|1,0,2]=4 3373 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [0,1,0,0,0,0|1,0,0]=2 3374 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [0,1,0,0,0,0|1,0,0]=2 3375 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [0,1,0,0,0,0|2,0,0]=3 3376 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [0,1,0,0,0,0|2,0,0]=3 3377 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [0,1,0,0,0,0|2,0,0]=3 3378 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [0,1,0,0,0,0|2,0,0]=3 3379 B11R0.3 C=CCCCCCOC/C=C/C 34a_100011216702_100102629194 [0,1,0,0,0,0|1,0,2]=4 3380 B11R0.3 C=CCCCCCOC/C=C/C 34a_100016270725_100000700193 [0,1,0,0,0,0|1,0,2]=4 3381 B11R0.3 C=CCCCCCOC/C=C/C 7a_100011216702_100102629194 [0,1,0,0,0,0|1,0,2]=4 3382 B11R0.3 C=CCCCCCOCC#CC 34a_100000761923_100000700193 [0,1,0,0,0,0|1,0,2]=4 3383 B11R0.3 C=CCCCCCOCC#CC 34a_100011216702_100000748600 [0,1,0,0,0,0|1,0,2]=4 3384 B11R0.3 C=CCCCCCOCC#CC 7a_100011216702_100000748600 [0,1,0,0,0,0|1,0,2]=4 3385 B11R0.3 C=CCCCCCOCC=CC 34a_100011216702_100000070051 [0,1,0,0,0,0|1,0,2]=4 3386 B11R0.3 C=CCCCCCOCC=CC 7a_100011216702_100000070051 [0,1,0,0,0,0|1,0,2]=4 3387 B11R0.3 C=CCCCCCOCCC#N 7a_100011216702_100000184422 [0,1,0,0,0,0|2,0,1]=4 3388 B11R0.3 C=CCCCCCOCCC=C 34a_100011205117_100000700193 [0,1,0,0,0,0|1,0,2]=4 3389 B11R0.3 C=CCCCCCOCCC=C 34a_100011216702_100000754431 [0,1,0,0,0,0|1,0,2]=4 3390 B11R0.3 C=CCCCCCOCCC=C 7a_100011216702_100000754431 [0,1,0,0,0,0|1,0,2]=4 3391 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [0,1,0,0,0,0|2,0,0]=3 3392 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [0,1,0,0,0,0|1,0,0]=2 3393 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [0,1,0,0,0,0|1,0,0]=2 3394 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [0,1,0,0,0,0|1,0,0]=2 3395 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [0,1,0,0,0,0|1,0,0]=2 3396 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [0,1,0,0,0,0|2,0,0]=3 3397 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [0,1,0,0,0,0|2,0,0]=3 3398 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [0,1,0,0,0,0|2,0,0]=3 3399 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [0,1,0,0,0,0|2,0,0]=3 3400 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [0,1,0,0,0,0|2,0,0]=3 3401 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [0,1,0,0,0,0|2,0,0]=3 3402 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [0,1,0,0,0,0|2,0,0]=3 3403 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [0,1,0,0,0,0|2,0,0]=3 3404 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [0,1,0,0,0,0|2,0,0]=3 3405 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [0,1,0,0,0,0|2,0,0]=3 3406 B11R0.3 C=CCCCCCOCCON 34a_100000700252_100000700193 [0,1,0,0,0,0|3,0,0]=4 3407 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [0,1,0,0,0,0|2,0,0]=3 3408 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [0,1,0,0,0,0|2,0,0]=3 3409 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [0,1,0,0,0,0|2,0,0]=3 3410 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [0,1,0,0,0,0|2,0,0]=3 3411 B11R0.3 C=CCCCCCSC/C=C/C 62a_100000700193_100102629194 [0,1,0,0,0,0|1,0,2]=4 3412 B11R0.3 C=CCCCCCSC/C=C/C 62a_100102629194_100000700193 [0,1,0,0,0,0|1,0,2]=4 3413 B11R0.3 C=CCCCCCSCC#CC 62a_100000700193_100000748600 [0,1,0,0,0,0|1,0,2]=4 3414 B11R0.3 C=CCCCCCSCC#CC 62a_100000748600_100000700193 [0,1,0,0,0,0|1,0,2]=4 3415 B11R0.3 C=CCCCCCSCC=CC 62a_100000070051_100000700193 [0,1,0,0,0,0|1,0,2]=4 3416 B11R0.3 C=CCCCCCSCC=CC 62a_100000700193_100000070051 [0,1,0,0,0,0|1,0,2]=4 3417 B11R0.3 C=CCCCCCSCCC#N 62a_100000700193_100011215226 [0,1,0,0,0,0|2,0,1]=4 3418 B11R0.3 C=CCCCCCSCCC#N 62a_100011215226_100000700193 [0,1,0,0,0,0|2,0,1]=4 3419 B11R0.3 C=CCCCCCSCCC=C 62a_100000700193_100000754431 [0,1,0,0,0,0|1,0,2]=4 3420 B11R0.3 C=CCCCCCSCCC=C 62a_100000754431_100000700193 [0,1,0,0,0,0|1,0,2]=4 3421 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [0,1,0,0,0,0|1,0,0]=2 3422 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [0,1,0,0,0,0|1,0,0]=2 3423 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [0,1,0,0,0,0|2,0,0]=3 3424 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [0,1,0,0,0,0|2,0,0]=3 3425 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [0,1,0,0,0,0|2,0,0]=3 3426 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [0,1,0,0,0,0|2,0,0]=3 3427 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [0,1,0,0,0,0|2,0,0]=3 3428 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [0,1,0,0,0,0|2,0,0]=3 3429 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [0,1,0,0,0,0|2,0,0]=3 3430 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [0,1,0,0,0,0|2,0,0]=3 3431 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [0,1,0,0,0,0|2,0,0]=3 3432 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [0,1,0,0,0,0|2,0,0]=3 3433 B11R0.3 C=CCCCCNC/C=C\CC 2230a_100000703577_100103147603 [0,1,0,0,0,0|1,0,2]=4 3434 B11R0.3 C=CCCCCNC/C=C\CC 34a_100000703577_100103147603 [0,1,0,0,0,0|1,0,2]=4 3435 B11R0.3 C=CCCCCNCC#CCC 2230a_100000703577_100009813939 [0,1,0,0,0,0|1,0,2]=4 3436 B11R0.3 C=CCCCCNCC#CCC 34a_100000703577_100009813939 [0,1,0,0,0,0|1,0,2]=4 3437 B11R0.3 C=CCCCCNCCCC#N 2230a_100000703577_100000687738 [0,1,0,0,0,0|2,0,1]=4 3438 B11R0.3 C=CCCCCNCCCC=C 2230a_100000700776_100011215482 [0,1,0,0,0,0|1,0,2]=4 3439 B11R0.3 C=CCCCCNCCCC=C 2230a_100000703577_100011713584 [0,1,0,0,0,0|1,0,2]=4 3440 B11R0.3 C=CCCCCNCCCC=C 34a_100000700776_100011215482 [0,1,0,0,0,0|1,0,2]=4 3441 B11R0.3 C=CCCCCNCCCC=C 34a_100000703577_100000757094 [0,1,0,0,0,0|1,0,2]=4 3442 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [0,1,0,0,0,0|0,0,2]=3 3443 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [0,1,0,0,0,0|1,0,0]=2 3444 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [0,1,0,0,0,0|1,0,0]=2 3445 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [0,1,0,0,0,0|1,0,0]=2 3446 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [0,1,0,0,0,0|2,0,0]=3 3447 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [0,1,0,0,0,0|2,0,0]=3 3448 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [0,1,0,0,0,0|2,0,0]=3 3449 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [0,1,0,0,0,0|2,0,0]=3 3450 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [0,1,0,0,0,0|2,0,0]=3 3451 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [0,1,0,0,0,0|2,0,0]=3 3452 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [0,1,0,0,0,0|2,0,0]=3 3453 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [0,1,0,0,0,0|2,0,0]=3 3454 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [0,1,0,0,0,0|2,0,0]=3 3455 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [0,1,0,0,0,0|2,0,0]=3 3456 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [0,1,0,0,0,0|2,0,0]=3 3457 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [0,1,0,0,0,0|2,0,0]=3 3458 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [0,1,0,0,0,0|2,0,0]=3 3459 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [0,1,0,0,0,0|2,0,0]=3 3460 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [0,1,0,0,0,0|2,0,0]=3 3461 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [0,1,0,0,0,0|2,0,0]=3 3462 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [0,1,0,0,0,0|2,0,0]=3 3463 B11R0.3 C=CCCCCOC/C=C\CC 34a_100000766645_100103147603 [0,1,0,0,0,0|1,0,2]=4 3464 B11R0.3 C=CCCCCOC/C=C\CC 34a_100016268518_100011215482 [0,1,0,0,0,0|1,0,2]=4 3465 B11R0.3 C=CCCCCOC/C=C\CC 7a_100000766645_100103147603 [0,1,0,0,0,0|1,0,2]=4 3466 B11R0.3 C=CCCCCOCC#CCC 34a_100000032950_100011215482 [0,1,0,0,0,0|1,0,2]=4 3467 B11R0.3 C=CCCCCOCC#CCC 34a_100000766645_100009813939 [0,1,0,0,0,0|1,0,2]=4 3468 B11R0.3 C=CCCCCOCC#CCC 7a_100000766645_100009813939 [0,1,0,0,0,0|1,0,2]=4 3469 B11R0.3 C=CCCCCOCC/C=C/C 34a_100016278192_100011215482 [0,1,0,0,0,0|1,0,2]=4 3470 B11R0.3 C=CCCCCOCCC#CC 34a_100000750427_100011215482 [0,1,0,0,0,0|1,0,2]=4 3471 B11R0.3 C=CCCCCOCCCC#N 7a_100000766645_100000687738 [0,1,0,0,0,0|2,0,1]=4 3472 B11R0.3 C=CCCCCOCCCC=C 34a_100000758997_100011215482 [0,1,0,0,0,0|1,0,2]=4 3473 B11R0.3 C=CCCCCOCCCC=C 34a_100000766645_100000757094 [0,1,0,0,0,0|1,0,2]=4 3474 B11R0.3 C=CCCCCOCCCC=C 7a_100000758997_100011215482 [0,1,0,0,0,0|1,0,2]=4 3475 B11R0.3 C=CCCCCOCCCC=C 7a_100000766645_100000757094 [0,1,0,0,0,0|1,0,2]=4 3476 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [0,1,0,0,0,0|0,0,2]=3 3477 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [0,1,0,0,0,0|2,0,0]=3 3478 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [0,1,0,0,0,0|1,0,0]=2 3479 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [0,1,0,0,0,0|1,0,0]=2 3480 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [0,1,0,0,0,0|1,0,0]=2 3481 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [0,1,0,0,0,0|1,0,0]=2 3482 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [0,1,0,0,0,0|2,0,0]=3 3483 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [0,1,0,0,0,0|2,0,0]=3 3484 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [0,1,0,0,0,0|2,0,0]=3 3485 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [0,1,0,0,0,0|2,0,0]=3 3486 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [0,1,0,0,0,0|2,0,0]=3 3487 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [0,1,0,0,0,0|2,0,0]=3 3488 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [0,1,0,0,0,0|2,0,0]=3 3489 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [0,1,0,0,0,0|2,0,0]=3 3490 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [0,1,0,0,0,0|2,0,0]=3 3491 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [0,1,0,0,0,0|2,0,0]=3 3492 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [0,1,0,0,0,0|2,0,0]=3 3493 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [0,1,0,0,0,0|2,0,0]=3 3494 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [0,1,0,0,0,0|2,0,0]=3 3495 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [0,1,0,0,0,0|2,0,0]=3 3496 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [0,1,0,0,0,0|2,0,0]=3 3497 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [0,1,0,0,0,0|2,0,0]=3 3498 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [0,1,0,0,0,0|2,0,0]=3 3499 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [0,1,0,0,0,0|2,0,0]=3 3500 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [0,1,0,0,0,0|2,0,0]=3 3501 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [0,1,0,0,0,0|2,0,0]=3 3502 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [0,1,0,0,0,0|2,0,0]=3 3503 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [0,1,0,0,0,0|2,0,0]=3 3504 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [0,1,0,0,0,0|2,0,0]=3 3505 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [0,1,0,0,0,0|2,0,0]=3 3506 B11R0.3 C=CCCCCSC/C=C\CC 62a_100011215482_100103147603 [0,1,0,0,0,0|1,0,2]=4 3507 B11R0.3 C=CCCCCSC/C=C\CC 62a_100103147603_100011215482 [0,1,0,0,0,0|1,0,2]=4 3508 B11R0.3 C=CCCCCSCC#CCC 62a_100009813939_100011215482 [0,1,0,0,0,0|1,0,2]=4 3509 B11R0.3 C=CCCCCSCC#CCC 62a_100011215482_100009813939 [0,1,0,0,0,0|1,0,2]=4 3510 B11R0.3 C=CCCCCSCCCC#N 62a_100000687738_100011215482 [0,1,0,0,0,0|2,0,1]=4 3511 B11R0.3 C=CCCCCSCCCC#N 62a_100011215482_100000687738 [0,1,0,0,0,0|2,0,1]=4 3512 B11R0.3 C=CCCCCSCCCC=C 62a_100011215482_100000757094 [0,1,0,0,0,0|1,0,2]=4 3513 B11R0.3 C=CCCCCSCCCC=C 62a_100011713584_100011215482 [0,1,0,0,0,0|1,0,2]=4 3514 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [0,1,0,0,0,0|0,0,2]=3 3515 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [0,1,0,0,0,0|0,0,2]=3 3516 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [0,1,0,0,0,0|1,0,0]=2 3517 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [0,1,0,0,0,0|1,0,0]=2 3518 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [0,1,0,0,0,0|2,0,0]=3 3519 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [0,1,0,0,0,0|2,0,0]=3 3520 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [0,1,0,0,0,0|2,0,0]=3 3521 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [0,1,0,0,0,0|2,0,0]=3 3522 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [0,1,0,0,0,0|2,0,0]=3 3523 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [0,1,0,0,0,0|2,0,0]=3 3524 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [0,1,0,0,0,0|2,0,0]=3 3525 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [0,1,0,0,0,0|2,0,0]=3 3526 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [0,1,0,0,0,0|2,0,0]=3 3527 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [0,1,0,0,0,0|2,0,0]=3 3528 B11R0.3 C=CCCCNCC/C=C\CC 2230a_100000700776_100015370543 [0,1,0,0,0,0|1,0,2]=4 3529 B11R0.3 C=CCCCNCC/C=C\CC 34a_100000700776_100015370543 [0,1,0,0,0,0|1,0,2]=4 3530 B11R0.3 C=CCCCNCCCCC#N 2230a_100000700776_100000211819 [0,1,0,0,0,0|2,0,1]=4 3531 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [0,1,0,0,0,0|0,0,2]=3 3532 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [0,1,0,0,0,0|1,0,0]=2 3533 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [0,1,0,0,0,0|1,0,0]=2 3534 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [0,1,0,0,0,0|1,0,0]=2 3535 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [0,1,0,0,0,0|2,0,0]=3 3536 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [0,1,0,0,0,0|2,0,0]=3 3537 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [0,1,0,0,0,0|2,0,0]=3 3538 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [0,1,0,0,0,0|2,0,0]=3 3539 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [0,1,0,0,0,0|2,0,0]=3 3540 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [0,1,0,0,0,0|2,0,0]=3 3541 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [0,1,0,0,0,0|2,0,0]=3 3542 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [0,1,0,0,0,0|2,0,0]=3 3543 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [0,1,0,0,0,0|2,0,0]=3 3544 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [0,1,0,0,0,0|2,0,0]=3 3545 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [0,1,0,0,0,0|2,0,0]=3 3546 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [0,1,0,0,0,0|2,0,0]=3 3547 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [0,1,0,0,0,0|2,0,0]=3 3548 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [0,1,0,0,0,0|2,0,0]=3 3549 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [0,1,0,0,0,0|2,0,0]=3 3550 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [0,1,0,0,0,0|2,0,0]=3 3551 B11R0.3 C=CCCCNCCOCCO 2230a_100000211614_100011713584 [0,1,0,0,0,0|3,0,0]=4 3552 B11R0.3 C=CCCCNCCOCCO 2230a_100000700776_100011215305 [0,1,0,0,0,0|3,0,0]=4 3553 B11R0.3 C=CCCCNCCOCCO 34a_100000211614_100000757094 [0,1,0,0,0,0|3,0,0]=4 3554 B11R0.3 C=CCCCNCCOCCO 34a_100000700776_100000692535 [0,1,0,0,0,0|3,0,0]=4 3555 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [0,1,0,0,0,0|2,0,0]=3 3556 B11R0.3 C=CCCCNCCSCCO 2230a_100011219999_100011713584 [0,1,0,0,0,0|3,0,0]=4 3557 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [0,1,0,0,0,0|2,0,0]=3 3558 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [0,1,0,0,0,0|2,0,0]=3 3559 B11R0.3 C=CCCCNCOCCOC 2230a_100000700776_100000231047 [0,1,0,0,0,0|3,0,0]=4 3560 B11R0.3 C=CCCCOC/C=C/CCC 34a_100016278788_100000757094 [0,1,0,0,0,0|1,0,2]=4 3561 B11R0.3 C=CCCCOC/C=C/CCC 7a_100016278788_100000757094 [0,1,0,0,0,0|1,0,2]=4 3562 B11R0.3 C=CCCCOCC#CCCC 34a_100000034806_100000757094 [0,1,0,0,0,0|1,0,2]=4 3563 B11R0.3 C=CCCCOCC#CCCC 7a_100000034806_100000757094 [0,1,0,0,0,0|1,0,2]=4 3564 B11R0.3 C=CCCCOCC/C=C\CC 34a_100000758997_100015370543 [0,1,0,0,0,0|1,0,2]=4 3565 B11R0.3 C=CCCCOCC/C=C\CC 34a_100016288707_100000757094 [0,1,0,0,0,0|1,0,2]=4 3566 B11R0.3 C=CCCCOCC/C=C\CC 7a_100000758997_100015370543 [0,1,0,0,0,0|1,0,2]=4 3567 B11R0.3 C=CCCCOCC/C=C\CC 7a_100016288707_100000757094 [0,1,0,0,0,0|1,0,2]=4 3568 B11R0.3 C=CCCCOCCC#CCC 34a_100000036655_100000757094 [0,1,0,0,0,0|1,0,2]=4 3569 B11R0.3 C=CCCCOCCC#CCC 7a_100000036655_100000757094 [0,1,0,0,0,0|1,0,2]=4 3570 B11R0.3 C=CCCCOCCCC=CC 34a_100020645299_100000757094 [0,1,0,0,0,0|1,0,2]=4 3571 B11R0.3 C=CCCCOCCCCC#N 7a_100000758997_100000211819 [0,1,0,0,0,0|2,0,1]=4 3572 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [0,1,0,0,0,0|0,0,2]=3 3573 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [0,1,0,0,0,0|2,0,0]=3 3574 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [0,1,0,0,0,0|2,0,0]=3 3575 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [0,1,0,0,0,0|1,0,0]=2 3576 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [0,1,0,0,0,0|1,0,0]=2 3577 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [0,1,0,0,0,0|1,0,0]=2 3578 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [0,1,0,0,0,0|1,0,0]=2 3579 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [0,1,0,0,0,0|2,0,0]=3 3580 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [0,1,0,0,0,0|2,0,0]=3 3581 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [0,1,0,0,0,0|2,0,0]=3 3582 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [0,1,0,0,0,0|2,0,0]=3 3583 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [0,1,0,0,0,0|2,0,0]=3 3584 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [0,1,0,0,0,0|2,0,0]=3 3585 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [0,1,0,0,0,0|2,0,0]=3 3586 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [0,1,0,0,0,0|2,0,0]=3 3587 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [0,1,0,0,0,0|2,0,0]=3 3588 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [0,1,0,0,0,0|2,0,0]=3 3589 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [0,1,0,0,0,0|2,0,0]=3 3590 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [0,1,0,0,0,0|2,0,0]=3 3591 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [0,1,0,0,0,0|2,0,0]=3 3592 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [0,1,0,0,0,0|2,0,0]=3 3593 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [0,1,0,0,0,0|2,0,0]=3 3594 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [0,1,0,0,0,0|2,0,0]=3 3595 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [0,1,0,0,0,0|2,0,0]=3 3596 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [0,1,0,0,0,0|2,0,0]=3 3597 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [0,1,0,0,0,0|2,0,0]=3 3598 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [0,1,0,0,0,0|2,0,0]=3 3599 B11R0.3 C=CCCCOCCOCCBr 34a_100000692535_100000757094 [0,1,0,0,0,0|3,0,0]=4 3600 B11R0.3 C=CCCCOCCOCCBr 7a_100000692535_100000757094 [0,1,0,0,0,0|3,0,0]=4 3601 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [0,1,0,0,0,0|2,0,0]=3 3602 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [0,1,0,0,0,0|2,0,0]=3 3603 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [0,1,0,0,0,0|2,0,0]=3 3604 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [0,1,0,0,0,0|2,0,0]=3 3605 B11R0.3 C=CCCCOCCOCCCl 34a_100011215305_100000757094 [0,1,0,0,0,0|3,0,0]=4 3606 B11R0.3 C=CCCCOCCOCCCl 7a_100011215305_100000757094 [0,1,0,0,0,0|3,0,0]=4 3607 B11R0.3 C=CCCCOCCOCCF 34a_200015357709_100000757094 [0,1,0,0,0,0|3,0,0]=4 3608 B11R0.3 C=CCCCOCCOCCF 7a_200015357709_100000757094 [0,1,0,0,0,0|3,0,0]=4 3609 B11R0.3 C=CCCCOCCOCCI 34a_100012149058_100000757094 [0,1,0,0,0,0|3,0,0]=4 3610 B11R0.3 C=CCCCOCCOCCI 7a_100012149058_100000757094 [0,1,0,0,0,0|3,0,0]=4 3611 B11R0.3 C=CCCCOCCOCCN 34a_100000211614_100000757094 [0,1,0,0,0,0|3,0,0]=4 3612 B11R0.3 C=CCCCOCCOCCO 34a_100000758997_100000692535 [0,1,0,0,0,0|3,0,0]=4 3613 B11R0.3 C=CCCCOCCOCCO 7a_100000758997_100011215305 [0,1,0,0,0,0|3,0,0]=4 3614 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [0,1,0,0,0,0|2,0,0]=3 3615 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [0,1,0,0,0,0|2,0,0]=3 3616 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [0,1,0,0,0,0|2,0,0]=3 3617 B11R0.3 C=CCCCSCC/C=C\CC 62a_100011713584_100015370543 [0,1,0,0,0,0|1,0,2]=4 3618 B11R0.3 C=CCCCSCC/C=C\CC 62a_100015370543_100000757094 [0,1,0,0,0,0|1,0,2]=4 3619 B11R0.3 C=CCCCSCCCCC#N 62a_100011219923_100000757094 [0,1,0,0,0,0|2,0,1]=4 3620 B11R0.3 C=CCCCSCCCCC#N 62a_100011713584_100000211819 [0,1,0,0,0,0|2,0,1]=4 3621 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [0,1,0,0,0,0|0,0,2]=3 3622 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [0,1,0,0,0,0|0,0,2]=3 3623 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [0,1,0,0,0,0|1,0,0]=2 3624 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [0,1,0,0,0,0|1,0,0]=2 3625 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [0,1,0,0,0,0|2,0,0]=3 3626 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [0,1,0,0,0,0|2,0,0]=3 3627 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [0,1,0,0,0,0|2,0,0]=3 3628 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [0,1,0,0,0,0|2,0,0]=3 3629 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [0,1,0,0,0,0|2,0,0]=3 3630 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [0,1,0,0,0,0|2,0,0]=3 3631 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [0,1,0,0,0,0|2,0,0]=3 3632 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [0,1,0,0,0,0|2,0,0]=3 3633 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [0,1,0,0,0,0|2,0,0]=3 3634 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [0,1,0,0,0,0|2,0,0]=3 3635 B11R0.3 C=CCCCSCCOCCO 62a_100011215305_100000757094 [0,1,0,0,0,0|3,0,0]=4 3636 B11R0.3 C=CCCCSCCOCCO 62a_100011713584_100011215305 [0,1,0,0,0,0|3,0,0]=4 3637 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [0,1,0,0,0,0|2,0,0]=3 3638 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [0,1,0,0,0,0|2,0,0]=3 3639 B11R0.3 C=CCCCSCOCCOC 62a_100000231047_100000757094 [0,1,0,0,0,0|3,0,0]=4 3640 B11R0.3 C=CCCCSCOCCOC 62a_100011713584_100000231047 [0,1,0,0,0,0|3,0,0]=4 3641 B11R0.3 C=CCCNCCCCCC#N 2230a_100015191253_100009813376 [0,1,0,0,0,0|2,0,1]=4 3642 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [0,1,0,0,0,0|0,0,2]=3 3643 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [0,1,0,0,0,0|1,0,0]=2 3644 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [0,1,0,0,0,0|1,0,0]=2 3645 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [0,1,0,0,0,0|2,0,0]=3 3646 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [0,1,0,0,0,0|2,0,0]=3 3647 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [0,1,0,0,0,0|2,0,0]=3 3648 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [0,1,0,0,0,0|2,0,0]=3 3649 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [0,1,0,0,0,0|2,0,0]=3 3650 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [0,1,0,0,0,0|2,0,0]=3 3651 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [0,1,0,0,0,0|2,0,0]=3 3652 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [0,1,0,0,0,0|2,0,0]=3 3653 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [0,1,0,0,0,0|2,0,0]=3 3654 B11R0.3 C=CCCNCCOCCOC 2230a_100000745349_100000754431 [0,1,0,0,0,0|3,0,0]=4 3655 B11R0.3 C=CCCNCCOCCOC 2230a_100015191253_100000695917 [0,1,0,0,0,0|3,0,0]=4 3656 B11R0.3 C=CCCNCCOCCOC 34a_100000745349_100000754431 [0,1,0,0,0,0|3,0,0]=4 3657 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [0,1,0,0,0,0|2,0,0]=3 3658 B11R0.3 C=CCCOC/C=C/CCCC 34a_200016272032_100000754431 [0,1,0,0,0,0|1,0,2]=4 3659 B11R0.3 C=CCCOC/C=C/CCCC 7a_200016272032_100000754431 [0,1,0,0,0,0|1,0,2]=4 3660 B11R0.3 C=CCCOCC#CCCCC 34a_200000034558_100000754431 [0,1,0,0,0,0|1,0,2]=4 3661 B11R0.3 C=CCCOCC#CCCCC 7a_200000034558_100000754431 [0,1,0,0,0,0|1,0,2]=4 3662 B11R0.3 C=CCCOCCC#CCCC 34a_100000042726_100000754431 [0,1,0,0,0,0|1,0,2]=4 3663 B11R0.3 C=CCCOCCC#CCCC 7a_100000042726_100000754431 [0,1,0,0,0,0|1,0,2]=4 3664 B11R0.3 C=CCCOCCC/C=C/CC 34a_100016287902_100000754431 [0,1,0,0,0,0|1,0,2]=4 3665 B11R0.3 C=CCCOCCC/C=C/CC 7a_100016287902_100000754431 [0,1,0,0,0,0|1,0,2]=4 3666 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [0,1,0,0,0,0|2,0,0]=3 3667 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [0,1,0,0,0,0|2,0,0]=3 3668 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [0,1,0,0,0,0|1,0,0]=2 3669 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [0,1,0,0,0,0|1,0,0]=2 3670 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [0,1,0,0,0,0|1,0,0]=2 3671 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [0,1,0,0,0,0|2,0,0]=3 3672 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [0,1,0,0,0,0|2,0,0]=3 3673 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [0,1,0,0,0,0|2,0,0]=3 3674 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [0,1,0,0,0,0|2,0,0]=3 3675 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [0,1,0,0,0,0|2,0,0]=3 3676 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [0,1,0,0,0,0|2,0,0]=3 3677 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [0,1,0,0,0,0|2,0,0]=3 3678 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [0,1,0,0,0,0|2,0,0]=3 3679 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [0,1,0,0,0,0|2,0,0]=3 3680 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [0,1,0,0,0,0|2,0,0]=3 3681 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [0,1,0,0,0,0|2,0,0]=3 3682 B11R0.3 C=CCCOCCOCCNC 34a_100000228057_100000754431 [0,1,0,0,0,0|3,0,0]=4 3683 B11R0.3 C=CCCOCCOCCOC 34a_100011205117_100000695917 [0,1,0,0,0,0|3,0,0]=4 3684 B11R0.3 C=CCCOCCOCCOC 34a_100011215163_100000754431 [0,1,0,0,0,0|3,0,0]=4 3685 B11R0.3 C=CCCOCCOCCOC 7a_100011215163_100000754431 [0,1,0,0,0,0|3,0,0]=4 3686 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [0,1,0,0,0,0|2,0,0]=3 3687 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [0,1,0,0,0,0|2,0,0]=3 3688 B11R0.3 C=CCCSCCCCCC#N 62a_100000754431_100009813376 [0,1,0,0,0,0|2,0,1]=4 3689 B11R0.3 C=CCCSCCCCCC#N 62a_100009813376_100000754431 [0,1,0,0,0,0|2,0,1]=4 3690 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [0,1,0,0,0,0|0,0,2]=3 3691 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [0,1,0,0,0,0|0,0,2]=3 3692 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [0,1,0,0,0,0|1,0,0]=2 3693 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [0,1,0,0,0,0|1,0,0]=2 3694 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [0,1,0,0,0,0|2,0,0]=3 3695 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [0,1,0,0,0,0|2,0,0]=3 3696 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [0,1,0,0,0,0|2,0,0]=3 3697 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [0,1,0,0,0,0|2,0,0]=3 3698 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [0,1,0,0,0,0|2,0,0]=3 3699 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [0,1,0,0,0,0|2,0,0]=3 3700 B11R0.3 C=CCCSCCOCCOC 62a_100000695917_100000754431 [0,1,0,0,0,0|3,0,0]=4 3701 B11R0.3 C=CCCSCCOCCOC 62a_100000754431_100000695917 [0,1,0,0,0,0|3,0,0]=4 3702 B11R0.3 C=CCNCC#CCCCCC 2230a_100020586998_100009816472 [0,1,0,0,0,0|1,0,2]=4 3703 B11R0.3 C=CCNCCCCCCC#N 2230a_100020586998_100009813337 [0,1,0,0,0,0|2,0,1]=4 3704 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [0,1,0,0,0,0|1,0,0]=2 3705 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [0,1,0,0,0,0|1,0,0]=2 3706 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [0,1,0,0,0,0|1,0,0]=2 3707 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [0,1,0,0,0,0|2,0,0]=3 3708 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [0,1,0,0,0,0|2,0,0]=3 3709 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [0,1,0,0,0,0|2,0,0]=3 3710 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [0,1,0,0,0,0|2,0,0]=3 3711 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [0,1,0,0,0,0|2,0,0]=3 3712 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [0,1,0,0,0,0|2,0,0]=3 3713 B11R0.3 C=CCNCCCOCCCO 2230a_100011310245_100000210623 [0,1,0,0,0,0|3,0,0]=4 3714 B11R0.3 C=CCNCCCOCCCO 34a_100011310245_100015514636 [0,1,0,0,0,0|3,0,0]=4 3715 B11R0.3 C=CCNCCCOCCOC 2230a_100000206027_100000210623 [0,1,0,0,0,0|3,0,0]=4 3716 B11R0.3 C=CCNCCCOCCOC 2230a_100020586998_100011216529 [0,1,0,0,0,0|3,0,0]=4 3717 B11R0.3 C=CCNCCCOCCOC 34a_100000206027_100015514636 [0,1,0,0,0,0|3,0,0]=4 3718 B11R0.3 C=CCNCCOCCOCC 2230a_100020586998_100011211534 [0,1,0,0,0,0|3,0,0]=4 3719 B11R0.3 C=CCNCCOCCOCC 2230a_100102712874_100000210623 [0,1,0,0,0,0|3,0,0]=4 3720 B11R0.3 C=CCNCCOCCOCC 34a_100102712874_100015514636 [0,1,0,0,0,0|3,0,0]=4 3721 B11R0.3 C=CCOC/C=C/CCCCC 34a_100016258190_100015514636 [0,1,0,0,0,0|1,0,2]=4 3722 B11R0.3 C=CCOC/C=C/CCCCC 7a_100016258190_100015514636 [0,1,0,0,0,0|1,0,2]=4 3723 B11R0.3 C=CCOCC#CCCCCC 34a_200000033628_100015514636 [0,1,0,0,0,0|1,0,2]=4 3724 B11R0.3 C=CCOCC#CCCCCC 34a_200000210373_100009816472 [0,1,0,0,0,0|1,0,2]=4 3725 B11R0.3 C=CCOCC#CCCCCC 7a_200000033628_100015514636 [0,1,0,0,0,0|1,0,2]=4 3726 B11R0.3 C=CCOCC/C=C\CCCC 34a_200016286491_100015514636 [0,1,0,0,0,0|1,0,2]=4 3727 B11R0.3 C=CCOCC/C=C\CCCC 7a_200016286491_100015514636 [0,1,0,0,0,0|1,0,2]=4 3728 B11R0.3 C=CCOCCC#CCCCC 34a_100000037610_100015514636 [0,1,0,0,0,0|1,0,2]=4 3729 B11R0.3 C=CCOCCC#CCCCC 7a_100000037610_100015514636 [0,1,0,0,0,0|1,0,2]=4 3730 B11R0.3 C=CCOCCCC/C=C\CC 34a_100016287862_100015514636 [0,1,0,0,0,0|1,0,2]=4 3731 B11R0.3 C=CCOCCCC/C=C\CC 7a_100016287862_100015514636 [0,1,0,0,0,0|1,0,2]=4 3732 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [0,1,0,0,0,0|2,0,0]=3 3733 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [0,1,0,0,0,0|2,0,0]=3 3734 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [0,1,0,0,0,0|1,0,0]=2 3735 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [0,1,0,0,0,0|1,0,0]=2 3736 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [0,1,0,0,0,0|1,0,0]=2 3737 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [0,1,0,0,0,0|2,0,0]=3 3738 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [0,1,0,0,0,0|2,0,0]=3 3739 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [0,1,0,0,0,0|2,0,0]=3 3740 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [0,1,0,0,0,0|2,0,0]=3 3741 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [0,1,0,0,0,0|2,0,0]=3 3742 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [0,1,0,0,0,0|2,0,0]=3 3743 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [0,1,0,0,0,0|2,0,0]=3 3744 B11R0.3 C=CCOCCCOCCCN 34a_100011310245_100015514636 [0,1,0,0,0,0|3,0,0]=4 3745 B11R0.3 C=CCOCCCOCCOC 34a_200000210373_100011216529 [0,1,0,0,0,0|3,0,0]=4 3746 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [0,1,0,0,0,0|2,0,0]=3 3747 B11R0.3 C=CCOCCOCCCC=O 7a_100000037705_200011292268 [0,1,0,0,0,0|1,0,2]=4 3748 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [0,1,0,0,0,0|2,0,0]=3 3749 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [0,1,0,0,0,0|2,0,0]=3 3750 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [0,1,0,0,0,0|2,0,0]=3 3751 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [0,1,0,0,0,0|2,0,0]=3 3752 B11R0.3 C=CCOCCOCCCCF 34a_100000037705_100000729493 [0,1,0,0,0,0|3,0,0]=4 3753 B11R0.3 C=CCOCCOCCCCF 7a_100000037705_100000729493 [0,1,0,0,0,0|3,0,0]=4 3754 B11R0.3 C=CCOCCOCCCCO 34a_100000037705_100011216708 [0,1,0,0,0,0|3,0,0]=4 3755 B11R0.3 C=CCOCCOCCCCO 7a_100000037705_100000210776 [0,1,0,0,0,0|3,0,0]=4 3756 B11R0.3 C=CCOCCOCCCOC 34a_100000037705_100000740836 [0,1,0,0,0,0|3,0,0]=4 3757 B11R0.3 C=CCOCCOCCCOC 7a_100000037705_100000740836 [0,1,0,0,0,0|3,0,0]=4 3758 B11R0.3 C=CCOCCOCCOCC 34a_100000037705_100000210147 [0,1,0,0,0,0|3,0,0]=4 3759 B11R0.3 C=CCOCCOCCOCC 34a_100000065479_100000210202 [0,1,0,0,0,0|3,0,0]=4 3760 B11R0.3 C=CCOCCOCCOCC 34a_100000210240_100015514636 [0,1,0,0,0,0|3,0,0]=4 3761 B11R0.3 C=CCOCCOCCOCC 34a_200000210373_100011211534 [0,1,0,0,0,0|3,0,0]=4 3762 B11R0.3 C=CCOCCOCCOCC 7a_100000037705_100011215890 [0,1,0,0,0,0|3,0,0]=4 3763 B11R0.3 C=CCOCCOCCOCC 7a_100000065479_100000210202 [0,1,0,0,0,0|3,0,0]=4 3764 B11R0.3 C=CCOCCOCCOCC 7a_100000210240_100015514636 [0,1,0,0,0,0|3,0,0]=4 3765 B11R0.3 C=CCOCCOCCSCC 34a_100000037705_100000757381 [0,1,0,0,0,0|3,0,0]=4 3766 B11R0.3 C=CCOCCOCCSCC 7a_100000037705_100000757381 [0,1,0,0,0,0|3,0,0]=4 3767 B11R0.3 C=CCSCC#CCCCCC 62a_100000210623_100009816472 [0,1,0,0,0,0|1,0,2]=4 3768 B11R0.3 C=CCSCC#CCCCCC 62a_100009816472_100000210623 [0,1,0,0,0,0|1,0,2]=4 3769 B11R0.3 C=CCSCCCCCCC#N 62a_100000210623_100009813337 [0,1,0,0,0,0|2,0,1]=4 3770 B11R0.3 C=CCSCCCCCCC#N 62a_100009813337_100000210623 [0,1,0,0,0,0|2,0,1]=4 3771 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [0,1,0,0,0,0|1,0,0]=2 3772 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [0,1,0,0,0,0|1,0,0]=2 3773 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [0,1,0,0,0,0|2,0,0]=3 3774 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [0,1,0,0,0,0|2,0,0]=3 3775 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [0,1,0,0,0,0|2,0,0]=3 3776 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [0,1,0,0,0,0|2,0,0]=3 3777 B11R0.3 C=CCSCCCOCCOC 62a_100000210623_100011216529 [0,1,0,0,0,0|3,0,0]=4 3778 B11R0.3 C=CCSCCCOCCOC 62a_100011216529_100000210623 [0,1,0,0,0,0|3,0,0]=4 3779 B11R0.3 C=CCSCCOCCOCC 62a_100000210623_100011211534 [0,1,0,0,0,0|3,0,0]=4 3780 B11R0.3 C=CCSCCOCCOCC 62a_100011211534_100000210623 [0,1,0,0,0,0|3,0,0]=4 3781 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [0,1,0,0,0,0|2,0,0]=3 3782 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [0,1,0,0,0,0|2,0,0]=3 3783 B11R0.3 C=COCCCCOCCCF 34a_100000031558_100011934791 [0,1,0,0,0,0|3,0,0]=4 3784 B11R0.3 C=COCCCCOCCCF 7a_100000031558_100011934791 [0,1,0,0,0,0|3,0,0]=4 3785 B11R0.3 C=COCCCCOCCCO 34a_100000031558_100000230001 [0,1,0,0,0,0|3,0,0]=4 3786 B11R0.3 C=COCCCCOCCCO 7a_100000031558_100011215043 [0,1,0,0,0,0|3,0,0]=4 3787 B11R0.3 C=COCCCCOCCOC 34a_100000031558_100011201679 [0,1,0,0,0,0|3,0,0]=4 3788 B11R0.3 C=COCCCCOCCOC 7a_100000031558_100000233755 [0,1,0,0,0,0|3,0,0]=4 3789 B11R0.3 C=COCCCCOCCSC 34a_100000031558_100000212216 [0,1,0,0,0,0|3,0,0]=4 3790 B11R0.3 C=COCCCCOCCSC 7a_100000031558_100000212216 [0,1,0,0,0,0|3,0,0]=4 3791 B11R0.3 C=COCCCNCCCC=O 2230a_100000210767_200011292268 [0,1,0,0,0,0|1,0,2]=4 3792 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [0,1,0,0,0,0|2,0,0]=3 3793 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [0,1,0,0,0,0|2,0,0]=3 3794 B11R0.3 C=COCCCNCCCCF 2230a_100000210767_100000729493 [0,1,0,0,0,0|3,0,0]=4 3795 B11R0.3 C=COCCCNCCCCF 34a_100000210767_100000729493 [0,1,0,0,0,0|3,0,0]=4 3796 B11R0.3 C=COCCCNCCCCO 2230a_100000210767_100000210776 [0,1,0,0,0,0|3,0,0]=4 3797 B11R0.3 C=COCCCNCCCCO 34a_100000210767_100011216708 [0,1,0,0,0,0|3,0,0]=4 3798 B11R0.3 C=COCCCNCCCOC 2230a_100000210767_100000740836 [0,1,0,0,0,0|3,0,0]=4 3799 B11R0.3 C=COCCCNCCCOC 34a_100000210767_100000740836 [0,1,0,0,0,0|3,0,0]=4 3800 B11R0.3 C=COCCCNCCOCC 2230a_100000210767_100011215890 [0,1,0,0,0,0|3,0,0]=4 3801 B11R0.3 C=COCCCNCCOCC 34a_100000210767_100000210147 [0,1,0,0,0,0|3,0,0]=4 3802 B11R0.3 C=COCCCNCCSCC 2230a_100000210767_100000757381 [0,1,0,0,0,0|3,0,0]=4 3803 B11R0.3 C=COCCCNCCSCC 34a_100000210767_100000757381 [0,1,0,0,0,0|3,0,0]=4 3804 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [0,1,0,0,0,0|2,0,0]=3 3805 B11R0.3 C=COCCNCCCCCO 2230a_100000762737_100000039644 [0,1,0,0,0,0|3,0,0]=4 3806 B11R0.3 C=COCCNCCCCCO 34a_100000762737_100000039644 [0,1,0,0,0,0|3,0,0]=4 3807 B11R0.3 C=COCCNCCCOCC 2230a_100000210961_100000039644 [0,1,0,0,0,0|3,0,0]=4 3808 B11R0.3 C=COCCNCCCOCC 34a_100000210961_100000039644 [0,1,0,0,0,0|3,0,0]=4 3809 B11R0.3 C=COCCNCCOCCC 2230a_100161115042_100000039644 [0,1,0,0,0,0|3,0,0]=4 3810 B11R0.3 C=COCCNCCOCCC 34a_100161115042_100000039644 [0,1,0,0,0,0|3,0,0]=4 3811 B11R0.3 C=COCCNCCSCCC 2230a_100020603323_100000039644 [0,1,0,0,0,0|3,0,0]=4 3812 B11R0.3 C=COCCOCCCCCBr 34a_100000746331_100000039644 [0,1,0,0,0,0|3,0,0]=4 3813 B11R0.3 C=COCCOCCCCCBr 7a_100000746331_100000039644 [0,1,0,0,0,0|3,0,0]=4 3814 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [0,1,0,0,0,0|2,0,0]=3 3815 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [0,1,0,0,0,0|2,0,0]=3 3816 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [0,1,0,0,0,0|2,0,0]=3 3817 B11R0.3 C=COCCOCCCCCCl 34a_100000746330_100000039644 [0,1,0,0,0,0|3,0,0]=4 3818 B11R0.3 C=COCCOCCCCCCl 7a_100000746330_100000039644 [0,1,0,0,0,0|3,0,0]=4 3819 B11R0.3 C=COCCOCCCCCF 34a_100000033082_100000729378 [0,1,0,0,0,0|3,0,0]=4 3820 B11R0.3 C=COCCOCCCCCI 34a_200012148887_100000039644 [0,1,0,0,0,0|3,0,0]=4 3821 B11R0.3 C=COCCOCCCCCI 7a_200012148887_100000039644 [0,1,0,0,0,0|3,0,0]=4 3822 B11R0.3 C=COCCOCCCCCN 34a_100000762737_100000039644 [0,1,0,0,0,0|3,0,0]=4 3823 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [0,1,0,0,0,0|3,0,0]=4 3824 B11R0.3 C=COCCOCCCCOC 34a_100000033082_100000755781 [0,1,0,0,0,0|3,0,0]=4 3825 B11R0.3 C=COCCOCCCCOC 34a_100000740925_100000039644 [0,1,0,0,0,0|3,0,0]=4 3826 B11R0.3 C=COCCOCCCCSC 34a_100011217163_100000039644 [0,1,0,0,0,0|3,0,0]=4 3827 B11R0.3 C=COCCOCCCCSC 7a_100011217163_100000039644 [0,1,0,0,0,0|3,0,0]=4 3828 B11R0.3 C=COCCOCCCOCC 34a_100000033082_100012232248 [0,1,0,0,0,0|3,0,0]=4 3829 B11R0.3 C=COCCOCCCOCC 34a_100000757476_100000039644 [0,1,0,0,0,0|3,0,0]=4 3830 B11R0.3 C=COCCOCCCOCC 7a_100000757476_100000039644 [0,1,0,0,0,0|3,0,0]=4 3831 B11R0.3 C=COCCOCCCSCC 34a_100011216438_100000039644 [0,1,0,0,0,0|3,0,0]=4 3832 B11R0.3 C=COCCOCCCSCC 7a_100011216438_100000039644 [0,1,0,0,0,0|3,0,0]=4 3833 B11R0.3 C=COCCOCCOCCC 34a_100000033082_100011215938 [0,1,0,0,0,0|3,0,0]=4 3834 B11R0.3 C=COCCOCCOCCC 34a_100000039918_100000210303 [0,1,0,0,0,0|3,0,0]=4 3835 B11R0.3 C=COCCOCCOCCC 34a_100000752267_100000039644 [0,1,0,0,0,0|3,0,0]=4 3836 B11R0.3 C=COCCOCCOCCC 7a_100000039918_100000210303 [0,1,0,0,0,0|3,0,0]=4 3837 B11R0.3 C=COCCOCCOCCC 7a_100000752267_100000039644 [0,1,0,0,0,0|3,0,0]=4 3838 B11R0.3 C=COCCOCCSCCC 34a_200000230433_100000039644 [0,1,0,0,0,0|3,0,0]=4 3839 B11R0.3 C=COCCOCCSCCC 7a_200000230433_100000039644 [0,1,0,0,0,0|3,0,0]=4 3840 B11R0.3 C=COCCOCOCCCC 34a_100000033082_100011995733 [0,1,0,0,0,0|3,0,0]=4 3841 B11R0.3 C=COCCSCCCCC=O 62a_100000039644_100000139335 [0,1,0,0,0,0|1,0,2]=4 3842 B11R0.3 C=COCCSCCCCC=O 62a_100000139335_100000039644 [0,1,0,0,0,0|1,0,2]=4 3843 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [0,1,0,0,0,0|2,0,0]=3 3844 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [0,1,0,0,0,0|2,0,0]=3 3845 B11R0.3 C=COCCSCCCCCF 62a_100000039644_100000729378 [0,1,0,0,0,0|3,0,0]=4 3846 B11R0.3 C=COCCSCCCCCF 62a_100000729378_100000039644 [0,1,0,0,0,0|3,0,0]=4 3847 B11R0.3 C=COCCSCCCCCO 62a_100000039644_100000746330 [0,1,0,0,0,0|3,0,0]=4 3848 B11R0.3 C=COCCSCCCCCO 62a_100000746330_100000039644 [0,1,0,0,0,0|3,0,0]=4 3849 B11R0.3 C=COCCSCCCCOC 62a_100000039644_100000730899 [0,1,0,0,0,0|3,0,0]=4 3850 B11R0.3 C=COCCSCCCCOC 62a_100000730899_100000039644 [0,1,0,0,0,0|3,0,0]=4 3851 B11R0.3 C=COCCSCCCOCC 62a_100000039644_100012232248 [0,1,0,0,0,0|3,0,0]=4 3852 B11R0.3 C=COCCSCCCOCC 62a_100012232248_100000039644 [0,1,0,0,0,0|3,0,0]=4 3853 B11R0.3 C=COCCSCCOCCC 62a_100000039644_100011215938 [0,1,0,0,0,0|3,0,0]=4 3854 B11R0.3 C=COCCSCCOCCC 62a_100011215938_100000039644 [0,1,0,0,0,0|3,0,0]=4 3855 B11R0.3 C=COCCSCOCCCC 62a_100000039644_100011995733 [0,1,0,0,0,0|3,0,0]=4 3856 B11R0.3 C=COCCSCOCCCC 62a_100011995733_100000039644 [0,1,0,0,0,0|3,0,0]=4 3857 B11R0.3 CC#CCCOCCCCCC 34a_100000750427_100000210314 [0,1,0,0,0,0|1,0,2]=4 3858 B11R0.3 CC#CCNCCCCCC=O 2230a_100000685387_100000139337 [0,1,0,0,0,0|0,0,2]=3 3859 B11R0.3 CC#CCNCCCCCCC 2230a_100000229938_100000748600 [0,1,0,0,0,0|1,0,2]=4 3860 B11R0.3 CC#CCNCCCCCCC 2230a_100000685387_100000210681 [0,1,0,0,0,0|1,0,2]=4 3861 B11R0.3 CC#CCNCCCCCCC 34a_100000685387_100000210614 [0,1,0,0,0,0|1,0,2]=4 3862 B11R0.3 CC#CCOCCCCCCC 34a_100000210272_100000748600 [0,1,0,0,0,0|1,0,2]=4 3863 B11R0.3 CC#CCOCCCCCCC 34a_100000761923_100000210614 [0,1,0,0,0,0|1,0,2]=4 3864 B11R0.3 CC#CCOCCCCCCC 7a_100000210272_100000748600 [0,1,0,0,0,0|1,0,2]=4 3865 B11R0.3 CC#CCSCCCCCC=O 62a_100000139337_100000748600 [0,1,0,0,0,0|0,0,2]=3 3866 B11R0.3 CC#CCSCCCCCC=O 62a_100000748600_100000139337 [0,1,0,0,0,0|0,0,2]=3 3867 B11R0.3 CC#CCSCCCCCCC 62a_100000210614_100000748600 [0,1,0,0,0,0|1,0,2]=4 3868 B11R0.3 CC#CCSCCCCCCC 62a_100000748600_100000210316 [0,1,0,0,0,0|1,0,2]=4 3869 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [0,1,0,0,0,0|2,0,1]=4 3870 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [0,1,0,0,0,0|2,0,1]=4 3871 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [0,1,0,0,0,0|2,0,1]=4 3872 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [0,1,0,0,0,0|2,0,1]=4 3873 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [0,1,0,0,0,0|2,0,1]=4 3874 B11R0.3 CC/C=C\CCCCOCC=O 34a_100016287862_200009817547 [0,1,0,0,0,0|0,0,2]=3 3875 B11R0.3 CC/C=C\CCCCOCC=O 7a_100016287862_200015260668 [0,1,0,0,0,0|0,0,2]=3 3876 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [0,1,0,0,0,0|2,0,1]=4 3877 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [0,1,0,0,0,0|2,0,1]=4 3878 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [0,1,0,0,0,0|2,0,1]=4 3879 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [0,1,0,0,0,0|0,0,2]=3 3880 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [0,1,0,0,0,0|2,0,1]=4 3881 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [0,1,0,0,0,0|2,0,1]=4 3882 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [0,1,0,0,0,0|2,0,1]=4 3883 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [0,1,0,0,0,0|2,0,1]=4 3884 B11R0.3 CC/C=C\CCSCCCC=O 62a_100015370543_200011292268 [0,1,0,0,0,0|0,0,2]=3 3885 B11R0.3 CC/C=C\CCSCCCC=O 62a_200011292268_100015370543 [0,1,0,0,0,0|0,0,2]=3 3886 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [0,1,0,0,0,0|2,0,1]=4 3887 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [0,1,0,0,0,0|2,0,1]=4 3888 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [0,1,0,0,0,0|2,0,1]=4 3889 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [0,1,0,0,0,0|2,0,1]=4 3890 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [0,1,0,0,0,0|2,0,1]=4 3891 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [0,1,0,0,0,0|2,0,1]=4 3892 B11R0.3 CC/C=C\CSCCCCC=O 62a_100000139335_100103147603 [0,1,0,0,0,0|0,0,2]=3 3893 B11R0.3 CC/C=C\CSCCCCC=O 62a_100103147603_100000139335 [0,1,0,0,0,0|0,0,2]=3 3894 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [0,1,0,0,0,0|2,0,1]=4 3895 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [0,1,0,0,0,0|2,0,1]=4 3896 B11R0.3 CC=C=CCCOCCCCC 34a_100011020354_100000718602 [0,1,0,0,0,0|1,0,2]=4 3897 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [0,1,0,0,0,0|1,0,1]=3 3898 B11R0.3 CC=CCCCOCCCCF 34a_100020645299_100000729493 [0,1,0,0,0,0|2,0,1]=4 3899 B11R0.3 CC=CCCCOCCCCO 34a_100020645299_100011216708 [0,1,0,0,0,0|2,0,1]=4 3900 B11R0.3 CC=CCCCOCCCOC 34a_100020645299_100000740836 [0,1,0,0,0,0|2,0,1]=4 3901 B11R0.3 CC=CCCCOCCOCC 34a_100020645299_100000210147 [0,1,0,0,0,0|2,0,1]=4 3902 B11R0.3 CC=CCCCOCCSCC 34a_100020645299_100000757381 [0,1,0,0,0,0|2,0,1]=4 3903 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [0,1,0,0,0,0|1,0,1]=3 3904 B11R0.3 CC=CCNCCCCCCO 2230a_100000686447_100000070051 [0,1,0,0,0,0|2,0,1]=4 3905 B11R0.3 CC=CCNCCCCCCO 34a_100000686447_100000070051 [0,1,0,0,0,0|2,0,1]=4 3906 B11R0.3 CC=CCNCCCCCOC 2230a_100000747528_100000070051 [0,1,0,0,0,0|2,0,1]=4 3907 B11R0.3 CC=CCNCCCCCOC 34a_100000747528_100000070051 [0,1,0,0,0,0|2,0,1]=4 3908 B11R0.3 CC=CCNCCCOCCC 2230a_100011217757_100000070051 [0,1,0,0,0,0|2,0,1]=4 3909 B11R0.3 CC=CCNCCCOCCC 34a_100011217757_100000070051 [0,1,0,0,0,0|2,0,1]=4 3910 B11R0.3 CC=CCNCCSCCCC 2230a_100025743550_100000070051 [0,1,0,0,0,0|2,0,1]=4 3911 B11R0.3 CC=CCOCCCCCCBr 34a_100011215345_100000070051 [0,1,0,0,0,0|2,0,1]=4 3912 B11R0.3 CC=CCOCCCCCCBr 7a_100011215345_100000070051 [0,1,0,0,0,0|2,0,1]=4 3913 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [0,1,0,0,0,0|1,0,1]=3 3914 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [0,1,0,0,0,0|1,0,1]=3 3915 B11R0.3 CC=CCOCCCCCCCl 34a_100000766143_100000070051 [0,1,0,0,0,0|2,0,1]=4 3916 B11R0.3 CC=CCOCCCCCCCl 7a_100000766143_100000070051 [0,1,0,0,0,0|2,0,1]=4 3917 B11R0.3 CC=CCOCCCCCCF 34a_100000732779_100000070051 [0,1,0,0,0,0|2,0,1]=4 3918 B11R0.3 CC=CCOCCCCCCF 7a_100000732779_100000070051 [0,1,0,0,0,0|2,0,1]=4 3919 B11R0.3 CC=CCOCCCCCCN 34a_100000686447_100000070051 [0,1,0,0,0,0|2,0,1]=4 3920 B11R0.3 CC=CCOCCCCCNC 34a_100000722520_100000070051 [0,1,0,0,0,0|2,0,1]=4 3921 B11R0.3 CC=CCOCCOCCCC 34a_100000210238_100000070051 [0,1,0,0,0,0|2,0,1]=4 3922 B11R0.3 CC=CCOCCOCCCC 7a_100000210238_100000070051 [0,1,0,0,0,0|2,0,1]=4 3923 B11R0.3 CC=CCOCCSCCCC 34a_200000230436_100000070051 [0,1,0,0,0,0|2,0,1]=4 3924 B11R0.3 CC=CCOCCSCCCC 7a_200000230436_100000070051 [0,1,0,0,0,0|2,0,1]=4 3925 B11R0.3 CC=CCSCCCCCC=O 62a_100000070051_100000139337 [0,1,0,0,0,0|0,0,2]=3 3926 B11R0.3 CC=CCSCCCCCC=O 62a_100000139337_100000070051 [0,1,0,0,0,0|0,0,2]=3 3927 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [0,1,0,0,0,0|1,0,1]=3 3928 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [0,1,0,0,0,0|1,0,1]=3 3929 B11R0.3 CC=CCSCCCCCCF 62a_100000070051_100015922095 [0,1,0,0,0,0|2,0,1]=4 3930 B11R0.3 CC=CCSCCCCCCF 62a_100015922095_100000070051 [0,1,0,0,0,0|2,0,1]=4 3931 B11R0.3 CC=CCSCCCCCCO 62a_100000070051_100000766143 [0,1,0,0,0,0|2,0,1]=4 3932 B11R0.3 CC=CCSCCCCCCO 62a_100000766143_100000070051 [0,1,0,0,0,0|2,0,1]=4 3933 B11R0.3 CC=CCSCCOCCCC 62a_100000070051_100000743108 [0,1,0,0,0,0|2,0,1]=4 3934 B11R0.3 CC=CCSCCOCCCC 62a_100000743108_100000070051 [0,1,0,0,0,0|2,0,1]=4 3935 B11R0.3 CCC#CCCCCCCNC 2230a_106832991635_200000036426 [0,1,0,0,0,0|2,0,1]=4 3936 B11R0.3 CCC#CCCCCCCNC 34a_100102657272_200000036426 [0,1,0,0,0,0|2,0,1]=4 3937 B11R0.3 CCC#CCCCCCCNC 7a_106832991635_200000036426 [0,1,0,0,0,0|2,0,1]=4 3938 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [0,1,0,0,0,0|2,0,1]=4 3939 B11R0.3 CCC#CCCCCCCSC 62a_200000036426_200000210301 [0,1,0,0,0,0|2,0,1]=4 3940 B11R0.3 CCC#CCCCCCCSC 62a_200000210301_200000036426 [0,1,0,0,0,0|2,0,1]=4 3941 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200000036426_200025704644 [0,1,0,0,0,0|2,0,1]=4 3942 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200025704644_200000036426 [0,1,0,0,0,0|2,0,1]=4 3943 B11R0.3 CCC#CCCOCCCC=O 7a_100000036655_200011292268 [0,1,0,0,0,0|0,0,2]=3 3944 B11R0.3 CCC#CCSCCCCC=O 62a_100000139335_100009813939 [0,1,0,0,0,0|0,0,2]=3 3945 B11R0.3 CCC#CCSCCCCC=O 62a_100009813939_100000139335 [0,1,0,0,0,0|0,0,2]=3 3946 B11R0.3 CCC/C=C/COCCCC=O 7a_100016278788_200011292268 [0,1,0,0,0,0|0,0,2]=3 3947 B11R0.3 CCCC#CCOCCCC=O 7a_100000034806_200011292268 [0,1,0,0,0,0|0,0,2]=3 3948 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [0,1,0,0,0,0|2,0,1]=4 3949 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [0,1,0,0,0,0|2,0,1]=4 3950 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [0,1,0,0,0,0|2,0,1]=4 3951 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [0,1,0,0,0,0|2,0,1]=4 3952 B11R0.3 CCCC/C=C\CCOCC=O 34a_200016286491_200009817547 [0,1,0,0,0,0|0,0,2]=3 3953 B11R0.3 CCCC/C=C\CCOCC=O 7a_200016286491_200015260668 [0,1,0,0,0,0|0,0,2]=3 3954 B11R0.3 CCCCC#CCCCCOC 34a_200000066234_200000210301 [0,1,0,0,0,0|2,0,1]=4 3955 B11R0.3 CCCCC#CCCCCOC 7a_200000066234_200000210301 [0,1,0,0,0,0|2,0,1]=4 3956 B11R0.3 CCCCC#CCCCCO[13CH3] 34a_200000066234_200025704644 [0,1,0,0,0,0|2,0,1]=4 3957 B11R0.3 CCCCC#CCCCCO[13CH3] 7a_200000066234_200025704644 [0,1,0,0,0,0|2,0,1]=4 3958 B11R0.3 CCCCC#CCCOCC=O 34a_100000037610_200009817547 [0,1,0,0,0,0|0,0,2]=3 3959 B11R0.3 CCCCC#CCCOCC=O 7a_100000037610_200015260668 [0,1,0,0,0,0|0,0,2]=3 3960 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [0,1,0,0,0,0|0,0,2]=3 3961 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [0,1,0,0,0,0|0,0,2]=3 3962 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [0,1,0,0,0,0|2,0,1]=4 3963 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [0,1,0,0,0,0|2,0,1]=4 3964 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [0,1,0,0,0,0|2,0,1]=4 3965 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [0,1,0,0,0,0|2,0,1]=4 3966 B11R0.3 CCCCCC#CCOCC=O 34a_200000033628_200009817547 [0,1,0,0,0,0|0,0,2]=3 3967 B11R0.3 CCCCCC#CCOCC=O 7a_200000033628_200015260668 [0,1,0,0,0,0|0,0,2]=3 3968 B11R0.3 CCCCCC#CCSCC=O 62a_100009816472_200015260668 [0,1,0,0,0,0|0,0,2]=3 3969 B11R0.3 CCCCCC#CCSCC=O 62a_200015260668_100009816472 [0,1,0,0,0,0|0,0,2]=3 3970 B11R0.3 CCCCCCC#CCCOC 34a_200000033163_200000210301 [0,1,0,0,0,0|2,0,1]=4 3971 B11R0.3 CCCCCCC#CCCOC 7a_200000033163_200000210301 [0,1,0,0,0,0|2,0,1]=4 3972 B11R0.3 CCCCCCC#CCCO[13CH3] 34a_200000033163_200025704644 [0,1,0,0,0,0|2,0,1]=4 3973 B11R0.3 CCCCCCC#CCCO[13CH3] 7a_200000033163_200025704644 [0,1,0,0,0,0|2,0,1]=4 3974 B11R0.3 CCCCCCCC#CCOC 34a_200000061759_200000210301 [0,1,0,0,0,0|2,0,1]=4 3975 B11R0.3 CCCCCCCC#CCOC 7a_200000061759_200000210301 [0,1,0,0,0,0|2,0,1]=4 3976 B11R0.3 CCCCCCCC#CCO[13CH3] 34a_200000061759_200025704644 [0,1,0,0,0,0|2,0,1]=4 3977 B11R0.3 CCCCCCCC#CCO[13CH3] 7a_200000061759_200025704644 [0,1,0,0,0,0|2,0,1]=4 3978 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [0,1,0,0,0,0|1,0,1]=3 3979 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [0,1,0,0,0,0|1,0,1]=3 3980 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [0,1,0,0,0,0|1,0,1]=3 3981 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [0,1,0,0,0,0|1,0,1]=3 3982 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [0,1,0,0,0,0|1,0,1]=3 3983 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [0,1,0,0,0,0|1,0,1]=3 3984 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [0,1,0,0,0,0|1,0,1]=3 3985 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [0,1,0,0,0,0|0,0,2]=3 3986 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [0,1,0,0,0,0|0,0,2]=3 3987 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [0,1,0,0,0,0|0,0,2]=3 3988 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [0,1,0,0,0,0|0,0,2]=3 3989 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [0,1,0,0,0,0|0,0,2]=3 3990 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [0,1,0,0,0,0|0,1,1]=3 3991 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [0,1,0,0,0,0|0,1,1]=3 3992 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [0,1,0,0,0,0|1,0,1]=3 3993 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [0,1,0,0,0,0|1,0,1]=3 3994 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [0,1,0,0,0,0|1,0,1]=3 3995 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [0,1,0,0,0,0|1,0,1]=3 3996 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [0,1,0,0,0,0|1,0,1]=3 3997 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [0,1,0,0,0,0|1,0,1]=3 3998 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [0,1,0,0,0,0|1,0,1]=3 3999 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [0,1,0,0,0,0|1,0,1]=3 4000 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [0,1,0,0,0,0|1,0,1]=3 4001 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [0,1,0,0,0,0|1,0,1]=3 4002 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [0,1,0,0,0,0|1,0,1]=3 4003 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [0,1,0,0,0,0|1,0,1]=3 4004 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [0,1,0,0,0,0|0,0,0]=1 4005 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [0,1,0,0,0,0|0,0,0]=1 4006 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [0,1,0,0,0,0|1,0,1]=3 4007 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [0,1,0,0,0,0|1,0,1]=3 4008 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [0,1,0,0,0,0|1,0,1]=3 4009 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [0,1,0,0,0,0|1,0,1]=3 4010 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [0,1,0,0,0,0|1,0,1]=3 4011 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [0,1,0,0,0,0|0,0,2]=3 4012 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [0,1,0,0,0,0|0,0,2]=3 4013 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [0,1,0,0,0,0|0,0,2]=3 4014 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [0,1,0,0,0,0|0,0,2]=3 4015 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [0,1,0,0,0,0|2,0,0]=3 4016 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [0,1,0,0,0,0|2,0,0]=3 4017 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [0,1,0,0,0,0|2,0,0]=3 4018 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [0,1,0,0,0,0|1,0,1]=3 4019 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,1,0,0,0,0|0,0,0]=1 4020 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,1,0,0,0,0|0,0,0]=1 4021 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [0,1,0,0,0,0|1,0,1]=3 4022 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [0,1,0,0,0,0|1,0,1]=3 4023 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [0,1,0,0,0,0|1,0,1]=3 4024 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [0,1,0,0,0,0|1,0,1]=3 4025 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [0,1,0,0,0,0|1,0,1]=3 4026 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [0,1,0,0,0,0|1,0,1]=3 4027 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [0,1,0,0,0,0|1,0,1]=3 4028 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [0,1,0,0,0,0|0,0,2]=3 4029 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [0,1,0,0,0,0|0,0,2]=3 4030 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [0,1,0,0,0,0|2,0,0]=3 4031 B11R0.3 CCCCCCCCSCC#N 62a_100000210759_100011215382 [0,1,0,0,0,0|1,0,1]=3 4032 B11R0.3 CCCCCCCCSCC#N 62a_100011215382_100000210317 [0,1,0,0,0,0|1,0,1]=3 4033 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [0,1,0,0,0,0|0,0,0]=1 4034 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [0,1,0,0,0,0|0,0,0]=1 4035 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [0,1,0,0,0,0|1,0,1]=3 4036 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [0,1,0,0,0,0|1,0,1]=3 4037 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [0,1,0,0,0,0|1,0,1]=3 4038 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [0,1,0,0,0,0|1,0,1]=3 4039 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [0,1,0,0,0,0|0,0,2]=3 4040 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [0,1,0,0,0,0|0,0,2]=3 4041 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [0,1,0,0,0,0|2,0,0]=3 4042 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [0,1,0,0,0,0|2,0,0]=3 4043 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [0,1,0,0,0,0|2,0,0]=3 4044 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [0,1,0,0,0,0|2,0,0]=3 4045 B11R0.3 CCCCCCCNCCC#N 2230a_100000229938_100011215226 [0,1,0,0,0,0|1,0,1]=3 4046 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [0,1,0,0,0,0|1,0,1]=3 4047 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [0,1,0,0,0,0|1,0,1]=3 4048 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [0,1,0,0,0,0|1,0,1]=3 4049 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [0,1,0,0,0,0|1,0,1]=3 4050 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [0,1,0,0,0,0|1,0,1]=3 4051 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [0,1,0,0,0,0|1,0,1]=3 4052 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [0,1,0,0,0,0|0,0,2]=3 4053 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [0,1,0,0,0,0|2,0,0]=3 4054 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [0,1,0,0,0,0|2,0,0]=3 4055 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [0,1,0,0,0,0|2,0,0]=3 4056 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [0,1,0,0,0,0|2,0,0]=3 4057 B11R0.3 CCCCCCCOCCC#N 7a_100000210272_100000184422 [0,1,0,0,0,0|1,0,1]=3 4058 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [0,1,0,0,0,0|1,0,1]=3 4059 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [0,1,0,0,0,0|1,0,1]=3 4060 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [0,1,0,0,0,0|1,0,1]=3 4061 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [0,1,0,0,0,0|1,0,1]=3 4062 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [0,1,0,0,0,0|1,0,1]=3 4063 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [0,1,0,0,0,0|1,0,1]=3 4064 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [0,1,0,0,0,0|1,0,1]=3 4065 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [0,1,0,0,0,0|1,0,1]=3 4066 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [0,1,0,0,0,0|1,0,1]=3 4067 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [0,1,0,0,0,0|1,0,1]=3 4068 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [0,1,0,0,0,0|0,0,2]=3 4069 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [0,1,0,0,0,0|0,0,2]=3 4070 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [0,1,0,0,0,0|2,0,0]=3 4071 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [0,1,0,0,0,0|2,0,0]=3 4072 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [0,1,0,0,0,0|2,0,0]=3 4073 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [0,1,0,0,0,0|2,0,0]=3 4074 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [0,1,0,0,0,0|2,0,0]=3 4075 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [0,1,0,0,0,0|2,0,0]=3 4076 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [0,1,0,0,0,0|2,0,0]=3 4077 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [0,1,0,0,0,0|2,0,0]=3 4078 B11R0.3 CCCCCCCSCCC#N 62a_100000210614_100011215226 [0,1,0,0,0,0|1,0,1]=3 4079 B11R0.3 CCCCCCCSCCC#N 62a_100011215226_100000210316 [0,1,0,0,0,0|1,0,1]=3 4080 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [0,1,0,0,0,0|1,0,1]=3 4081 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [0,1,0,0,0,0|1,0,1]=3 4082 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [0,1,0,0,0,0|1,0,1]=3 4083 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [0,1,0,0,0,0|1,0,1]=3 4084 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [0,1,0,0,0,0|0,0,2]=3 4085 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [0,1,0,0,0,0|0,0,2]=3 4086 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [0,1,0,0,0,0|2,0,0]=3 4087 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [0,1,0,0,0,0|2,0,0]=3 4088 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [0,1,0,0,0,0|2,0,0]=3 4089 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [0,1,0,0,0,0|2,0,0]=3 4090 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [0,1,0,0,0,0|2,0,1]=4 4091 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [0,1,0,0,0,0|2,0,1]=4 4092 B11R0.3 CCCCCCCSCSC#N 62a_100000210614_100000211825 [0,1,0,0,0,0|2,0,1]=4 4093 B11R0.3 CCCCCCCSCSC#N 62a_100000211825_100000210316 [0,1,0,0,0,0|2,0,1]=4 4094 B11R0.3 CCCCCCNCCCC#N 2230a_100000210581_100000687738 [0,1,0,0,0,0|1,0,1]=3 4095 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [0,1,0,0,0,0|0,0,0]=1 4096 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [0,1,0,0,0,0|1,0,1]=3 4097 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [0,1,0,0,0,0|1,0,1]=3 4098 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [0,1,0,0,0,0|1,0,1]=3 4099 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [0,1,0,0,0,0|0,0,2]=3 4100 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [0,1,0,0,0,0|0,0,2]=3 4101 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [0,1,0,0,0,0|0,0,2]=3 4102 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [0,1,0,0,0,0|2,0,0]=3 4103 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [0,1,0,0,0,0|2,0,0]=3 4104 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [0,1,0,0,0,0|2,0,0]=3 4105 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [0,1,0,0,0,0|2,0,1]=4 4106 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [0,1,0,0,0,0|2,0,1]=4 4107 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [0,1,0,0,0,0|2,0,1]=4 4108 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [0,1,0,0,0,0|2,0,1]=4 4109 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [0,1,0,0,0,0|2,0,1]=4 4110 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [0,1,0,0,0,0|1,0,1]=3 4111 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [0,1,0,0,0,0|0,0,0]=1 4112 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [0,1,0,0,0,0|1,0,1]=3 4113 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [0,1,0,0,0,0|1,0,1]=3 4114 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [0,1,0,0,0,0|1,0,1]=3 4115 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [0,1,0,0,0,0|1,0,1]=3 4116 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [0,1,0,0,0,0|1,0,1]=3 4117 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [0,1,0,0,0,0|1,0,1]=3 4118 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [0,1,0,0,0,0|1,0,1]=3 4119 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [0,1,0,0,0,0|1,0,1]=3 4120 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [0,1,0,0,0,0|1,0,1]=3 4121 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [0,1,0,0,0,0|1,0,1]=3 4122 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [0,1,0,0,0,0|1,0,1]=3 4123 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [0,1,0,0,0,0|1,0,1]=3 4124 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [0,1,0,0,0,0|1,0,1]=3 4125 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [0,1,0,0,0,0|0,0,2]=3 4126 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [0,1,0,0,0,0|0,0,2]=3 4127 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [0,1,0,0,0,0|2,0,0]=3 4128 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [0,1,0,0,0,0|2,0,0]=3 4129 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [0,1,0,0,0,0|2,0,0]=3 4130 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [0,1,0,0,0,0|2,0,0]=3 4131 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [0,1,0,0,0,0|2,0,0]=3 4132 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [0,1,0,0,0,0|2,0,0]=3 4133 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [0,1,0,0,0,0|2,0,1]=4 4134 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [0,1,0,0,0,0|2,0,1]=4 4135 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [0,1,0,0,0,0|2,0,1]=4 4136 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [0,1,0,0,0,0|2,0,1]=4 4137 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [0,1,0,0,0,0|2,0,1]=4 4138 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [0,1,0,0,0,0|2,0,1]=4 4139 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [0,1,0,0,0,0|2,0,1]=4 4140 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [0,1,0,0,0,0|2,0,1]=4 4141 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [0,1,0,0,0,0|2,0,1]=4 4142 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [0,1,0,0,0,0|2,0,1]=4 4143 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [0,1,0,0,0,0|2,0,1]=4 4144 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [0,1,0,0,0,0|2,0,1]=4 4145 B11R0.3 CCCCCCSCCCC#N 62a_100000210314_100000687738 [0,1,0,0,0,0|1,0,1]=3 4146 B11R0.3 CCCCCCSCCCC#N 62a_100000687738_100000210757 [0,1,0,0,0,0|1,0,1]=3 4147 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [0,1,0,0,0,0|0,0,0]=1 4148 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [0,1,0,0,0,0|0,0,0]=1 4149 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [0,1,0,0,0,0|1,0,1]=3 4150 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [0,1,0,0,0,0|1,0,1]=3 4151 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [0,1,0,0,0,0|1,0,1]=3 4152 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [0,1,0,0,0,0|1,0,1]=3 4153 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [0,1,0,0,0,0|0,0,2]=3 4154 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [0,1,0,0,0,0|0,0,2]=3 4155 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [0,1,0,0,0,0|2,0,0]=3 4156 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [0,1,0,0,0,0|2,0,0]=3 4157 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [0,1,0,0,0,0|2,0,1]=4 4158 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [0,1,0,0,0,0|2,0,1]=4 4159 B11R0.3 CCCCCCSCCSC#N 62a_100000034367_100000210757 [0,1,0,0,0,0|2,0,1]=4 4160 B11R0.3 CCCCCCSCCSC#N 62a_100000210314_100000034367 [0,1,0,0,0,0|2,0,1]=4 4161 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [0,1,0,0,0,0|2,0,1]=4 4162 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [0,1,0,0,0,0|2,0,1]=4 4163 B11R0.3 CCCCCNCCCCC#N 2230a_100000209983_100000211819 [0,1,0,0,0,0|1,0,1]=3 4164 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [0,1,0,0,0,0|0,0,0]=1 4165 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [0,1,0,0,0,0|1,0,1]=3 4166 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [0,1,0,0,0,0|0,0,2]=3 4167 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [0,1,0,0,0,0|0,0,2]=3 4168 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [0,1,0,0,0,0|0,0,2]=3 4169 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [0,1,0,0,0,0|2,0,0]=3 4170 B11R0.3 CCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210326 [0,1,0,0,0,0|3,0,0]=4 4171 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [0,1,0,0,0,0|2,0,1]=4 4172 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [0,1,0,0,0,0|2,0,1]=4 4173 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [0,1,0,0,0,0|2,0,1]=4 4174 B11R0.3 CCCCCNCCOCC#N 2230a_100000209983_200000047693 [0,1,0,0,0,0|2,0,1]=4 4175 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [0,1,0,0,0,0|1,0,0]=2 4176 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [0,1,0,0,0,0|2,0,1]=4 4177 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [0,1,0,0,0,0|2,0,1]=4 4178 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [0,1,0,0,0,0|2,0,1]=4 4179 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [0,1,0,0,0,0|2,0,1]=4 4180 B11R0.3 CCCCCNCCOCCF 34a_100000224656_100011217306 [0,1,0,0,0,0|2,0,1]=4 4181 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [0,1,0,0,0,0|1,0,2]=4 4182 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [0,1,0,0,0,0|1,0,2]=4 4183 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [0,1,0,0,0,0|1,0,2]=4 4184 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [0,1,0,0,0,0|1,0,2]=4 4185 B11R0.3 CCCCCNCCOCSC 34a_100000224656_100011218213 [0,1,0,0,0,0|3,0,0]=4 4186 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [0,1,0,0,0,0|2,0,1]=4 4187 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [0,1,0,0,0,0|1,0,2]=4 4188 B11R0.3 CCCCCNCOCCCC 2230a_100000209983_100011995733 [0,1,0,0,0,0|2,0,1]=4 4189 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [0,1,0,0,0,0|3,0,0]=4 4190 B11R0.3 CCCCCOCCCCC#N 7a_100000210253_100000211819 [0,1,0,0,0,0|1,0,1]=3 4191 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [0,1,0,0,0,0|0,0,0]=1 4192 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [0,1,0,0,0,0|1,0,1]=3 4193 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [0,1,0,0,0,0|1,0,1]=3 4194 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [0,1,0,0,0,0|1,0,1]=3 4195 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [0,1,0,0,0,0|1,0,1]=3 4196 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [0,1,0,0,0,0|1,0,1]=3 4197 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [0,1,0,0,0,0|1,0,1]=3 4198 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [0,1,0,0,0,0|1,0,1]=3 4199 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [0,1,0,0,0,0|1,0,1]=3 4200 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [0,1,0,0,0,0|1,0,1]=3 4201 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [0,1,0,0,0,0|0,0,2]=3 4202 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [0,1,0,0,0,0|0,0,2]=3 4203 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [0,1,0,0,0,0|2,0,0]=3 4204 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [0,1,0,0,0,0|2,0,0]=3 4205 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [0,1,0,0,0,0|2,0,0]=3 4206 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [0,1,0,0,0,0|2,0,0]=3 4207 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [0,1,0,0,0,0|2,0,0]=3 4208 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [0,1,0,0,0,0|2,0,1]=4 4209 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [0,1,0,0,0,0|2,0,1]=4 4210 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [0,1,0,0,0,0|2,0,1]=4 4211 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [0,1,0,0,0,0|2,0,1]=4 4212 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [0,1,0,0,0,0|2,0,1]=4 4213 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [0,1,0,0,0,0|2,0,1]=4 4214 B11R0.3 CCCCCOCCOCC#N 7a_100000210253_200000047693 [0,1,0,0,0,0|2,0,1]=4 4215 B11R0.3 CCCCCOCCOCC#N 7a_100011215259_100011215382 [0,1,0,0,0,0|2,0,1]=4 4216 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [0,1,0,0,0,0|1,0,0]=2 4217 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [0,1,0,0,0,0|1,0,0]=2 4218 B11R0.3 CCCCCOCCOCCBr 34a_100000692535_100000718602 [0,1,0,0,0,0|2,0,1]=4 4219 B11R0.3 CCCCCOCCOCCBr 7a_100000692535_100000210326 [0,1,0,0,0,0|2,0,1]=4 4220 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [0,1,0,0,0,0|2,0,1]=4 4221 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [0,1,0,0,0,0|2,0,1]=4 4222 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [0,1,0,0,0,0|2,0,1]=4 4223 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [0,1,0,0,0,0|2,0,1]=4 4224 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [0,1,0,0,0,0|2,0,1]=4 4225 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [0,1,0,0,0,0|2,0,1]=4 4226 B11R0.3 CCCCCOCCOCCCl 34a_100011215305_100000718602 [0,1,0,0,0,0|2,0,1]=4 4227 B11R0.3 CCCCCOCCOCCCl 7a_100011215305_100000210326 [0,1,0,0,0,0|2,0,1]=4 4228 B11R0.3 CCCCCOCCOCCF 34a_100011215259_100011217306 [0,1,0,0,0,0|2,0,1]=4 4229 B11R0.3 CCCCCOCCOCCF 34a_200015357709_100000718602 [0,1,0,0,0,0|2,0,1]=4 4230 B11R0.3 CCCCCOCCOCCF 7a_100011215259_100011217306 [0,1,0,0,0,0|2,0,1]=4 4231 B11R0.3 CCCCCOCCOCCF 7a_200015357709_100000210326 [0,1,0,0,0,0|2,0,1]=4 4232 B11R0.3 CCCCCOCCOCCI 34a_100012149058_100000718602 [0,1,0,0,0,0|2,0,1]=4 4233 B11R0.3 CCCCCOCCOCCI 7a_100012149058_100000210326 [0,1,0,0,0,0|2,0,1]=4 4234 B11R0.3 CCCCCOCCOCCN 34a_100000211614_100000718602 [0,1,0,0,0,0|2,0,1]=4 4235 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [0,1,0,0,0,0|1,0,2]=4 4236 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [0,1,0,0,0,0|1,0,2]=4 4237 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [0,1,0,0,0,0|1,0,2]=4 4238 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [0,1,0,0,0,0|1,0,2]=4 4239 B11R0.3 CCCCCOCCOCSC 34a_100011215259_100011218213 [0,1,0,0,0,0|3,0,0]=4 4240 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [0,1,0,0,0,0|2,0,1]=4 4241 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [0,1,0,0,0,0|2,0,1]=4 4242 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [0,1,0,0,0,0|2,0,1]=4 4243 B11R0.3 CCCCCSCCCCC#N 62a_100000210326_100000211819 [0,1,0,0,0,0|1,0,1]=3 4244 B11R0.3 CCCCCSCCCCC#N 62a_100011219923_100000210326 [0,1,0,0,0,0|1,0,1]=3 4245 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [0,1,0,0,0,0|0,0,0]=1 4246 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [0,1,0,0,0,0|0,0,0]=1 4247 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [0,1,0,0,0,0|1,0,1]=3 4248 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [0,1,0,0,0,0|1,0,1]=3 4249 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [0,1,0,0,0,0|0,0,2]=3 4250 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [0,1,0,0,0,0|0,0,2]=3 4251 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [0,1,0,0,0,0|2,0,0]=3 4252 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [0,1,0,0,0,0|2,0,0]=3 4253 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [0,1,0,0,0,0|2,0,1]=4 4254 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [0,1,0,0,0,0|2,0,1]=4 4255 B11R0.3 CCCCCSCCOCC#N 62a_100000210326_200000047693 [0,1,0,0,0,0|2,0,1]=4 4256 B11R0.3 CCCCCSCCOCC#N 62a_200000047693_100000210326 [0,1,0,0,0,0|2,0,1]=4 4257 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [0,1,0,0,0,0|2,0,1]=4 4258 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [0,1,0,0,0,0|2,0,1]=4 4259 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [0,1,0,0,0,0|1,0,2]=4 4260 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [0,1,0,0,0,0|1,0,2]=4 4261 B11R0.3 CCCCCSCOCCCC 62a_100000210326_100011995733 [0,1,0,0,0,0|2,0,1]=4 4262 B11R0.3 CCCCCSCOCCCC 62a_100011995733_100000210326 [0,1,0,0,0,0|2,0,1]=4 4263 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [0,1,0,0,0,0|3,0,0]=4 4264 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [0,1,0,0,0,0|3,0,0]=4 4265 B11R0.3 CCCCNCCCCCC#N 2230a_100000102301_100009813376 [0,1,0,0,0,0|1,0,1]=3 4266 B11R0.3 CCCCNCCCCCC#N 7a_106832991798_100009813376 [0,1,0,0,0,0|1,0,1]=3 4267 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [0,1,0,0,0,0|0,0,0]=1 4268 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [0,1,0,0,0,0|0,0,0]=1 4269 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [0,1,0,0,0,0|1,0,1]=3 4270 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [0,1,0,0,0,0|1,0,1]=3 4271 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [0,1,0,0,0,0|0,0,2]=3 4272 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [0,1,0,0,0,0|0,0,2]=3 4273 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [0,1,0,0,0,0|0,0,2]=3 4274 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [0,1,0,0,0,0|0,0,2]=3 4275 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [0,1,0,0,0,0|2,0,0]=3 4276 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [0,1,0,0,0,0|2,0,0]=3 4277 B11R0.3 CCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210211 [0,1,0,0,0,0|3,0,0]=4 4278 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [0,1,0,0,0,0|2,0,1]=4 4279 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [0,1,0,0,0,0|2,0,1]=4 4280 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [0,1,0,0,0,0|2,0,1]=4 4281 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [0,1,0,0,0,0|2,0,1]=4 4282 B11R0.3 CCCCNCCOCCCC 2230a_100000102301_100000743108 [0,1,0,0,0,0|2,0,1]=4 4283 B11R0.3 CCCCNCCOCCCC 7a_106832991798_100000743108 [0,1,0,0,0,0|2,0,1]=4 4284 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [0,1,0,0,0,0|3,0,0]=4 4285 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [0,1,0,0,0,0|3,0,0]=4 4286 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [0,1,0,0,0,0|3,0,0]=4 4287 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [0,1,0,0,0,0|3,0,0]=4 4288 B11R0.3 CCCCNCCSCCCC 2230a_100025743550_100000210211 [0,1,0,0,0,0|2,0,1]=4 4289 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [0,1,0,0,0,0|1,0,1]=3 4290 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [0,1,0,0,0,0|0,0,0]=1 4291 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [0,1,0,0,0,0|1,0,1]=3 4292 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [0,1,0,0,0,0|1,0,1]=3 4293 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [0,1,0,0,0,0|1,0,1]=3 4294 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [0,1,0,0,0,0|1,0,1]=3 4295 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [0,1,0,0,0,0|1,0,1]=3 4296 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [0,1,0,0,0,0|1,0,1]=3 4297 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [0,1,0,0,0,0|1,0,1]=3 4298 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [0,1,0,0,0,0|1,0,1]=3 4299 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [0,1,0,0,0,0|1,0,1]=3 4300 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [0,1,0,0,0,0|0,0,2]=3 4301 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [0,1,0,0,0,0|0,0,2]=3 4302 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [0,1,0,0,0,0|2,0,0]=3 4303 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [0,1,0,0,0,0|2,0,1]=4 4304 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [0,1,0,0,0,0|2,0,1]=4 4305 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [0,1,0,0,0,0|2,0,1]=4 4306 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [0,1,0,0,0,0|2,0,1]=4 4307 B11R0.3 CCCCOCCCNCC#N 2230a_200000211371_100011215382 [0,1,0,0,0,0|2,0,1]=4 4308 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [0,1,0,0,0,0|1,0,0]=2 4309 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [0,1,0,0,0,0|1,0,0]=2 4310 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [0,1,0,0,0,0|2,0,1]=4 4311 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [0,1,0,0,0,0|2,0,1]=4 4312 B11R0.3 CCCCOCCCNCCF 2230a_200000211371_100011217306 [0,1,0,0,0,0|2,0,1]=4 4313 B11R0.3 CCCCOCCCNCCF 34a_200000211371_100011217306 [0,1,0,0,0,0|2,0,1]=4 4314 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [0,1,0,0,0,0|1,0,2]=4 4315 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [0,1,0,0,0,0|1,0,2]=4 4316 B11R0.3 CCCCOCCCNCOC 2230a_200000211371_100000766300 [0,1,0,0,0,0|3,0,0]=4 4317 B11R0.3 CCCCOCCCNCSC 2230a_200000211371_100011218213 [0,1,0,0,0,0|3,0,0]=4 4318 B11R0.3 CCCCOCCCNCSC 34a_200000211371_100011218213 [0,1,0,0,0,0|3,0,0]=4 4319 B11R0.3 CCCCOCCCOCC#N 7a_200011215613_100011215382 [0,1,0,0,0,0|2,0,1]=4 4320 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [0,1,0,0,0,0|1,0,0]=2 4321 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [0,1,0,0,0,0|1,0,0]=2 4322 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [0,1,0,0,0,0|2,0,1]=4 4323 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [0,1,0,0,0,0|2,0,1]=4 4324 B11R0.3 CCCCOCCCOCCF 34a_200011215613_100011217306 [0,1,0,0,0,0|2,0,1]=4 4325 B11R0.3 CCCCOCCCOCCF 7a_200011215613_100011217306 [0,1,0,0,0,0|2,0,1]=4 4326 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [0,1,0,0,0,0|1,0,2]=4 4327 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [0,1,0,0,0,0|1,0,2]=4 4328 B11R0.3 CCCCOCCCOCSC 34a_200011215613_100011218213 [0,1,0,0,0,0|3,0,0]=4 4329 B11R0.3 CCCCOCCNCCCF 2230a_100015189416_100000743108 [0,1,0,0,0,0|2,0,1]=4 4330 B11R0.3 CCCCOCCNCCCF 34a_100015189416_100000743108 [0,1,0,0,0,0|2,0,1]=4 4331 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [0,1,0,0,0,0|3,0,0]=4 4332 B11R0.3 CCCCOCCNCCSC 2230a_100020590264_100000743108 [0,1,0,0,0,0|3,0,0]=4 4333 B11R0.3 CCCCOCCOCCC#N 7a_100000210238_100000184422 [0,1,0,0,0,0|2,0,1]=4 4334 B11R0.3 CCCCOCCOCCCBr 34a_100011217188_100000743108 [0,1,0,0,0,0|2,0,1]=4 4335 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [0,1,0,0,0,0|2,0,1]=4 4336 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [0,1,0,0,0,0|2,0,1]=4 4337 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [0,1,0,0,0,0|2,0,1]=4 4338 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [0,1,0,0,0,0|2,0,1]=4 4339 B11R0.3 CCCCOCCOCCCCl 34a_100000230001_100000743108 [0,1,0,0,0,0|2,0,1]=4 4340 B11R0.3 CCCCOCCOCCCF 34a_100000210238_100011934791 [0,1,0,0,0,0|2,0,1]=4 4341 B11R0.3 CCCCOCCOCCCF 34a_100000759539_100000743108 [0,1,0,0,0,0|2,0,1]=4 4342 B11R0.3 CCCCOCCOCCCF 7a_100000210238_100011934791 [0,1,0,0,0,0|2,0,1]=4 4343 B11R0.3 CCCCOCCOCCCN 34a_100000182051_100000743108 [0,1,0,0,0,0|2,0,1]=4 4344 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [0,1,0,0,0,0|1,0,2]=4 4345 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [0,1,0,0,0,0|1,0,2]=4 4346 B11R0.3 CCCCOCCOCCNC 34a_100000228057_100000210210 [0,1,0,0,0,0|3,0,0]=4 4347 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [0,1,0,0,0,0|3,0,0]=4 4348 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [0,1,0,0,0,0|3,0,0]=4 4349 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [0,1,0,0,0,0|3,0,0]=4 4350 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [0,1,0,0,0,0|3,0,0]=4 4351 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [0,1,0,0,0,0|3,0,0]=4 4352 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [0,1,0,0,0,0|3,0,0]=4 4353 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [0,1,0,0,0,0|3,0,0]=4 4354 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [0,1,0,0,0,0|3,0,0]=4 4355 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [0,1,0,0,0,0|3,0,0]=4 4356 B11R0.3 CCCCOCCOCCON 34a_100000700252_100000743108 [0,1,0,0,0,0|3,0,0]=4 4357 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [0,1,0,0,0,0|3,0,0]=4 4358 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [0,1,0,0,0,0|3,0,0]=4 4359 B11R0.3 CCCCOCCOCCSC 34a_100000210238_100000212216 [0,1,0,0,0,0|3,0,0]=4 4360 B11R0.3 CCCCOCCOCCSC 34a_100000230434_100000743108 [0,1,0,0,0,0|3,0,0]=4 4361 B11R0.3 CCCCOCCOCCSC 7a_100000210238_100000212216 [0,1,0,0,0,0|3,0,0]=4 4362 B11R0.3 CCCCOCCOCCSC 7a_100000230434_100000743108 [0,1,0,0,0,0|3,0,0]=4 4363 B11R0.3 CCCCOCCSCCC#N 62a_100000743108_100011215226 [0,1,0,0,0,0|2,0,1]=4 4364 B11R0.3 CCCCOCCSCCC#N 62a_100011215226_100000743108 [0,1,0,0,0,0|2,0,1]=4 4365 B11R0.3 CCCCOCCSCCCC 34a_200000230436_100000210210 [0,1,0,0,0,0|2,0,1]=4 4366 B11R0.3 CCCCOCCSCCCC 62a_100000210211_100000743108 [0,1,0,0,0,0|2,0,1]=4 4367 B11R0.3 CCCCOCCSCCCC 62a_100000743108_100000210210 [0,1,0,0,0,0|2,0,1]=4 4368 B11R0.3 CCCCOCCSCCCC 7a_200000230436_100000210211 [0,1,0,0,0,0|2,0,1]=4 4369 B11R0.3 CCCCOCCSCCCF 62a_100000743108_100011934791 [0,1,0,0,0,0|2,0,1]=4 4370 B11R0.3 CCCCOCCSCCCF 62a_100011934791_100000743108 [0,1,0,0,0,0|2,0,1]=4 4371 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [0,1,0,0,0,0|1,0,2]=4 4372 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [0,1,0,0,0,0|1,0,2]=4 4373 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [0,1,0,0,0,0|3,0,0]=4 4374 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [0,1,0,0,0,0|3,0,0]=4 4375 B11R0.3 CCCCOCCSCCSC 62a_100000212216_100000743108 [0,1,0,0,0,0|3,0,0]=4 4376 B11R0.3 CCCCOCCSCCSC 62a_100000743108_100000751147 [0,1,0,0,0,0|3,0,0]=4 4377 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [0,1,0,0,0,0|1,0,2]=4 4378 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [0,1,0,0,0,0|1,0,2]=4 4379 B11R0.3 CCCCOCNCCCOC 34a_100150723488_100011995733 [0,1,0,0,0,0|3,0,0]=4 4380 B11R0.3 CCCCOCNCCCSC 2230a_100000749238_100011995733 [0,1,0,0,0,0|3,0,0]=4 4381 B11R0.3 CCCCOCOCCCCBr 34a_100011216708_100011995733 [0,1,0,0,0,0|2,0,1]=4 4382 B11R0.3 CCCCOCOCCCCCl 34a_100000210776_100011995733 [0,1,0,0,0,0|2,0,1]=4 4383 B11R0.3 CCCCOCOCCCCF 34a_100011995726_100011995733 [0,1,0,0,0,0|2,0,1]=4 4384 B11R0.3 CCCCOCOCCCCI 34a_200012148704_100011995733 [0,1,0,0,0,0|2,0,1]=4 4385 B11R0.3 CCCCOCOCCCCN 34a_100000750430_100011995733 [0,1,0,0,0,0|2,0,1]=4 4386 B11R0.3 CCCCOCOCCCNC 34a_100000213112_100011995733 [0,1,0,0,0,0|3,0,0]=4 4387 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [0,1,0,0,0,0|3,0,0]=4 4388 B11R0.3 CCCCOCOCCCSC 34a_100000690336_100011995733 [0,1,0,0,0,0|3,0,0]=4 4389 B11R0.3 CCCCOCSCCCC#N 62a_100000687738_100011995733 [0,1,0,0,0,0|2,0,1]=4 4390 B11R0.3 CCCCOCSCCCC#N 62a_100011995733_100000687738 [0,1,0,0,0,0|2,0,1]=4 4391 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [0,1,0,0,0,0|1,0,0]=2 4392 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [0,1,0,0,0,0|1,0,0]=2 4393 B11R0.3 CCCCOCSCCCCF 62a_100000729493_100011995733 [0,1,0,0,0,0|2,0,1]=4 4394 B11R0.3 CCCCOCSCCCCF 62a_100011995733_100000729493 [0,1,0,0,0,0|2,0,1]=4 4395 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [0,1,0,0,0,0|1,0,2]=4 4396 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [0,1,0,0,0,0|1,0,2]=4 4397 B11R0.3 CCCCOCSCCCOC 62a_100000709357_100011995733 [0,1,0,0,0,0|3,0,0]=4 4398 B11R0.3 CCCCOCSCCCOC 62a_100011995733_100000709357 [0,1,0,0,0,0|3,0,0]=4 4399 B11R0.3 CCCCSCCCCCC#N 62a_100000210211_100009813376 [0,1,0,0,0,0|1,0,1]=3 4400 B11R0.3 CCCCSCCCCCC#N 62a_100009813376_100000210210 [0,1,0,0,0,0|1,0,1]=3 4401 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [0,1,0,0,0,0|0,0,0]=1 4402 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [0,1,0,0,0,0|0,0,0]=1 4403 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [0,1,0,0,0,0|1,0,1]=3 4404 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [0,1,0,0,0,0|1,0,1]=3 4405 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [0,1,0,0,0,0|0,0,2]=3 4406 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [0,1,0,0,0,0|0,0,2]=3 4407 B11R0.3 CCCCSCCNCCC#N 2230a_100025743550_100011215226 [0,1,0,0,0,0|2,0,1]=4 4408 B11R0.3 CCCCSCCNCCCF 2230a_100025743550_100011934791 [0,1,0,0,0,0|2,0,1]=4 4409 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [0,1,0,0,0,0|1,0,2]=4 4410 B11R0.3 CCCCSCCNCCOC 2230a_100025743550_100011201679 [0,1,0,0,0,0|3,0,0]=4 4411 B11R0.3 CCCCSCCNCCSC 2230a_100025743550_100000751147 [0,1,0,0,0,0|3,0,0]=4 4412 B11R0.3 CCCCSCCOCCC#N 7a_200000230436_100000184422 [0,1,0,0,0,0|2,0,1]=4 4413 B11R0.3 CCCCSCCOCCCF 34a_200000230436_100011934791 [0,1,0,0,0,0|2,0,1]=4 4414 B11R0.3 CCCCSCCOCCCF 7a_200000230436_100011934791 [0,1,0,0,0,0|2,0,1]=4 4415 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [0,1,0,0,0,0|1,0,2]=4 4416 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [0,1,0,0,0,0|1,0,2]=4 4417 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [0,1,0,0,0,0|3,0,0]=4 4418 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [0,1,0,0,0,0|3,0,0]=4 4419 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [0,1,0,0,0,0|3,0,0]=4 4420 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [0,1,0,0,0,0|3,0,0]=4 4421 B11R0.3 CCCCSCCOCCSC 34a_200000230436_100000212216 [0,1,0,0,0,0|3,0,0]=4 4422 B11R0.3 CCCCSCCOCCSC 7a_200000230436_100000212216 [0,1,0,0,0,0|3,0,0]=4 4423 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [0,1,0,0,0,0|0,0,2]=3 4424 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [0,1,0,0,0,0|0,0,2]=3 4425 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [0,1,0,0,0,0|1,0,2]=4 4426 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [0,1,0,0,0,0|1,0,2]=4 4427 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [0,1,0,0,0,0|3,0,0]=4 4428 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [0,1,0,0,0,0|3,0,0]=4 4429 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [0,1,0,0,0,0|1,0,1]=3 4430 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [0,1,0,0,0,0|1,0,1]=3 4431 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [0,1,0,0,0,0|1,0,1]=3 4432 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [0,1,0,0,0,0|0,0,2]=3 4433 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [0,1,0,0,0,0|2,0,0]=3 4434 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [0,1,0,0,0,0|2,0,0]=3 4435 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [0,1,0,0,0,0|2,0,0]=3 4436 B11R0.3 CCCOCCCNCCC#N 2230a_100011217757_100011215226 [0,1,0,0,0,0|2,0,1]=4 4437 B11R0.3 CCCOCCCNCCCF 2230a_100011217757_100011934791 [0,1,0,0,0,0|2,0,1]=4 4438 B11R0.3 CCCOCCCNCCCF 34a_100011217757_100011934791 [0,1,0,0,0,0|2,0,1]=4 4439 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [0,1,0,0,0,0|1,0,2]=4 4440 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [0,1,0,0,0,0|1,0,2]=4 4441 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [0,1,0,0,0,0|3,0,0]=4 4442 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [0,1,0,0,0,0|3,0,0]=4 4443 B11R0.3 CCCOCCCNCCSC 2230a_100011217757_100000751147 [0,1,0,0,0,0|3,0,0]=4 4444 B11R0.3 CCCOCCCNCCSC 34a_100011217757_100000212216 [0,1,0,0,0,0|3,0,0]=4 4445 B11R0.3 CCCOCCCOCCCN 34a_100011310245_100000210303 [0,1,0,0,0,0|2,0,1]=4 4446 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [0,1,0,0,0,0|3,0,0]=4 4447 B11R0.3 CCCOCCNCCCC#N 2230a_100161115042_100000687738 [0,1,0,0,0,0|2,0,1]=4 4448 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [0,1,0,0,0,0|1,0,0]=2 4449 B11R0.3 CCCOCCNCCCCF 2230a_100161115042_100000729493 [0,1,0,0,0,0|2,0,1]=4 4450 B11R0.3 CCCOCCNCCCCF 34a_100161115042_100000729493 [0,1,0,0,0,0|2,0,1]=4 4451 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [0,1,0,0,0,0|1,0,2]=4 4452 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [0,1,0,0,0,0|1,0,2]=4 4453 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [0,1,0,0,0,0|1,0,2]=4 4454 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [0,1,0,0,0,0|1,0,2]=4 4455 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [0,1,0,0,0,0|3,0,0]=4 4456 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [0,1,0,0,0,0|3,0,0]=4 4457 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [0,1,0,0,0,0|3,0,0]=4 4458 B11R0.3 CCCOCCNCCCSC 2230a_100000749238_100011215938 [0,1,0,0,0,0|3,0,0]=4 4459 B11R0.3 CCCOCCOCCCC#N 7a_100000752267_100000687738 [0,1,0,0,0,0|2,0,1]=4 4460 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [0,1,0,0,0,0|1,0,0]=2 4461 B11R0.3 CCCOCCOCCCCBr 34a_100011216708_100011215938 [0,1,0,0,0,0|2,0,1]=4 4462 B11R0.3 CCCOCCOCCCCCl 34a_100000210776_100011215938 [0,1,0,0,0,0|2,0,1]=4 4463 B11R0.3 CCCOCCOCCCCCl 7a_100000210776_100011215938 [0,1,0,0,0,0|2,0,1]=4 4464 B11R0.3 CCCOCCOCCCCF 34a_100000752267_100000729493 [0,1,0,0,0,0|2,0,1]=4 4465 B11R0.3 CCCOCCOCCCCF 34a_100011995726_100011215938 [0,1,0,0,0,0|2,0,1]=4 4466 B11R0.3 CCCOCCOCCCCF 7a_100000752267_100000729493 [0,1,0,0,0,0|2,0,1]=4 4467 B11R0.3 CCCOCCOCCCCF 7a_100011995726_100011215938 [0,1,0,0,0,0|2,0,1]=4 4468 B11R0.3 CCCOCCOCCCCI 34a_200012148704_100011215938 [0,1,0,0,0,0|2,0,1]=4 4469 B11R0.3 CCCOCCOCCCCN 34a_100000750430_100011215938 [0,1,0,0,0,0|2,0,1]=4 4470 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [0,1,0,0,0,0|1,0,2]=4 4471 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [0,1,0,0,0,0|1,0,2]=4 4472 B11R0.3 CCCOCCOCCCNC 34a_100000213112_100011215938 [0,1,0,0,0,0|3,0,0]=4 4473 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [0,1,0,0,0,0|3,0,0]=4 4474 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [0,1,0,0,0,0|3,0,0]=4 4475 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [0,1,0,0,0,0|3,0,0]=4 4476 B11R0.3 CCCOCCOCCCSC 34a_100000690336_100011215938 [0,1,0,0,0,0|3,0,0]=4 4477 B11R0.3 CCCOCCOCCCSC 7a_100000690336_100011215938 [0,1,0,0,0,0|3,0,0]=4 4478 B11R0.3 CCCOCCSCCCC#N 62a_100000687738_100011215938 [0,1,0,0,0,0|2,0,1]=4 4479 B11R0.3 CCCOCCSCCCC#N 62a_100011215938_100000687738 [0,1,0,0,0,0|2,0,1]=4 4480 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [0,1,0,0,0,0|1,0,0]=2 4481 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [0,1,0,0,0,0|1,0,0]=2 4482 B11R0.3 CCCOCCSCCCCF 62a_100000729493_100011215938 [0,1,0,0,0,0|2,0,1]=4 4483 B11R0.3 CCCOCCSCCCCF 62a_100011215938_100000729493 [0,1,0,0,0,0|2,0,1]=4 4484 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [0,1,0,0,0,0|1,0,2]=4 4485 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [0,1,0,0,0,0|1,0,2]=4 4486 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [0,1,0,0,0,0|3,0,0]=4 4487 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [0,1,0,0,0,0|3,0,0]=4 4488 B11R0.3 CCCSCCCCCCC#N 62a_100000210303_100009813337 [0,1,0,0,0,0|1,0,1]=3 4489 B11R0.3 CCCSCCCCCCC#N 62a_100009813337_100000210303 [0,1,0,0,0,0|1,0,1]=3 4490 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [0,1,0,0,0,0|0,0,2]=3 4491 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [0,1,0,0,0,0|0,0,2]=3 4492 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [0,1,0,0,0,0|2,0,0]=3 4493 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [0,1,0,0,0,0|2,0,0]=3 4494 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [0,1,0,0,0,0|3,0,0]=4 4495 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [0,1,0,0,0,0|3,0,0]=4 4496 B11R0.3 CCCSCCNCCCC#N 2230a_100020603323_100000687738 [0,1,0,0,0,0|2,0,1]=4 4497 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [0,1,0,0,0,0|1,0,0]=2 4498 B11R0.3 CCCSCCNCCCCF 2230a_100020603323_100000729493 [0,1,0,0,0,0|2,0,1]=4 4499 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [0,1,0,0,0,0|1,0,2]=4 4500 B11R0.3 CCCSCCNCCCOC 2230a_100020603323_100000740836 [0,1,0,0,0,0|3,0,0]=4 4501 B11R0.3 CCCSCCOCCCC#N 7a_200000230433_100000687738 [0,1,0,0,0,0|2,0,1]=4 4502 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [0,1,0,0,0,0|1,0,0]=2 4503 B11R0.3 CCCSCCOCCCCF 34a_200000230433_100000729493 [0,1,0,0,0,0|2,0,1]=4 4504 B11R0.3 CCCSCCOCCCCF 7a_200000230433_100000729493 [0,1,0,0,0,0|2,0,1]=4 4505 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [0,1,0,0,0,0|1,0,2]=4 4506 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [0,1,0,0,0,0|1,0,2]=4 4507 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [0,1,0,0,0,0|3,0,0]=4 4508 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [0,1,0,0,0,0|3,0,0]=4 4509 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [0,1,0,0,0,0|0,0,2]=3 4510 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [0,1,0,0,0,0|0,0,2]=3 4511 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [0,1,0,0,0,0|0,0,2]=3 4512 B11R0.3 CCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210202 [0,1,0,0,0,0|3,0,0]=4 4513 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [0,1,0,0,0,0|1,0,1]=3 4514 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [0,1,0,0,0,0|1,0,1]=3 4515 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [0,1,0,0,0,0|1,0,1]=3 4516 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [0,1,0,0,0,0|1,0,1]=3 4517 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [0,1,0,0,0,0|1,0,1]=3 4518 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [0,1,0,0,0,0|0,0,2]=3 4519 B11R0.3 CCOCCCCCNCCN 34a_103619048469_100000210202 [0,1,0,0,0,0|2,0,1]=4 4520 B11R0.3 CCOCCCNCCCC#N 2230a_100000210961_100000687738 [0,1,0,0,0,0|2,0,1]=4 4521 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [0,1,0,0,0,0|1,0,0]=2 4522 B11R0.3 CCOCCCNCCCCF 2230a_100000210961_100000729493 [0,1,0,0,0,0|2,0,1]=4 4523 B11R0.3 CCOCCCNCCCCF 34a_100000210961_100000729493 [0,1,0,0,0,0|2,0,1]=4 4524 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [0,1,0,0,0,0|1,0,2]=4 4525 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [0,1,0,0,0,0|1,0,2]=4 4526 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [0,1,0,0,0,0|1,0,2]=4 4527 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [0,1,0,0,0,0|1,0,2]=4 4528 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [0,1,0,0,0,0|3,0,0]=4 4529 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [0,1,0,0,0,0|3,0,0]=4 4530 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [0,1,0,0,0,0|3,0,0]=4 4531 B11R0.3 CCOCCCNCCCSC 2230a_100000749238_100012232248 [0,1,0,0,0,0|3,0,0]=4 4532 B11R0.3 CCOCCCOCCCC#N 7a_100000757476_100000687738 [0,1,0,0,0,0|2,0,1]=4 4533 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [0,1,0,0,0,0|1,0,0]=2 4534 B11R0.3 CCOCCCOCCCCBr 34a_100011216708_100012232248 [0,1,0,0,0,0|2,0,1]=4 4535 B11R0.3 CCOCCCOCCCCCl 34a_100000210776_100012232248 [0,1,0,0,0,0|2,0,1]=4 4536 B11R0.3 CCOCCCOCCCCCl 7a_100000210776_100012232248 [0,1,0,0,0,0|2,0,1]=4 4537 B11R0.3 CCOCCCOCCCCF 34a_100000757476_100000729493 [0,1,0,0,0,0|2,0,1]=4 4538 B11R0.3 CCOCCCOCCCCF 34a_100011995726_100012232248 [0,1,0,0,0,0|2,0,1]=4 4539 B11R0.3 CCOCCCOCCCCF 7a_100000757476_100000729493 [0,1,0,0,0,0|2,0,1]=4 4540 B11R0.3 CCOCCCOCCCCF 7a_100011995726_100012232248 [0,1,0,0,0,0|2,0,1]=4 4541 B11R0.3 CCOCCCOCCCCI 34a_200012148704_100012232248 [0,1,0,0,0,0|2,0,1]=4 4542 B11R0.3 CCOCCCOCCCCN 34a_100000750430_100012232248 [0,1,0,0,0,0|2,0,1]=4 4543 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [0,1,0,0,0,0|1,0,2]=4 4544 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [0,1,0,0,0,0|1,0,2]=4 4545 B11R0.3 CCOCCCOCCCNC 34a_100000213112_100012232248 [0,1,0,0,0,0|3,0,0]=4 4546 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [0,1,0,0,0,0|3,0,0]=4 4547 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [0,1,0,0,0,0|3,0,0]=4 4548 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [0,1,0,0,0,0|3,0,0]=4 4549 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [0,1,0,0,0,0|3,0,0]=4 4550 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [0,1,0,0,0,0|3,0,0]=4 4551 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [0,1,0,0,0,0|3,0,0]=4 4552 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [0,1,0,0,0,0|3,0,0]=4 4553 B11R0.3 CCOCCCSCCCC#N 62a_100000687738_100012232248 [0,1,0,0,0,0|2,0,1]=4 4554 B11R0.3 CCOCCCSCCCC#N 62a_100012232248_100000687738 [0,1,0,0,0,0|2,0,1]=4 4555 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [0,1,0,0,0,0|1,0,0]=2 4556 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [0,1,0,0,0,0|1,0,0]=2 4557 B11R0.3 CCOCCCSCCCCF 62a_100000729493_100012232248 [0,1,0,0,0,0|2,0,1]=4 4558 B11R0.3 CCOCCCSCCCCF 62a_100012232248_100000729493 [0,1,0,0,0,0|2,0,1]=4 4559 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [0,1,0,0,0,0|1,0,2]=4 4560 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [0,1,0,0,0,0|1,0,2]=4 4561 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [0,1,0,0,0,0|3,0,0]=4 4562 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [0,1,0,0,0,0|3,0,0]=4 4563 B11R0.3 CCOCCNCCCCC#N 2230a_102516460346_100000211819 [0,1,0,0,0,0|2,0,1]=4 4564 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [0,1,0,0,0,0|1,0,0]=2 4565 B11R0.3 CCOCCNCCCCCF 2230a_102516460346_100000729378 [0,1,0,0,0,0|2,0,1]=4 4566 B11R0.3 CCOCCNCCCCCF 34a_102516460346_100000729378 [0,1,0,0,0,0|2,0,1]=4 4567 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [0,1,0,0,0,0|1,0,2]=4 4568 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [0,1,0,0,0,0|1,0,2]=4 4569 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [0,1,0,0,0,0|1,0,2]=4 4570 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [0,1,0,0,0,0|1,0,2]=4 4571 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [0,1,0,0,0,0|3,0,0]=4 4572 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [0,1,0,0,0,0|3,0,0]=4 4573 B11R0.3 CCOCCOCCCCC#N 7a_100000210136_100000211819 [0,1,0,0,0,0|2,0,1]=4 4574 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [0,1,0,0,0,0|1,0,0]=2 4575 B11R0.3 CCOCCOCCCCCBr 34a_100000746331_100000210147 [0,1,0,0,0,0|2,0,1]=4 4576 B11R0.3 CCOCCOCCCCCBr 7a_100000746331_100011215890 [0,1,0,0,0,0|2,0,1]=4 4577 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [0,1,0,0,0,0|2,0,1]=4 4578 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [0,1,0,0,0,0|2,0,1]=4 4579 B11R0.3 CCOCCOCCCCCF 34a_100000210136_100000729378 [0,1,0,0,0,0|2,0,1]=4 4580 B11R0.3 CCOCCOCCCCCF 7a_100000210136_100000729378 [0,1,0,0,0,0|2,0,1]=4 4581 B11R0.3 CCOCCOCCCCCI 34a_200012148887_100000210147 [0,1,0,0,0,0|2,0,1]=4 4582 B11R0.3 CCOCCOCCCCCI 7a_200012148887_100011215890 [0,1,0,0,0,0|2,0,1]=4 4583 B11R0.3 CCOCCOCCCCCN 34a_100000762737_100000210147 [0,1,0,0,0,0|2,0,1]=4 4584 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [0,1,0,0,0,0|1,0,2]=4 4585 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [0,1,0,0,0,0|1,0,2]=4 4586 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [0,1,0,0,0,0|3,0,0]=4 4587 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [0,1,0,0,0,0|3,0,0]=4 4588 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [0,1,0,0,0,0|3,0,0]=4 4589 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [0,1,0,0,0,0|3,0,0]=4 4590 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [0,1,0,0,0,0|3,0,0]=4 4591 B11R0.3 CCOCCOCCNCC=O 2230a_100102712874_200015260668 [0,1,0,0,0,0|2,0,0]=3 4592 B11R0.3 CCOCCOCCNCC=O 34a_100102712874_200009817547 [0,1,0,0,0,0|2,0,0]=3 4593 B11R0.3 CCOCCOCCOCC=O 34a_100000210240_200009817547 [0,1,0,0,0,0|2,0,0]=3 4594 B11R0.3 CCOCCOCCOCC=O 7a_100000210240_200015260668 [0,1,0,0,0,0|2,0,0]=3 4595 B11R0.3 CCOCCOCCSCC=O 62a_100011211534_200015260668 [0,1,0,0,0,0|2,0,0]=3 4596 B11R0.3 CCOCCOCCSCC=O 62a_200015260668_100011211534 [0,1,0,0,0,0|2,0,0]=3 4597 B11R0.3 CCOCCSCCCCC#N 62a_100000210147_100000211819 [0,1,0,0,0,0|2,0,1]=4 4598 B11R0.3 CCOCCSCCCCC#N 62a_100011219923_100011215890 [0,1,0,0,0,0|2,0,1]=4 4599 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [0,1,0,0,0,0|1,0,0]=2 4600 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [0,1,0,0,0,0|1,0,0]=2 4601 B11R0.3 CCOCCSCCCCCF 62a_100000210147_100000729378 [0,1,0,0,0,0|2,0,1]=4 4602 B11R0.3 CCOCCSCCCCCF 62a_100000729378_100011215890 [0,1,0,0,0,0|2,0,1]=4 4603 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [0,1,0,0,0,0|1,0,2]=4 4604 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [0,1,0,0,0,0|1,0,2]=4 4605 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [0,1,0,0,0,0|3,0,0]=4 4606 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [0,1,0,0,0,0|3,0,0]=4 4607 B11R0.3 CCOCSCCCCCC#N 62a_100000739092_100009813376 [0,1,0,0,0,0|2,0,1]=4 4608 B11R0.3 CCOCSCCCCCC#N 62a_100009813376_100000739092 [0,1,0,0,0,0|2,0,1]=4 4609 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [0,1,0,0,0,0|1,0,0]=2 4610 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [0,1,0,0,0,0|1,0,0]=2 4611 B11R0.3 CCOCSCCCCCCF 62a_100000739092_100015922095 [0,1,0,0,0,0|2,0,1]=4 4612 B11R0.3 CCOCSCCCCCCF 62a_100015922095_100000739092 [0,1,0,0,0,0|2,0,1]=4 4613 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [0,1,0,0,0,0|1,0,2]=4 4614 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [0,1,0,0,0,0|1,0,2]=4 4615 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [0,1,0,0,0,0|0,0,2]=3 4616 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [0,1,0,0,0,0|0,0,2]=3 4617 B11R0.3 CCSCCCOCCCC#N 7a_100011216438_100000687738 [0,1,0,0,0,0|2,0,1]=4 4618 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [0,1,0,0,0,0|1,0,0]=2 4619 B11R0.3 CCSCCCOCCCCF 34a_100011216438_100000729493 [0,1,0,0,0,0|2,0,1]=4 4620 B11R0.3 CCSCCCOCCCCF 7a_100011216438_100000729493 [0,1,0,0,0,0|2,0,1]=4 4621 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [0,1,0,0,0,0|1,0,2]=4 4622 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [0,1,0,0,0,0|1,0,2]=4 4623 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [0,1,0,0,0,0|3,0,0]=4 4624 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [0,1,0,0,0,0|3,0,0]=4 4625 B11R0.3 CCSCCNCCCCC#N 2230a_100000106463_100000211819 [0,1,0,0,0,0|2,0,1]=4 4626 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [0,1,0,0,0,0|1,0,0]=2 4627 B11R0.3 CCSCCNCCCCCF 2230a_100000106463_100000729378 [0,1,0,0,0,0|2,0,1]=4 4628 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [0,1,0,0,0,0|1,0,2]=4 4629 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [0,1,0,0,0,0|1,0,2]=4 4630 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [0,1,0,0,0,0|1,0,2]=4 4631 B11R0.3 CCSCCNCCCCOC 2230a_100000106463_100000730899 [0,1,0,0,0,0|3,0,0]=4 4632 B11R0.3 CCSCCOCCCCC#N 7a_100000212035_100000211819 [0,1,0,0,0,0|2,0,1]=4 4633 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [0,1,0,0,0,0|1,0,0]=2 4634 B11R0.3 CCSCCOCCCCCBr 34a_100000746331_100000757381 [0,1,0,0,0,0|2,0,1]=4 4635 B11R0.3 CCSCCOCCCCCBr 7a_100000746331_100000757381 [0,1,0,0,0,0|2,0,1]=4 4636 B11R0.3 CCSCCOCCCCCCl 34a_100000746330_100000757381 [0,1,0,0,0,0|2,0,1]=4 4637 B11R0.3 CCSCCOCCCCCCl 7a_100000746330_100000757381 [0,1,0,0,0,0|2,0,1]=4 4638 B11R0.3 CCSCCOCCCCCF 34a_100000212035_100000729378 [0,1,0,0,0,0|2,0,1]=4 4639 B11R0.3 CCSCCOCCCCCF 7a_100000212035_100000729378 [0,1,0,0,0,0|2,0,1]=4 4640 B11R0.3 CCSCCOCCCCCI 34a_200012148887_100000757381 [0,1,0,0,0,0|2,0,1]=4 4641 B11R0.3 CCSCCOCCCCCI 7a_200012148887_100000757381 [0,1,0,0,0,0|2,0,1]=4 4642 B11R0.3 CCSCCOCCCCCN 34a_100000762737_100000757381 [0,1,0,0,0,0|2,0,1]=4 4643 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [0,1,0,0,0,0|1,0,2]=4 4644 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [0,1,0,0,0,0|1,0,2]=4 4645 B11R0.3 CCSCCOCCCCOC 34a_100000212035_100000755781 [0,1,0,0,0,0|3,0,0]=4 4646 B11R0.3 CCSCCOCCCCOC 34a_100000740925_100000757381 [0,1,0,0,0,0|3,0,0]=4 4647 B11R0.3 CCSCCOCCCCOC 7a_100000212035_100000730899 [0,1,0,0,0,0|3,0,0]=4 4648 B11R0.3 CCSCCOCCCCSC 34a_100011217163_100000757381 [0,1,0,0,0,0|3,0,0]=4 4649 B11R0.3 CCSCCOCCCCSC 7a_100011217163_100000757381 [0,1,0,0,0,0|3,0,0]=4 4650 B11R0.3 CCSCCSCCCCC#N 62a_100000757381_100000211819 [0,1,0,0,0,0|2,0,1]=4 4651 B11R0.3 CCSCCSCCCCC#N 62a_100011219923_100000757381 [0,1,0,0,0,0|2,0,1]=4 4652 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [0,1,0,0,0,0|1,0,0]=2 4653 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [0,1,0,0,0,0|1,0,0]=2 4654 B11R0.3 CCSCCSCCCCCF 62a_100000729378_100000757381 [0,1,0,0,0,0|2,0,1]=4 4655 B11R0.3 CCSCCSCCCCCF 62a_100000757381_100000729378 [0,1,0,0,0,0|2,0,1]=4 4656 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [0,1,0,0,0,0|1,0,2]=4 4657 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [0,1,0,0,0,0|1,0,2]=4 4658 B11R0.3 CCSCCSCCCCOC 62a_100000730899_100000757381 [0,1,0,0,0,0|3,0,0]=4 4659 B11R0.3 CCSCCSCCCCOC 62a_100000757381_100000730899 [0,1,0,0,0,0|3,0,0]=4 4660 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [0,1,0,0,0,0|0,0,2]=3 4661 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [0,1,0,0,0,0|0,0,2]=3 4662 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [0,1,0,0,0,0|0,0,2]=3 4663 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [0,1,0,0,0,0|0,0,2]=3 4664 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [0,1,0,0,0,0|0,0,2]=3 4665 B11R0.3 CNCCCCCOCCCF 34a_100000722520_100011934791 [0,1,0,0,0,0|2,0,1]=4 4666 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [0,1,0,0,0,0|1,0,2]=4 4667 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [0,1,0,0,0,0|3,0,0]=4 4668 B11R0.3 CNCCCCCOCCSC 34a_100000722520_100000212216 [0,1,0,0,0,0|3,0,0]=4 4669 B11R0.3 CNCCCOCCCCCF 34a_100000213112_100000729378 [0,1,0,0,0,0|2,0,1]=4 4670 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [0,1,0,0,0,0|1,0,2]=4 4671 B11R0.3 CNCCCOCCCCOC 34a_100000213112_100000755781 [0,1,0,0,0,0|3,0,0]=4 4672 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [0,1,0,0,0,0|1,0,1]=3 4673 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [0,1,0,0,0,0|1,0,1]=3 4674 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [0,1,0,0,0,0|1,0,1]=3 4675 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [0,1,0,0,0,0|1,0,1]=3 4676 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [0,1,0,0,0,0|1,0,1]=3 4677 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [0,1,0,0,0,0|0,0,2]=3 4678 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [0,1,0,0,0,0|2,0,1]=4 4679 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [0,1,0,0,0,0|1,0,2]=4 4680 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [0,1,0,0,0,0|1,0,2]=4 4681 B11R0.3 COCCCCCCOCC#N 7a_200012092642_100011215382 [0,1,0,0,0,0|2,0,1]=4 4682 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [0,1,0,0,0,0|1,0,0]=2 4683 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [0,1,0,0,0,0|1,0,0]=2 4684 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [0,1,0,0,0,0|2,0,1]=4 4685 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [0,1,0,0,0,0|2,0,1]=4 4686 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [0,1,0,0,0,0|2,0,1]=4 4687 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [0,1,0,0,0,0|2,0,1]=4 4688 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [0,1,0,0,0,0|1,0,2]=4 4689 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [0,1,0,0,0,0|1,0,2]=4 4690 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [0,1,0,0,0,0|3,0,0]=4 4691 B11R0.3 COCCCCCCSCC#N 62a_100011215382_100011998445 [0,1,0,0,0,0|2,0,1]=4 4692 B11R0.3 COCCCCCCSCC#N 62a_100011998445_100011215382 [0,1,0,0,0,0|2,0,1]=4 4693 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [0,1,0,0,0,0|1,0,0]=2 4694 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [0,1,0,0,0,0|1,0,0]=2 4695 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [0,1,0,0,0,0|2,0,1]=4 4696 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [0,1,0,0,0,0|2,0,1]=4 4697 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [0,1,0,0,0,0|1,0,2]=4 4698 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [0,1,0,0,0,0|1,0,2]=4 4699 B11R0.3 COCCCCCCSCOC 62a_100000766300_100011998445 [0,1,0,0,0,0|3,0,0]=4 4700 B11R0.3 COCCCCCCSCOC 62a_100011998445_100000766300 [0,1,0,0,0,0|3,0,0]=4 4701 B11R0.3 COCCCCCCSCSC 62a_100011218213_100011998445 [0,1,0,0,0,0|3,0,0]=4 4702 B11R0.3 COCCCCCCSCSC 62a_100011998445_100011218213 [0,1,0,0,0,0|3,0,0]=4 4703 B11R0.3 COCCCCCNCCC#N 2230a_100000747528_100011215226 [0,1,0,0,0,0|2,0,1]=4 4704 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [0,1,0,0,0,0|2,0,1]=4 4705 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [0,1,0,0,0,0|2,0,1]=4 4706 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [0,1,0,0,0,0|1,0,2]=4 4707 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [0,1,0,0,0,0|1,0,2]=4 4708 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [0,1,0,0,0,0|3,0,0]=4 4709 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [0,1,0,0,0,0|3,0,0]=4 4710 B11R0.3 COCCCCCNCCSC 2230a_100000747528_100000751147 [0,1,0,0,0,0|3,0,0]=4 4711 B11R0.3 COCCCCCNCCSC 34a_100000747528_100000212216 [0,1,0,0,0,0|3,0,0]=4 4712 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [0,1,0,0,0,0|1,0,2]=4 4713 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [0,1,0,0,0,0|1,0,2]=4 4714 B11R0.3 COCCCCNCCCOC 34a_100150723488_100000755781 [0,1,0,0,0,0|3,0,0]=4 4715 B11R0.3 COCCCCNCCCSC 2230a_100000749238_100000730899 [0,1,0,0,0,0|3,0,0]=4 4716 B11R0.3 COCCCCOCCCCBr 34a_100011216708_100000755781 [0,1,0,0,0,0|2,0,1]=4 4717 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [0,1,0,0,0,0|2,0,1]=4 4718 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [0,1,0,0,0,0|2,0,1]=4 4719 B11R0.3 COCCCCOCCCCF 34a_100000740925_100000729493 [0,1,0,0,0,0|2,0,1]=4 4720 B11R0.3 COCCCCOCCCCF 34a_100011995726_100000755781 [0,1,0,0,0,0|2,0,1]=4 4721 B11R0.3 COCCCCOCCCCF 7a_100011995726_100000730899 [0,1,0,0,0,0|2,0,1]=4 4722 B11R0.3 COCCCCOCCCCI 34a_200012148704_100000755781 [0,1,0,0,0,0|2,0,1]=4 4723 B11R0.3 COCCCCOCCCCN 34a_100000750430_100000755781 [0,1,0,0,0,0|2,0,1]=4 4724 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [0,1,0,0,0,0|1,0,2]=4 4725 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [0,1,0,0,0,0|3,0,0]=4 4726 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [0,1,0,0,0,0|3,0,0]=4 4727 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [0,1,0,0,0,0|3,0,0]=4 4728 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [0,1,0,0,0,0|3,0,0]=4 4729 B11R0.3 COCCCCSCCCC#N 62a_100000687738_100000730899 [0,1,0,0,0,0|2,0,1]=4 4730 B11R0.3 COCCCCSCCCC#N 62a_100000730899_100000687738 [0,1,0,0,0,0|2,0,1]=4 4731 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [0,1,0,0,0,0|1,0,0]=2 4732 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [0,1,0,0,0,0|1,0,0]=2 4733 B11R0.3 COCCCCSCCCCF 62a_100000729493_100000730899 [0,1,0,0,0,0|2,0,1]=4 4734 B11R0.3 COCCCCSCCCCF 62a_100000730899_100000729493 [0,1,0,0,0,0|2,0,1]=4 4735 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [0,1,0,0,0,0|1,0,2]=4 4736 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [0,1,0,0,0,0|1,0,2]=4 4737 B11R0.3 COCCCCSCCCOC 62a_100000709357_100000730899 [0,1,0,0,0,0|3,0,0]=4 4738 B11R0.3 COCCCCSCCCOC 62a_100000730899_100000709357 [0,1,0,0,0,0|3,0,0]=4 4739 B11R0.3 COCCCNCCCCCF 34a_100150723488_100000729378 [0,1,0,0,0,0|2,0,1]=4 4740 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [0,1,0,0,0,0|1,0,2]=4 4741 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [0,1,0,0,0,0|1,0,2]=4 4742 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [0,1,0,0,0,0|1,0,2]=4 4743 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [0,1,0,0,0,0|2,0,1]=4 4744 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [0,1,0,0,0,0|2,0,1]=4 4745 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [0,1,0,0,0,0|2,0,1]=4 4746 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [0,1,0,0,0,0|2,0,1]=4 4747 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [0,1,0,0,0,0|2,0,1]=4 4748 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [0,1,0,0,0,0|2,0,1]=4 4749 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [0,1,0,0,0,0|2,0,1]=4 4750 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [0,1,0,0,0,0|2,0,1]=4 4751 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [0,1,0,0,0,0|1,0,2]=4 4752 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [0,1,0,0,0,0|3,0,0]=4 4753 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [0,1,0,0,0,0|3,0,0]=4 4754 B11R0.3 COCCCSCCCCC#N 62a_100000709357_100000211819 [0,1,0,0,0,0|2,0,1]=4 4755 B11R0.3 COCCCSCCCCC#N 62a_100011219923_100000709357 [0,1,0,0,0,0|2,0,1]=4 4756 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [0,1,0,0,0,0|1,0,0]=2 4757 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [0,1,0,0,0,0|1,0,0]=2 4758 B11R0.3 COCCCSCCCCCF 62a_100000709357_100000729378 [0,1,0,0,0,0|2,0,1]=4 4759 B11R0.3 COCCCSCCCCCF 62a_100000729378_100000709357 [0,1,0,0,0,0|2,0,1]=4 4760 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [0,1,0,0,0,0|1,0,2]=4 4761 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [0,1,0,0,0,0|1,0,2]=4 4762 B11R0.3 COCCNCCCCCC#N 2230a_100000209980_100009813376 [0,1,0,0,0,0|2,0,1]=4 4763 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [0,1,0,0,0,0|1,0,0]=2 4764 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [0,1,0,0,0,0|2,0,1]=4 4765 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [0,1,0,0,0,0|1,0,2]=4 4766 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [0,1,0,0,0,0|1,0,2]=4 4767 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [0,1,0,0,0,0|1,0,2]=4 4768 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [0,1,0,0,0,0|2,0,1]=4 4769 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [0,1,0,0,0,0|2,0,1]=4 4770 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [0,1,0,0,0,0|2,0,1]=4 4771 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [0,1,0,0,0,0|2,0,1]=4 4772 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [0,1,0,0,0,0|2,0,1]=4 4773 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [0,1,0,0,0,0|2,0,1]=4 4774 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [0,1,0,0,0,0|2,0,1]=4 4775 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [0,1,0,0,0,0|2,0,1]=4 4776 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [0,1,0,0,0,0|1,0,2]=4 4777 B11R0.3 COCCOCCCNCC=O 2230a_100000206027_200015260668 [0,1,0,0,0,0|2,0,0]=3 4778 B11R0.3 COCCOCCCNCC=O 34a_100000206027_200009817547 [0,1,0,0,0,0|2,0,0]=3 4779 B11R0.3 COCCOCCCSCC=O 62a_100011216529_200015260668 [0,1,0,0,0,0|2,0,0]=3 4780 B11R0.3 COCCOCCCSCC=O 62a_200015260668_100011216529 [0,1,0,0,0,0|2,0,0]=3 4781 B11R0.3 COCCOCSCCCC=O 62a_100000231047_200011292268 [0,1,0,0,0,0|2,0,0]=3 4782 B11R0.3 COCCOCSCCCC=O 62a_200011292268_100000231047 [0,1,0,0,0,0|2,0,0]=3 4783 B11R0.3 COCCSCCCCCC#N 62a_100000233755_100009813376 [0,1,0,0,0,0|2,0,1]=4 4784 B11R0.3 COCCSCCCCCC#N 62a_100009813376_100000233755 [0,1,0,0,0,0|2,0,1]=4 4785 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [0,1,0,0,0,0|1,0,0]=2 4786 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [0,1,0,0,0,0|1,0,0]=2 4787 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [0,1,0,0,0,0|2,0,1]=4 4788 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [0,1,0,0,0,0|2,0,1]=4 4789 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [0,1,0,0,0,0|1,0,2]=4 4790 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [0,1,0,0,0,0|1,0,2]=4 4791 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [0,1,0,0,0,0|1,0,2]=4 4792 B11R0.3 COCSCCCCCCC#N 62a_100000766300_100009813337 [0,1,0,0,0,0|2,0,1]=4 4793 B11R0.3 COCSCCCCCCC#N 62a_100009813337_100000766300 [0,1,0,0,0,0|2,0,1]=4 4794 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [0,1,0,0,0,0|1,0,2]=4 4795 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [0,1,0,0,0,0|1,0,2]=4 4796 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [0,1,0,0,0,0|0,0,2]=3 4797 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [0,1,0,0,0,0|0,0,2]=3 4798 B11R0.3 CSCCCCOCCCC#N 7a_100011217163_100000687738 [0,1,0,0,0,0|2,0,1]=4 4799 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [0,1,0,0,0,0|1,0,0]=2 4800 B11R0.3 CSCCCCOCCCCF 34a_100011217163_100000729493 [0,1,0,0,0,0|2,0,1]=4 4801 B11R0.3 CSCCCCOCCCCF 7a_100011217163_100000729493 [0,1,0,0,0,0|2,0,1]=4 4802 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [0,1,0,0,0,0|1,0,2]=4 4803 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [0,1,0,0,0,0|1,0,2]=4 4804 B11R0.3 CSCCCNCCCCC#N 2230a_100000749238_100000211819 [0,1,0,0,0,0|2,0,1]=4 4805 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [0,1,0,0,0,0|1,0,0]=2 4806 B11R0.3 CSCCCNCCCCCF 2230a_100000749238_100000729378 [0,1,0,0,0,0|2,0,1]=4 4807 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [0,1,0,0,0,0|1,0,2]=4 4808 B11R0.3 CSCCCOCCCCC#N 7a_100000690336_100000211819 [0,1,0,0,0,0|2,0,1]=4 4809 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [0,1,0,0,0,0|1,0,0]=2 4810 B11R0.3 CSCCCOCCCCCF 34a_100000690336_100000729378 [0,1,0,0,0,0|2,0,1]=4 4811 B11R0.3 CSCCCOCCCCCF 7a_100000690336_100000729378 [0,1,0,0,0,0|2,0,1]=4 4812 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [0,1,0,0,0,0|1,0,2]=4 4813 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [0,1,0,0,0,0|1,0,2]=4 4814 B11R0.3 CSCCNCCCCCC#N 2230a_100020590264_100009813376 [0,1,0,0,0,0|2,0,1]=4 4815 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [0,1,0,0,0,0|1,0,0]=2 4816 B11R0.3 CSCCNCCCCCCF 2230a_100020590264_100015922095 [0,1,0,0,0,0|2,0,1]=4 4817 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [0,1,0,0,0,0|1,0,2]=4 4818 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [0,1,0,0,0,0|1,0,2]=4 4819 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [0,1,0,0,0,0|1,0,2]=4 4820 B11R0.3 CSCCOCCCCCC#N 7a_100000230434_100009813376 [0,1,0,0,0,0|2,0,1]=4 4821 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [0,1,0,0,0,0|1,0,0]=2 4822 B11R0.3 CSCCOCCCCCCBr 34a_100011215345_100000212216 [0,1,0,0,0,0|2,0,1]=4 4823 B11R0.3 CSCCOCCCCCCBr 7a_100011215345_100000212216 [0,1,0,0,0,0|2,0,1]=4 4824 B11R0.3 CSCCOCCCCCCCl 34a_100000766143_100000212216 [0,1,0,0,0,0|2,0,1]=4 4825 B11R0.3 CSCCOCCCCCCCl 7a_100000766143_100000212216 [0,1,0,0,0,0|2,0,1]=4 4826 B11R0.3 CSCCOCCCCCCF 34a_100000230434_100015922095 [0,1,0,0,0,0|2,0,1]=4 4827 B11R0.3 CSCCOCCCCCCF 34a_100000732779_100000212216 [0,1,0,0,0,0|2,0,1]=4 4828 B11R0.3 CSCCOCCCCCCF 7a_100000230434_100015922095 [0,1,0,0,0,0|2,0,1]=4 4829 B11R0.3 CSCCOCCCCCCF 7a_100000732779_100000212216 [0,1,0,0,0,0|2,0,1]=4 4830 B11R0.3 CSCCOCCCCCCN 34a_100000686447_100000212216 [0,1,0,0,0,0|2,0,1]=4 4831 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [0,1,0,0,0,0|1,0,2]=4 4832 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [0,1,0,0,0,0|1,0,2]=4 4833 B11R0.3 CSCCSCCCCCC#N 62a_100000212216_100009813376 [0,1,0,0,0,0|2,0,1]=4 4834 B11R0.3 CSCCSCCCCCC#N 62a_100009813376_100000751147 [0,1,0,0,0,0|2,0,1]=4 4835 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [0,1,0,0,0,0|1,0,0]=2 4836 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [0,1,0,0,0,0|1,0,0]=2 4837 B11R0.3 CSCCSCCCCCCF 62a_100000212216_100015922095 [0,1,0,0,0,0|2,0,1]=4 4838 B11R0.3 CSCCSCCCCCCF 62a_100015922095_100000751147 [0,1,0,0,0,0|2,0,1]=4 4839 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [0,1,0,0,0,0|1,0,2]=4 4840 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [0,1,0,0,0,0|1,0,2]=4 4841 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [0,1,0,0,0,0|1,0,2]=4 4842 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [0,1,0,0,0,0|1,0,2]=4 4843 B11R0.3 CSCOCCCCCCCBr 34a_100000760002_100011218213 [0,1,0,0,0,0|2,0,1]=4 4844 B11R0.3 CSCOCCCCCCCN 34a_100011996573_100011218213 [0,1,0,0,0,0|2,0,1]=4 4845 B11R0.3 CSCSCCCCCCC#N 62a_100009813337_100011218213 [0,1,0,0,0,0|2,0,1]=4 4846 B11R0.3 CSCSCCCCCCC#N 62a_100011218213_100009813337 [0,1,0,0,0,0|2,0,1]=4 4847 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [0,1,0,0,0,0|1,0,2]=4 4848 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [0,1,0,0,0,0|1,0,2]=4 4849 B11R0.3 FCCCCCCNCCCF 2230a_100015189416_100015922095 [0,1,0,0,0,0|2,0,1]=4 4850 B11R0.3 FCCCCCCNCCCF 34a_100015189416_100015922095 [0,1,0,0,0,0|2,0,1]=4 4851 B11R0.3 FCCCCCCOCCCBr 34a_100011217188_100015922095 [0,1,0,0,0,0|2,0,1]=4 4852 B11R0.3 FCCCCCCOCCCCl 34a_100000230001_100015922095 [0,1,0,0,0,0|2,0,1]=4 4853 B11R0.3 FCCCCCCOCCCF 34a_100000732779_100011934791 [0,1,0,0,0,0|2,0,1]=4 4854 B11R0.3 FCCCCCCOCCCF 34a_100000759539_100015922095 [0,1,0,0,0,0|2,0,1]=4 4855 B11R0.3 FCCCCCCOCCCF 7a_100000732779_100011934791 [0,1,0,0,0,0|2,0,1]=4 4856 B11R0.3 FCCCCCCSCCCF 62a_100011934791_100015922095 [0,1,0,0,0,0|2,0,1]=4 4857 B11R0.3 FCCCCCCSCCCF 62a_100015922095_100011934791 [0,1,0,0,0,0|2,0,1]=4 4858 B11R0.3 FCCCCCOCCCCBr 34a_100011216708_100000729378 [0,1,0,0,0,0|2,0,1]=4 4859 B11R0.3 FCCCCCOCCCCCl 34a_100000210776_100000729378 [0,1,0,0,0,0|2,0,1]=4 4860 B11R0.3 FCCCCCOCCCCCl 7a_100000210776_100000729378 [0,1,0,0,0,0|2,0,1]=4 4861 B11R0.3 FCCCCCOCCCCF 34a_100011995726_100000729378 [0,1,0,0,0,0|2,0,1]=4 4862 B11R0.3 FCCCCCOCCCCF 7a_100011995726_100000729378 [0,1,0,0,0,0|2,0,1]=4 4863 B11R0.3 FCCCCCOCCCCI 34a_200012148704_100000729378 [0,1,0,0,0,0|2,0,1]=4 4864 B11R0.3 FCCCCCSCCCCF 62a_100000729378_100000729493 [0,1,0,0,0,0|2,0,1]=4 4865 B11R0.3 FCCCCCSCCCCF 62a_100000729493_100000729378 [0,1,0,0,0,0|2,0,1]=4 4866 B11R0.3 FCCCCOCCCCCBr 34a_100000746331_100000729493 [0,1,0,0,0,0|2,0,1]=4 4867 B11R0.3 FCCCCOCCCCCBr 7a_100000746331_100000729493 [0,1,0,0,0,0|2,0,1]=4 4868 B11R0.3 FCCCCOCCCCCCl 34a_100000746330_100000729493 [0,1,0,0,0,0|2,0,1]=4 4869 B11R0.3 FCCCCOCCCCCCl 7a_100000746330_100000729493 [0,1,0,0,0,0|2,0,1]=4 4870 B11R0.3 FCCCCOCCCCCI 34a_200012148887_100000729493 [0,1,0,0,0,0|2,0,1]=4 4871 B11R0.3 FCCCCOCCCCCI 7a_200012148887_100000729493 [0,1,0,0,0,0|2,0,1]=4 4872 B11R0.3 FCCCOCCCCCCBr 34a_100011215345_100011934791 [0,1,0,0,0,0|2,0,1]=4 4873 B11R0.3 FCCCOCCCCCCBr 7a_100011215345_100011934791 [0,1,0,0,0,0|2,0,1]=4 4874 B11R0.3 FCCCOCCCCCCCl 34a_100000766143_100011934791 [0,1,0,0,0,0|2,0,1]=4 4875 B11R0.3 FCCCOCCCCCCCl 7a_100000766143_100011934791 [0,1,0,0,0,0|2,0,1]=4 4876 B11R0.3 FCCOCCCCCCCBr 34a_100000760002_100011217306 [0,1,0,0,0,0|2,0,1]=4 4877 B11R0.3 FCCOCCCCCCCBr 7a_100000760002_100011217306 [0,1,0,0,0,0|2,0,1]=4 4878 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [0,1,0,0,0,0|2,0,1]=4 4879 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [0,1,0,0,0,0|2,0,1]=4 4880 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [0,1,0,0,0,0|2,0,1]=4 4881 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [0,1,0,0,0,0|2,0,1]=4 4882 B11R0.3 N#CCCCCCCNCCO 2230a_100016997473_100009813337 [0,1,0,0,0,0|2,0,1]=4 4883 B11R0.3 N#CCCCCCCSCC=O 62a_100009813337_200015260668 [0,1,0,0,0,0|1,0,1]=3 4884 B11R0.3 N#CCCCCCCSCC=O 62a_200015260668_100009813337 [0,1,0,0,0,0|1,0,1]=3 4885 B11R0.3 N#CCCCCCCSCCF 62a_100009813337_100011217306 [0,1,0,0,0,0|2,0,1]=4 4886 B11R0.3 N#CCCCCCCSCCF 62a_100011217306_100009813337 [0,1,0,0,0,0|2,0,1]=4 4887 B11R0.3 N#CCCCCCCSCCO 62a_100000211926_100009813337 [0,1,0,0,0,0|2,0,1]=4 4888 B11R0.3 N#CCCCCCCSCCO 62a_100009813337_100000211926 [0,1,0,0,0,0|2,0,1]=4 4889 B11R0.3 N#CCCCCCNCCCF 2230a_100015189416_100009813376 [0,1,0,0,0,0|2,0,1]=4 4890 B11R0.3 N#CCCCCCSCCCF 62a_100009813376_100011934791 [0,1,0,0,0,0|2,0,1]=4 4891 B11R0.3 N#CCCCCCSCCCF 62a_100011934791_100009813376 [0,1,0,0,0,0|2,0,1]=4 4892 B11R0.3 N#CCCCCCSCCCO 62a_100009813376_100011215043 [0,1,0,0,0,0|2,0,1]=4 4893 B11R0.3 N#CCCCCCSCCCO 62a_100011215043_100009813376 [0,1,0,0,0,0|2,0,1]=4 4894 B11R0.3 N#CCCCCNCCCCO 2230a_100000750430_100000211819 [0,1,0,0,0,0|2,0,1]=4 4895 B11R0.3 N#CCCCCOCCCCCl 7a_100000210776_100000211819 [0,1,0,0,0,0|2,0,1]=4 4896 B11R0.3 N#CCCCCOCCCCF 7a_100011995726_100000211819 [0,1,0,0,0,0|2,0,1]=4 4897 B11R0.3 N#CCCCCSCCCC=O 62a_100011219923_200011292268 [0,1,0,0,0,0|1,0,1]=3 4898 B11R0.3 N#CCCCCSCCCC=O 62a_200011292268_100000211819 [0,1,0,0,0,0|1,0,1]=3 4899 B11R0.3 N#CCCCCSCCCCF 62a_100000729493_100000211819 [0,1,0,0,0,0|2,0,1]=4 4900 B11R0.3 N#CCCCCSCCCCF 62a_100011219923_100000729493 [0,1,0,0,0,0|2,0,1]=4 4901 B11R0.3 N#CCCCCSCCCCO 62a_100000210776_100000211819 [0,1,0,0,0,0|2,0,1]=4 4902 B11R0.3 N#CCCCCSCCCCO 62a_100011219923_100000210776 [0,1,0,0,0,0|2,0,1]=4 4903 B11R0.3 N#CCCCNCCCCCO 2230a_100000762737_100000687738 [0,1,0,0,0,0|2,0,1]=4 4904 B11R0.3 N#CCCCOCCCCCBr 7a_100000746331_100000687738 [0,1,0,0,0,0|2,0,1]=4 4905 B11R0.3 N#CCCCOCCCCCCl 7a_100000746330_100000687738 [0,1,0,0,0,0|2,0,1]=4 4906 B11R0.3 N#CCCCOCCCCCI 7a_200012148887_100000687738 [0,1,0,0,0,0|2,0,1]=4 4907 B11R0.3 N#CCCCSCCCCC=O 62a_100000139335_100000687738 [0,1,0,0,0,0|1,0,1]=3 4908 B11R0.3 N#CCCCSCCCCC=O 62a_100000687738_100000139335 [0,1,0,0,0,0|1,0,1]=3 4909 B11R0.3 N#CCCCSCCCCCF 62a_100000687738_100000729378 [0,1,0,0,0,0|2,0,1]=4 4910 B11R0.3 N#CCCCSCCCCCF 62a_100000729378_100000687738 [0,1,0,0,0,0|2,0,1]=4 4911 B11R0.3 N#CCCCSCCCCCO 62a_100000687738_100000746330 [0,1,0,0,0,0|2,0,1]=4 4912 B11R0.3 N#CCCCSCCCCCO 62a_100000746330_100000687738 [0,1,0,0,0,0|2,0,1]=4 4913 B11R0.3 N#CCCNCCCCCCO 2230a_100000686447_100011215226 [0,1,0,0,0,0|2,0,1]=4 4914 B11R0.3 N#CCCOCCCCCCBr 7a_100011215345_100000184422 [0,1,0,0,0,0|2,0,1]=4 4915 B11R0.3 N#CCCOCCCCCCCl 7a_100000766143_100000184422 [0,1,0,0,0,0|2,0,1]=4 4916 B11R0.3 N#CCCOCCCCCCF 7a_100000732779_100000184422 [0,1,0,0,0,0|2,0,1]=4 4917 B11R0.3 N#CCCSCCCCCC=O 62a_100000139337_100011215226 [0,1,0,0,0,0|1,0,1]=3 4918 B11R0.3 N#CCCSCCCCCC=O 62a_100011215226_100000139337 [0,1,0,0,0,0|1,0,1]=3 4919 B11R0.3 N#CCCSCCCCCCF 62a_100011215226_100015922095 [0,1,0,0,0,0|2,0,1]=4 4920 B11R0.3 N#CCCSCCCCCCF 62a_100015922095_100011215226 [0,1,0,0,0,0|2,0,1]=4 4921 B11R0.3 N#CCCSCCCCCCO 62a_100000766143_100011215226 [0,1,0,0,0,0|2,0,1]=4 4922 B11R0.3 N#CCCSCCCCCCO 62a_100011215226_100000766143 [0,1,0,0,0,0|2,0,1]=4 4923 B11R0.3 N#CCNCCCCCCCO 2230a_100011996573_100011215382 [0,1,0,0,0,0|2,0,1]=4 4924 B11R0.3 N#CCOCCCCCCCBr 7a_100000760002_100011215382 [0,1,0,0,0,0|2,0,1]=4 4925 B11R0.3 N#CCOCCSCCCC=O 62a_200000047693_200011292268 [0,1,0,0,0,0|2,0,1]=4 4926 B11R0.3 N#CCOCCSCCCC=O 62a_200011292268_200000047693 [0,1,0,0,0,0|2,0,1]=4 4927 B11R0.3 N#CCSCCCCCCCO 62a_100000760002_100011215382 [0,1,0,0,0,0|2,0,1]=4 4928 B11R0.3 N#CCSCCCCCCCO 62a_100011215382_100000760002 [0,1,0,0,0,0|2,0,1]=4 4929 B11R0.3 N#CSCCSCCCCC=O 62a_100000034367_100000139335 [0,1,0,0,0,0|2,0,1]=4 4930 B11R0.3 N#CSCCSCCCCC=O 62a_100000139335_100000034367 [0,1,0,0,0,0|2,0,1]=4 4931 B11R0.3 N#CSCSCCCCCC=O 62a_100000139337_100000211825 [0,1,0,0,0,0|2,0,1]=4 4932 B11R0.3 N#CSCSCCCCCC=O 62a_100000211825_100000139337 [0,1,0,0,0,0|2,0,1]=4 4933 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [0,1,0,0,0,0|2,0,1]=4 4934 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [0,1,0,0,0,0|1,0,0]=2 4935 B11R0.3 NCCCCCCCOCCF 34a_100011996573_100011217306 [0,1,0,0,0,0|2,0,1]=4 4936 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [0,1,0,0,0,0|1,0,2]=4 4937 B11R0.3 NCCCCCCOCCCF 34a_100000686447_100011934791 [0,1,0,0,0,0|2,0,1]=4 4938 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [0,1,0,0,0,0|1,0,2]=4 4939 B11R0.3 NCCCCCOCCCCF 34a_100000762737_100000729493 [0,1,0,0,0,0|2,0,1]=4 4940 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [0,1,0,0,0,0|1,0,2]=4 4941 B11R0.3 NCCCCOCCCCCF 34a_100000750430_100000729378 [0,1,0,0,0,0|2,0,1]=4 4942 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [0,1,0,0,0,0|1,0,2]=4 4943 B11R0.3 NCCCOCCCCCCF 34a_100000182051_100015922095 [0,1,0,0,0,0|2,0,1]=4 4944 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [0,1,0,0,0,0|1,0,2]=4 4945 B11R0.3 NCCCOCCCOCC=O 34a_100011310245_200009817547 [0,1,0,0,0,0|2,0,0]=3 4946 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [0,1,0,0,0,0|1,0,2]=4 4947 B11R0.3 NOCCOCCCCCCF 34a_100000700252_100015922095 [0,1,0,0,0,0|3,0,0]=4 4948 B11R0.3 NOCCOCCCCCCO 34a_100000700252_100000766143 [0,1,0,0,0,0|3,0,0]=4 4949 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [0,1,0,0,0,0|1,0,0]=2 4950 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [0,1,0,0,0,0|1,0,0]=2 4951 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [0,1,0,0,0,0|1,0,0]=2 4952 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [0,1,0,0,0,0|1,0,0]=2 4953 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [0,1,0,0,0,0|1,0,0]=2 4954 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [0,1,0,0,0,0|1,0,0]=2 4955 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [0,1,0,0,0,0|1,0,0]=2 4956 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [0,1,0,0,0,0|1,0,0]=2 4957 B11R0.3 O=CCCCCSCC#CCO 62a_100000139335_200000047223 [0,1,0,0,0,0|1,0,2]=4 4958 B11R0.3 O=CCCCCSCC#CCO 62a_200000047223_100000139335 [0,1,0,0,0,0|1,0,2]=4 4959 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [0,1,0,0,0,0|1,0,1]=3 4960 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [0,1,0,0,0,0|1,0,1]=3 4961 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [0,1,0,0,0,0|1,0,0]=2 4962 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [0,1,0,0,0,0|1,0,0]=2 4963 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [0,1,0,0,0,0|1,0,0]=2 4964 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [0,1,0,0,0,0|1,0,0]=2 4965 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [0,1,0,0,0,0|1,0,0]=2 4966 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [0,1,0,0,0,0|2,0,0]=3 4967 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [0,1,0,0,0,0|2,0,0]=3 4968 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [0,1,0,0,0,0|1,0,0]=2 4969 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [0,1,0,0,0,0|1,0,0]=2 4970 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [0,1,0,0,0,0|1,0,0]=2 4971 B11R0.3 O=CCCCOCCOCCBr 7a_100000692535_200011292268 [0,1,0,0,0,0|2,0,0]=3 4972 B11R0.3 O=CCCCOCCOCCCl 7a_100011215305_200011292268 [0,1,0,0,0,0|2,0,0]=3 4973 B11R0.3 O=CCCCOCCOCCF 7a_200015357709_200011292268 [0,1,0,0,0,0|2,0,0]=3 4974 B11R0.3 O=CCCCOCCOCCI 7a_100012149058_200011292268 [0,1,0,0,0,0|2,0,0]=3 4975 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [0,1,0,0,0,0|1,0,0]=2 4976 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [0,1,0,0,0,0|1,0,0]=2 4977 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [0,1,0,0,0,0|1,0,0]=2 4978 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [0,1,0,0,0,0|1,0,0]=2 4979 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [0,1,0,0,0,0|2,0,0]=3 4980 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [0,1,0,0,0,0|2,0,0]=3 4981 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [0,1,0,0,0,0|1,0,0]=2 4982 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [0,1,0,0,0,0|1,0,0]=2 4983 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [0,1,0,0,0,0|2,0,0]=3 4984 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [0,1,0,0,0,0|2,0,0]=3 4985 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [0,1,0,0,0,0|1,0,0]=2 4986 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [0,1,0,0,0,0|1,0,0]=2 4987 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [0,1,0,0,0,0|1,0,0]=2 4988 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [0,1,0,0,0,0|1,0,0]=2 4989 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [0,1,0,0,0,0|1,0,2]=4 4990 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [0,1,0,0,0,0|1,0,2]=4 4991 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [0,1,0,0,0,0|1,0,2]=4 4992 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [0,1,0,0,0,0|1,0,2]=4 4993 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [0,1,0,0,0,0|1,0,2]=4 4994 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [0,1,0,0,0,0|1,0,2]=4 4995 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [0,1,0,0,0,0|1,0,2]=4 4996 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [0,1,0,0,0,0|1,0,2]=4 4997 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [0,1,0,0,0,0|1,0,2]=4 4998 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [0,1,0,0,0,0|1,0,2]=4 4999 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [0,1,0,0,0,0|1,0,2]=4 5000 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [0,1,0,0,0,0|1,0,2]=4 5001 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [0,1,0,0,0,0|1,0,2]=4 5002 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [0,1,0,0,0,0|1,0,2]=4 5003 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [0,1,0,0,0,0|1,0,2]=4 5004 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [0,1,0,0,0,0|1,0,2]=4 5005 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [0,1,0,0,0,0|1,0,2]=4 5006 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [0,1,0,0,0,0|1,0,2]=4 5007 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [0,1,0,0,0,0|1,0,2]=4 5008 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [0,1,0,0,0,0|1,0,2]=4 5009 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [0,1,0,0,0,0|1,0,2]=4 5010 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [0,1,0,0,0,0|1,0,2]=4 5011 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [0,1,0,0,0,0|1,0,2]=4 5012 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [0,1,0,0,0,0|1,0,2]=4 5013 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [0,1,0,0,0,0|1,0,2]=4 5014 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [0,1,0,0,0,0|1,0,2]=4 5015 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [0,1,0,0,0,0|1,0,2]=4 5016 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [0,1,0,0,0,0|1,0,2]=4 5017 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [0,1,0,0,0,0|1,0,2]=4 5018 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [0,1,0,0,0,0|1,0,2]=4 5019 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [0,1,0,0,0,0|1,0,2]=4 5020 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [0,1,0,0,0,0|1,0,2]=4 5021 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [0,1,0,0,0,0|1,0,2]=4 5022 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [0,1,0,0,0,0|1,0,2]=4 5023 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [0,1,0,0,0,0|1,0,2]=4 5024 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [0,1,0,0,0,0|1,0,2]=4 5025 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [0,1,0,0,0,0|1,0,2]=4 5026 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [0,1,0,0,0,0|1,0,2]=4 5027 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [0,1,0,0,0,0|1,0,2]=4 5028 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [0,1,0,0,0,0|1,0,2]=4 5029 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [0,1,0,0,0,0|1,0,2]=4 5030 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [0,1,0,0,0,0|1,0,2]=4 5031 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [0,1,0,0,0,0|1,0,2]=4 5032 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [0,1,0,0,0,0|1,0,2]=4 5033 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [0,1,0,0,0,0|1,0,2]=4 5034 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [0,1,0,0,0,0|1,0,2]=4 5035 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [0,1,0,0,0,0|1,0,2]=4 5036 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [0,1,0,0,0,0|1,0,2]=4 5037 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [0,1,0,0,0,0|1,0,2]=4 5038 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [0,1,0,0,0,0|1,0,2]=4 5039 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [0,1,0,0,0,0|1,0,2]=4 5040 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [0,1,0,0,0,0|1,0,2]=4 5041 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [0,1,0,0,0,0|1,0,2]=4 5042 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [0,1,0,0,0,0|1,0,2]=4 5043 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [0,1,0,0,0,0|1,0,2]=4 5044 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [0,1,0,0,0,0|1,0,2]=4 5045 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [0,1,0,0,0,0|1,0,2]=4 5046 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [0,1,0,0,0,0|1,0,2]=4 5047 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [0,1,0,0,0,0|1,0,2]=4 5048 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [0,1,0,0,0,0|1,0,2]=4 5049 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [0,1,0,0,0,0|1,0,2]=4 5050 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [0,1,0,0,0,0|1,0,2]=4 5051 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [0,1,0,0,0,0|1,0,2]=4 5052 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [0,1,0,0,0,0|1,0,2]=4 5053 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [0,1,0,0,0,0|0,0,2]=3 5054 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [0,1,0,0,0,0|0,0,2]=3 5055 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [0,1,0,0,0,0|1,0,1]=3 5056 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [0,1,0,0,0,0|1,0,1]=3 5057 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [0,1,0,0,0,0|1,0,1]=3 5058 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [0,1,0,0,0,0|1,0,1]=3 5059 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [0,1,0,0,0,0|1,0,1]=3 5060 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [0,1,0,0,0,0|0,0,2]=3 5061 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [0,1,0,0,0,0|0,0,2]=3 5062 B11R0.3 [N-]=[N+]=NCCCNCCCC=O 2230a_100000744732_200011292268 [0,1,0,0,0,0|3,0,0]=4 5063 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,1,0,0,0,0|1,0,2]=4 5064 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,1,0,0,0,0|1,0,2]=4 5065 B11R0.4 C#CCC(C)OCCCCC=O 7a_100000685586_100000139335 [0,1,0,0,0,0|1,0,2]=4 5066 B11R0.4 C#CCC(C)OCCCCCC 34a_100000685586_100000210314 [0,1,0,0,0,0|2,0,1]=4 5067 B11R0.4 C#CCC(C)OCCCCCC 7a_100000685586_100000210314 [0,1,0,0,0,0|2,0,1]=4 5068 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,1,0,0,0,0|1,0,2]=4 5069 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,1,0,0,0,0|1,0,2]=4 5070 B11R0.4 C#CCCCCCN(C)CCC 2230a_100000747261_100012094781 [0,1,0,0,0,0|2,0,1]=4 5071 B11R0.4 C#CCCCCCN(C)CCC 269982a_100000747261_100012094781 [0,1,0,0,0,0|2,0,1]=4 5072 B11R0.4 C#CCCCCNC(C)CCC 2230a_100000706060_100000766640 [0,1,0,0,0,0|2,0,1]=4 5073 B11R0.4 C#CCCCCNC(C)CCC 2230a_100000741246_100010269958 [0,1,0,0,0,0|2,0,1]=4 5074 B11R0.4 C#CCCCCNC(C)CCC 34a_100000706060_100000766640 [0,1,0,0,0,0|2,0,1]=4 5075 B11R0.4 C#CCCCCOC(C)CCC 34a_100000764384_100010269958 [0,1,0,0,0,0|2,0,1]=4 5076 B11R0.4 C#CCCCCOC(C)CCC 34a_100000766709_100000766640 [0,1,0,0,0,0|2,0,1]=4 5077 B11R0.4 C#CCCCCOC(C)CCC 7a_100000764384_100010269958 [0,1,0,0,0,0|2,0,1]=4 5078 B11R0.4 C#CCCCCOC(C)CCC 7a_100000766709_100000766640 [0,1,0,0,0,0|2,0,1]=4 5079 B11R0.4 C#CCCCCSC(C)CCC 62a_100000766640_100010269958 [0,1,0,0,0,0|2,0,1]=4 5080 B11R0.4 C#CCCCCSC(C)CCC 62a_100010269958_100000766640 [0,1,0,0,0,0|2,0,1]=4 5081 B11R0.4 C#CCCCNCC(C)CCC 270004a_100000718082_100000243154 [0,1,0,0,0,0|2,0,1]=4 5082 B11R0.4 C#CCCCNCC(C)CCC 34a_100000718082_100011216630 [0,1,0,0,0,0|2,0,1]=4 5083 B11R0.4 C#CCCCOCC(C)CCC 34a_100000215630_100011216630 [0,1,0,0,0,0|2,0,1]=4 5084 B11R0.4 C#CCCCOCC(C)CCC 34a_100000688023_100000695029 [0,1,0,0,0,0|2,0,1]=4 5085 B11R0.4 C#CCCCOCC(C)CCC 7a_100000215630_100011216630 [0,1,0,0,0,0|2,0,1]=4 5086 B11R0.4 C#CCCCOCC(C)CCC 7a_100000688023_100011215417 [0,1,0,0,0,0|2,0,1]=4 5087 B11R0.4 C#CCCCOC[C@@H](N)CCC 34a_100000732646_100000695029 [0,1,0,0,0,0|2,0,1]=4 5088 B11R0.4 C#CCCCSCC(C)CCC 62a_100011215417_100011216630 [0,1,0,0,0,0|2,0,1]=4 5089 B11R0.4 C#CCCCSCC(C)CCC 62a_100011216630_100011215417 [0,1,0,0,0,0|2,0,1]=4 5090 B11R0.4 C#CCCOCCC(C)CCC 34a_100011217855_100000688953 [0,1,0,0,0,0|2,0,1]=4 5091 B11R0.4 C#CCCOCCC(C)CCC 7a_100011217855_100000688953 [0,1,0,0,0,0|2,0,1]=4 5092 B11R0.4 C#CCCOCC[C@@H](N)CCC 34a_100015193777_100000688953 [0,1,0,0,0,0|2,0,1]=4 5093 B11R0.4 C#CCN(C)CCCCCC=O 2230a_100000225692_100000139337 [0,1,0,0,0,0|1,0,2]=4 5094 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000225692_100000210681 [0,1,0,0,0,0|2,0,1]=4 5095 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000228206_100000038162 [0,1,0,0,0,0|2,0,1]=4 5096 B11R0.4 C#CCN(C)CCCCCCC 34a_100000225692_100000210614 [0,1,0,0,0,0|2,0,1]=4 5097 B11R0.4 C#CCOCCCC(C)CCC 34a_100011713154_100000184674 [0,1,0,0,0,0|2,0,1]=4 5098 B11R0.4 C#CCOCCCC(C)CCC 7a_100011713154_100000038162 [0,1,0,0,0,0|2,0,1]=4 5099 B11R0.4 C/C=C/C(C)OCCCCCC 34a_200102604097_100000210314 [0,1,0,0,0,0|2,0,1]=4 5100 B11R0.4 C/C=C/CCOCC(C)CCC 34a_100016278192_100011216630 [0,1,0,0,0,0|2,0,1]=4 5101 B11R0.4 C/C=C/COCCC(C)CCC 34a_100011217855_100102629194 [0,1,0,0,0,0|2,0,1]=4 5102 B11R0.4 C/C=C/COCCC(C)CCC 7a_100011217855_100102629194 [0,1,0,0,0,0|2,0,1]=4 5103 B11R0.4 C/C=C/COCC[C@@H](N)CCC 34a_100015193777_100102629194 [0,1,0,0,0,0|2,0,1]=4 5104 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,1,0,0,0,0|1,0,1]=3 5105 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,1,0,0,0,0|1,0,1]=3 5106 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [0,1,0,0,0,0|2,0,1]=4 5107 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,1,0,0,0,0|2,0,1]=4 5108 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,1,0,0,0,0|2,0,1]=4 5109 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [0,1,0,0,0,0|2,0,1]=4 5110 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [0,1,0,0,0,0|2,0,1]=4 5111 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [0,1,0,0,0,0|2,0,1]=4 5112 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [0,1,0,0,0,0|2,0,1]=4 5113 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [0,1,0,0,0,0|2,0,1]=4 5114 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [0,1,0,0,0,0|2,0,1]=4 5115 B11R0.4 C=CCC(C)COCCCC=O 7a_100009832082_200011292268 [0,1,0,0,0,0|1,0,2]=4 5116 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [0,1,0,0,0,0|2,0,0]=3 5117 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [0,1,0,0,0,0|2,0,0]=3 5118 B11R0.4 C=CCC(C)COCCCCF 34a_100009832082_100000729493 [0,1,0,0,0,0|3,0,0]=4 5119 B11R0.4 C=CCC(C)COCCCCF 7a_100009832082_100000729493 [0,1,0,0,0,0|3,0,0]=4 5120 B11R0.4 C=CCC(C)COCCCCO 34a_100009832082_100011216708 [0,1,0,0,0,0|3,0,0]=4 5121 B11R0.4 C=CCC(C)COCCCCO 7a_100009832082_100000210776 [0,1,0,0,0,0|3,0,0]=4 5122 B11R0.4 C=CCC(C)COCCCOC 34a_100009832082_100000740836 [0,1,0,0,0,0|3,0,0]=4 5123 B11R0.4 C=CCC(C)COCCCOC 7a_100009832082_100000740836 [0,1,0,0,0,0|3,0,0]=4 5124 B11R0.4 C=CCC(C)COCCOCC 34a_100009832082_100000210147 [0,1,0,0,0,0|3,0,0]=4 5125 B11R0.4 C=CCC(C)COCCOCC 7a_100009832082_100011215890 [0,1,0,0,0,0|3,0,0]=4 5126 B11R0.4 C=CCC(C)COCCSCC 34a_100009832082_100000757381 [0,1,0,0,0,0|3,0,0]=4 5127 B11R0.4 C=CCC(C)COCCSCC 7a_100009832082_100000757381 [0,1,0,0,0,0|3,0,0]=4 5128 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,1,0,0,0,0|1,0,1]=3 5129 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,1,0,0,0,0|1,0,1]=3 5130 B11R0.4 C=CCCCCCC(=O)CCF 1458a_100011934241_100011217306 [0,1,0,0,0,0|2,0,1]=4 5131 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,1,0,0,0,0|2,0,1]=4 5132 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,1,0,0,0,0|2,0,1]=4 5133 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [0,1,0,0,0,0|2,0,1]=4 5134 B11R0.4 C=CCCCCCC(=O)CSC 1458a_100000184570_100000700193 [0,1,0,0,0,0|2,0,1]=4 5135 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [0,1,0,0,0,0|2,0,1]=4 5136 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [0,1,0,0,0,0|2,0,1]=4 5137 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [0,1,0,0,0,0|2,0,1]=4 5138 B11R0.4 C=CCCCCCN(C)CCC 2230a_100000747261_100000700193 [0,1,0,0,0,0|2,0,0]=3 5139 B11R0.4 C=CCCCCCN(C)CCC 269982a_100000747261_100000700193 [0,1,0,0,0,0|2,0,0]=3 5140 B11R0.4 C=CCCCCCN(C)CCO 2230a_100000210263_100000700193 [0,1,0,0,0,0|3,0,0]=4 5141 B11R0.4 C=CCCCCCN(C)CCO 269982a_100000210263_100000700193 [0,1,0,0,0,0|3,0,0]=4 5142 B11R0.4 C=CCCCCNC(=O)CCC 11a_100000703577_100000211992 [0,1,0,0,0,0|2,0,1]=4 5143 B11R0.4 C=CCCCCNC(=O)CCC 1626a_100000703577_100000211992 [0,1,0,0,0,0|2,0,1]=4 5144 B11R0.4 C=CCCCCNC(=O)CCC 240690a_100000703577_100000211992 [0,1,0,0,0,0|2,0,1]=4 5145 B11R0.4 C=CCCCCNC(=O)CCC 527a_100000703577_100000211992 [0,1,0,0,0,0|2,0,1]=4 5146 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000703577_100000766640 [0,1,0,0,0,0|2,0,0]=3 5147 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000741246_100011215482 [0,1,0,0,0,0|2,0,0]=3 5148 B11R0.4 C=CCCCCNC(C)CCC 270004a_100000703577_100000211909 [0,1,0,0,0,0|2,0,0]=3 5149 B11R0.4 C=CCCCCNC(C)CCC 34a_100000703577_100000766640 [0,1,0,0,0,0|2,0,0]=3 5150 B11R0.4 C=CCCCCNC(C)CCO 2230a_100000703577_100009893172 [0,1,0,0,0,0|3,0,0]=4 5151 B11R0.4 C=CCCCCNC(C)CCO 34a_100000703577_100009893172 [0,1,0,0,0,0|3,0,0]=4 5152 B11R0.4 C=CCCCCNC(C)COC 2230a_100000703577_100000765312 [0,1,0,0,0,0|3,0,0]=4 5153 B11R0.4 C=CCCCCNC(C)COC 270004a_100000703577_100000749346 [0,1,0,0,0,0|3,0,0]=4 5154 B11R0.4 C=CCCCCNC(C)COC 34a_100000703577_100000765312 [0,1,0,0,0,0|3,0,0]=4 5155 B11R0.4 C=CCCCCNC(C)CSC 270004a_100000703577_100011216314 [0,1,0,0,0,0|3,0,0]=4 5156 B11R0.4 C=CCCCCN[C@H](C)CCO 2230a_100000706166_100011215482 [0,1,0,0,0,0|3,0,0]=4 5157 B11R0.4 C=CCCCCN[C@H](C)CCO 34a_100000706166_100011215482 [0,1,0,0,0,0|3,0,0]=4 5158 B11R0.4 C=CCCCCN[C@H](C)COC 2230a_100000764878_100011215482 [0,1,0,0,0,0|3,0,0]=4 5159 B11R0.4 C=CCCCCOC(C)CCBr 34a_100012276601_100011215482 [0,1,0,0,0,0|3,0,0]=4 5160 B11R0.4 C=CCCCCOC(C)CCC 34a_100000764384_100011215482 [0,1,0,0,0,0|2,0,0]=3 5161 B11R0.4 C=CCCCCOC(C)CCC 34a_100000766645_100000766640 [0,1,0,0,0,0|2,0,0]=3 5162 B11R0.4 C=CCCCCOC(C)CCC 7a_100000764384_100011215482 [0,1,0,0,0,0|2,0,0]=3 5163 B11R0.4 C=CCCCCOC(C)CCC 7a_100000766645_100000766640 [0,1,0,0,0,0|2,0,0]=3 5164 B11R0.4 C=CCCCCOC(C)CCO 34a_100000766645_100009893172 [0,1,0,0,0,0|3,0,0]=4 5165 B11R0.4 C=CCCCCOC(C)CCO 7a_100000766645_100009893172 [0,1,0,0,0,0|3,0,0]=4 5166 B11R0.4 C=CCCCCOC(C)COC 34a_100000766645_100000765312 [0,1,0,0,0,0|3,0,0]=4 5167 B11R0.4 C=CCCCCOC(C)COC 7a_100000766645_100000765312 [0,1,0,0,0,0|3,0,0]=4 5168 B11R0.4 C=CCCCCO[C@H](C)COC 34a_100011934205_100011215482 [0,1,0,0,0,0|3,0,0]=4 5169 B11R0.4 C=CCCCCSC(C)CCC 62a_100000766640_100011215482 [0,1,0,0,0,0|2,0,0]=3 5170 B11R0.4 C=CCCCCSC(C)CCC 62a_100011215482_100000766640 [0,1,0,0,0,0|2,0,0]=3 5171 B11R0.4 C=CCCCCSC(C)CCO 62a_100009893172_100011215482 [0,1,0,0,0,0|3,0,0]=4 5172 B11R0.4 C=CCCCCSC(C)CCO 62a_100011215482_100009893172 [0,1,0,0,0,0|3,0,0]=4 5173 B11R0.4 C=CCCCCSC(C)COC 62a_100000765312_100011215482 [0,1,0,0,0,0|3,0,0]=4 5174 B11R0.4 C=CCCCCSC(C)COC 62a_100011215482_100000765312 [0,1,0,0,0,0|3,0,0]=4 5175 B11R0.4 C=CCCCNCC(=O)CCC 2230a_100000700776_100000747444 [0,1,0,0,0,0|2,0,1]=4 5176 B11R0.4 C=CCCCNCC(C)CCC 2230a_100000700776_100011216630 [0,1,0,0,0,0|2,0,0]=3 5177 B11R0.4 C=CCCCNCC(C)CCC 270004a_100000700776_100000243154 [0,1,0,0,0,0|2,0,0]=3 5178 B11R0.4 C=CCCCNCC(C)CCC 34a_100000700776_100011216630 [0,1,0,0,0,0|2,0,0]=3 5179 B11R0.4 C=CCCCNCC(O)COC 2230a_100000756049_100011713584 [0,1,0,0,0,0|3,0,0]=4 5180 B11R0.4 C=CCCCNCC(O)COC 34a_100000700776_100011215053 [0,1,0,0,0,0|3,0,0]=4 5181 B11R0.4 C=CCCCNCC(O)COC 34a_100000756049_100000757094 [0,1,0,0,0,0|3,0,0]=4 5182 B11R0.4 C=CCCCOCC(=O)CCC 7a_100000758997_100000747444 [0,1,0,0,0,0|2,0,1]=4 5183 B11R0.4 C=CCCCOCC(C)CCC 34a_100000688023_100000757094 [0,1,0,0,0,0|2,0,0]=3 5184 B11R0.4 C=CCCCOCC(C)CCC 34a_100000758997_100011216630 [0,1,0,0,0,0|2,0,0]=3 5185 B11R0.4 C=CCCCOCC(C)CCC 7a_100000688023_100000757094 [0,1,0,0,0,0|2,0,0]=3 5186 B11R0.4 C=CCCCOCC(C)CCC 7a_100000758997_100011216630 [0,1,0,0,0,0|2,0,0]=3 5187 B11R0.4 C=CCCCOCC(C)CCN 34a_106354213184_100000757094 [0,1,0,0,0,0|3,0,0]=4 5188 B11R0.4 C=CCCCOCC(N)COC 34a_100000724102_100000757094 [0,1,0,0,0,0|3,0,0]=4 5189 B11R0.4 C=CCCCOCC(O)COC 34a_100000758997_100011215053 [0,1,0,0,0,0|3,0,0]=4 5190 B11R0.4 C=CCCCOCC(O)COC 7a_100000758997_100011215053 [0,1,0,0,0,0|3,0,0]=4 5191 B11R0.4 C=CCCCOC[C@@H](N)CCC 34a_100000732646_100000757094 [0,1,0,0,0,0|2,0,0]=3 5192 B11R0.4 C=CCCCSCC(=O)CCC 62a_100000747444_100000757094 [0,1,0,0,0,0|2,0,1]=4 5193 B11R0.4 C=CCCCSCC(=O)CCC 62a_100011713584_100000747444 [0,1,0,0,0,0|2,0,1]=4 5194 B11R0.4 C=CCCCSCC(C)CCC 62a_100011216630_100000757094 [0,1,0,0,0,0|2,0,0]=3 5195 B11R0.4 C=CCCCSCC(C)CCC 62a_100011713584_100011216630 [0,1,0,0,0,0|2,0,0]=3 5196 B11R0.4 C=CCCCSCC(O)COC 62a_100011215053_100000757094 [0,1,0,0,0,0|3,0,0]=4 5197 B11R0.4 C=CCCCSCC(O)COC 62a_100011713584_100011215053 [0,1,0,0,0,0|3,0,0]=4 5198 B11R0.4 C=CCCOCCC(C)CCC 34a_100011217855_100000754431 [0,1,0,0,0,0|2,0,0]=3 5199 B11R0.4 C=CCCOCCC(C)CCC 7a_100011217855_100000754431 [0,1,0,0,0,0|2,0,0]=3 5200 B11R0.4 C=CCCOCC[C@@H](N)CCC 34a_100015193777_100000754431 [0,1,0,0,0,0|2,0,0]=3 5201 B11R0.4 C=CCN(C)CCCCCC=O 2230a_100000225617_100000139337 [0,1,0,0,0,0|1,0,2]=4 5202 B11R0.4 C=CCN(C)CCCCCC=O 269982a_100000225617_100000139337 [0,1,0,0,0,0|1,0,2]=4 5203 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [0,1,0,0,0,0|2,0,0]=3 5204 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [0,1,0,0,0,0|2,0,0]=3 5205 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [0,1,0,0,0,0|2,0,0]=3 5206 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [0,1,0,0,0,0|2,0,0]=3 5207 B11R0.4 C=CCN(C)CCCCCCF 2230a_100000225617_100015922095 [0,1,0,0,0,0|3,0,0]=4 5208 B11R0.4 C=CCN(C)CCCCCCF 269982a_100000225617_100015922095 [0,1,0,0,0,0|3,0,0]=4 5209 B11R0.4 C=CCN(C)CCCCCCO 2230a_100000225617_100000766143 [0,1,0,0,0,0|3,0,0]=4 5210 B11R0.4 C=CCN(C)CCCCCCO 269982a_100000225617_100000766143 [0,1,0,0,0,0|3,0,0]=4 5211 B11R0.4 C=CCN(C)CCOCCCC 2230a_100000225617_100000743108 [0,1,0,0,0,0|3,0,0]=4 5212 B11R0.4 C=CCN(C)CCOCCCC 269982a_100000225617_100000743108 [0,1,0,0,0,0|3,0,0]=4 5213 B11R0.4 C=CCOCCCC(C)CCC 34a_100011713154_100015514636 [0,1,0,0,0,0|2,0,0]=3 5214 B11R0.4 C=CCOCCCC(C)CCC 7a_100011713154_100015514636 [0,1,0,0,0,0|2,0,0]=3 5215 B11R0.4 C=CCOCCOC(C)CCC 34a_100000037705_100000766640 [0,1,0,0,0,0|3,0,0]=4 5216 B11R0.4 C=CCOCCOC(C)CCC 7a_100000037705_100000766640 [0,1,0,0,0,0|3,0,0]=4 5217 B11R0.4 C=CC[C@@H](C)OCCCCC=O 7a_100000731007_100000139335 [0,1,0,0,0,0|1,0,2]=4 5218 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [0,1,0,0,0,0|2,0,0]=3 5219 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [0,1,0,0,0,0|2,0,0]=3 5220 B11R0.4 C=CC[C@@H](C)OCCCCCF 34a_100000731007_100000729378 [0,1,0,0,0,0|3,0,0]=4 5221 B11R0.4 C=CC[C@@H](C)OCCCCCF 7a_100000731007_100000729378 [0,1,0,0,0,0|3,0,0]=4 5222 B11R0.4 C=CC[C@@H](C)OCCCCCO 34a_100000731007_100000746330 [0,1,0,0,0,0|3,0,0]=4 5223 B11R0.4 C=CC[C@@H](C)OCCCCCO 7a_100000731007_100000746330 [0,1,0,0,0,0|3,0,0]=4 5224 B11R0.4 C=CC[C@@H](C)OCCCCOC 34a_100000731007_100000755781 [0,1,0,0,0,0|3,0,0]=4 5225 B11R0.4 C=CC[C@@H](C)OCCCCOC 7a_100000731007_100000730899 [0,1,0,0,0,0|3,0,0]=4 5226 B11R0.4 C=CC[C@@H](C)OCCCOCC 34a_100000731007_100012232248 [0,1,0,0,0,0|3,0,0]=4 5227 B11R0.4 C=CC[C@@H](C)OCCCOCC 7a_100000731007_100012232248 [0,1,0,0,0,0|3,0,0]=4 5228 B11R0.4 C=CC[C@@H](C)OCCOCCC 34a_100000731007_100011215938 [0,1,0,0,0,0|3,0,0]=4 5229 B11R0.4 C=CC[C@@H](C)OCCOCCC 7a_100000731007_100011215938 [0,1,0,0,0,0|3,0,0]=4 5230 B11R0.4 C=CC[C@@H](C)OCOCCCC 34a_100000731007_100011995733 [0,1,0,0,0,0|3,0,0]=4 5231 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [0,1,0,0,0,0|2,0,0]=3 5232 B11R0.4 C=CC[C@@H](N)COCCCCF 34a_100020615467_100000729493 [0,1,0,0,0,0|3,0,0]=4 5233 B11R0.4 C=CC[C@@H](N)COCCCCO 34a_100020615467_100011216708 [0,1,0,0,0,0|3,0,0]=4 5234 B11R0.4 C=CC[C@@H](N)COCCCOC 34a_100020615467_100000740836 [0,1,0,0,0,0|3,0,0]=4 5235 B11R0.4 C=CC[C@@H](N)COCCOCC 34a_100020615467_100000210147 [0,1,0,0,0,0|3,0,0]=4 5236 B11R0.4 C=CC[C@@H](N)COCCSCC 34a_100020615467_100000757381 [0,1,0,0,0,0|3,0,0]=4 5237 B11R0.4 C=COCCCNC(C)CCC 2230a_100000210767_100000766640 [0,1,0,0,0,0|3,0,0]=4 5238 B11R0.4 C=COCCCNC(C)CCC 270004a_100000210767_100000211909 [0,1,0,0,0,0|3,0,0]=4 5239 B11R0.4 C=COCCCNC(C)CCC 34a_100000210767_100000766640 [0,1,0,0,0,0|3,0,0]=4 5240 B11R0.4 C=COCCOCC(C)CCC 34a_100000033082_100011216630 [0,1,0,0,0,0|3,0,0]=4 5241 B11R0.4 C=COCCOCC(C)CCC 34a_100000688023_100000039644 [0,1,0,0,0,0|3,0,0]=4 5242 B11R0.4 C=COCCOCC(C)CCC 7a_100000688023_100000039644 [0,1,0,0,0,0|3,0,0]=4 5243 B11R0.4 C=COCCOC[C@@H](N)CCC 34a_100000732646_100000039644 [0,1,0,0,0,0|3,0,0]=4 5244 B11R0.4 C=COCCSCC(C)CCC 62a_100000039644_100011216630 [0,1,0,0,0,0|3,0,0]=4 5245 B11R0.4 C=COCCSCC(C)CCC 62a_100011216630_100000039644 [0,1,0,0,0,0|3,0,0]=4 5246 B11R0.4 CC(CC#N)SCCCCC=O 62a_100000139335_100009813641 [0,1,0,0,0,0|2,0,1]=4 5247 B11R0.4 CC(CC#N)SCCCCC=O 62a_100009813641_100000139335 [0,1,0,0,0,0|2,0,1]=4 5248 B11R0.4 CC(CCO)SCCCCC=O 62a_100000139335_100009893172 [0,1,0,0,0,0|2,0,0]=3 5249 B11R0.4 CC(CCO)SCCCCC=O 62a_100009893172_100000139335 [0,1,0,0,0,0|2,0,0]=3 5250 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,1,0,0,0,0|1,0,2]=4 5251 B11R0.4 CC=CCCCOC(C)CCC 34a_100020645299_100000766640 [0,1,0,0,0,0|2,0,1]=4 5252 B11R0.4 CC=CCOCCC(C)CCC 34a_100011217855_100000070051 [0,1,0,0,0,0|2,0,1]=4 5253 B11R0.4 CC=CCOCCC(C)CCC 7a_100011217855_100000070051 [0,1,0,0,0,0|2,0,1]=4 5254 B11R0.4 CC=CCOCC[C@@H](N)CCC 34a_100015193777_100000070051 [0,1,0,0,0,0|2,0,1]=4 5255 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,1,0,0,0,0|1,0,2]=4 5256 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,1,0,0,0,0|1,0,2]=4 5257 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,1,0,0,0,0|0,0,3]=4 5258 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,1,0,0,0,0|0,0,3]=4 5259 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,1,0,0,0,0|2,0,1]=4 5260 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [0,1,0,0,0,0|1,0,1]=3 5261 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [0,1,0,0,0,0|1,0,1]=3 5262 B11R0.4 CCCC(C)CCCOCC#N 7a_100011713154_100011215382 [0,1,0,0,0,0|2,0,1]=4 5263 B11R0.4 CCCC(C)CCCOCC=O 34a_100011713154_200009817547 [0,1,0,0,0,0|1,0,0]=2 5264 B11R0.4 CCCC(C)CCCOCC=O 7a_100011713154_200015260668 [0,1,0,0,0,0|1,0,0]=2 5265 B11R0.4 CCCC(C)CCCOCCF 34a_100011713154_100011217306 [0,1,0,0,0,0|2,0,1]=4 5266 B11R0.4 CCCC(C)CCCOCCF 7a_100011713154_100011217306 [0,1,0,0,0,0|2,0,1]=4 5267 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [0,1,0,0,0,0|1,0,2]=4 5268 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [0,1,0,0,0,0|1,0,2]=4 5269 B11R0.4 CCCC(C)CCCOCSC 34a_100011713154_100011218213 [0,1,0,0,0,0|3,0,0]=4 5270 B11R0.4 CCCC(C)CCOCCC#N 7a_100011217855_100000184422 [0,1,0,0,0,0|2,0,1]=4 5271 B11R0.4 CCCC(C)CCOCCCF 34a_100011217855_100011934791 [0,1,0,0,0,0|2,0,1]=4 5272 B11R0.4 CCCC(C)CCOCCCF 7a_100011217855_100011934791 [0,1,0,0,0,0|2,0,1]=4 5273 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [0,1,0,0,0,0|1,0,2]=4 5274 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [0,1,0,0,0,0|1,0,2]=4 5275 B11R0.4 CCCC(C)CCOCCOC 34a_100011217855_100011201679 [0,1,0,0,0,0|3,0,0]=4 5276 B11R0.4 CCCC(C)CCOCCOC 7a_100011217855_100000233755 [0,1,0,0,0,0|3,0,0]=4 5277 B11R0.4 CCCC(C)CCOCCSC 34a_100011217855_100000212216 [0,1,0,0,0,0|3,0,0]=4 5278 B11R0.4 CCCC(C)CCOCCSC 7a_100011217855_100000212216 [0,1,0,0,0,0|3,0,0]=4 5279 B11R0.4 CCCC(C)CNCCCCO 2230a_100000750430_100011216630 [0,1,0,0,0,0|1,0,2]=4 5280 B11R0.4 CCCC(C)CNCCCCO 270004a_100000750430_100000243154 [0,1,0,0,0,0|1,0,2]=4 5281 B11R0.4 CCCC(C)CNCCCCO 34a_100000750430_100011216630 [0,1,0,0,0,0|1,0,2]=4 5282 B11R0.4 CCCC(C)CNCCCOC 270004a_100150723488_100000243154 [0,1,0,0,0,0|3,0,0]=4 5283 B11R0.4 CCCC(C)CNCCCOC 34a_100150723488_100011216630 [0,1,0,0,0,0|3,0,0]=4 5284 B11R0.4 CCCC(C)CNCCCSC 2230a_100000749238_100011216630 [0,1,0,0,0,0|3,0,0]=4 5285 B11R0.4 CCCC(C)CNCCCSC 270004a_100000749238_100000243154 [0,1,0,0,0,0|3,0,0]=4 5286 B11R0.4 CCCC(C)COCCCC#N 7a_100000688023_100000687738 [0,1,0,0,0,0|2,0,1]=4 5287 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [0,1,0,0,0,0|1,0,0]=2 5288 B11R0.4 CCCC(C)COCCCCBr 34a_100011216708_100011216630 [0,1,0,0,0,0|2,0,1]=4 5289 B11R0.4 CCCC(C)COCCCCCl 34a_100000210776_100011216630 [0,1,0,0,0,0|2,0,1]=4 5290 B11R0.4 CCCC(C)COCCCCCl 7a_100000210776_100011216630 [0,1,0,0,0,0|2,0,1]=4 5291 B11R0.4 CCCC(C)COCCCCF 34a_100000688023_100000729493 [0,1,0,0,0,0|2,0,1]=4 5292 B11R0.4 CCCC(C)COCCCCF 34a_100011995726_100011216630 [0,1,0,0,0,0|2,0,1]=4 5293 B11R0.4 CCCC(C)COCCCCF 7a_100000688023_100000729493 [0,1,0,0,0,0|2,0,1]=4 5294 B11R0.4 CCCC(C)COCCCCF 7a_100011995726_100011216630 [0,1,0,0,0,0|2,0,1]=4 5295 B11R0.4 CCCC(C)COCCCCI 34a_200012148704_100011216630 [0,1,0,0,0,0|2,0,1]=4 5296 B11R0.4 CCCC(C)COCCCCN 34a_100000750430_100011216630 [0,1,0,0,0,0|2,0,1]=4 5297 B11R0.4 CCCC(C)COCCCCO 34a_100000688023_100011216708 [0,1,0,0,0,0|1,0,2]=4 5298 B11R0.4 CCCC(C)COCCCCO 7a_100000688023_100000210776 [0,1,0,0,0,0|1,0,2]=4 5299 B11R0.4 CCCC(C)COCCCNC 34a_100000213112_100011216630 [0,1,0,0,0,0|3,0,0]=4 5300 B11R0.4 CCCC(C)COCCCOC 34a_100000688023_100000740836 [0,1,0,0,0,0|3,0,0]=4 5301 B11R0.4 CCCC(C)COCCCOC 34a_100000740835_100011216630 [0,1,0,0,0,0|3,0,0]=4 5302 B11R0.4 CCCC(C)COCCCOC 7a_100000688023_100000740836 [0,1,0,0,0,0|3,0,0]=4 5303 B11R0.4 CCCC(C)COCCCSC 34a_100000690336_100011216630 [0,1,0,0,0,0|3,0,0]=4 5304 B11R0.4 CCCC(C)COCCCSC 7a_100000690336_100011216630 [0,1,0,0,0,0|3,0,0]=4 5305 B11R0.4 CCCC(C)CSCCCC#N 62a_100000687738_100011216630 [0,1,0,0,0,0|2,0,1]=4 5306 B11R0.4 CCCC(C)CSCCCC#N 62a_100011216630_100000687738 [0,1,0,0,0,0|2,0,1]=4 5307 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [0,1,0,0,0,0|1,0,0]=2 5308 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [0,1,0,0,0,0|1,0,0]=2 5309 B11R0.4 CCCC(C)CSCCCCF 62a_100000729493_100011216630 [0,1,0,0,0,0|2,0,1]=4 5310 B11R0.4 CCCC(C)CSCCCCF 62a_100011216630_100000729493 [0,1,0,0,0,0|2,0,1]=4 5311 B11R0.4 CCCC(C)CSCCCCO 62a_100000210776_100011216630 [0,1,0,0,0,0|1,0,2]=4 5312 B11R0.4 CCCC(C)CSCCCCO 62a_100011216630_100000210776 [0,1,0,0,0,0|1,0,2]=4 5313 B11R0.4 CCCC(C)CSCCCOC 62a_100000709357_100011216630 [0,1,0,0,0,0|3,0,0]=4 5314 B11R0.4 CCCC(C)CSCCCOC 62a_100011216630_100000709357 [0,1,0,0,0,0|3,0,0]=4 5315 B11R0.4 CCCC(C)NCCCCC#N 2230a_100000741246_100000211819 [0,1,0,0,0,0|2,0,1]=4 5316 B11R0.4 CCCC(C)NCCCCC#N 270004a_100000751965_100000211909 [0,1,0,0,0,0|2,0,1]=4 5317 B11R0.4 CCCC(C)NCCCCC=O 2230a_100000741246_100000139335 [0,1,0,0,0,0|1,0,0]=2 5318 B11R0.4 CCCC(C)NCCCCCF 2230a_100000741246_100000729378 [0,1,0,0,0,0|2,0,1]=4 5319 B11R0.4 CCCC(C)NCCCCCO 2230a_100000741246_100000746330 [0,1,0,0,0,0|1,0,2]=4 5320 B11R0.4 CCCC(C)NCCCCCO 2230a_100000762737_100000766640 [0,1,0,0,0,0|1,0,2]=4 5321 B11R0.4 CCCC(C)NCCCCCO 270004a_100000762737_100000211909 [0,1,0,0,0,0|1,0,2]=4 5322 B11R0.4 CCCC(C)NCCCCCO 34a_100000762737_100000766640 [0,1,0,0,0,0|1,0,2]=4 5323 B11R0.4 CCCC(C)NCCCCOC 2230a_100000741246_100000730899 [0,1,0,0,0,0|3,0,0]=4 5324 B11R0.4 CCCC(C)OCCCCC#N 7a_100000764384_100000211819 [0,1,0,0,0,0|2,0,1]=4 5325 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [0,1,0,0,0,0|1,0,0]=2 5326 B11R0.4 CCCC(C)OCCCCCBr 34a_100000746331_100000766640 [0,1,0,0,0,0|2,0,1]=4 5327 B11R0.4 CCCC(C)OCCCCCBr 7a_100000746331_100000766640 [0,1,0,0,0,0|2,0,1]=4 5328 B11R0.4 CCCC(C)OCCCCCCl 34a_100000746330_100000766640 [0,1,0,0,0,0|2,0,1]=4 5329 B11R0.4 CCCC(C)OCCCCCCl 7a_100000746330_100000766640 [0,1,0,0,0,0|2,0,1]=4 5330 B11R0.4 CCCC(C)OCCCCCF 34a_100000764384_100000729378 [0,1,0,0,0,0|2,0,1]=4 5331 B11R0.4 CCCC(C)OCCCCCF 7a_100000764384_100000729378 [0,1,0,0,0,0|2,0,1]=4 5332 B11R0.4 CCCC(C)OCCCCCI 34a_200012148887_100000766640 [0,1,0,0,0,0|2,0,1]=4 5333 B11R0.4 CCCC(C)OCCCCCI 7a_200012148887_100000766640 [0,1,0,0,0,0|2,0,1]=4 5334 B11R0.4 CCCC(C)OCCCCCN 34a_100000762737_100000766640 [0,1,0,0,0,0|2,0,1]=4 5335 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [0,1,0,0,0,0|1,0,2]=4 5336 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [0,1,0,0,0,0|1,0,2]=4 5337 B11R0.4 CCCC(C)OCCCCOC 34a_100000740925_100000766640 [0,1,0,0,0,0|3,0,0]=4 5338 B11R0.4 CCCC(C)OCCCCOC 34a_100000764384_100000755781 [0,1,0,0,0,0|3,0,0]=4 5339 B11R0.4 CCCC(C)OCCCCOC 7a_100000764384_100000730899 [0,1,0,0,0,0|3,0,0]=4 5340 B11R0.4 CCCC(C)OCCCCSC 34a_100011217163_100000766640 [0,1,0,0,0,0|3,0,0]=4 5341 B11R0.4 CCCC(C)OCCCCSC 7a_100011217163_100000766640 [0,1,0,0,0,0|3,0,0]=4 5342 B11R0.4 CCCC(C)SCCCCC#N 62a_100000766640_100000211819 [0,1,0,0,0,0|2,0,1]=4 5343 B11R0.4 CCCC(C)SCCCCC#N 62a_100011219923_100000766640 [0,1,0,0,0,0|2,0,1]=4 5344 B11R0.4 CCCC(C)SCCCCC=O 62a_100000139335_100000766640 [0,1,0,0,0,0|1,0,0]=2 5345 B11R0.4 CCCC(C)SCCCCC=O 62a_100000766640_100000139335 [0,1,0,0,0,0|1,0,0]=2 5346 B11R0.4 CCCC(C)SCCCCCF 62a_100000729378_100000766640 [0,1,0,0,0,0|2,0,1]=4 5347 B11R0.4 CCCC(C)SCCCCCF 62a_100000766640_100000729378 [0,1,0,0,0,0|2,0,1]=4 5348 B11R0.4 CCCC(C)SCCCCCO 62a_100000746330_100000766640 [0,1,0,0,0,0|1,0,2]=4 5349 B11R0.4 CCCC(C)SCCCCCO 62a_100000766640_100000746330 [0,1,0,0,0,0|1,0,2]=4 5350 B11R0.4 CCCC(C)SCCCCOC 62a_100000730899_100000766640 [0,1,0,0,0,0|3,0,0]=4 5351 B11R0.4 CCCC(C)SCCCCOC 62a_100000766640_100000730899 [0,1,0,0,0,0|3,0,0]=4 5352 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [0,1,0,0,0,0|1,0,2]=4 5353 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [0,1,0,0,0,0|1,0,2]=4 5354 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [0,1,0,0,0,0|1,0,2]=4 5355 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,1,0,0,0,0|1,0,2]=4 5356 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,1,0,0,0,0|1,0,2]=4 5357 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,1,0,0,0,0|1,0,2]=4 5358 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,1,0,0,0,0|1,0,2]=4 5359 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,1,0,0,0,0|1,0,2]=4 5360 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,1,0,0,0,0|0,0,3]=4 5361 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,1,0,0,0,0|0,0,3]=4 5362 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,1,0,0,0,0|2,0,1]=4 5363 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,1,0,0,0,0|2,0,1]=4 5364 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,1,0,0,0,0|2,0,1]=4 5365 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,1,0,0,0,0|2,0,1]=4 5366 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,1,0,0,0,0|2,0,1]=4 5367 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,1,0,0,0,0|2,0,1]=4 5368 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,1,0,0,0,0|2,0,1]=4 5369 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [0,1,0,0,0,0|2,0,1]=4 5370 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [0,1,0,0,0,0|2,0,1]=4 5371 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [0,1,0,0,0,0|2,0,1]=4 5372 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [0,1,0,0,0,0|2,0,1]=4 5373 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [0,1,0,0,0,0|2,0,1]=4 5374 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [0,1,0,0,0,0|2,0,1]=4 5375 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000228206_100011215382 [0,1,0,0,0,0|2,0,1]=4 5376 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000748184_100000210681 [0,1,0,0,0,0|2,0,1]=4 5377 B11R0.4 CCCCCCCN(C)CC#N 269982a_100000228206_100011214920 [0,1,0,0,0,0|2,0,1]=4 5378 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [0,1,0,0,0,0|1,0,0]=2 5379 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [0,1,0,0,0,0|1,0,0]=2 5380 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,1,0,0,0,0|2,0,1]=4 5381 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,1,0,0,0,0|2,0,1]=4 5382 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,1,0,0,0,0|2,0,1]=4 5383 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,1,0,0,0,0|2,0,1]=4 5384 B11R0.4 CCCCCCCN(C)CCF 2230a_100000228206_100011217306 [0,1,0,0,0,0|2,0,1]=4 5385 B11R0.4 CCCCCCCN(C)CCF 269982a_100000228206_100011217306 [0,1,0,0,0,0|2,0,1]=4 5386 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,1,0,0,0,0|1,0,2]=4 5387 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,1,0,0,0,0|1,0,2]=4 5388 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,1,0,0,0,0|1,0,2]=4 5389 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,1,0,0,0,0|1,0,2]=4 5390 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,1,0,0,0,0|3,0,0]=4 5391 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,1,0,0,0,0|3,0,0]=4 5392 B11R0.4 CCCCCCCN(C)CSC 2230a_100000228206_100011218213 [0,1,0,0,0,0|3,0,0]=4 5393 B11R0.4 CCCCCCCN(C)CSC 269982a_100000228206_100011218213 [0,1,0,0,0,0|3,0,0]=4 5394 B11R0.4 CCCCCCNC(C)CC#N 2230a_100000210581_100009813641 [0,1,0,0,0,0|2,0,1]=4 5395 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [0,1,0,0,0,0|2,0,1]=4 5396 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [0,1,0,0,0,0|2,0,1]=4 5397 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [0,1,0,0,0,0|2,0,1]=4 5398 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [0,1,0,0,0,0|1,0,2]=4 5399 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [0,1,0,0,0,0|3,0,0]=4 5400 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [0,1,0,0,0,0|3,0,0]=4 5401 B11R0.4 CCCCCCNC(C)CSC 270004a_100000210581_100011216314 [0,1,0,0,0,0|3,0,0]=4 5402 B11R0.4 CCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210314 [0,1,0,0,0,0|2,0,1]=4 5403 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [0,1,0,0,0,0|1,0,2]=4 5404 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [0,1,0,0,0,0|1,0,2]=4 5405 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [0,1,0,0,0,0|3,0,0]=4 5406 B11R0.4 CCCCCCOC(C)CC#N 7a_100000210259_100009813641 [0,1,0,0,0,0|2,0,1]=4 5407 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [0,1,0,0,0,0|2,0,1]=4 5408 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,1,0,0,0,0|2,0,1]=4 5409 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,1,0,0,0,0|2,0,1]=4 5410 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,1,0,0,0,0|2,0,1]=4 5411 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,1,0,0,0,0|2,0,1]=4 5412 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,1,0,0,0,0|1,0,2]=4 5413 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,1,0,0,0,0|1,0,2]=4 5414 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,1,0,0,0,0|3,0,0]=4 5415 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,1,0,0,0,0|3,0,0]=4 5416 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,1,0,0,0,0|3,0,0]=4 5417 B11R0.4 CCCCCCSC(C)CC#N 62a_100000210314_100009813641 [0,1,0,0,0,0|2,0,1]=4 5418 B11R0.4 CCCCCCSC(C)CC#N 62a_100009813641_100000210757 [0,1,0,0,0,0|2,0,1]=4 5419 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [0,1,0,0,0,0|2,0,1]=4 5420 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [0,1,0,0,0,0|2,0,1]=4 5421 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [0,1,0,0,0,0|1,0,2]=4 5422 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [0,1,0,0,0,0|1,0,2]=4 5423 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [0,1,0,0,0,0|3,0,0]=4 5424 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [0,1,0,0,0,0|3,0,0]=4 5425 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [0,1,0,0,0,0|2,0,1]=4 5426 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [0,1,0,0,0,0|2,0,1]=4 5427 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [0,1,0,0,0,0|3,0,0]=4 5428 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [0,1,0,0,0,0|3,0,0]=4 5429 B11R0.4 CCCCCNC[C@@H](O)CC#N 2230a_100000209983_100000001066 [0,1,0,0,0,0|2,0,1]=4 5430 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [0,1,0,0,0,0|2,0,1]=4 5431 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [0,1,0,0,0,0|2,0,1]=4 5432 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [0,1,0,0,0,0|2,0,1]=4 5433 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [0,1,0,0,0,0|2,0,1]=4 5434 B11R0.4 CCCCCOCC(C)CCN 34a_106354213184_100000718602 [0,1,0,0,0,0|2,0,1]=4 5435 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [0,1,0,0,0,0|3,0,0]=4 5436 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [0,1,0,0,0,0|3,0,0]=4 5437 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [0,1,0,0,0,0|3,0,0]=4 5438 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [0,1,0,0,0,0|2,0,1]=4 5439 B11R0.4 CCCCCOC[C@@H](O)CC#N 7a_100000210253_100000001066 [0,1,0,0,0,0|2,0,1]=4 5440 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [0,1,0,0,0,0|2,0,1]=4 5441 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [0,1,0,0,0,0|2,0,1]=4 5442 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [0,1,0,0,0,0|3,0,0]=4 5443 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [0,1,0,0,0,0|3,0,0]=4 5444 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210326 [0,1,0,0,0,0|2,0,1]=4 5445 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000210326_100000001066 [0,1,0,0,0,0|2,0,1]=4 5446 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [0,1,0,0,0,0|2,0,1]=4 5447 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [0,1,0,0,0,0|2,0,1]=4 5448 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [0,1,0,0,0,0|2,0,1]=4 5449 B11R0.4 CCCN(C)CCCCCC#N 2230a_100000747261_100009813376 [0,1,0,0,0,0|2,0,1]=4 5450 B11R0.4 CCCN(C)CCCCCC#N 269982a_100000747261_100009813376 [0,1,0,0,0,0|2,0,1]=4 5451 B11R0.4 CCCN(C)CCCCCC=O 2230a_100000747261_100000139337 [0,1,0,0,0,0|1,0,0]=2 5452 B11R0.4 CCCN(C)CCCCCC=O 269982a_100000747261_100000139337 [0,1,0,0,0,0|1,0,0]=2 5453 B11R0.4 CCCN(C)CCCCCCF 2230a_100000747261_100015922095 [0,1,0,0,0,0|2,0,1]=4 5454 B11R0.4 CCCN(C)CCCCCCF 269982a_100000747261_100015922095 [0,1,0,0,0,0|2,0,1]=4 5455 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [0,1,0,0,0,0|1,0,2]=4 5456 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [0,1,0,0,0,0|1,0,2]=4 5457 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [0,1,0,0,0,0|2,0,1]=4 5458 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [0,1,0,0,0,0|2,0,1]=4 5459 B11R0.4 CCC[C@H](N)CCOCCCF 34a_100015193777_100011934791 [0,1,0,0,0,0|2,0,1]=4 5460 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [0,1,0,0,0,0|1,0,2]=4 5461 B11R0.4 CCC[C@H](N)CCOCCOC 34a_100015193777_100011201679 [0,1,0,0,0,0|3,0,0]=4 5462 B11R0.4 CCC[C@H](N)CCOCCSC 34a_100015193777_100000212216 [0,1,0,0,0,0|3,0,0]=4 5463 B11R0.4 CCC[C@H](N)COCCCCF 34a_100000732646_100000729493 [0,1,0,0,0,0|2,0,1]=4 5464 B11R0.4 CCC[C@H](N)COCCCCO 34a_100000732646_100011216708 [0,1,0,0,0,0|1,0,2]=4 5465 B11R0.4 CCC[C@H](N)COCCCOC 34a_100000732646_100000740836 [0,1,0,0,0,0|3,0,0]=4 5466 B11R0.4 CCNC(=O)CNCCCC=O 2230a_100016988866_200011292268 [0,1,0,0,0,0|2,0,1]=4 5467 B11R0.4 CCNC(=O)CSCCCC=O 62a_100000183381_200011292268 [0,1,0,0,0,0|2,0,1]=4 5468 B11R0.4 CCNC(=O)CSCCCC=O 62a_200011292268_100000183381 [0,1,0,0,0,0|2,0,1]=4 5469 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [0,1,0,0,0,0|2,0,1]=4 5470 B11R0.4 CCOC(=O)CCCSCC=O 62a_100009991533_200015260668 [0,1,0,0,0,0|2,0,1]=4 5471 B11R0.4 CCOC(=O)CCCSCC=O 62a_200015260668_100009991533 [0,1,0,0,0,0|2,0,1]=4 5472 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [0,1,0,0,0,0|2,0,1]=4 5473 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [0,1,0,0,0,0|2,0,1]=4 5474 B11R0.4 CN(CC#N)CCCCCC=O 2230a_100000748184_100000139337 [0,1,0,0,0,0|2,0,1]=4 5475 B11R0.4 CN(CCO)CCCCCC=O 2230a_100000210263_100000139337 [0,1,0,0,0,0|2,0,0]=3 5476 B11R0.4 CN(CCO)CCCCCC=O 269982a_100000210263_100000139337 [0,1,0,0,0,0|2,0,0]=3 5477 B11R0.4 COCC(C)SCCCCC=O 62a_100000139335_100000765312 [0,1,0,0,0,0|2,0,0]=3 5478 B11R0.4 COCC(C)SCCCCC=O 62a_100000765312_100000139335 [0,1,0,0,0,0|2,0,0]=3 5479 B11R0.4 COCC(O)CNCCCC=O 2230a_100000756049_200011292268 [0,1,0,0,0,0|2,0,0]=3 5480 B11R0.4 COCC(O)CSCCCC=O 62a_100011215053_200011292268 [0,1,0,0,0,0|2,0,0]=3 5481 B11R0.4 COCC(O)CSCCCC=O 62a_200011292268_100011215053 [0,1,0,0,0,0|2,0,0]=3 5482 B11R0.4 COC[C@@H](C)NCCCCC=O 2230a_100000764878_100000139335 [0,1,0,0,0,0|2,0,0]=3 5483 B11R0.4 C[C@@H](CC#N)NCCCCC=O 2230a_100016994482_100000139335 [0,1,0,0,0,0|2,0,1]=4 5484 B11R0.4 C[C@H](CCO)NCCCCC=O 2230a_100000706166_100000139335 [0,1,0,0,0,0|2,0,0]=3 5485 B11R0.4 N#CC[C@H](O)CSCCCC=O 62a_100000001066_200011292268 [0,1,0,0,0,0|2,0,1]=4 5486 B11R0.4 N#CC[C@H](O)CSCCCC=O 62a_200011292268_100000001066 [0,1,0,0,0,0|2,0,1]=4 5487 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,1,0,0,0,0|1,0,2]=4 5488 B11R0.40 C#CC(C)NCCCCCC=O 2230a_100000707721_100000139337 [0,1,0,0,0,0|1,0,2]=4 5489 B11R0.40 C#CC(C)NCCCCCCC 2230a_100000707721_100000210681 [0,1,0,0,0,0|2,0,1]=4 5490 B11R0.40 C#CC(C)NCCCCCCC 34a_100000707721_100000210614 [0,1,0,0,0,0|2,0,1]=4 5491 B11R0.40 C#CC(C)OCCCCCCC 34a_100000210272_200000035995 [0,1,0,0,0,0|2,0,1]=4 5492 B11R0.40 C#CC(C)SCCCCCC=O 62a_200000035995_100000139337 [0,1,0,0,0,0|1,0,2]=4 5493 B11R0.40 C#CC(C)SCCCCCCC 62a_200000035995_100000210316 [0,1,0,0,0,0|2,0,1]=4 5494 B11R0.40 C#CC(O)CCCCCNCC 2230a_100015525214_200010408556 [0,1,0,0,0,0|2,0,1]=4 5495 B11R0.40 C#CC(O)CCCCCOCC 34a_100121572206_200010408556 [0,1,0,0,0,0|2,0,1]=4 5496 B11R0.40 C#CC(O)CCCCCSCC 62a_100000210202_200010408556 [0,1,0,0,0,0|2,0,1]=4 5497 B11R0.40 C#CC(O)CCCCCSCC 62a_200010408556_100000210202 [0,1,0,0,0,0|2,0,1]=4 5498 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,1,0,0,0,0|1,0,2]=4 5499 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,1,0,0,0,0|1,0,2]=4 5500 B11R0.40 C#CCCCCCCN(C)CC 2230a_100000225621_100012276617 [0,1,0,0,0,0|2,0,1]=4 5501 B11R0.40 C#CCCCCCCN(C)CC 269982a_100000225621_100012276617 [0,1,0,0,0,0|2,0,1]=4 5502 B11R0.40 C#CCCCCCNC(C)CC 2230a_100000209981_100012094781 [0,1,0,0,0,0|2,0,1]=4 5503 B11R0.40 C#CCCCCCOC(C)CC 34a_100000766912_100011215416 [0,1,0,0,0,0|2,0,1]=4 5504 B11R0.40 C#CCCCCCOC(C)CC 7a_100000210228_100012094781 [0,1,0,0,0,0|2,0,1]=4 5505 B11R0.40 C#CCCCCCOC(C)CC 7a_100000766912_100000758301 [0,1,0,0,0,0|2,0,1]=4 5506 B11R0.40 C#CCCCCCSC(C)CC 62a_100000758301_100012094781 [0,1,0,0,0,0|2,0,1]=4 5507 B11R0.40 C#CCCCCCSC(C)CC 62a_100012094781_100000758301 [0,1,0,0,0,0|2,0,1]=4 5508 B11R0.40 C#CCCCCNCC(C)CC 2230a_100000706060_100000748023 [0,1,0,0,0,0|2,0,1]=4 5509 B11R0.40 C#CCCCCNCC(C)CC 2230a_100020588543_100010269958 [0,1,0,0,0,0|2,0,1]=4 5510 B11R0.40 C#CCCCCNCC(C)CC 34a_100000706060_100000748023 [0,1,0,0,0,0|2,0,1]=4 5511 B11R0.40 C#CCCCCNCC(O)CC 2230a_100000706060_100011218378 [0,1,0,0,0,0|2,0,1]=4 5512 B11R0.40 C#CCCCCNCC(O)CC 2230a_100011218483_100010269958 [0,1,0,0,0,0|2,0,1]=4 5513 B11R0.40 C#CCCCCNCC(O)CC 34a_100000706060_100011218378 [0,1,0,0,0,0|2,0,1]=4 5514 B11R0.40 C#CCCCCNC[C@@H](C)CC 2230a_100000706060_100009816398 [0,1,0,0,0,0|2,0,1]=4 5515 B11R0.40 C#CCCCCNC[C@@H](C)CC 34a_100000706060_100009816398 [0,1,0,0,0,0|2,0,1]=4 5516 B11R0.40 C#CCCCCOCC(C)CC 34a_100000766709_100000748023 [0,1,0,0,0,0|2,0,1]=4 5517 B11R0.40 C#CCCCCOCC(C)CC 7a_100000766709_100000748023 [0,1,0,0,0,0|2,0,1]=4 5518 B11R0.40 C#CCCCCOCC(O)CC 34a_100000766709_100011218378 [0,1,0,0,0,0|2,0,1]=4 5519 B11R0.40 C#CCCCCOCC(O)CC 7a_100000766709_100011218378 [0,1,0,0,0,0|2,0,1]=4 5520 B11R0.40 C#CCCCCOC[C@@H](C)CC 34a_100000766709_100009816398 [0,1,0,0,0,0|2,0,1]=4 5521 B11R0.40 C#CCCCCOC[C@@H](C)CC 7a_100000766709_100009816398 [0,1,0,0,0,0|2,0,1]=4 5522 B11R0.40 C#CCCCCOC[C@@H](C)CC 7a_100009816381_100010269958 [0,1,0,0,0,0|2,0,1]=4 5523 B11R0.40 C#CCCCCSCC(C)CC 62a_100000748023_100010269958 [0,1,0,0,0,0|2,0,1]=4 5524 B11R0.40 C#CCCCCSCC(C)CC 62a_100010269958_100000748023 [0,1,0,0,0,0|2,0,1]=4 5525 B11R0.40 C#CCCCCSCC(O)CC 62a_100010269958_100011218378 [0,1,0,0,0,0|2,0,1]=4 5526 B11R0.40 C#CCCCCSCC(O)CC 62a_100011218378_100010269958 [0,1,0,0,0,0|2,0,1]=4 5527 B11R0.40 C#CCCCCSC[C@@H](C)CC 62a_100009816398_100010269958 [0,1,0,0,0,0|2,0,1]=4 5528 B11R0.40 C#CCCCCSC[C@@H](C)CC 62a_100010269958_100009816398 [0,1,0,0,0,0|2,0,1]=4 5529 B11R0.40 C#CCCCNCCC(C)CC 2230a_100020591266_100000731252 [0,1,0,0,0,0|2,0,1]=4 5530 B11R0.40 C#CCCCOCCC(C)CC 7a_100011215188_100011215417 [0,1,0,0,0,0|2,0,1]=4 5531 B11R0.40 C#CCCOCCCC(C)CC 7a_100011216074_100000688953 [0,1,0,0,0,0|2,0,1]=4 5532 B11R0.40 C#C[C@@H](C)OCCCCCC=O 7a_100009815206_100000139337 [0,1,0,0,0,0|1,0,2]=4 5533 B11R0.40 C#C[C@@H](C)OCCCCCCC 34a_100009815206_100000210614 [0,1,0,0,0,0|2,0,1]=4 5534 B11R0.40 C#C[C@@H](C)OCCCCCCC 7a_100009815206_100000210614 [0,1,0,0,0,0|2,0,1]=4 5535 B11R0.40 C/C=C/COCCCC(C)CC 7a_100011216074_100102629194 [0,1,0,0,0,0|2,0,1]=4 5536 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,1,0,0,0,0|1,0,1]=3 5537 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,1,0,0,0,0|2,0,1]=4 5538 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [0,1,0,0,0,0|2,0,1]=4 5539 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,1,0,0,0,0|2,0,1]=4 5540 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,1,0,0,0,0|2,0,1]=4 5541 B11R0.40 C=CC(C)COCCCCC=O 7a_100011215527_100000139335 [0,1,0,0,0,0|1,0,2]=4 5542 B11R0.40 C=CC(C)COCCCCCC 34a_100011215527_100000210314 [0,1,0,0,0,0|2,0,0]=3 5543 B11R0.40 C=CC(C)COCCCCCC 7a_100011215527_100000210314 [0,1,0,0,0,0|2,0,0]=3 5544 B11R0.40 C=CC(C)COCCCCCF 34a_100011215527_100000729378 [0,1,0,0,0,0|3,0,0]=4 5545 B11R0.40 C=CC(C)COCCCCCF 7a_100011215527_100000729378 [0,1,0,0,0,0|3,0,0]=4 5546 B11R0.40 C=CC(C)COCCCCCO 34a_100011215527_100000746330 [0,1,0,0,0,0|3,0,0]=4 5547 B11R0.40 C=CC(C)COCCCCCO 7a_100011215527_100000746330 [0,1,0,0,0,0|3,0,0]=4 5548 B11R0.40 C=CC(C)COCCCCOC 34a_100011215527_100000755781 [0,1,0,0,0,0|3,0,0]=4 5549 B11R0.40 C=CC(C)COCCCCOC 7a_100011215527_100000730899 [0,1,0,0,0,0|3,0,0]=4 5550 B11R0.40 C=CC(C)COCCCOCC 34a_100011215527_100012232248 [0,1,0,0,0,0|3,0,0]=4 5551 B11R0.40 C=CC(C)COCCCOCC 7a_100011215527_100012232248 [0,1,0,0,0,0|3,0,0]=4 5552 B11R0.40 C=CC(C)COCCOCCC 34a_100011215527_100011215938 [0,1,0,0,0,0|3,0,0]=4 5553 B11R0.40 C=CC(C)COCCOCCC 7a_100011215527_100011215938 [0,1,0,0,0,0|3,0,0]=4 5554 B11R0.40 C=CC(C)COCOCCCC 34a_100011215527_100011995733 [0,1,0,0,0,0|3,0,0]=4 5555 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [0,1,0,0,0,0|2,0,0]=3 5556 B11R0.40 C=CC(C)OCCCCCCF 34a_100000695699_100015922095 [0,1,0,0,0,0|3,0,0]=4 5557 B11R0.40 C=CC(C)OCCCCCCO 34a_100000695699_100000766143 [0,1,0,0,0,0|3,0,0]=4 5558 B11R0.40 C=CC(C)OCCOCCCC 34a_100000695699_100000743108 [0,1,0,0,0,0|3,0,0]=4 5559 B11R0.40 C=CC(C)SCCCCCC=O 62a_100011215867_100000139337 [0,1,0,0,0,0|1,0,2]=4 5560 B11R0.40 C=CC(C)SCCCCCCC 62a_100011215867_100000210316 [0,1,0,0,0,0|2,0,0]=3 5561 B11R0.40 C=CC(C)SCCCCCCF 62a_100011215867_100015922095 [0,1,0,0,0,0|3,0,0]=4 5562 B11R0.40 C=CC(C)SCCCCCCO 62a_100011215867_100000766143 [0,1,0,0,0,0|3,0,0]=4 5563 B11R0.40 C=CC(C)SCCOCCCC 62a_100011215867_100000743108 [0,1,0,0,0,0|3,0,0]=4 5564 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [0,1,0,0,0,0|2,0,0]=3 5565 B11R0.40 C=CC(O)CNCCCCCO 2230a_100000762737_100000730141 [0,1,0,0,0,0|3,0,0]=4 5566 B11R0.40 C=CC(O)CNCCCCCO 34a_100000762737_100000730141 [0,1,0,0,0,0|3,0,0]=4 5567 B11R0.40 C=CC(O)CNCCCOCC 2230a_100000210961_100000730141 [0,1,0,0,0,0|3,0,0]=4 5568 B11R0.40 C=CC(O)CNCCCOCC 34a_100000210961_100000730141 [0,1,0,0,0,0|3,0,0]=4 5569 B11R0.40 C=CC(O)CNCCOCCC 2230a_100161115042_100000730141 [0,1,0,0,0,0|3,0,0]=4 5570 B11R0.40 C=CC(O)CNCCOCCC 34a_100161115042_100000730141 [0,1,0,0,0,0|3,0,0]=4 5571 B11R0.40 C=CC(O)CNCCSCCC 2230a_100020603323_100000730141 [0,1,0,0,0,0|3,0,0]=4 5572 B11R0.40 C=CC(O)COCCCCCBr 34a_100000746331_100000730141 [0,1,0,0,0,0|3,0,0]=4 5573 B11R0.40 C=CC(O)COCCCCCBr 7a_100000746331_100000730141 [0,1,0,0,0,0|3,0,0]=4 5574 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [0,1,0,0,0,0|2,0,0]=3 5575 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [0,1,0,0,0,0|2,0,0]=3 5576 B11R0.40 C=CC(O)COCCCCCCl 34a_100000746330_100000730141 [0,1,0,0,0,0|3,0,0]=4 5577 B11R0.40 C=CC(O)COCCCCCCl 7a_100000746330_100000730141 [0,1,0,0,0,0|3,0,0]=4 5578 B11R0.40 C=CC(O)COCCCCCI 34a_200012148887_100000730141 [0,1,0,0,0,0|3,0,0]=4 5579 B11R0.40 C=CC(O)COCCCCCI 7a_200012148887_100000730141 [0,1,0,0,0,0|3,0,0]=4 5580 B11R0.40 C=CC(O)COCCCCCN 34a_100000762737_100000730141 [0,1,0,0,0,0|3,0,0]=4 5581 B11R0.40 C=CC(O)COCCCCOC 34a_100000740925_100000730141 [0,1,0,0,0,0|3,0,0]=4 5582 B11R0.40 C=CC(O)COCCCCSC 34a_100011217163_100000730141 [0,1,0,0,0,0|3,0,0]=4 5583 B11R0.40 C=CC(O)COCCCCSC 7a_100011217163_100000730141 [0,1,0,0,0,0|3,0,0]=4 5584 B11R0.40 C=CC(O)COCCCOCC 34a_100000757476_100000730141 [0,1,0,0,0,0|3,0,0]=4 5585 B11R0.40 C=CC(O)COCCCOCC 7a_100000757476_100000730141 [0,1,0,0,0,0|3,0,0]=4 5586 B11R0.40 C=CC(O)COCCCSCC 34a_100011216438_100000730141 [0,1,0,0,0,0|3,0,0]=4 5587 B11R0.40 C=CC(O)COCCCSCC 7a_100011216438_100000730141 [0,1,0,0,0,0|3,0,0]=4 5588 B11R0.40 C=CC(O)COCCOCCC 34a_100000752267_100000730141 [0,1,0,0,0,0|3,0,0]=4 5589 B11R0.40 C=CC(O)COCCOCCC 7a_100000752267_100000730141 [0,1,0,0,0,0|3,0,0]=4 5590 B11R0.40 C=CC(O)COCCSCCC 34a_200000230433_100000730141 [0,1,0,0,0,0|3,0,0]=4 5591 B11R0.40 C=CC(O)COCCSCCC 7a_200000230433_100000730141 [0,1,0,0,0,0|3,0,0]=4 5592 B11R0.40 C=CC(O)CSCCCCC=O 62a_100000139335_100000730141 [0,1,0,0,0,0|1,0,2]=4 5593 B11R0.40 C=CC(O)CSCCCCC=O 62a_100000730141_100000139335 [0,1,0,0,0,0|1,0,2]=4 5594 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [0,1,0,0,0,0|2,0,0]=3 5595 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [0,1,0,0,0,0|2,0,0]=3 5596 B11R0.40 C=CC(O)CSCCCCCF 62a_100000729378_100000730141 [0,1,0,0,0,0|3,0,0]=4 5597 B11R0.40 C=CC(O)CSCCCCCF 62a_100000730141_100000729378 [0,1,0,0,0,0|3,0,0]=4 5598 B11R0.40 C=CC(O)CSCCCCCO 62a_100000730141_100000746330 [0,1,0,0,0,0|3,0,0]=4 5599 B11R0.40 C=CC(O)CSCCCCCO 62a_100000746330_100000730141 [0,1,0,0,0,0|3,0,0]=4 5600 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730141_100000730899 [0,1,0,0,0,0|3,0,0]=4 5601 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730899_100000730141 [0,1,0,0,0,0|3,0,0]=4 5602 B11R0.40 C=CC(O)CSCCCOCC 62a_100000730141_100012232248 [0,1,0,0,0,0|3,0,0]=4 5603 B11R0.40 C=CC(O)CSCCCOCC 62a_100012232248_100000730141 [0,1,0,0,0,0|3,0,0]=4 5604 B11R0.40 C=CC(O)CSCCOCCC 62a_100000730141_100011215938 [0,1,0,0,0,0|3,0,0]=4 5605 B11R0.40 C=CC(O)CSCCOCCC 62a_100011215938_100000730141 [0,1,0,0,0,0|3,0,0]=4 5606 B11R0.40 C=CC(O)CSCOCCCC 62a_100000730141_100011995733 [0,1,0,0,0,0|3,0,0]=4 5607 B11R0.40 C=CC(O)CSCOCCCC 62a_100011995733_100000730141 [0,1,0,0,0,0|3,0,0]=4 5608 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,1,0,0,0,0|1,0,1]=3 5609 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,1,0,0,0,0|1,0,1]=3 5610 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [0,1,0,0,0,0|2,0,1]=4 5611 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,1,0,0,0,0|2,0,1]=4 5612 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [0,1,0,0,0,0|2,0,1]=4 5613 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [0,1,0,0,0,0|2,0,1]=4 5614 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [0,1,0,0,0,0|2,0,1]=4 5615 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [0,1,0,0,0,0|2,0,1]=4 5616 B11R0.40 C=CCCCCCCN(C)CC 2230a_100000225621_100011215473 [0,1,0,0,0,0|2,0,0]=3 5617 B11R0.40 C=CCCCCCCN(C)CC 269982a_100000225621_100011215473 [0,1,0,0,0,0|2,0,0]=3 5618 B11R0.40 C=CCCCCCNC(C)CC 2230a_100000209981_100000700193 [0,1,0,0,0,0|2,0,0]=3 5619 B11R0.40 C=CCCCCCN[C@H](C)CO 2230a_100000737577_100000700193 [0,1,0,0,0,0|3,0,0]=4 5620 B11R0.40 C=CCCCCCOC(C)CC 34a_100011216702_100011215416 [0,1,0,0,0,0|2,0,0]=3 5621 B11R0.40 C=CCCCCCOC(C)CC 7a_100000210228_100000700193 [0,1,0,0,0,0|2,0,0]=3 5622 B11R0.40 C=CCCCCCOC(C)CC 7a_100011216702_100000758301 [0,1,0,0,0,0|2,0,0]=3 5623 B11R0.40 C=CCCCCCOC(C)CF 34a_100016041109_100000700193 [0,1,0,0,0,0|3,0,0]=4 5624 B11R0.40 C=CCCCCCOC(C)CF 7a_100016041109_100000700193 [0,1,0,0,0,0|3,0,0]=4 5625 B11R0.40 C=CCCCCCOC(C)CN 34a_100000210904_100000700193 [0,1,0,0,0,0|3,0,0]=4 5626 B11R0.40 C=CCCCCCOC(C)CO 34a_100011216702_100012180447 [0,1,0,0,0,0|3,0,0]=4 5627 B11R0.40 C=CCCCCCOC(C)CO 7a_100011216702_100012180447 [0,1,0,0,0,0|3,0,0]=4 5628 B11R0.40 C=CCCCCCSC(C)CC 62a_100000700193_100000758301 [0,1,0,0,0,0|2,0,0]=3 5629 B11R0.40 C=CCCCCCSC(C)CC 62a_100000758301_100000700193 [0,1,0,0,0,0|2,0,0]=3 5630 B11R0.40 C=CCCCCCSC(C)CO 62a_100012180447_100000700193 [0,1,0,0,0,0|3,0,0]=4 5631 B11R0.40 C=CCCCCCSC(C)OC 62a_100000700193_100009879195 [0,1,0,0,0,0|3,0,0]=4 5632 B11R0.40 C=CCCCCCSC(C)OC 62a_100009879195_100000700193 [0,1,0,0,0,0|3,0,0]=4 5633 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100000700193_100016084084 [0,1,0,0,0,0|3,0,0]=4 5634 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100016084084_100000700193 [0,1,0,0,0,0|3,0,0]=4 5635 B11R0.40 C=CCCCCNCC(C)CC 2230a_100000703577_100000748023 [0,1,0,0,0,0|2,0,0]=3 5636 B11R0.40 C=CCCCCNCC(C)CC 2230a_100020588543_100011215482 [0,1,0,0,0,0|2,0,0]=3 5637 B11R0.40 C=CCCCCNCC(C)CC 270004a_100000703577_100000243153 [0,1,0,0,0,0|2,0,0]=3 5638 B11R0.40 C=CCCCCNCC(C)CC 34a_100000703577_100000748023 [0,1,0,0,0,0|2,0,0]=3 5639 B11R0.40 C=CCCCCNCC(C)CO 34a_100000744482_100011215482 [0,1,0,0,0,0|3,0,0]=4 5640 B11R0.40 C=CCCCCNCC(O)CC 2230a_100000703577_100011218378 [0,1,0,0,0,0|2,0,0]=3 5641 B11R0.40 C=CCCCCNCC(O)CC 2230a_100011218483_100011215482 [0,1,0,0,0,0|2,0,0]=3 5642 B11R0.40 C=CCCCCNCC(O)CC 34a_100000703577_100011218378 [0,1,0,0,0,0|2,0,0]=3 5643 B11R0.40 C=CCCCCNCC(O)CO 2230a_100000703577_100011219619 [0,1,0,0,0,0|3,0,0]=4 5644 B11R0.40 C=CCCCCNCC(O)CO 34a_100000703577_100011219619 [0,1,0,0,0,0|3,0,0]=4 5645 B11R0.40 C=CCCCCNC[C@@H](C)CC 2230a_100000703577_100009816398 [0,1,0,0,0,0|2,0,0]=3 5646 B11R0.40 C=CCCCCNC[C@@H](C)CC 34a_100000703577_100009816398 [0,1,0,0,0,0|2,0,0]=3 5647 B11R0.40 C=CCCCCNC[C@@H](C)CO 2230a_100000703577_100000059175 [0,1,0,0,0,0|3,0,0]=4 5648 B11R0.40 C=CCCCCNC[C@@H](C)CO 34a_100000703577_100000059175 [0,1,0,0,0,0|3,0,0]=4 5649 B11R0.40 C=CCCCCNC[C@@H](C)OC 2230a_100020591295_100011215482 [0,1,0,0,0,0|3,0,0]=4 5650 B11R0.40 C=CCCCCNC[C@@H](F)CO 34a_100015665980_100011215482 [0,1,0,0,0,0|3,0,0]=4 5651 B11R0.40 C=CCCCCNC[C@@H](O)CF 2230a_100000703577_100015614560 [0,1,0,0,0,0|3,0,0]=4 5652 B11R0.40 C=CCCCCNC[C@@H](O)CF 34a_100000703577_100015614560 [0,1,0,0,0,0|3,0,0]=4 5653 B11R0.40 C=CCCCCNC[C@@H](O)CO 2230a_100000703577_100009815848 [0,1,0,0,0,0|3,0,0]=4 5654 B11R0.40 C=CCCCCNC[C@@H](O)CO 34a_100000703577_100009815848 [0,1,0,0,0,0|3,0,0]=4 5655 B11R0.40 C=CCCCCNC[C@H](O)CO 2230a_100020644852_100011215482 [0,1,0,0,0,0|3,0,0]=4 5656 B11R0.40 C=CCCCCOCC(=O)CC 34a_100000725409_100011215482 [0,1,0,0,0,0|2,0,1]=4 5657 B11R0.40 C=CCCCCOCC(=O)CC 7a_100000766645_100000747405 [0,1,0,0,0,0|2,0,1]=4 5658 B11R0.40 C=CCCCCOCC(C)CC 34a_100000766645_100000748023 [0,1,0,0,0,0|2,0,0]=3 5659 B11R0.40 C=CCCCCOCC(C)CC 7a_100000766645_100000748023 [0,1,0,0,0,0|2,0,0]=3 5660 B11R0.40 C=CCCCCOCC(C)CN 34a_100000744482_100011215482 [0,1,0,0,0,0|3,0,0]=4 5661 B11R0.40 C=CCCCCOCC(C)OC 34a_100000690652_100011215482 [0,1,0,0,0,0|3,0,0]=4 5662 B11R0.40 C=CCCCCOCC(Cl)CCl 34a_100000033668_100011215482 [0,1,0,0,0,0|3,0,0]=4 5663 B11R0.40 C=CCCCCOCC(O)CC 34a_100000766645_100011218378 [0,1,0,0,0,0|2,0,0]=3 5664 B11R0.40 C=CCCCCOCC(O)CC 7a_100000766645_100011218378 [0,1,0,0,0,0|2,0,0]=3 5665 B11R0.40 C=CCCCCOCC(O)CO 34a_100000766645_100011219619 [0,1,0,0,0,0|3,0,0]=4 5666 B11R0.40 C=CCCCCOCC(O)CO 7a_100000766645_100011219619 [0,1,0,0,0,0|3,0,0]=4 5667 B11R0.40 C=CCCCCOC[C@@H](C)CC 34a_100000766645_100009816398 [0,1,0,0,0,0|2,0,0]=3 5668 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100000766645_100009816398 [0,1,0,0,0,0|2,0,0]=3 5669 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100009816381_100011215482 [0,1,0,0,0,0|2,0,0]=3 5670 B11R0.40 C=CCCCCOC[C@@H](C)CO 34a_100000766645_100000059175 [0,1,0,0,0,0|3,0,0]=4 5671 B11R0.40 C=CCCCCOC[C@@H](C)CO 7a_100000766645_100000059175 [0,1,0,0,0,0|3,0,0]=4 5672 B11R0.40 C=CCCCCOC[C@@H](O)CF 34a_100000766645_100015614560 [0,1,0,0,0,0|3,0,0]=4 5673 B11R0.40 C=CCCCCOC[C@@H](O)CF 7a_100000766645_100015614560 [0,1,0,0,0,0|3,0,0]=4 5674 B11R0.40 C=CCCCCOC[C@@H](O)CO 34a_100000766645_100009815848 [0,1,0,0,0,0|3,0,0]=4 5675 B11R0.40 C=CCCCCOC[C@@H](O)CO 7a_100000766645_100009815848 [0,1,0,0,0,0|3,0,0]=4 5676 B11R0.40 C=CCCCCOC[C@H](F)CN 34a_100015665980_100011215482 [0,1,0,0,0,0|3,0,0]=4 5677 B11R0.40 C=CCCCCSCC(=O)CC 62a_100000747405_100011215482 [0,1,0,0,0,0|2,0,1]=4 5678 B11R0.40 C=CCCCCSCC(=O)CC 62a_100011215482_100000747405 [0,1,0,0,0,0|2,0,1]=4 5679 B11R0.40 C=CCCCCSCC(C)CC 62a_100000748023_100011215482 [0,1,0,0,0,0|2,0,0]=3 5680 B11R0.40 C=CCCCCSCC(C)CC 62a_100011215482_100000748023 [0,1,0,0,0,0|2,0,0]=3 5681 B11R0.40 C=CCCCCSCC(O)CC 62a_100011215482_100011218378 [0,1,0,0,0,0|2,0,0]=3 5682 B11R0.40 C=CCCCCSCC(O)CC 62a_100011218378_100011215482 [0,1,0,0,0,0|2,0,0]=3 5683 B11R0.40 C=CCCCCSCC(O)CO 62a_100011215482_100011219619 [0,1,0,0,0,0|3,0,0]=4 5684 B11R0.40 C=CCCCCSCC(O)CO 62a_100011219619_100011215482 [0,1,0,0,0,0|3,0,0]=4 5685 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100009816398_100011215482 [0,1,0,0,0,0|2,0,0]=3 5686 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100011215482_100009816398 [0,1,0,0,0,0|2,0,0]=3 5687 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100000059175_100011215482 [0,1,0,0,0,0|3,0,0]=4 5688 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100011215482_100000059175 [0,1,0,0,0,0|3,0,0]=4 5689 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100011215482_100015614560 [0,1,0,0,0,0|3,0,0]=4 5690 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100015614560_100011215482 [0,1,0,0,0,0|3,0,0]=4 5691 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100009815848_100011215482 [0,1,0,0,0,0|3,0,0]=4 5692 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100011215482_100009815848 [0,1,0,0,0,0|3,0,0]=4 5693 B11R0.40 C=CCCCNCCC(C)CC 2230a_100020591266_100011713584 [0,1,0,0,0,0|2,0,0]=3 5694 B11R0.40 C=CCCCNCCC(C)CO 2230a_106354213184_100011713584 [0,1,0,0,0,0|3,0,0]=4 5695 B11R0.40 C=CCCCNCCC(C)CO 34a_106354213184_100000757094 [0,1,0,0,0,0|3,0,0]=4 5696 B11R0.40 C=CCCCOCCC(C)CC 7a_100011215188_100000757094 [0,1,0,0,0,0|2,0,0]=3 5697 B11R0.40 C=CCCCOCCC(C)OC 7a_100000764861_100000757094 [0,1,0,0,0,0|3,0,0]=4 5698 B11R0.40 C=CCCNCCCN(C)CC 2230a_100015191253_100015186262 [0,1,0,0,0,0|3,0,0]=4 5699 B11R0.40 C=CCCOCCCC(C)CC 7a_100011216074_100000754431 [0,1,0,0,0,0|2,0,0]=3 5700 B11R0.40 C=CCCOCCC[C@@H](C)CN 34a_100160569302_100000754431 [0,1,0,0,0,0|3,0,0]=4 5701 B11R0.40 C=CCCSCCCN(C)CC 62a_100000754431_100015186262 [0,1,0,0,0,0|3,0,0]=4 5702 B11R0.40 C=CCOCCOCC(C)CC 34a_100000037705_100000748023 [0,1,0,0,0,0|3,0,0]=4 5703 B11R0.40 C=CCOCCOCC(C)CC 7a_100000037705_100000748023 [0,1,0,0,0,0|3,0,0]=4 5704 B11R0.40 C=CCOCCOCC(O)CC 34a_100000037705_100011218378 [0,1,0,0,0,0|3,0,0]=4 5705 B11R0.40 C=CCOCCOCC(O)CC 7a_100000037705_100011218378 [0,1,0,0,0,0|3,0,0]=4 5706 B11R0.40 C=CCOCCOC[C@@H](C)CC 34a_100000037705_100009816398 [0,1,0,0,0,0|3,0,0]=4 5707 B11R0.40 C=CCOCCOC[C@@H](C)CC 7a_100000037705_100009816398 [0,1,0,0,0,0|3,0,0]=4 5708 B11R0.40 C=COCCCCOC(C)CC 34a_100000031558_100011215416 [0,1,0,0,0,0|3,0,0]=4 5709 B11R0.40 C=COCCCCOC(C)CC 7a_100000031558_100000758301 [0,1,0,0,0,0|3,0,0]=4 5710 B11R0.40 C=COCCCNCC(C)CC 2230a_100000210767_100000748023 [0,1,0,0,0,0|3,0,0]=4 5711 B11R0.40 C=COCCCNCC(C)CC 270004a_100000210767_100000243153 [0,1,0,0,0,0|3,0,0]=4 5712 B11R0.40 C=COCCCNCC(C)CC 34a_100000210767_100000748023 [0,1,0,0,0,0|3,0,0]=4 5713 B11R0.40 C=COCCCNCC(O)CC 2230a_100000210767_100011218378 [0,1,0,0,0,0|3,0,0]=4 5714 B11R0.40 C=COCCCNCC(O)CC 34a_100000210767_100011218378 [0,1,0,0,0,0|3,0,0]=4 5715 B11R0.40 C=COCCCNC[C@@H](C)CC 2230a_100000210767_100009816398 [0,1,0,0,0,0|3,0,0]=4 5716 B11R0.40 C=COCCCNC[C@@H](C)CC 34a_100000210767_100009816398 [0,1,0,0,0,0|3,0,0]=4 5717 B11R0.40 C=COCCNCCC(C)CC 2230a_100020591266_100000039644 [0,1,0,0,0,0|3,0,0]=4 5718 B11R0.40 C=COCCOCCC(C)CC 7a_100011215188_100000039644 [0,1,0,0,0,0|3,0,0]=4 5719 B11R0.40 C=C[C@H](N)COCCCCCC 34a_100016989147_100000210314 [0,1,0,0,0,0|2,0,0]=3 5720 B11R0.40 C=C[C@H](N)COCCCCCF 34a_100016989147_100000729378 [0,1,0,0,0,0|3,0,0]=4 5721 B11R0.40 C=C[C@H](N)COCCCCCO 34a_100016989147_100000746330 [0,1,0,0,0,0|3,0,0]=4 5722 B11R0.40 C=C[C@H](N)COCCCCOC 34a_100016989147_100000755781 [0,1,0,0,0,0|3,0,0]=4 5723 B11R0.40 C=C[C@H](N)COCCCOCC 34a_100016989147_100012232248 [0,1,0,0,0,0|3,0,0]=4 5724 B11R0.40 C=C[C@H](N)COCCOCCC 34a_100016989147_100011215938 [0,1,0,0,0,0|3,0,0]=4 5725 B11R0.40 C=C[C@H](N)COCOCCCC 34a_100016989147_100011995733 [0,1,0,0,0,0|3,0,0]=4 5726 B11R0.40 CC(C#N)NCCCCCC=O 2230a_100000737613_100000139337 [0,1,0,0,0,0|2,0,1]=4 5727 B11R0.40 CC(C#N)SCCCCCC=O 62a_100000139337_100000703298 [0,1,0,0,0,0|2,0,1]=4 5728 B11R0.40 CC(C#N)SCCCCCC=O 62a_100000703298_100000139337 [0,1,0,0,0,0|2,0,1]=4 5729 B11R0.40 CC(CF)OCCCCCC=O 7a_100016041109_100000139337 [0,1,0,0,0,0|2,0,0]=3 5730 B11R0.40 CC(CO)CCNCCCC=O 2230a_106354213184_200011292268 [0,1,0,0,0,0|2,0,0]=3 5731 B11R0.40 CC(CO)SCCCCCC=O 62a_100012180447_100000139337 [0,1,0,0,0,0|2,0,0]=3 5732 B11R0.40 CC=CCCCOCC(C)CC 34a_100020645299_100000748023 [0,1,0,0,0,0|2,0,1]=4 5733 B11R0.40 CC=CCCCOCC(O)CC 34a_100020645299_100011218378 [0,1,0,0,0,0|2,0,1]=4 5734 B11R0.40 CC=CCCCOC[C@@H](C)CC 34a_100020645299_100009816398 [0,1,0,0,0,0|2,0,1]=4 5735 B11R0.40 CC=CCOCCCC(C)CC 7a_100011216074_100000070051 [0,1,0,0,0,0|2,0,1]=4 5736 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,1,0,0,0,0|1,0,2]=4 5737 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,1,0,0,0,0|0,0,3]=4 5738 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,1,0,0,0,0|0,0,3]=4 5739 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,1,0,0,0,0|2,0,1]=4 5740 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000139335_100000747405 [0,1,0,0,0,0|1,0,1]=3 5741 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000747405_100000139335 [0,1,0,0,0,0|1,0,1]=3 5742 B11R0.40 CCC(C)CCCCCOCF 7a_200000035636_100015361967 [0,1,0,0,0,0|2,0,1]=4 5743 B11R0.40 CCC(C)CCCOCCC#N 7a_100011216074_100000184422 [0,1,0,0,0,0|2,0,1]=4 5744 B11R0.40 CCC(C)CCCOCCCF 7a_100011216074_100011934791 [0,1,0,0,0,0|2,0,1]=4 5745 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [0,1,0,0,0,0|1,0,2]=4 5746 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [0,1,0,0,0,0|3,0,0]=4 5747 B11R0.40 CCC(C)CCCOCCSC 7a_100011216074_100000212216 [0,1,0,0,0,0|3,0,0]=4 5748 B11R0.40 CCC(C)CCNCCCC#N 2230a_100020591266_100000687738 [0,1,0,0,0,0|2,0,1]=4 5749 B11R0.40 CCC(C)CCNCCCC=O 2230a_100020591266_200011292268 [0,1,0,0,0,0|1,0,0]=2 5750 B11R0.40 CCC(C)CCNCCCCF 2230a_100020591266_100000729493 [0,1,0,0,0,0|2,0,1]=4 5751 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [0,1,0,0,0,0|1,0,2]=4 5752 B11R0.40 CCC(C)CCNCCCOC 2230a_100020591266_100000740836 [0,1,0,0,0,0|3,0,0]=4 5753 B11R0.40 CCC(C)CCOCCCC#N 7a_100011215188_100000687738 [0,1,0,0,0,0|2,0,1]=4 5754 B11R0.40 CCC(C)CCOCCCC=O 7a_100011215188_200011292268 [0,1,0,0,0,0|1,0,0]=2 5755 B11R0.40 CCC(C)CCOCCCCF 7a_100011215188_100000729493 [0,1,0,0,0,0|2,0,1]=4 5756 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [0,1,0,0,0,0|1,0,2]=4 5757 B11R0.40 CCC(C)CCOCCCOC 7a_100011215188_100000740836 [0,1,0,0,0,0|3,0,0]=4 5758 B11R0.40 CCC(C)CNCCCCC#N 2230a_100020588543_100000211819 [0,1,0,0,0,0|2,0,1]=4 5759 B11R0.40 CCC(C)CNCCCCC#N 270004a_100000751965_100000243153 [0,1,0,0,0,0|2,0,1]=4 5760 B11R0.40 CCC(C)CNCCCCC=O 2230a_100020588543_100000139335 [0,1,0,0,0,0|1,0,0]=2 5761 B11R0.40 CCC(C)CNCCCCCF 2230a_100020588543_100000729378 [0,1,0,0,0,0|2,0,1]=4 5762 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [0,1,0,0,0,0|1,0,2]=4 5763 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [0,1,0,0,0,0|1,0,2]=4 5764 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [0,1,0,0,0,0|1,0,2]=4 5765 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [0,1,0,0,0,0|1,0,2]=4 5766 B11R0.40 CCC(C)CNCCCCOC 2230a_100020588543_100000730899 [0,1,0,0,0,0|3,0,0]=4 5767 B11R0.40 CCC(C)COCCCCCBr 34a_100000746331_100000748023 [0,1,0,0,0,0|2,0,1]=4 5768 B11R0.40 CCC(C)COCCCCCBr 7a_100000746331_100000748023 [0,1,0,0,0,0|2,0,1]=4 5769 B11R0.40 CCC(C)COCCCCCCl 34a_100000746330_100000748023 [0,1,0,0,0,0|2,0,1]=4 5770 B11R0.40 CCC(C)COCCCCCCl 7a_100000746330_100000748023 [0,1,0,0,0,0|2,0,1]=4 5771 B11R0.40 CCC(C)COCCCCCI 34a_200012148887_100000748023 [0,1,0,0,0,0|2,0,1]=4 5772 B11R0.40 CCC(C)COCCCCCI 7a_200012148887_100000748023 [0,1,0,0,0,0|2,0,1]=4 5773 B11R0.40 CCC(C)COCCCCCN 34a_100000762737_100000748023 [0,1,0,0,0,0|2,0,1]=4 5774 B11R0.40 CCC(C)COCCCCOC 34a_100000740925_100000748023 [0,1,0,0,0,0|3,0,0]=4 5775 B11R0.40 CCC(C)COCCCCSC 34a_100011217163_100000748023 [0,1,0,0,0,0|3,0,0]=4 5776 B11R0.40 CCC(C)COCCCCSC 7a_100011217163_100000748023 [0,1,0,0,0,0|3,0,0]=4 5777 B11R0.40 CCC(C)CSCCCCC#N 62a_100000748023_100000211819 [0,1,0,0,0,0|2,0,1]=4 5778 B11R0.40 CCC(C)CSCCCCC#N 62a_100011219923_100000748023 [0,1,0,0,0,0|2,0,1]=4 5779 B11R0.40 CCC(C)CSCCCCC=O 62a_100000139335_100000748023 [0,1,0,0,0,0|1,0,0]=2 5780 B11R0.40 CCC(C)CSCCCCC=O 62a_100000748023_100000139335 [0,1,0,0,0,0|1,0,0]=2 5781 B11R0.40 CCC(C)CSCCCCCF 62a_100000729378_100000748023 [0,1,0,0,0,0|2,0,1]=4 5782 B11R0.40 CCC(C)CSCCCCCF 62a_100000748023_100000729378 [0,1,0,0,0,0|2,0,1]=4 5783 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [0,1,0,0,0,0|1,0,2]=4 5784 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [0,1,0,0,0,0|1,0,2]=4 5785 B11R0.40 CCC(C)CSCCCCOC 62a_100000730899_100000748023 [0,1,0,0,0,0|3,0,0]=4 5786 B11R0.40 CCC(C)CSCCCCOC 62a_100000748023_100000730899 [0,1,0,0,0,0|3,0,0]=4 5787 B11R0.40 CCC(C)NCCCCCC#N 2230a_100000209981_100009813376 [0,1,0,0,0,0|2,0,1]=4 5788 B11R0.40 CCC(C)NCCCCCC=O 2230a_100000209981_100000139337 [0,1,0,0,0,0|1,0,0]=2 5789 B11R0.40 CCC(C)NCCCCCCF 2230a_100000209981_100015922095 [0,1,0,0,0,0|2,0,1]=4 5790 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [0,1,0,0,0,0|1,0,2]=4 5791 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [0,1,0,0,0,0|1,0,2]=4 5792 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [0,1,0,0,0,0|1,0,2]=4 5793 B11R0.40 CCC(C)NCCCCCOC 2230a_100000747528_100000758301 [0,1,0,0,0,0|3,0,0]=4 5794 B11R0.40 CCC(C)NCCCCCOC 34a_100000747528_100011215416 [0,1,0,0,0,0|3,0,0]=4 5795 B11R0.40 CCC(C)OCCCCCC#N 7a_100000210228_100009813376 [0,1,0,0,0,0|2,0,1]=4 5796 B11R0.40 CCC(C)OCCCCCC=O 7a_100000210228_100000139337 [0,1,0,0,0,0|1,0,0]=2 5797 B11R0.40 CCC(C)OCCCCCCBr 34a_100011215345_100011215416 [0,1,0,0,0,0|2,0,1]=4 5798 B11R0.40 CCC(C)OCCCCCCBr 7a_100011215345_100000758301 [0,1,0,0,0,0|2,0,1]=4 5799 B11R0.40 CCC(C)OCCCCCCCl 34a_100000766143_100011215416 [0,1,0,0,0,0|2,0,1]=4 5800 B11R0.40 CCC(C)OCCCCCCCl 7a_100000766143_100000758301 [0,1,0,0,0,0|2,0,1]=4 5801 B11R0.40 CCC(C)OCCCCCCF 34a_100000732779_100011215416 [0,1,0,0,0,0|2,0,1]=4 5802 B11R0.40 CCC(C)OCCCCCCF 7a_100000210228_100015922095 [0,1,0,0,0,0|2,0,1]=4 5803 B11R0.40 CCC(C)OCCCCCCF 7a_100000732779_100000758301 [0,1,0,0,0,0|2,0,1]=4 5804 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [0,1,0,0,0,0|2,0,1]=4 5805 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,1,0,0,0,0|1,0,2]=4 5806 B11R0.40 CCC(C)OCCCCCNC 34a_100000722520_100011215416 [0,1,0,0,0,0|3,0,0]=4 5807 B11R0.40 CCC(C)SCCCCCC#N 62a_100000758301_100009813376 [0,1,0,0,0,0|2,0,1]=4 5808 B11R0.40 CCC(C)SCCCCCC#N 62a_100009813376_100000758301 [0,1,0,0,0,0|2,0,1]=4 5809 B11R0.40 CCC(C)SCCCCCC=O 62a_100000139337_100000758301 [0,1,0,0,0,0|1,0,0]=2 5810 B11R0.40 CCC(C)SCCCCCC=O 62a_100000758301_100000139337 [0,1,0,0,0,0|1,0,0]=2 5811 B11R0.40 CCC(C)SCCCCCCF 62a_100000758301_100015922095 [0,1,0,0,0,0|2,0,1]=4 5812 B11R0.40 CCC(C)SCCCCCCF 62a_100015922095_100000758301 [0,1,0,0,0,0|2,0,1]=4 5813 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [0,1,0,0,0,0|1,0,2]=4 5814 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [0,1,0,0,0,0|1,0,2]=4 5815 B11R0.40 CCC(O)CNCCCCC#N 2230a_100011218483_100000211819 [0,1,0,0,0,0|2,0,1]=4 5816 B11R0.40 CCC(O)CNCCCCC=O 2230a_100011218483_100000139335 [0,1,0,0,0,0|1,0,0]=2 5817 B11R0.40 CCC(O)CNCCCCCF 2230a_100011218483_100000729378 [0,1,0,0,0,0|2,0,1]=4 5818 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [0,1,0,0,0,0|1,0,2]=4 5819 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [0,1,0,0,0,0|1,0,2]=4 5820 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [0,1,0,0,0,0|1,0,2]=4 5821 B11R0.40 CCC(O)CNCCCCOC 2230a_100011218483_100000730899 [0,1,0,0,0,0|3,0,0]=4 5822 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [0,1,0,0,0,0|2,0,1]=4 5823 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [0,1,0,0,0,0|2,0,1]=4 5824 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [0,1,0,0,0,0|2,0,1]=4 5825 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [0,1,0,0,0,0|2,0,1]=4 5826 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [0,1,0,0,0,0|2,0,1]=4 5827 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [0,1,0,0,0,0|2,0,1]=4 5828 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [0,1,0,0,0,0|2,0,1]=4 5829 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [0,1,0,0,0,0|3,0,0]=4 5830 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [0,1,0,0,0,0|3,0,0]=4 5831 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [0,1,0,0,0,0|3,0,0]=4 5832 B11R0.40 CCC(O)CSCCCCC#N 62a_100011218378_100000211819 [0,1,0,0,0,0|2,0,1]=4 5833 B11R0.40 CCC(O)CSCCCCC#N 62a_100011219923_100011218378 [0,1,0,0,0,0|2,0,1]=4 5834 B11R0.40 CCC(O)CSCCCCC=O 62a_100000139335_100011218378 [0,1,0,0,0,0|1,0,0]=2 5835 B11R0.40 CCC(O)CSCCCCC=O 62a_100011218378_100000139335 [0,1,0,0,0,0|1,0,0]=2 5836 B11R0.40 CCC(O)CSCCCCCF 62a_100000729378_100011218378 [0,1,0,0,0,0|2,0,1]=4 5837 B11R0.40 CCC(O)CSCCCCCF 62a_100011218378_100000729378 [0,1,0,0,0,0|2,0,1]=4 5838 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [0,1,0,0,0,0|1,0,2]=4 5839 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [0,1,0,0,0,0|1,0,2]=4 5840 B11R0.40 CCC(O)CSCCCCOC 62a_100000730899_100011218378 [0,1,0,0,0,0|3,0,0]=4 5841 B11R0.40 CCC(O)CSCCCCOC 62a_100011218378_100000730899 [0,1,0,0,0,0|3,0,0]=4 5842 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,1,0,0,0,0|1,0,2]=4 5843 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,1,0,0,0,0|1,0,2]=4 5844 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,1,0,0,0,0|1,0,2]=4 5845 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,1,0,0,0,0|0,0,3]=4 5846 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,1,0,0,0,0|2,0,1]=4 5847 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,1,0,0,0,0|2,0,1]=4 5848 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,1,0,0,0,0|2,0,1]=4 5849 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,1,0,0,0,0|2,0,1]=4 5850 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,1,0,0,0,0|2,0,0]=3 5851 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,1,0,0,0,0|2,0,0]=3 5852 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,1,0,0,0,0|2,0,0]=3 5853 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,1,0,0,0,0|2,0,0]=3 5854 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,1,0,0,0,0|2,0,0]=3 5855 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,1,0,0,0,0|2,0,1]=4 5856 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,1,0,0,0,0|2,0,1]=4 5857 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,1,0,0,0,0|2,0,1]=4 5858 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,1,0,0,0,0|2,0,1]=4 5859 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [0,1,0,0,0,0|2,0,1]=4 5860 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000229938_100000184139 [0,1,0,0,0,0|2,0,1]=4 5861 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000737613_100000210681 [0,1,0,0,0,0|2,0,1]=4 5862 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,1,0,0,0,0|2,0,1]=4 5863 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,1,0,0,0,0|2,0,1]=4 5864 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,1,0,0,0,0|1,0,2]=4 5865 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,1,0,0,0,0|1,0,2]=4 5866 B11R0.40 CCCCCCCOC(C)C#N 34a_100011218135_100000210614 [0,1,0,0,0,0|2,0,1]=4 5867 B11R0.40 CCCCCCCOC(C)C#N 7a_100000210272_100000703298 [0,1,0,0,0,0|2,0,1]=4 5868 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [0,1,0,0,0,0|2,0,1]=4 5869 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [0,1,0,0,0,0|2,0,1]=4 5870 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [0,1,0,0,0,0|2,0,1]=4 5871 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [0,1,0,0,0,0|2,0,1]=4 5872 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [0,1,0,0,0,0|2,0,1]=4 5873 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [0,1,0,0,0,0|2,0,1]=4 5874 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,1,0,0,0,0|1,0,2]=4 5875 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,1,0,0,0,0|1,0,2]=4 5876 B11R0.40 CCCCCCCSC(C)C#N 62a_100000210614_100000703298 [0,1,0,0,0,0|2,0,1]=4 5877 B11R0.40 CCCCCCCSC(C)C#N 62a_100000703298_100000210316 [0,1,0,0,0,0|2,0,1]=4 5878 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [0,1,0,0,0,0|2,0,1]=4 5879 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [0,1,0,0,0,0|2,0,1]=4 5880 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,1,0,0,0,0|1,0,2]=4 5881 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,1,0,0,0,0|3,0,0]=4 5882 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,1,0,0,0,0|3,0,0]=4 5883 B11R0.40 CCCCCCCSC(F)C#N 62a_100000210614_200000117898 [0,1,0,0,0,0|2,0,1]=4 5884 B11R0.40 CCCCCCCSC(F)C#N 62a_200000117898_100000210316 [0,1,0,0,0,0|2,0,1]=4 5885 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,1,0,0,0,0|1,0,2]=4 5886 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,1,0,0,0,0|1,0,2]=4 5887 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [0,1,0,0,0,0|2,0,1]=4 5888 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [0,1,0,0,0,0|2,0,1]=4 5889 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [0,1,0,0,0,0|2,0,1]=4 5890 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,1,0,0,0,0|1,0,2]=4 5891 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,1,0,0,0,0|2,0,1]=4 5892 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,1,0,0,0,0|2,0,1]=4 5893 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,1,0,0,0,0|1,0,2]=4 5894 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [0,1,0,0,0,0|2,0,1]=4 5895 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,1,0,0,0,0|1,0,2]=4 5896 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,1,0,0,0,0|3,0,0]=4 5897 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,1,0,0,0,0|1,0,2]=4 5898 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [0,1,0,0,0,0|2,0,1]=4 5899 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,1,0,0,0,0|1,0,2]=4 5900 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,1,0,0,0,0|1,0,2]=4 5901 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [0,1,0,0,0,0|2,0,1]=4 5902 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [0,1,0,0,0,0|2,0,1]=4 5903 B11R0.40 CCCCCCOCC(C)CN 34a_100000744482_100000210314 [0,1,0,0,0,0|2,0,1]=4 5904 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,1,0,0,0,0|3,0,0]=4 5905 B11R0.40 CCCCCCOCC(Cl)CCl 34a_100000033668_100000210314 [0,1,0,0,0,0|2,0,1]=4 5906 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,1,0,0,0,0|2,0,1]=4 5907 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,1,0,0,0,0|2,0,1]=4 5908 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,1,0,0,0,0|1,0,2]=4 5909 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,1,0,0,0,0|1,0,2]=4 5910 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [0,1,0,0,0,0|2,0,1]=4 5911 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [0,1,0,0,0,0|2,0,1]=4 5912 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [0,1,0,0,0,0|2,0,1]=4 5913 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,1,0,0,0,0|1,0,2]=4 5914 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,1,0,0,0,0|1,0,2]=4 5915 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [0,1,0,0,0,0|2,0,1]=4 5916 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [0,1,0,0,0,0|2,0,1]=4 5917 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,1,0,0,0,0|1,0,2]=4 5918 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,1,0,0,0,0|1,0,2]=4 5919 B11R0.40 CCCCCCOC[C@H](F)CN 34a_100015665980_100000210314 [0,1,0,0,0,0|2,0,1]=4 5920 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [0,1,0,0,0,0|2,0,1]=4 5921 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [0,1,0,0,0,0|2,0,1]=4 5922 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,1,0,0,0,0|2,0,1]=4 5923 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,1,0,0,0,0|2,0,1]=4 5924 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,1,0,0,0,0|1,0,2]=4 5925 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,1,0,0,0,0|1,0,2]=4 5926 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [0,1,0,0,0,0|2,0,1]=4 5927 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [0,1,0,0,0,0|2,0,1]=4 5928 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,1,0,0,0,0|1,0,2]=4 5929 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,1,0,0,0,0|1,0,2]=4 5930 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [0,1,0,0,0,0|2,0,1]=4 5931 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [0,1,0,0,0,0|2,0,1]=4 5932 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,1,0,0,0,0|1,0,2]=4 5933 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,1,0,0,0,0|1,0,2]=4 5934 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [0,1,0,0,0,0|2,0,1]=4 5935 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,1,0,0,0,0|1,0,2]=4 5936 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,1,0,0,0,0|1,0,2]=4 5937 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [0,1,0,0,0,0|2,0,1]=4 5938 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [0,1,0,0,0,0|3,0,0]=4 5939 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [0,1,0,0,0,0|2,0,1]=4 5940 B11R0.40 CCCCOCCC[C@@H](C)CN 34a_100160569302_100000210210 [0,1,0,0,0,0|2,0,1]=4 5941 B11R0.40 CCN(C)CCCCCCC#N 2230a_100000225621_100009813337 [0,1,0,0,0,0|2,0,1]=4 5942 B11R0.40 CCN(C)CCCCCCC#N 269982a_100000225621_100009813337 [0,1,0,0,0,0|2,0,1]=4 5943 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,1,0,0,0,0|1,0,2]=4 5944 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,1,0,0,0,0|1,0,2]=4 5945 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [0,1,0,0,0,0|3,0,0]=4 5946 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [0,1,0,0,0,0|3,0,0]=4 5947 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [0,1,0,0,0,0|2,0,1]=4 5948 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [0,1,0,0,0,0|1,0,2]=4 5949 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [0,1,0,0,0,0|1,0,2]=4 5950 B11R0.40 CC[C@H](C)COCCCCC#N 7a_100009816381_100000211819 [0,1,0,0,0,0|2,0,1]=4 5951 B11R0.40 CC[C@H](C)COCCCCC=O 7a_100009816381_100000139335 [0,1,0,0,0,0|1,0,0]=2 5952 B11R0.40 CC[C@H](C)COCCCCCBr 34a_100000746331_100009816398 [0,1,0,0,0,0|2,0,1]=4 5953 B11R0.40 CC[C@H](C)COCCCCCBr 7a_100000746331_100009816398 [0,1,0,0,0,0|2,0,1]=4 5954 B11R0.40 CC[C@H](C)COCCCCCCl 34a_100000746330_100009816398 [0,1,0,0,0,0|2,0,1]=4 5955 B11R0.40 CC[C@H](C)COCCCCCCl 7a_100000746330_100009816398 [0,1,0,0,0,0|2,0,1]=4 5956 B11R0.40 CC[C@H](C)COCCCCCF 7a_100009816381_100000729378 [0,1,0,0,0,0|2,0,1]=4 5957 B11R0.40 CC[C@H](C)COCCCCCI 34a_200012148887_100009816398 [0,1,0,0,0,0|2,0,1]=4 5958 B11R0.40 CC[C@H](C)COCCCCCI 7a_200012148887_100009816398 [0,1,0,0,0,0|2,0,1]=4 5959 B11R0.40 CC[C@H](C)COCCCCCN 34a_100000762737_100009816398 [0,1,0,0,0,0|2,0,1]=4 5960 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [0,1,0,0,0,0|1,0,2]=4 5961 B11R0.40 CC[C@H](C)COCCCCOC 34a_100000740925_100009816398 [0,1,0,0,0,0|3,0,0]=4 5962 B11R0.40 CC[C@H](C)COCCCCOC 7a_100009816381_100000730899 [0,1,0,0,0,0|3,0,0]=4 5963 B11R0.40 CC[C@H](C)COCCCCSC 34a_100011217163_100009816398 [0,1,0,0,0,0|3,0,0]=4 5964 B11R0.40 CC[C@H](C)COCCCCSC 7a_100011217163_100009816398 [0,1,0,0,0,0|3,0,0]=4 5965 B11R0.40 CC[C@H](C)CSCCCCC#N 62a_100009816398_100000211819 [0,1,0,0,0,0|2,0,1]=4 5966 B11R0.40 CC[C@H](C)CSCCCCC#N 62a_100011219923_100009816398 [0,1,0,0,0,0|2,0,1]=4 5967 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100000139335_100009816398 [0,1,0,0,0,0|1,0,0]=2 5968 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100009816398_100000139335 [0,1,0,0,0,0|1,0,0]=2 5969 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100000729378_100009816398 [0,1,0,0,0,0|2,0,1]=4 5970 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100009816398_100000729378 [0,1,0,0,0,0|2,0,1]=4 5971 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [0,1,0,0,0,0|1,0,2]=4 5972 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [0,1,0,0,0,0|1,0,2]=4 5973 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100000730899_100009816398 [0,1,0,0,0,0|3,0,0]=4 5974 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100009816398_100000730899 [0,1,0,0,0,0|3,0,0]=4 5975 B11R0.40 CNC(=O)CCNCCCC=O 2230a_100000738227_200011292268 [0,1,0,0,0,0|2,0,1]=4 5976 B11R0.40 CNC(=O)CCSCCCC=O 62a_100000737683_200011292268 [0,1,0,0,0,0|2,0,1]=4 5977 B11R0.40 CNC(=O)CCSCCCC=O 62a_200011292268_100000737683 [0,1,0,0,0,0|2,0,1]=4 5978 B11R0.40 CNC(=O)CNCCCCC=O 2230a_100000693194_100000139335 [0,1,0,0,0,0|2,0,1]=4 5979 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000139335_100000183359 [0,1,0,0,0,0|2,0,1]=4 5980 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000183359_100000139335 [0,1,0,0,0,0|2,0,1]=4 5981 B11R0.40 COC(=O)CCCCOCC=O 34a_100000059025_200009817547 [0,1,0,0,0,0|2,0,1]=4 5982 B11R0.40 COC(=O)CCCCOCC=O 7a_100000059025_200015260668 [0,1,0,0,0,0|2,0,1]=4 5983 B11R0.40 COC(=O)CCCCSCC=O 62a_100000204269_200015260668 [0,1,0,0,0,0|2,0,1]=4 5984 B11R0.40 COC(=O)CCCCSCC=O 62a_200015260668_100000204269 [0,1,0,0,0,0|2,0,1]=4 5985 B11R0.40 COC(=O)CCSCCCC=O 62a_100000204255_200011292268 [0,1,0,0,0,0|2,0,1]=4 5986 B11R0.40 COC(=O)CCSCCCC=O 62a_200011292268_100000204255 [0,1,0,0,0,0|2,0,1]=4 5987 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [0,1,0,0,0,0|2,0,1]=4 5988 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [0,1,0,0,0,0|2,0,1]=4 5989 B11R0.40 COC(C)CCOCCCC=O 7a_100000764861_200011292268 [0,1,0,0,0,0|2,0,0]=3 5990 B11R0.40 COC(C)SCCCCCC=O 62a_100000139337_100009879195 [0,1,0,0,0,0|2,0,0]=3 5991 B11R0.40 COC(C)SCCCCCC=O 62a_100009879195_100000139337 [0,1,0,0,0,0|2,0,0]=3 5992 B11R0.40 CO[C@H](C)CNCCCCC=O 2230a_100020591295_100000139335 [0,1,0,0,0,0|2,0,0]=3 5993 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000059175_100000139335 [0,1,0,0,0,0|2,0,0]=3 5994 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000139335_100000059175 [0,1,0,0,0,0|2,0,0]=3 5995 B11R0.40 C[C@H](CO)NCCCCCC=O 2230a_100000737577_100000139337 [0,1,0,0,0,0|2,0,0]=3 5996 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100000139337_100016084084 [0,1,0,0,0,0|2,0,0]=3 5997 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100016084084_100000139337 [0,1,0,0,0,0|2,0,0]=3 5998 B11R0.40 N#CC(F)SCCCCCC=O 62a_100000139337_200000117898 [0,1,0,0,0,0|2,0,1]=4 5999 B11R0.40 N#CC(F)SCCCCCC=O 62a_200000117898_100000139337 [0,1,0,0,0,0|2,0,1]=4 6000 B11R0.40 O=CCCCCNC[C@H](O)CO 2230a_100020644852_100000139335 [0,1,0,0,0,0|2,0,0]=3 6001 B11R0.40 O=CCCCCSCC(O)CO 62a_100000139335_100011219619 [0,1,0,0,0,0|2,0,0]=3 6002 B11R0.40 O=CCCCCSCC(O)CO 62a_100011219619_100000139335 [0,1,0,0,0,0|2,0,0]=3 6003 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100000139335_100015614560 [0,1,0,0,0,0|2,0,0]=3 6004 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100015614560_100000139335 [0,1,0,0,0,0|2,0,0]=3 6005 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100000139335_100009815848 [0,1,0,0,0,0|2,0,0]=3 6006 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100009815848_100000139335 [0,1,0,0,0,0|2,0,0]=3 6007 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [0,1,0,0,0,0|1,0,2]=4 6008 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [0,1,0,0,0,0|1,0,2]=4 6009 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000210183_100010269958 [0,1,0,0,0,0|1,0,2]=4 6010 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000696528_100000210211 [0,1,0,0,0,0|1,0,2]=4 6011 B11R0.81 C#CCCCCN(C)CCCC 2230a_100000207549_100010269958 [0,1,0,0,0,0|2,0,1]=4 6012 B11R0.81 C#CCCCCN(C)CCCC 269982a_100000207549_100010269958 [0,1,0,0,0,0|2,0,1]=4 6013 B11R0.81 C#CCCCNC(C)CCCC 2230a_100000126638_100000731252 [0,1,0,0,0,0|2,0,1]=4 6014 B11R0.81 C#CCCCNC(C)CCCC 270004a_100000718082_100000210087 [0,1,0,0,0,0|2,0,1]=4 6015 B11R0.81 C#CCCCNC(C)CCCC 34a_100000718082_200011215066 [0,1,0,0,0,0|2,0,1]=4 6016 B11R0.81 C#CCCCOC(C)CCCC 34a_100000215630_200011215066 [0,1,0,0,0,0|2,0,1]=4 6017 B11R0.81 C#CCCCOC(C)CCCC 34a_100000687866_100000695029 [0,1,0,0,0,0|2,0,1]=4 6018 B11R0.81 C#CCCCOC(C)CCCC 7a_100000215630_200011215066 [0,1,0,0,0,0|2,0,1]=4 6019 B11R0.81 C#CCCCOC(C)CCCC 7a_100000687866_100011215417 [0,1,0,0,0,0|2,0,1]=4 6020 B11R0.81 C#CCCCSC(C)CCCC 62a_100011215417_200011215066 [0,1,0,0,0,0|2,0,1]=4 6021 B11R0.81 C#CCCCSC(C)CCCC 62a_200011215066_100011215417 [0,1,0,0,0,0|2,0,1]=4 6022 B11R0.81 C#CCCN(C)CCCCCC 2230a_106256046315_100000688953 [0,1,0,0,0,0|2,0,1]=4 6023 B11R0.81 C#CCCN(C)CCCCCC 269982a_106256046315_100000730999 [0,1,0,0,0,0|2,0,1]=4 6024 B11R0.81 C#CCCOCC(C)CCCC 34a_100011995851_100000688953 [0,1,0,0,0,0|2,0,1]=4 6025 B11R0.81 C#CCCOCC(C)CCCC 7a_100011995851_100000688953 [0,1,0,0,0,0|2,0,1]=4 6026 B11R0.81 C#CCCOC[C@@H](N)CCCC 34a_100011934283_100000688953 [0,1,0,0,0,0|2,0,1]=4 6027 B11R0.81 C#CCNC(C)CCCCCC 2230a_100000210919_100000038162 [0,1,0,0,0,0|2,0,1]=4 6028 B11R0.81 C#CCNC(C)CCCCCC 34a_100000210919_100000184674 [0,1,0,0,0,0|2,0,1]=4 6029 B11R0.81 C#CCNC(C)CCCCCC 34a_100000212058_100011215978 [0,1,0,0,0,0|2,0,1]=4 6030 B11R0.81 C#CCOC(C)CCCCCC 34a_100000210247_100011215978 [0,1,0,0,0,0|2,0,1]=4 6031 B11R0.81 C#CCOC(C)CCCCCC 34a_100000210265_100000184674 [0,1,0,0,0,0|2,0,1]=4 6032 B11R0.81 C#CCOC(C)CCCCCC 7a_100000210265_100000038162 [0,1,0,0,0,0|2,0,1]=4 6033 B11R0.81 C#CCSC(C)CCCCCC 62a_100000038162_100011215978 [0,1,0,0,0,0|2,0,1]=4 6034 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [0,1,0,0,0,0|1,0,2]=4 6035 B11R0.81 C/C=C/CCOC(C)CCCC 34a_100016278192_200011215066 [0,1,0,0,0,0|2,0,1]=4 6036 B11R0.81 C/C=C/CN(C)CCCCCC 269982a_106256046315_100102629194 [0,1,0,0,0,0|2,0,1]=4 6037 B11R0.81 C/C=C/COCC(C)CCCC 34a_100011995851_100102629194 [0,1,0,0,0,0|2,0,1]=4 6038 B11R0.81 C/C=C/COCC(C)CCCC 7a_100011995851_100102629194 [0,1,0,0,0,0|2,0,1]=4 6039 B11R0.81 C/C=C/COC[C@@H](N)CCCC 34a_100011934283_100102629194 [0,1,0,0,0,0|2,0,1]=4 6040 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,1,0,0,0,0|1,0,1]=3 6041 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,1,0,0,0,0|1,0,1]=3 6042 B11R0.81 C=CCCC(=O)CCCCCF 1458a_100000749702_100000729378 [0,1,0,0,0,0|2,0,1]=4 6043 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [0,1,0,0,0,0|2,0,1]=4 6044 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [0,1,0,0,0,0|2,0,1]=4 6045 B11R0.81 C=CCCC(=O)CCCCOC 1458a_100000749702_100000755781 [0,1,0,0,0,0|2,0,1]=4 6046 B11R0.81 C=CCCC(=O)CCCOCC 1458a_100000749702_100012232248 [0,1,0,0,0,0|2,0,1]=4 6047 B11R0.81 C=CCCC(=O)CCOCCC 1458a_100000749702_100011215938 [0,1,0,0,0,0|2,0,1]=4 6048 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000749702_100011995733 [0,1,0,0,0,0|2,0,1]=4 6049 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000757543_100000754431 [0,1,0,0,0,0|2,0,1]=4 6050 B11R0.81 C=CCCC(=O)CSCCCC 1458a_100000191162_100000754431 [0,1,0,0,0,0|2,0,1]=4 6051 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [0,1,0,0,0,0|2,0,1]=4 6052 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [0,1,0,0,0,0|2,0,1]=4 6053 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [0,1,0,0,0,0|2,0,1]=4 6054 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [0,1,0,0,0,0|2,0,1]=4 6055 B11R0.81 C=CCCC(C)NCCCCC 270004a_100000209983_100000762624 [0,1,0,0,0,0|2,0,0]=3 6056 B11R0.81 C=CCCC(C)NCCCCO 270004a_100000750430_100000762624 [0,1,0,0,0,0|3,0,0]=4 6057 B11R0.81 C=CCCC(C)NCCCOC 270004a_100150723488_100000762624 [0,1,0,0,0,0|3,0,0]=4 6058 B11R0.81 C=CCCC(C)NCCCSC 270004a_100000749238_100000762624 [0,1,0,0,0,0|3,0,0]=4 6059 B11R0.81 C=CCCC(C)NCCOCC 270004a_102516460346_100000762624 [0,1,0,0,0,0|3,0,0]=4 6060 B11R0.81 C=CCCC(C)NCCSCC 270004a_100000106463_100000762624 [0,1,0,0,0,0|3,0,0]=4 6061 B11R0.81 C=CCCC(C)OCCCC=O 7a_100000765329_200011292268 [0,1,0,0,0,0|1,0,2]=4 6062 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [0,1,0,0,0,0|2,0,0]=3 6063 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [0,1,0,0,0,0|2,0,0]=3 6064 B11R0.81 C=CCCC(C)OCCCCF 34a_100000765329_100000729493 [0,1,0,0,0,0|3,0,0]=4 6065 B11R0.81 C=CCCC(C)OCCCCF 7a_100000765329_100000729493 [0,1,0,0,0,0|3,0,0]=4 6066 B11R0.81 C=CCCC(C)OCCCCO 34a_100000765329_100011216708 [0,1,0,0,0,0|3,0,0]=4 6067 B11R0.81 C=CCCC(C)OCCCCO 7a_100000765329_100000210776 [0,1,0,0,0,0|3,0,0]=4 6068 B11R0.81 C=CCCC(C)OCCCOC 34a_100000765329_100000740836 [0,1,0,0,0,0|3,0,0]=4 6069 B11R0.81 C=CCCC(C)OCCCOC 7a_100000765329_100000740836 [0,1,0,0,0,0|3,0,0]=4 6070 B11R0.81 C=CCCC(C)OCCOCC 34a_100000765329_100000210147 [0,1,0,0,0,0|3,0,0]=4 6071 B11R0.81 C=CCCC(C)OCCOCC 7a_100000765329_100011215890 [0,1,0,0,0,0|3,0,0]=4 6072 B11R0.81 C=CCCC(C)OCCSCC 34a_100000765329_100000757381 [0,1,0,0,0,0|3,0,0]=4 6073 B11R0.81 C=CCCC(C)OCCSCC 7a_100000765329_100000757381 [0,1,0,0,0,0|3,0,0]=4 6074 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [0,1,0,0,0,0|1,0,1]=3 6075 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [0,1,0,0,0,0|1,0,1]=3 6076 B11R0.81 C=CCCCCC(=O)CCCF 1458a_100011215552_100011934791 [0,1,0,0,0,0|2,0,1]=4 6077 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [0,1,0,0,0,0|2,0,1]=4 6078 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100000749529_100011215482 [0,1,0,0,0,0|2,0,1]=4 6079 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100011215552_100000233755 [0,1,0,0,0,0|2,0,1]=4 6080 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100000174002_100011215482 [0,1,0,0,0,0|2,0,1]=4 6081 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100011215552_100000751147 [0,1,0,0,0,0|2,0,1]=4 6082 B11R0.81 C=CCCCCC(=O)COCC 1458a_100000211967_100011215482 [0,1,0,0,0,0|2,0,1]=4 6083 B11R0.81 C=CCCCCC(=O)CSCC 1458a_100000230394_100011215482 [0,1,0,0,0,0|2,0,1]=4 6084 B11R0.81 C=CCCCCC(=O)NCCC 11a_100020643023_100011215552 [0,1,0,0,0,0|2,0,1]=4 6085 B11R0.81 C=CCCCCC(=O)NCCC 1626a_100020643023_100011215552 [0,1,0,0,0,0|2,0,1]=4 6086 B11R0.81 C=CCCCCC(=O)NCCC 240690a_100020643023_100011215552 [0,1,0,0,0,0|2,0,1]=4 6087 B11R0.81 C=CCCCCC(=O)NCCC 527a_100020643023_100011215552 [0,1,0,0,0,0|2,0,1]=4 6088 B11R0.81 C=CCCCCN(C)CCCC 2230a_100000207549_100011215482 [0,1,0,0,0,0|2,0,0]=3 6089 B11R0.81 C=CCCCCN(C)CCCC 2230a_100012000471_100000210211 [0,1,0,0,0,0|2,0,0]=3 6090 B11R0.81 C=CCCCCN(C)CCCC 269982a_100000207549_100011215482 [0,1,0,0,0,0|2,0,0]=3 6091 B11R0.81 C=CCCCCN(C)CCCC 269982a_100012000471_100000210211 [0,1,0,0,0,0|2,0,0]=3 6092 B11R0.81 C=CCCCCN(C)CCCF 2230a_100012000471_100011934791 [0,1,0,0,0,0|3,0,0]=4 6093 B11R0.81 C=CCCCCN(C)CCCF 269982a_100012000471_100011934791 [0,1,0,0,0,0|3,0,0]=4 6094 B11R0.81 C=CCCCCN(C)CCCO 2230a_100000213112_100011215482 [0,1,0,0,0,0|3,0,0]=4 6095 B11R0.81 C=CCCCCN(C)CCCO 2230a_100012000471_100000230001 [0,1,0,0,0,0|3,0,0]=4 6096 B11R0.81 C=CCCCCN(C)CCCO 269982a_100000213112_100011215482 [0,1,0,0,0,0|3,0,0]=4 6097 B11R0.81 C=CCCCCN(C)CCCO 269982a_100012000471_100011215043 [0,1,0,0,0,0|3,0,0]=4 6098 B11R0.81 C=CCCCCN(C)CCOC 2230a_100000743101_100011215482 [0,1,0,0,0,0|3,0,0]=4 6099 B11R0.81 C=CCCCCN(C)CCOC 2230a_100012000471_100011201679 [0,1,0,0,0,0|3,0,0]=4 6100 B11R0.81 C=CCCCCN(C)CCOC 269982a_100000743101_100011215482 [0,1,0,0,0,0|3,0,0]=4 6101 B11R0.81 C=CCCCCN(C)CCOC 269982a_100012000471_100000233755 [0,1,0,0,0,0|3,0,0]=4 6102 B11R0.81 C=CCCCCN(C)CCSC 2230a_100000686725_100011215482 [0,1,0,0,0,0|3,0,0]=4 6103 B11R0.81 C=CCCCCN(C)CCSC 2230a_100012000471_100000751147 [0,1,0,0,0,0|3,0,0]=4 6104 B11R0.81 C=CCCCCN(C)CCSC 269982a_100000686725_100011215482 [0,1,0,0,0,0|3,0,0]=4 6105 B11R0.81 C=CCCCCN(C)CCSC 269982a_100012000471_100000212216 [0,1,0,0,0,0|3,0,0]=4 6106 B11R0.81 C=CCCCCN(C)COCC 269982a_100012000471_100000739092 [0,1,0,0,0,0|3,0,0]=4 6107 B11R0.81 C=CCCCNC(=O)CCCC 11a_100000700776_100000210183 [0,1,0,0,0,0|2,0,1]=4 6108 B11R0.81 C=CCCCNC(=O)CCCC 1626a_100000700776_100000210183 [0,1,0,0,0,0|2,0,1]=4 6109 B11R0.81 C=CCCCNC(=O)CCCC 240690a_100000700776_100000210183 [0,1,0,0,0,0|2,0,1]=4 6110 B11R0.81 C=CCCCNC(=O)CCCC 527a_100000700776_100000210183 [0,1,0,0,0,0|2,0,1]=4 6111 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000126638_100011713584 [0,1,0,0,0,0|2,0,0]=3 6112 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000700776_200011215066 [0,1,0,0,0,0|2,0,0]=3 6113 B11R0.81 C=CCCCNC(C)CCCC 270004a_100000700776_100000210087 [0,1,0,0,0,0|2,0,0]=3 6114 B11R0.81 C=CCCCNC(C)CCCC 34a_100000700776_200011215066 [0,1,0,0,0,0|2,0,0]=3 6115 B11R0.81 C=CCCCNC(C)CCOC 270004a_100000700776_100000742357 [0,1,0,0,0,0|3,0,0]=4 6116 B11R0.81 C=CCCCNC(C)CCSC 270004a_100000700776_100011217047 [0,1,0,0,0,0|3,0,0]=4 6117 B11R0.81 C=CCCCNC(C)CSCC 270004a_100000700776_200011216171 [0,1,0,0,0,0|3,0,0]=4 6118 B11R0.81 C=CCCCOC(C)CCCC 34a_100000687866_100000757094 [0,1,0,0,0,0|2,0,0]=3 6119 B11R0.81 C=CCCCOC(C)CCCC 34a_100000758997_200011215066 [0,1,0,0,0,0|2,0,0]=3 6120 B11R0.81 C=CCCCOC(C)CCCC 7a_100000687866_100000757094 [0,1,0,0,0,0|2,0,0]=3 6121 B11R0.81 C=CCCCOC(C)CCCC 7a_100000758997_200011215066 [0,1,0,0,0,0|2,0,0]=3 6122 B11R0.81 C=CCCCOC(C)CCCCl 34a_200000718107_100000757094 [0,1,0,0,0,0|3,0,0]=4 6123 B11R0.81 C=CCCCOC(C)CCCCl 7a_200000718107_100000757094 [0,1,0,0,0,0|3,0,0]=4 6124 B11R0.81 C=CCCCOC(C)COCC 34a_100000718985_100000757094 [0,1,0,0,0,0|3,0,0]=4 6125 B11R0.81 C=CCCCOC(C)COCC 7a_100000718985_100000757094 [0,1,0,0,0,0|3,0,0]=4 6126 B11R0.81 C=CCCCSC(C)CCCC 62a_100011713584_200011215066 [0,1,0,0,0,0|2,0,0]=3 6127 B11R0.81 C=CCCCSC(C)CCCC 62a_200011215066_100000757094 [0,1,0,0,0,0|2,0,0]=3 6128 B11R0.81 C=CCCN(C)CCCCC=O 2230a_100020639649_100000139335 [0,1,0,0,0,0|1,0,2]=4 6129 B11R0.81 C=CCCN(C)CCCCC=O 269982a_100020639649_100000139335 [0,1,0,0,0,0|1,0,2]=4 6130 B11R0.81 C=CCCN(C)CCCCCC 2230a_100020639649_100000210314 [0,1,0,0,0,0|2,0,0]=3 6131 B11R0.81 C=CCCN(C)CCCCCC 2230a_106256046315_100000754431 [0,1,0,0,0,0|2,0,0]=3 6132 B11R0.81 C=CCCN(C)CCCCCC 269982a_100020639649_100000210757 [0,1,0,0,0,0|2,0,0]=3 6133 B11R0.81 C=CCCN(C)CCCCCC 269982a_106256046315_100000754431 [0,1,0,0,0,0|2,0,0]=3 6134 B11R0.81 C=CCCN(C)CCCCCF 2230a_100020639649_100000729378 [0,1,0,0,0,0|3,0,0]=4 6135 B11R0.81 C=CCCN(C)CCCCCF 269982a_100020639649_100000729378 [0,1,0,0,0,0|3,0,0]=4 6136 B11R0.81 C=CCCN(C)CCCCCO 2230a_100000722520_100000754431 [0,1,0,0,0,0|3,0,0]=4 6137 B11R0.81 C=CCCN(C)CCCCCO 2230a_100020639649_100000746330 [0,1,0,0,0,0|3,0,0]=4 6138 B11R0.81 C=CCCN(C)CCCCCO 269982a_100000722520_100000754431 [0,1,0,0,0,0|3,0,0]=4 6139 B11R0.81 C=CCCN(C)CCCCCO 269982a_100020639649_100000746330 [0,1,0,0,0,0|3,0,0]=4 6140 B11R0.81 C=CCCN(C)CCCCOC 2230a_100020639649_100000730899 [0,1,0,0,0,0|3,0,0]=4 6141 B11R0.81 C=CCCN(C)CCCCOC 269982a_100020639649_100000730899 [0,1,0,0,0,0|3,0,0]=4 6142 B11R0.81 C=CCCN(C)CCCOCC 2230a_100020639649_100012232248 [0,1,0,0,0,0|3,0,0]=4 6143 B11R0.81 C=CCCN(C)CCCOCC 269982a_100020639649_100012232248 [0,1,0,0,0,0|3,0,0]=4 6144 B11R0.81 C=CCCN(C)CCOCCC 2230a_100020639649_100011215938 [0,1,0,0,0,0|3,0,0]=4 6145 B11R0.81 C=CCCN(C)CCOCCC 269982a_100020639649_100011215938 [0,1,0,0,0,0|3,0,0]=4 6146 B11R0.81 C=CCCN(C)COCCCC 2230a_100020639649_100011995733 [0,1,0,0,0,0|3,0,0]=4 6147 B11R0.81 C=CCCN(C)COCCCC 269982a_100020639649_100011995733 [0,1,0,0,0,0|3,0,0]=4 6148 B11R0.81 C=CCCNCC(C)OCCC 2230a_100015185124_100000754431 [0,1,0,0,0,0|3,0,0]=4 6149 B11R0.81 C=CCCNCC(C)OCCC 34a_100015185124_100000754431 [0,1,0,0,0,0|3,0,0]=4 6150 B11R0.81 C=CCCNCC(O)COCC 2230a_102515437182_100000754431 [0,1,0,0,0,0|3,0,0]=4 6151 B11R0.81 C=CCCNCC(O)COCC 34a_102515437182_100000754431 [0,1,0,0,0,0|3,0,0]=4 6152 B11R0.81 C=CCCNC[C@H](C)CCCO 2230a_100160569302_100000754431 [0,1,0,0,0,0|3,0,0]=4 6153 B11R0.81 C=CCCNC[C@H](C)CCCO 34a_100160569302_100000754431 [0,1,0,0,0,0|3,0,0]=4 6154 B11R0.81 C=CCCOCC(C)CCCC 34a_100011995851_100000754431 [0,1,0,0,0,0|2,0,0]=3 6155 B11R0.81 C=CCCOCC(C)CCCC 7a_100011995851_100000754431 [0,1,0,0,0,0|2,0,0]=3 6156 B11R0.81 C=CCCOC[C@@H](N)CCCC 34a_100011934283_100000754431 [0,1,0,0,0,0|2,0,0]=3 6157 B11R0.81 C=CCCOC[C@@H](N)CCSC 34a_100011827619_100000754431 [0,1,0,0,0,0|3,0,0]=4 6158 B11R0.81 C=CCNC(=O)CCCCCC 1626a_100020586998_100102632555 [0,1,0,0,0,0|2,0,1]=4 6159 B11R0.81 C=CCNC(=O)CCCCCC 240690a_100020586998_100102632555 [0,1,0,0,0,0|2,0,1]=4 6160 B11R0.81 C=CCNC(=O)CCCCCC 527a_100020586998_100102632555 [0,1,0,0,0,0|2,0,1]=4 6161 B11R0.81 C=CCNC(C)CCCCCC 2230a_100000210919_100000210623 [0,1,0,0,0,0|2,0,0]=3 6162 B11R0.81 C=CCNC(C)CCCCCC 2230a_100020586998_100011215978 [0,1,0,0,0,0|2,0,0]=3 6163 B11R0.81 C=CCNC(C)CCCCCC 270004a_100020586998_100000210826 [0,1,0,0,0,0|2,0,0]=3 6164 B11R0.81 C=CCNC(C)CCCCCC 34a_100000210919_100015514636 [0,1,0,0,0,0|2,0,0]=3 6165 B11R0.81 C=CCOC(C)CCCCCC 34a_100000210265_100015514636 [0,1,0,0,0,0|2,0,0]=3 6166 B11R0.81 C=CCOC(C)CCCCCC 34a_200000210373_100011215978 [0,1,0,0,0,0|2,0,0]=3 6167 B11R0.81 C=CCOC(C)CCCCCC 7a_100000210265_100015514636 [0,1,0,0,0,0|2,0,0]=3 6168 B11R0.81 C=CCOC(C)COCCCC 34a_100011217071_100015514636 [0,1,0,0,0,0|3,0,0]=4 6169 B11R0.81 C=CCOC(C)COCCCC 7a_100011217071_100015514636 [0,1,0,0,0,0|3,0,0]=4 6170 B11R0.81 C=CCOCCC(=O)CCCC 1458a_200011217002_100000210211 [0,1,0,0,0,0|2,0,1]=4 6171 B11R0.81 C=CCSC(C)CCCCCC 62a_100000210623_100011215978 [0,1,0,0,0,0|2,0,0]=3 6172 B11R0.81 C=CCSC(C)CCCCCC 62a_100011215978_100000210623 [0,1,0,0,0,0|2,0,0]=3 6173 B11R0.81 C=COCCNC(C)CCCC 2230a_100000126638_100000039644 [0,1,0,0,0,0|3,0,0]=4 6174 B11R0.81 C=COCCOC(C)CCCC 34a_100000033082_200011215066 [0,1,0,0,0,0|3,0,0]=4 6175 B11R0.81 C=COCCOC(C)CCCC 34a_100000687866_100000039644 [0,1,0,0,0,0|3,0,0]=4 6176 B11R0.81 C=COCCOC(C)CCCC 7a_100000687866_100000039644 [0,1,0,0,0,0|3,0,0]=4 6177 B11R0.81 C=COCCSC(C)CCCC 62a_100000039644_200011215066 [0,1,0,0,0,0|3,0,0]=4 6178 B11R0.81 C=COCCSC(C)CCCC 62a_200011215066_100000039644 [0,1,0,0,0,0|3,0,0]=4 6179 B11R0.81 CC(CCCCl)OCCCC=O 7a_200000718107_200011292268 [0,1,0,0,0,0|2,0,0]=3 6180 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [0,1,0,0,0,0|1,0,2]=4 6181 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [0,1,0,0,0,0|1,0,2]=4 6182 B11R0.81 CC=CCN(C)CCCCCC 2230a_106256046315_100000070051 [0,1,0,0,0,0|2,0,1]=4 6183 B11R0.81 CC=CCOCC(C)CCCC 34a_100011995851_100000070051 [0,1,0,0,0,0|2,0,1]=4 6184 B11R0.81 CC=CCOCC(C)CCCC 7a_100011995851_100000070051 [0,1,0,0,0,0|2,0,1]=4 6185 B11R0.81 CC=CCOC[C@@H](N)CCCC 34a_100011934283_100000070051 [0,1,0,0,0,0|2,0,1]=4 6186 B11R0.81 CCC#CC(C)OCCCC=O 7a_100000033903_200011292268 [0,1,0,0,0,0|1,0,2]=4 6187 B11R0.81 CCCCC(=O)CCCCC#N 1458a_100000210183_100000211819 [0,1,0,0,0,0|1,0,2]=4 6188 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,1,0,0,0,0|1,0,2]=4 6189 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,1,0,0,0,0|0,0,3]=4 6190 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,1,0,0,0,0|0,0,3]=4 6191 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,1,0,0,0,0|2,0,1]=4 6192 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [0,1,0,0,0,0|2,0,0]=3 6193 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [0,1,0,0,0,0|2,0,0]=3 6194 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [0,1,0,0,0,0|2,0,0]=3 6195 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [0,1,0,0,0,0|2,0,0]=3 6196 B11R0.81 CCCCC(C)COCCC#N 7a_100011995851_100000184422 [0,1,0,0,0,0|2,0,1]=4 6197 B11R0.81 CCCCC(C)COCCCF 34a_100011995851_100011934791 [0,1,0,0,0,0|2,0,1]=4 6198 B11R0.81 CCCCC(C)COCCCF 7a_100011995851_100011934791 [0,1,0,0,0,0|2,0,1]=4 6199 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [0,1,0,0,0,0|1,0,2]=4 6200 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [0,1,0,0,0,0|1,0,2]=4 6201 B11R0.81 CCCCC(C)COCCOC 34a_100011995851_100011201679 [0,1,0,0,0,0|3,0,0]=4 6202 B11R0.81 CCCCC(C)COCCOC 7a_100011995851_100000233755 [0,1,0,0,0,0|3,0,0]=4 6203 B11R0.81 CCCCC(C)COCCSC 34a_100011995851_100000212216 [0,1,0,0,0,0|3,0,0]=4 6204 B11R0.81 CCCCC(C)COCCSC 7a_100011995851_100000212216 [0,1,0,0,0,0|3,0,0]=4 6205 B11R0.81 CCCCC(C)NCCCC#N 2230a_100000126638_100000687738 [0,1,0,0,0,0|2,0,1]=4 6206 B11R0.81 CCCCC(C)NCCCC=O 2230a_100000126638_200011292268 [0,1,0,0,0,0|1,0,0]=2 6207 B11R0.81 CCCCC(C)NCCCCF 2230a_100000126638_100000729493 [0,1,0,0,0,0|2,0,1]=4 6208 B11R0.81 CCCCC(C)NCCCCO 2230a_100000126638_100000210776 [0,1,0,0,0,0|1,0,2]=4 6209 B11R0.81 CCCCC(C)NCCCCO 2230a_100000750430_200011215066 [0,1,0,0,0,0|1,0,2]=4 6210 B11R0.81 CCCCC(C)NCCCCO 270004a_100000750430_100000210087 [0,1,0,0,0,0|1,0,2]=4 6211 B11R0.81 CCCCC(C)NCCCCO 34a_100000750430_200011215066 [0,1,0,0,0,0|1,0,2]=4 6212 B11R0.81 CCCCC(C)NCCCOC 2230a_100000126638_100000740836 [0,1,0,0,0,0|3,0,0]=4 6213 B11R0.81 CCCCC(C)NCCCOC 270004a_100150723488_100000210087 [0,1,0,0,0,0|3,0,0]=4 6214 B11R0.81 CCCCC(C)NCCCOC 34a_100150723488_200011215066 [0,1,0,0,0,0|3,0,0]=4 6215 B11R0.81 CCCCC(C)NCCCSC 2230a_100000749238_200011215066 [0,1,0,0,0,0|3,0,0]=4 6216 B11R0.81 CCCCC(C)NCCCSC 270004a_100000749238_100000210087 [0,1,0,0,0,0|3,0,0]=4 6217 B11R0.81 CCCCC(C)OCCCC#N 7a_100000687866_100000687738 [0,1,0,0,0,0|2,0,1]=4 6218 B11R0.81 CCCCC(C)OCCCC=O 7a_100000687866_200011292268 [0,1,0,0,0,0|1,0,0]=2 6219 B11R0.81 CCCCC(C)OCCCCBr 34a_100011216708_200011215066 [0,1,0,0,0,0|2,0,1]=4 6220 B11R0.81 CCCCC(C)OCCCCCl 34a_100000210776_200011215066 [0,1,0,0,0,0|2,0,1]=4 6221 B11R0.81 CCCCC(C)OCCCCCl 7a_100000210776_200011215066 [0,1,0,0,0,0|2,0,1]=4 6222 B11R0.81 CCCCC(C)OCCCCF 34a_100000687866_100000729493 [0,1,0,0,0,0|2,0,1]=4 6223 B11R0.81 CCCCC(C)OCCCCF 34a_100011995726_200011215066 [0,1,0,0,0,0|2,0,1]=4 6224 B11R0.81 CCCCC(C)OCCCCF 7a_100000687866_100000729493 [0,1,0,0,0,0|2,0,1]=4 6225 B11R0.81 CCCCC(C)OCCCCF 7a_100011995726_200011215066 [0,1,0,0,0,0|2,0,1]=4 6226 B11R0.81 CCCCC(C)OCCCCI 34a_200012148704_200011215066 [0,1,0,0,0,0|2,0,1]=4 6227 B11R0.81 CCCCC(C)OCCCCN 34a_100000750430_200011215066 [0,1,0,0,0,0|2,0,1]=4 6228 B11R0.81 CCCCC(C)OCCCCO 34a_100000687866_100011216708 [0,1,0,0,0,0|1,0,2]=4 6229 B11R0.81 CCCCC(C)OCCCCO 7a_100000687866_100000210776 [0,1,0,0,0,0|1,0,2]=4 6230 B11R0.81 CCCCC(C)OCCCNC 34a_100000213112_200011215066 [0,1,0,0,0,0|3,0,0]=4 6231 B11R0.81 CCCCC(C)OCCCOC 34a_100000687866_100000740836 [0,1,0,0,0,0|3,0,0]=4 6232 B11R0.81 CCCCC(C)OCCCOC 34a_100000740835_200011215066 [0,1,0,0,0,0|3,0,0]=4 6233 B11R0.81 CCCCC(C)OCCCOC 7a_100000687866_100000740836 [0,1,0,0,0,0|3,0,0]=4 6234 B11R0.81 CCCCC(C)OCCCSC 34a_100000690336_200011215066 [0,1,0,0,0,0|3,0,0]=4 6235 B11R0.81 CCCCC(C)OCCCSC 7a_100000690336_200011215066 [0,1,0,0,0,0|3,0,0]=4 6236 B11R0.81 CCCCC(C)SCCCC#N 62a_100000687738_200011215066 [0,1,0,0,0,0|2,0,1]=4 6237 B11R0.81 CCCCC(C)SCCCC#N 62a_200011215066_100000687738 [0,1,0,0,0,0|2,0,1]=4 6238 B11R0.81 CCCCC(C)SCCCC=O 62a_200011215066_200011292268 [0,1,0,0,0,0|1,0,0]=2 6239 B11R0.81 CCCCC(C)SCCCC=O 62a_200011292268_200011215066 [0,1,0,0,0,0|1,0,0]=2 6240 B11R0.81 CCCCC(C)SCCCCF 62a_100000729493_200011215066 [0,1,0,0,0,0|2,0,1]=4 6241 B11R0.81 CCCCC(C)SCCCCF 62a_200011215066_100000729493 [0,1,0,0,0,0|2,0,1]=4 6242 B11R0.81 CCCCC(C)SCCCCO 62a_100000210776_200011215066 [0,1,0,0,0,0|1,0,2]=4 6243 B11R0.81 CCCCC(C)SCCCCO 62a_200011215066_100000210776 [0,1,0,0,0,0|1,0,2]=4 6244 B11R0.81 CCCCC(C)SCCCOC 62a_100000709357_200011215066 [0,1,0,0,0,0|3,0,0]=4 6245 B11R0.81 CCCCC(C)SCCCOC 62a_200011215066_100000709357 [0,1,0,0,0,0|3,0,0]=4 6246 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [0,1,0,0,0,0|1,0,2]=4 6247 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [0,1,0,0,0,0|1,0,2]=4 6248 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,1,0,0,0,0|1,0,2]=4 6249 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,1,0,0,0,0|1,0,2]=4 6250 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,1,0,0,0,0|1,0,2]=4 6251 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,1,0,0,0,0|0,0,3]=4 6252 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,1,0,0,0,0|2,0,1]=4 6253 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,1,0,0,0,0|2,0,1]=4 6254 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,1,0,0,0,0|2,0,1]=4 6255 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,1,0,0,0,0|2,0,1]=4 6256 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [0,1,0,0,0,0|2,0,0]=3 6257 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [0,1,0,0,0,0|2,0,0]=3 6258 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [0,1,0,0,0,0|2,0,0]=3 6259 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [0,1,0,0,0,0|2,0,0]=3 6260 B11R0.81 CCCCCCC(C)NCC#N 2230a_100000210919_100011215382 [0,1,0,0,0,0|2,0,1]=4 6261 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [0,1,0,0,0,0|1,0,0]=2 6262 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [0,1,0,0,0,0|1,0,0]=2 6263 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [0,1,0,0,0,0|2,0,1]=4 6264 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [0,1,0,0,0,0|2,0,1]=4 6265 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [0,1,0,0,0,0|2,0,1]=4 6266 B11R0.81 CCCCCCC(C)NCCF 2230a_100000210919_100011217306 [0,1,0,0,0,0|2,0,1]=4 6267 B11R0.81 CCCCCCC(C)NCCF 34a_100000210919_100011217306 [0,1,0,0,0,0|2,0,1]=4 6268 B11R0.81 CCCCCCC(C)NCCF 34a_100000724931_100011215978 [0,1,0,0,0,0|2,0,1]=4 6269 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [0,1,0,0,0,0|1,0,2]=4 6270 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [0,1,0,0,0,0|1,0,2]=4 6271 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [0,1,0,0,0,0|1,0,2]=4 6272 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [0,1,0,0,0,0|1,0,2]=4 6273 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [0,1,0,0,0,0|1,0,2]=4 6274 B11R0.81 CCCCCCC(C)NCOC 2230a_100000210919_100000766300 [0,1,0,0,0,0|3,0,0]=4 6275 B11R0.81 CCCCCCC(C)NCSC 2230a_100000210919_100011218213 [0,1,0,0,0,0|3,0,0]=4 6276 B11R0.81 CCCCCCC(C)NCSC 34a_100000210919_100011218213 [0,1,0,0,0,0|3,0,0]=4 6277 B11R0.81 CCCCCCC(C)OCC#N 7a_100000210265_100011215382 [0,1,0,0,0,0|2,0,1]=4 6278 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [0,1,0,0,0,0|1,0,0]=2 6279 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [0,1,0,0,0,0|1,0,0]=2 6280 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [0,1,0,0,0,0|2,0,1]=4 6281 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [0,1,0,0,0,0|2,0,1]=4 6282 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [0,1,0,0,0,0|2,0,1]=4 6283 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [0,1,0,0,0,0|2,0,1]=4 6284 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [0,1,0,0,0,0|2,0,1]=4 6285 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [0,1,0,0,0,0|2,0,1]=4 6286 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [0,1,0,0,0,0|2,0,1]=4 6287 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [0,1,0,0,0,0|1,0,2]=4 6288 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [0,1,0,0,0,0|1,0,2]=4 6289 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [0,1,0,0,0,0|3,0,0]=4 6290 B11R0.81 CCCCCCC(C)SCC#N 62a_100011215382_100011215978 [0,1,0,0,0,0|2,0,1]=4 6291 B11R0.81 CCCCCCC(C)SCC#N 62a_100011215978_100011215382 [0,1,0,0,0,0|2,0,1]=4 6292 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [0,1,0,0,0,0|1,0,0]=2 6293 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [0,1,0,0,0,0|1,0,0]=2 6294 B11R0.81 CCCCCCC(C)SCCC 62a_100000210303_100011215978 [0,1,0,0,0,0|2,0,1]=4 6295 B11R0.81 CCCCCCC(C)SCCC 62a_100011215978_100000210303 [0,1,0,0,0,0|2,0,1]=4 6296 B11R0.81 CCCCCCC(C)SCCF 62a_100011215978_100011217306 [0,1,0,0,0,0|2,0,1]=4 6297 B11R0.81 CCCCCCC(C)SCCF 62a_100011217306_100011215978 [0,1,0,0,0,0|2,0,1]=4 6298 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [0,1,0,0,0,0|1,0,2]=4 6299 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [0,1,0,0,0,0|1,0,2]=4 6300 B11R0.81 CCCCCCC(C)SCOC 62a_100000766300_100011215978 [0,1,0,0,0,0|3,0,0]=4 6301 B11R0.81 CCCCCCC(C)SCOC 62a_100011215978_100000766300 [0,1,0,0,0,0|3,0,0]=4 6302 B11R0.81 CCCCCCC(C)SCSC 62a_100011215978_100011218213 [0,1,0,0,0,0|3,0,0]=4 6303 B11R0.81 CCCCCCC(C)SCSC 62a_100011218213_100011215978 [0,1,0,0,0,0|3,0,0]=4 6304 B11R0.81 CCCCCCN(C)CCC#N 2230a_100000184479_100000210314 [0,1,0,0,0,0|2,0,1]=4 6305 B11R0.81 CCCCCCN(C)CCC#N 2230a_106256046315_100011215226 [0,1,0,0,0,0|2,0,1]=4 6306 B11R0.81 CCCCCCN(C)CCC#N 2230a_200000177771_200000210301 [0,1,0,0,0,0|2,0,1]=4 6307 B11R0.81 CCCCCCN(C)CCC#N 269982a_106256046315_100011215226 [0,1,0,0,0,0|2,0,1]=4 6308 B11R0.81 CCCCCCN(C)CCCC 2230a_100000207549_100000210314 [0,1,0,0,0,0|2,0,1]=4 6309 B11R0.81 CCCCCCN(C)CCCC 2230a_106256046315_100000210211 [0,1,0,0,0,0|2,0,1]=4 6310 B11R0.81 CCCCCCN(C)CCCC 2230a_200000207677_200000210301 [0,1,0,0,0,0|2,0,1]=4 6311 B11R0.81 CCCCCCN(C)CCCC 269982a_100000207549_100000210757 [0,1,0,0,0,0|2,0,1]=4 6312 B11R0.81 CCCCCCN(C)CCCC 269982a_106256046315_100000210211 [0,1,0,0,0,0|2,0,1]=4 6313 B11R0.81 CCCCCCN(C)CCCC 269982a_200000207677_200000210301 [0,1,0,0,0,0|2,0,1]=4 6314 B11R0.81 CCCCCCN(C)CCCF 2230a_106256046315_100011934791 [0,1,0,0,0,0|2,0,1]=4 6315 B11R0.81 CCCCCCN(C)CCCF 269982a_106256046315_100011934791 [0,1,0,0,0,0|2,0,1]=4 6316 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [0,1,0,0,0,0|1,0,2]=4 6317 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [0,1,0,0,0,0|1,0,2]=4 6318 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [0,1,0,0,0,0|1,0,2]=4 6319 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [0,1,0,0,0,0|1,0,2]=4 6320 B11R0.81 CCCCCCN(C)CCOC 2230a_100000743101_100000210314 [0,1,0,0,0,0|3,0,0]=4 6321 B11R0.81 CCCCCCN(C)CCOC 2230a_106256046315_100011201679 [0,1,0,0,0,0|3,0,0]=4 6322 B11R0.81 CCCCCCN(C)CCOC 269982a_100000743101_100000210757 [0,1,0,0,0,0|3,0,0]=4 6323 B11R0.81 CCCCCCN(C)CCOC 269982a_106256046315_100000233755 [0,1,0,0,0,0|3,0,0]=4 6324 B11R0.81 CCCCCCN(C)CCSC 2230a_100000686725_100000210314 [0,1,0,0,0,0|3,0,0]=4 6325 B11R0.81 CCCCCCN(C)CCSC 2230a_106256046315_100000751147 [0,1,0,0,0,0|3,0,0]=4 6326 B11R0.81 CCCCCCN(C)CCSC 269982a_100000686725_100000210757 [0,1,0,0,0,0|3,0,0]=4 6327 B11R0.81 CCCCCCN(C)CCSC 269982a_106256046315_100000212216 [0,1,0,0,0,0|3,0,0]=4 6328 B11R0.81 CCCCCCN([13CH3])CCC#N 2230a_200000177771_200025704644 [0,1,0,0,0,0|2,0,1]=4 6329 B11R0.81 CCCCCCN([13CH3])CCCC 2230a_200000207677_200025704644 [0,1,0,0,0,0|2,0,1]=4 6330 B11R0.81 CCCCCCN([13CH3])CCCC 269982a_200000207677_200025704644 [0,1,0,0,0,0|2,0,1]=4 6331 B11R0.81 CCCCCNC(C)CCCC 2230a_100000126638_100000210326 [0,1,0,0,0,0|2,0,1]=4 6332 B11R0.81 CCCCCNC(C)CCCC 2230a_100000209983_200011215066 [0,1,0,0,0,0|2,0,1]=4 6333 B11R0.81 CCCCCNC(C)CCCC 270004a_100000209983_100000210087 [0,1,0,0,0,0|2,0,1]=4 6334 B11R0.81 CCCCCNC(C)CCOC 270004a_100000209983_100000742357 [0,1,0,0,0,0|3,0,0]=4 6335 B11R0.81 CCCCCNC(C)CCSC 270004a_100000209983_100011217047 [0,1,0,0,0,0|3,0,0]=4 6336 B11R0.81 CCCCCOC(C)CCCC 34a_100000210253_200011215066 [0,1,0,0,0,0|2,0,1]=4 6337 B11R0.81 CCCCCOC(C)CCCC 34a_100000687866_100000718602 [0,1,0,0,0,0|2,0,1]=4 6338 B11R0.81 CCCCCOC(C)CCCC 7a_100000210253_200011215066 [0,1,0,0,0,0|2,0,1]=4 6339 B11R0.81 CCCCCOC(C)CCCC 7a_100000687866_100000210326 [0,1,0,0,0,0|2,0,1]=4 6340 B11R0.81 CCCCCOC(C)CCCCl 34a_200000718107_100000718602 [0,1,0,0,0,0|2,0,1]=4 6341 B11R0.81 CCCCCOC(C)CCCCl 7a_200000718107_100000210326 [0,1,0,0,0,0|2,0,1]=4 6342 B11R0.81 CCCCCSC(C)CCCC 62a_100000210326_200011215066 [0,1,0,0,0,0|2,0,1]=4 6343 B11R0.81 CCCCCSC(C)CCCC 62a_200011215066_100000210326 [0,1,0,0,0,0|2,0,1]=4 6344 B11R0.81 CCCCN(C)CCCCC#N 2230a_100000207549_100000211819 [0,1,0,0,0,0|2,0,1]=4 6345 B11R0.81 CCCCN(C)CCCCC#N 269982a_100000207549_100011219923 [0,1,0,0,0,0|2,0,1]=4 6346 B11R0.81 CCCCN(C)CCCCC=O 2230a_100000207549_100000139335 [0,1,0,0,0,0|1,0,0]=2 6347 B11R0.81 CCCCN(C)CCCCC=O 269982a_100000207549_100000139335 [0,1,0,0,0,0|1,0,0]=2 6348 B11R0.81 CCCCN(C)CCCCCF 2230a_100000207549_100000729378 [0,1,0,0,0,0|2,0,1]=4 6349 B11R0.81 CCCCN(C)CCCCCF 269982a_100000207549_100000729378 [0,1,0,0,0,0|2,0,1]=4 6350 B11R0.81 CCCCN(C)CCCCCO 2230a_100000207549_100000746330 [0,1,0,0,0,0|1,0,2]=4 6351 B11R0.81 CCCCN(C)CCCCCO 2230a_100000722520_100000210211 [0,1,0,0,0,0|1,0,2]=4 6352 B11R0.81 CCCCN(C)CCCCCO 269982a_100000207549_100000746330 [0,1,0,0,0,0|1,0,2]=4 6353 B11R0.81 CCCCN(C)CCCCCO 269982a_100000722520_100000210211 [0,1,0,0,0,0|1,0,2]=4 6354 B11R0.81 CCCCN(C)CCCCOC 2230a_100000207549_100000730899 [0,1,0,0,0,0|3,0,0]=4 6355 B11R0.81 CCCCN(C)CCCCOC 269982a_100000207549_100000730899 [0,1,0,0,0,0|3,0,0]=4 6356 B11R0.81 CCCCNC[C@H](C)CCCO 2230a_100160569302_100000210211 [0,1,0,0,0,0|1,0,2]=4 6357 B11R0.81 CCCCNC[C@H](C)CCCO 34a_100160569302_100000210210 [0,1,0,0,0,0|1,0,2]=4 6358 B11R0.81 CCCCOCC(C)CCCC 34a_100011995851_100000210210 [0,1,0,0,0,0|2,0,1]=4 6359 B11R0.81 CCCCOCC(C)CCCC 7a_100011995851_100000210211 [0,1,0,0,0,0|2,0,1]=4 6360 B11R0.81 CCCCOCC(C)OCC=O 34a_100011217071_200009817547 [0,1,0,0,0,0|2,0,0]=3 6361 B11R0.81 CCCCOCC(C)OCC=O 7a_100011217071_200015260668 [0,1,0,0,0,0|2,0,0]=3 6362 B11R0.81 CCCCOC[C@@H](N)CCCC 34a_100011934283_100000210210 [0,1,0,0,0,0|2,0,1]=4 6363 B11R0.81 CCCCOC[C@@H](N)CCSC 34a_100011827619_100000210210 [0,1,0,0,0,0|3,0,0]=4 6364 B11R0.81 CCCC[C@H](N)COCCCF 34a_100011934283_100011934791 [0,1,0,0,0,0|2,0,1]=4 6365 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [0,1,0,0,0,0|1,0,2]=4 6366 B11R0.81 CCCC[C@H](N)COCCOC 34a_100011934283_100011201679 [0,1,0,0,0,0|3,0,0]=4 6367 B11R0.81 CCCC[C@H](N)COCCSC 34a_100011934283_100000212216 [0,1,0,0,0,0|3,0,0]=4 6368 B11R0.81 CCOCC(C)OCCCC=O 7a_100000718985_200011292268 [0,1,0,0,0,0|2,0,0]=3 6369 B11R0.81 CN(CCC#N)CCCCC=O 2230a_100000184479_100000139335 [0,1,0,0,0,0|2,0,1]=4 6370 B11R0.81 CN(CCCO)CCCCC=O 2230a_100000213112_100000139335 [0,1,0,0,0,0|2,0,0]=3 6371 B11R0.81 CN(CCCO)CCCCC=O 269982a_100000213112_100000139335 [0,1,0,0,0,0|2,0,0]=3 6372 B11R0.81 COCCN(C)CCCCC=O 2230a_100000743101_100000139335 [0,1,0,0,0,0|2,0,0]=3 6373 B11R0.81 COCCN(C)CCCCC=O 269982a_100000743101_100000139335 [0,1,0,0,0,0|2,0,0]=3 6374 B11R0.81 CSCCN(C)CCCCC=O 2230a_100000686725_100000139335 [0,1,0,0,0,0|2,0,0]=3 6375 B11R0.81 CSCCN(C)CCCCC=O 269982a_100000686725_100000139335 [0,1,0,0,0,0|2,0,0]=3 6376 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000212188_100000731252 [0,1,0,0,0,0|1,0,2]=4 6377 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000690238_100000210326 [0,1,0,0,0,0|1,0,2]=4 6378 B11R0.140 C#CCCCN(C)CCCCC 2230a_100000223495_100000731252 [0,1,0,0,0,0|2,0,1]=4 6379 B11R0.140 C#CCCCN(C)CCCCC 269982a_100000223495_100011215417 [0,1,0,0,0,0|2,0,1]=4 6380 B11R0.140 C#CCCNC(C)CCCCC 2230a_100000211957_100000688953 [0,1,0,0,0,0|2,0,1]=4 6381 B11R0.140 C#CCCNC(C)CCCCC 34a_100000755551_200011218191 [0,1,0,0,0,0|2,0,1]=4 6382 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215631_200011218191 [0,1,0,0,0,0|2,0,1]=4 6383 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215632_100000688953 [0,1,0,0,0,0|2,0,1]=4 6384 B11R0.140 C#CCCOC(C)CCCCC 7a_100011215632_100000688953 [0,1,0,0,0,0|2,0,1]=4 6385 B11R0.140 C#CCCSC(C)CCCCC 62a_100000688953_200011218191 [0,1,0,0,0,0|2,0,1]=4 6386 B11R0.140 C#CCCSC(C)CCCCC 62a_200011218191_100000688953 [0,1,0,0,0,0|2,0,1]=4 6387 B11R0.140 C/C=C/COC(C)CCCCC 34a_100011215632_100102629194 [0,1,0,0,0,0|2,0,1]=4 6388 B11R0.140 C/C=C/COC(C)CCCCC 34a_100016270725_200011218191 [0,1,0,0,0,0|2,0,1]=4 6389 B11R0.140 C/C=C/COC(C)CCCCC 7a_100011215632_100102629194 [0,1,0,0,0,0|2,0,1]=4 6390 B11R0.140 C/C=C/CSC(C)CCCCC 62a_100102629194_200011218191 [0,1,0,0,0,0|2,0,1]=4 6391 B11R0.140 C/C=C/CSC(C)CCCCC 62a_200011218191_100102629194 [0,1,0,0,0,0|2,0,1]=4 6392 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [0,1,0,0,0,0|1,0,1]=3 6393 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [0,1,0,0,0,0|1,0,1]=3 6394 B11R0.140 C=CCCCC(=O)CCCCF 1458a_100000766728_100000729493 [0,1,0,0,0,0|2,0,1]=4 6395 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000695505_100000757094 [0,1,0,0,0,0|2,0,1]=4 6396 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000766728_100000210776 [0,1,0,0,0,0|2,0,1]=4 6397 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000741012_100000757094 [0,1,0,0,0,0|2,0,1]=4 6398 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000766728_100000740836 [0,1,0,0,0,0|2,0,1]=4 6399 B11R0.140 C=CCCCC(=O)CCCSC 1458a_100000173376_100000757094 [0,1,0,0,0,0|2,0,1]=4 6400 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000749530_100000757094 [0,1,0,0,0,0|2,0,1]=4 6401 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000766728_100011215890 [0,1,0,0,0,0|2,0,1]=4 6402 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000230768_100000757094 [0,1,0,0,0,0|2,0,1]=4 6403 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000766728_100000757381 [0,1,0,0,0,0|2,0,1]=4 6404 B11R0.140 C=CCCCC(=O)COCCC 1458a_100000745993_100000757094 [0,1,0,0,0,0|2,0,1]=4 6405 B11R0.140 C=CCCCC(=O)CSCCC 1458a_100000217233_100000757094 [0,1,0,0,0,0|2,0,1]=4 6406 B11R0.140 C=CCCCC(=O)NCCCC 11a_100000102301_100000766728 [0,1,0,0,0,0|2,0,1]=4 6407 B11R0.140 C=CCCCC(=O)NCCCC 1626a_100000102301_100000766728 [0,1,0,0,0,0|2,0,1]=4 6408 B11R0.140 C=CCCCC(=O)NCCCC 240690a_100000102301_100000766728 [0,1,0,0,0,0|2,0,1]=4 6409 B11R0.140 C=CCCCC(=O)NCCCC 527a_100000102301_100000766728 [0,1,0,0,0,0|2,0,1]=4 6410 B11R0.140 C=CCCCN(C)CCCCC 2230a_100000223495_100011713584 [0,1,0,0,0,0|2,0,0]=3 6411 B11R0.140 C=CCCCN(C)CCCCC 269982a_100000223495_100000757094 [0,1,0,0,0,0|2,0,0]=3 6412 B11R0.140 C=CCCCN(C)CCCCO 2230a_100000717598_100011713584 [0,1,0,0,0,0|3,0,0]=4 6413 B11R0.140 C=CCCCN(C)CCCCO 269982a_100000717598_100000757094 [0,1,0,0,0,0|3,0,0]=4 6414 B11R0.140 C=CCCCN(C)CCCOC 2230a_100000224831_100011713584 [0,1,0,0,0,0|3,0,0]=4 6415 B11R0.140 C=CCCCN(C)CCCOC 269982a_100000224831_100000757094 [0,1,0,0,0,0|3,0,0]=4 6416 B11R0.140 C=CCCNC(=O)CCCCC 11a_100015191253_100000212188 [0,1,0,0,0,0|2,0,1]=4 6417 B11R0.140 C=CCCNC(=O)CCCCC 1626a_100015191253_100000212188 [0,1,0,0,0,0|2,0,1]=4 6418 B11R0.140 C=CCCNC(=O)CCCCC 240690a_100015191253_100000212188 [0,1,0,0,0,0|2,0,1]=4 6419 B11R0.140 C=CCCNC(=O)CCCCC 527a_100015191253_100000212188 [0,1,0,0,0,0|2,0,1]=4 6420 B11R0.140 C=CCCNC(C)CCCCC 2230a_100000211957_100000754431 [0,1,0,0,0,0|2,0,0]=3 6421 B11R0.140 C=CCCNC(C)CCCCC 2230a_100015191253_200011218191 [0,1,0,0,0,0|2,0,0]=3 6422 B11R0.140 C=CCCNC(C)CCCCC 270004a_100015191253_100000211708 [0,1,0,0,0,0|2,0,0]=3 6423 B11R0.140 C=CCCNC(C)CCCSC 270004a_100015191253_100011399439 [0,1,0,0,0,0|3,0,0]=4 6424 B11R0.140 C=CCCNC(C)CCOCC 270004a_100015191253_200011216536 [0,1,0,0,0,0|3,0,0]=4 6425 B11R0.140 C=CCCNC(C)CSCCC 270004a_100015191253_100011343953 [0,1,0,0,0,0|3,0,0]=4 6426 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [0,1,0,0,0,0|2,0,0]=3 6427 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [0,1,0,0,0,0|2,0,0]=3 6428 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [0,1,0,0,0,0|2,0,0]=3 6429 B11R0.140 C=CCCOC(C)CCCOC 34a_200011539412_100000754431 [0,1,0,0,0,0|3,0,0]=4 6430 B11R0.140 C=CCCOC(C)CCCOC 7a_200011539412_100000754431 [0,1,0,0,0,0|3,0,0]=4 6431 B11R0.140 C=CCCSC(C)CCCCC 62a_100000754431_200011218191 [0,1,0,0,0,0|2,0,0]=3 6432 B11R0.140 C=CCCSC(C)CCCCC 62a_200011218191_100000754431 [0,1,0,0,0,0|2,0,0]=3 6433 B11R0.140 C=CCNCC(=O)CCCCC 2230a_100020586998_200012276598 [0,1,0,0,0,0|2,0,1]=4 6434 B11R0.140 C=CCOCC(=O)CCCCC 34a_200000210373_200012276598 [0,1,0,0,0,0|2,0,1]=4 6435 B11R0.140 C=CCOC[C@@H](N)CCCCN 34a_100016993712_100015514636 [0,1,0,0,0,0|3,0,0]=4 6436 B11R0.140 C=CCSCC(=O)CCCCC 1458a_100000230395_100000210326 [0,1,0,0,0,0|2,0,1]=4 6437 B11R0.140 C=CCSCC(=O)CCCCC 62a_100000210623_200012276598 [0,1,0,0,0,0|2,0,1]=4 6438 B11R0.140 C=CCSCC(=O)CCCCC 62a_200012276598_100000210623 [0,1,0,0,0,0|2,0,1]=4 6439 B11R0.140 C=COCCC(=O)CCCCC 1458a_100000212188_100000039644 [0,1,0,0,0,0|2,0,1]=4 6440 B11R0.140 C=COCCN(C)CCCCC 2230a_100000223495_100000039644 [0,1,0,0,0,0|3,0,0]=4 6441 B11R0.140 C=COCCN(C)CCCCC 269982a_100000223495_100000039644 [0,1,0,0,0,0|3,0,0]=4 6442 B11R0.140 CC=CCNC(C)CCCCC 2230a_100000211957_100000070051 [0,1,0,0,0,0|2,0,1]=4 6443 B11R0.140 CC=CCOC(C)CCCCC 34a_100011215632_100000070051 [0,1,0,0,0,0|2,0,1]=4 6444 B11R0.140 CC=CCOC(C)CCCCC 7a_100011215632_100000070051 [0,1,0,0,0,0|2,0,1]=4 6445 B11R0.140 CC=CCSC(C)CCCCC 62a_100000070051_200011218191 [0,1,0,0,0,0|2,0,1]=4 6446 B11R0.140 CC=CCSC(C)CCCCC 62a_200011218191_100000070051 [0,1,0,0,0,0|2,0,1]=4 6447 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000075515_100000210326 [0,1,0,0,0,0|1,0,2]=4 6448 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000212188_100000211468 [0,1,0,0,0,0|1,0,2]=4 6449 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [0,1,0,0,0,0|1,0,2]=4 6450 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [0,1,0,0,0,0|1,0,2]=4 6451 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [0,1,0,0,0,0|0,0,3]=4 6452 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [0,1,0,0,0,0|0,0,3]=4 6453 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [0,1,0,0,0,0|2,0,1]=4 6454 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [0,1,0,0,0,0|2,0,1]=4 6455 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [0,1,0,0,0,0|2,0,1]=4 6456 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [0,1,0,0,0,0|1,0,1]=3 6457 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [0,1,0,0,0,0|1,0,1]=3 6458 B11R0.140 CCCCCC(C)NCCC#N 2230a_100000211957_100011215226 [0,1,0,0,0,0|2,0,1]=4 6459 B11R0.140 CCCCCC(C)NCCC#N 270004a_100000720768_100000211708 [0,1,0,0,0,0|2,0,1]=4 6460 B11R0.140 CCCCCC(C)NCCCC 2230a_100000102301_200011218191 [0,1,0,0,0,0|2,0,1]=4 6461 B11R0.140 CCCCCC(C)NCCCC 2230a_100000211957_100000210211 [0,1,0,0,0,0|2,0,1]=4 6462 B11R0.140 CCCCCC(C)NCCCC 270004a_100000102301_100000211708 [0,1,0,0,0,0|2,0,1]=4 6463 B11R0.140 CCCCCC(C)NCCCC 7a_106832991798_200011218191 [0,1,0,0,0,0|2,0,1]=4 6464 B11R0.140 CCCCCC(C)NCCCF 2230a_100000211957_100011934791 [0,1,0,0,0,0|2,0,1]=4 6465 B11R0.140 CCCCCC(C)NCCCF 2230a_100015189416_200011218191 [0,1,0,0,0,0|2,0,1]=4 6466 B11R0.140 CCCCCC(C)NCCCF 270004a_100015189416_100000211708 [0,1,0,0,0,0|2,0,1]=4 6467 B11R0.140 CCCCCC(C)NCCCF 34a_100015189416_200011218191 [0,1,0,0,0,0|2,0,1]=4 6468 B11R0.140 CCCCCC(C)NCCCO 2230a_100000211957_100000230001 [0,1,0,0,0,0|1,0,2]=4 6469 B11R0.140 CCCCCC(C)NCCCO 270004a_100000182051_100000211708 [0,1,0,0,0,0|1,0,2]=4 6470 B11R0.140 CCCCCC(C)NCCOC 2230a_100000209980_200011218191 [0,1,0,0,0,0|3,0,0]=4 6471 B11R0.140 CCCCCC(C)NCCOC 2230a_100000211957_100011201679 [0,1,0,0,0,0|3,0,0]=4 6472 B11R0.140 CCCCCC(C)NCCOC 270004a_100000209980_100000211708 [0,1,0,0,0,0|3,0,0]=4 6473 B11R0.140 CCCCCC(C)NCCSC 2230a_100000211957_100000751147 [0,1,0,0,0,0|3,0,0]=4 6474 B11R0.140 CCCCCC(C)NCCSC 2230a_100020590264_200011218191 [0,1,0,0,0,0|3,0,0]=4 6475 B11R0.140 CCCCCC(C)NCCSC 270004a_100020590264_100000211708 [0,1,0,0,0,0|3,0,0]=4 6476 B11R0.140 CCCCCC(C)OCCC#N 7a_100011215632_100000184422 [0,1,0,0,0,0|2,0,1]=4 6477 B11R0.140 CCCCCC(C)OCCCBr 34a_100011217188_200011218191 [0,1,0,0,0,0|2,0,1]=4 6478 B11R0.140 CCCCCC(C)OCCCC 34a_100000210227_200011218191 [0,1,0,0,0,0|2,0,1]=4 6479 B11R0.140 CCCCCC(C)OCCCC 34a_100011215632_100000210210 [0,1,0,0,0,0|2,0,1]=4 6480 B11R0.140 CCCCCC(C)OCCCC 7a_100000210227_200011218191 [0,1,0,0,0,0|2,0,1]=4 6481 B11R0.140 CCCCCC(C)OCCCC 7a_100011215632_100000210211 [0,1,0,0,0,0|2,0,1]=4 6482 B11R0.140 CCCCCC(C)OCCCCl 34a_100000230001_200011218191 [0,1,0,0,0,0|2,0,1]=4 6483 B11R0.140 CCCCCC(C)OCCCF 34a_100000759539_200011218191 [0,1,0,0,0,0|2,0,1]=4 6484 B11R0.140 CCCCCC(C)OCCCF 34a_100011215632_100011934791 [0,1,0,0,0,0|2,0,1]=4 6485 B11R0.140 CCCCCC(C)OCCCF 7a_100011215632_100011934791 [0,1,0,0,0,0|2,0,1]=4 6486 B11R0.140 CCCCCC(C)OCCCN 34a_100000182051_200011218191 [0,1,0,0,0,0|2,0,1]=4 6487 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [0,1,0,0,0,0|1,0,2]=4 6488 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [0,1,0,0,0,0|1,0,2]=4 6489 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [0,1,0,0,0,0|3,0,0]=4 6490 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [0,1,0,0,0,0|3,0,0]=4 6491 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [0,1,0,0,0,0|3,0,0]=4 6492 B11R0.140 CCCCCC(C)OCCON 34a_100000700252_200011218191 [0,1,0,0,0,0|3,0,0]=4 6493 B11R0.140 CCCCCC(C)OCCSC 34a_100000230434_200011218191 [0,1,0,0,0,0|3,0,0]=4 6494 B11R0.140 CCCCCC(C)OCCSC 34a_100011215632_100000212216 [0,1,0,0,0,0|3,0,0]=4 6495 B11R0.140 CCCCCC(C)OCCSC 7a_100000230434_200011218191 [0,1,0,0,0,0|3,0,0]=4 6496 B11R0.140 CCCCCC(C)OCCSC 7a_100011215632_100000212216 [0,1,0,0,0,0|3,0,0]=4 6497 B11R0.140 CCCCCC(C)SCCC#N 62a_100011215226_200011218191 [0,1,0,0,0,0|2,0,1]=4 6498 B11R0.140 CCCCCC(C)SCCC#N 62a_200011218191_100011215226 [0,1,0,0,0,0|2,0,1]=4 6499 B11R0.140 CCCCCC(C)SCCCC 62a_100000210211_200011218191 [0,1,0,0,0,0|2,0,1]=4 6500 B11R0.140 CCCCCC(C)SCCCC 62a_200011218191_100000210210 [0,1,0,0,0,0|2,0,1]=4 6501 B11R0.140 CCCCCC(C)SCCCF 62a_100011934791_200011218191 [0,1,0,0,0,0|2,0,1]=4 6502 B11R0.140 CCCCCC(C)SCCCF 62a_200011218191_100011934791 [0,1,0,0,0,0|2,0,1]=4 6503 B11R0.140 CCCCCC(C)SCCCO 62a_100011215043_200011218191 [0,1,0,0,0,0|1,0,2]=4 6504 B11R0.140 CCCCCC(C)SCCCO 62a_200011218191_100011215043 [0,1,0,0,0,0|1,0,2]=4 6505 B11R0.140 CCCCCC(C)SCCOC 62a_100000233755_200011218191 [0,1,0,0,0,0|3,0,0]=4 6506 B11R0.140 CCCCCC(C)SCCOC 62a_200011218191_100000233755 [0,1,0,0,0,0|3,0,0]=4 6507 B11R0.140 CCCCCC(C)SCCSC 62a_100000212216_200011218191 [0,1,0,0,0,0|3,0,0]=4 6508 B11R0.140 CCCCCC(C)SCCSC 62a_200011218191_100000751147 [0,1,0,0,0,0|3,0,0]=4 6509 B11R0.140 CCCCCN(C)CCCC#N 2230a_100000223495_100000687738 [0,1,0,0,0,0|2,0,1]=4 6510 B11R0.140 CCCCCN(C)CCCC#N 269982a_100000223495_100000687738 [0,1,0,0,0,0|2,0,1]=4 6511 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [0,1,0,0,0,0|1,0,0]=2 6512 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [0,1,0,0,0,0|1,0,0]=2 6513 B11R0.140 CCCCCN(C)CCCCC 2230a_100000210580_200000210301 [0,1,0,0,0,0|2,0,1]=4 6514 B11R0.140 CCCCCN(C)CCCCC 2230a_100000223495_100000210326 [0,1,0,0,0,0|2,0,1]=4 6515 B11R0.140 CCCCCN(C)CCCCC 269982a_100000210580_200000210301 [0,1,0,0,0,0|2,0,1]=4 6516 B11R0.140 CCCCCN(C)CCCCC 269982a_100000223495_100000210215 [0,1,0,0,0,0|2,0,1]=4 6517 B11R0.140 CCCCCN(C)CCCCF 2230a_100000223495_100000729493 [0,1,0,0,0,0|2,0,1]=4 6518 B11R0.140 CCCCCN(C)CCCCF 269982a_100000223495_100000729493 [0,1,0,0,0,0|2,0,1]=4 6519 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [0,1,0,0,0,0|1,0,2]=4 6520 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [0,1,0,0,0,0|1,0,2]=4 6521 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [0,1,0,0,0,0|1,0,2]=4 6522 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [0,1,0,0,0,0|1,0,2]=4 6523 B11R0.140 CCCCCN(C)CCCOC 2230a_100000223495_100000740836 [0,1,0,0,0,0|3,0,0]=4 6524 B11R0.140 CCCCCN(C)CCCOC 2230a_100000224831_100000210326 [0,1,0,0,0,0|3,0,0]=4 6525 B11R0.140 CCCCCN(C)CCCOC 269982a_100000223495_100000740836 [0,1,0,0,0,0|3,0,0]=4 6526 B11R0.140 CCCCCN(C)CCCOC 269982a_100000224831_100000210215 [0,1,0,0,0,0|3,0,0]=4 6527 B11R0.140 CCCCCN([13CH3])CCCCC 2230a_100000210580_200025704644 [0,1,0,0,0,0|2,0,1]=4 6528 B11R0.140 CCCCCN([13CH3])CCCCC 269982a_100000210580_200025704644 [0,1,0,0,0,0|2,0,1]=4 6529 B11R0.140 CCCCNC(=O)CSCC=O 62a_100000182744_200015260668 [0,1,0,0,0,0|2,0,1]=4 6530 B11R0.140 CCCCNC(=O)CSCC=O 62a_200015260668_100000182744 [0,1,0,0,0,0|2,0,1]=4 6531 B11R0.140 CCCCNC(C)CCCC#N 270004a_100000102301_200000032708 [0,1,0,0,0,0|2,0,1]=4 6532 B11R0.140 CCCCNC(C)CCCSC 270004a_100000102301_100011399439 [0,1,0,0,0,0|3,0,0]=4 6533 B11R0.140 CCCCOC(=O)CSCC=O 62a_100000211628_200015260668 [0,1,0,0,0,0|2,0,1]=4 6534 B11R0.140 CCCCOC(=O)CSCC=O 62a_200015260668_100000211628 [0,1,0,0,0,0|2,0,1]=4 6535 B11R0.140 CCCCOC(C)CCCOC 34a_200011539412_100000210210 [0,1,0,0,0,0|3,0,0]=4 6536 B11R0.140 CCCCOC(C)CCCOC 7a_200011539412_100000210211 [0,1,0,0,0,0|3,0,0]=4 6537 B11R0.140 CCCOC[C@@H](N)CCCCN 34a_100016993712_100000210303 [0,1,0,0,0,0|2,0,1]=4 6538 B11R0.140 CN(CCCC=O)CCCCO 2230a_100000717598_200011292268 [0,1,0,0,0,0|2,0,0]=3 6539 B11R0.140 CN(CCCC=O)CCCCO 269982a_100000717598_200011292268 [0,1,0,0,0,0|2,0,0]=3 6540 B11R0.140 COCCCN(C)CCCC=O 2230a_100000224831_200011292268 [0,1,0,0,0,0|2,0,0]=3 6541 B11R0.140 COCCCN(C)CCCC=O 269982a_100000224831_200011292268 [0,1,0,0,0,0|2,0,0]=3 6542 B11R0.140 NCCCC[C@H](N)COCC=O 34a_100016993712_200009817547 [0,1,0,0,0,0|2,0,0]=3 6543 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,1,0,0,0,0|0,0,2]=3 6544 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,1,0,0,0,0|0,0,2]=3 6545 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,1,0,0,0,0|0,0,2]=3 6546 B11R0.148 C#CCCCCCCCN(C)C 2230a_100102631434_100153394163 [0,1,0,0,0,0|2,0,1]=4 6547 B11R0.148 C#CCCCCCCCN(C)C 269982a_100102631434_100153394163 [0,1,0,0,0,0|2,0,1]=4 6548 B11R0.148 C#CCCCCCCNC(C)C 2230a_100138425928_100012276617 [0,1,0,0,0,0|2,0,1]=4 6549 B11R0.148 C#CCCCCCCNC(C)C 34a_100138425928_100012276617 [0,1,0,0,0,0|2,0,1]=4 6550 B11R0.148 C#CCCCCCCOC(C)C 34a_100000212225_100012276617 [0,1,0,0,0,0|2,0,1]=4 6551 B11R0.148 C#CCCCCCCOC(C)C 34a_100011217361_100000210206 [0,1,0,0,0,0|2,0,1]=4 6552 B11R0.148 C#CCCCCCCOC(C)C 7a_100011217361_100000210206 [0,1,0,0,0,0|2,0,1]=4 6553 B11R0.148 C#CCCCCCCSC(C)C 62a_100000210206_100012276617 [0,1,0,0,0,0|2,0,1]=4 6554 B11R0.148 C#CCCCCCCSC(C)C 62a_100012276617_100000210206 [0,1,0,0,0,0|2,0,1]=4 6555 B11R0.148 C#CCCCCCNCC(=O)N 2230a_100000711301_100012094781 [0,1,0,0,0,0|1,0,2]=4 6556 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [0,1,0,0,0,0|1,0,2]=4 6557 B11R0.148 C#CCCCCCNCC(C)C 2230a_100000210953_100012094781 [0,1,0,0,0,0|2,0,1]=4 6558 B11R0.148 C#CCCCCCNCC(C)C 34a_100000210953_100012094781 [0,1,0,0,0,0|2,0,1]=4 6559 B11R0.148 C#CCCCCCNCC(C)O 2230a_100000210904_100012094781 [0,1,0,0,0,0|2,0,1]=4 6560 B11R0.148 C#CCCCCCNCC(C)O 34a_100000210904_100012094781 [0,1,0,0,0,0|2,0,1]=4 6561 B11R0.148 C#CCCCCCOCC(=O)C 34a_100000211253_100012094781 [0,1,0,0,0,0|1,0,2]=4 6562 B11R0.148 C#CCCCCCOCC(=O)N 34a_100000766912_100000187820 [0,1,0,0,0,0|1,0,2]=4 6563 B11R0.148 C#CCCCCCOCC(=O)N 7a_100000766912_100000187820 [0,1,0,0,0,0|1,0,2]=4 6564 B11R0.148 C#CCCCCCOCC(=O)[O-] 34a_100000766912_100020667443 [0,1,0,0,0,0|1,0,2]=4 6565 B11R0.148 C#CCCCCCOCC(C)Br 34a_100012180447_100012094781 [0,1,0,0,0,0|2,0,1]=4 6566 B11R0.148 C#CCCCCCOCC(C)C 34a_100000210257_100012094781 [0,1,0,0,0,0|2,0,1]=4 6567 B11R0.148 C#CCCCCCOCC(C)C 34a_100000766912_100000210624 [0,1,0,0,0,0|2,0,1]=4 6568 B11R0.148 C#CCCCCCOCC(C)C 7a_100000766912_100000210760 [0,1,0,0,0,0|2,0,1]=4 6569 B11R0.148 C#CCCCCCOCC(C)F 34a_100015925927_100012094781 [0,1,0,0,0,0|2,0,1]=4 6570 B11R0.148 C#CCCCCCOCC(C)O 34a_100000766912_100011218427 [0,1,0,0,0,0|2,0,1]=4 6571 B11R0.148 C#CCCCCCOCC(C)O 7a_100000766912_100011218427 [0,1,0,0,0,0|2,0,1]=4 6572 B11R0.148 C#CCCCCCOC[C@@H](C)Cl 34a_100016084084_100012094781 [0,1,0,0,0,0|2,0,1]=4 6573 B11R0.148 C#CCCCCCOC[C@@H](C)N 34a_100000737577_100012094781 [0,1,0,0,0,0|2,0,1]=4 6574 B11R0.148 C#CCCCCCOC[C@@H](C)O 34a_100000766912_100009817552 [0,1,0,0,0,0|2,0,1]=4 6575 B11R0.148 C#CCCCCCOC[C@@H](C)O 7a_100000766912_100009817552 [0,1,0,0,0,0|2,0,1]=4 6576 B11R0.148 C#CCCCCCSCC(=O)N 62a_100000747473_100012094781 [0,1,0,0,0,0|1,0,2]=4 6577 B11R0.148 C#CCCCCCSCC(=O)N 62a_100012094781_100000747473 [0,1,0,0,0,0|1,0,2]=4 6578 B11R0.148 C#CCCCCCSCC(=O)[O-] 62a_100012094781_100020667443 [0,1,0,0,0,0|1,0,2]=4 6579 B11R0.148 C#CCCCCCSCC(=O)[O-] 62a_100020667443_100012094781 [0,1,0,0,0,0|1,0,2]=4 6580 B11R0.148 C#CCCCCCSCC(C)C 62a_100000210624_100012094781 [0,1,0,0,0,0|2,0,1]=4 6581 B11R0.148 C#CCCCCCSCC(C)C 62a_100012094781_100000210760 [0,1,0,0,0,0|2,0,1]=4 6582 B11R0.148 C#CCCCCCSCC(C)O 62a_100011218427_100012094781 [0,1,0,0,0,0|2,0,1]=4 6583 B11R0.148 C#CCCCCCSCC(C)O 62a_100012094781_100011218427 [0,1,0,0,0,0|2,0,1]=4 6584 B11R0.148 C#CCCCCCSC[C@@H](C)O 62a_100009817552_100012094781 [0,1,0,0,0,0|2,0,1]=4 6585 B11R0.148 C#CCCCCCSC[C@@H](C)O 62a_100012094781_100009817552 [0,1,0,0,0,0|2,0,1]=4 6586 B11R0.148 C#CCCCCNCCC(=O)N 2230a_100000706060_100000744528 [0,1,0,0,0,0|1,0,2]=4 6587 B11R0.148 C#CCCCCNCCC(=O)N 34a_100000706060_100000731001 [0,1,0,0,0,0|1,0,2]=4 6588 B11R0.148 C#CCCCCNCCC(C)C 2230a_100000706060_100000210312 [0,1,0,0,0,0|2,0,1]=4 6589 B11R0.148 C#CCCCCNCCC(C)C 34a_100000706060_100000210312 [0,1,0,0,0,0|2,0,1]=4 6590 B11R0.148 C#CCCCCNCCC(C)O 2230a_100000706060_100012276601 [0,1,0,0,0,0|2,0,1]=4 6591 B11R0.148 C#CCCCCNCCC(C)O 2230a_200000755665_100010269958 [0,1,0,0,0,0|2,0,1]=4 6592 B11R0.148 C#CCCCCNCCC(C)O 34a_100000706060_100012276601 [0,1,0,0,0,0|2,0,1]=4 6593 B11R0.148 C#CCCCCOCCC(=O)C 34a_100000759926_100010269958 [0,1,0,0,0,0|1,0,2]=4 6594 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000759926_100010269958 [0,1,0,0,0,0|1,0,2]=4 6595 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000766709_100000053229 [0,1,0,0,0,0|1,0,2]=4 6596 B11R0.148 C#CCCCCOCCC(=O)N 34a_100000757172_100010269958 [0,1,0,0,0,0|1,0,2]=4 6597 B11R0.148 C#CCCCCOCCC(=O)N 34a_100000766709_100000731001 [0,1,0,0,0,0|1,0,2]=4 6598 B11R0.148 C#CCCCCOCCC(=O)N 7a_100000757172_100010269958 [0,1,0,0,0,0|1,0,2]=4 6599 B11R0.148 C#CCCCCOCCC(=O)N 7a_100000766709_100000744528 [0,1,0,0,0,0|1,0,2]=4 6600 B11R0.148 C#CCCCCOCCC(C)Br 34a_100009893172_100010269958 [0,1,0,0,0,0|2,0,1]=4 6601 B11R0.148 C#CCCCCOCCC(C)C 34a_100000210254_100010269958 [0,1,0,0,0,0|2,0,1]=4 6602 B11R0.148 C#CCCCCOCCC(C)C 34a_100000766709_100000210312 [0,1,0,0,0,0|2,0,1]=4 6603 B11R0.148 C#CCCCCOCCC(C)C 7a_100000210254_100010269958 [0,1,0,0,0,0|2,0,1]=4 6604 B11R0.148 C#CCCCCOCCC(C)C 7a_100000766709_100000210626 [0,1,0,0,0,0|2,0,1]=4 6605 B11R0.148 C#CCCCCOCCC(C)O 34a_100000766709_100012276601 [0,1,0,0,0,0|2,0,1]=4 6606 B11R0.148 C#CCCCCOCCC(C)O 7a_100000766709_100012276601 [0,1,0,0,0,0|2,0,1]=4 6607 B11R0.148 C#CCCCCOCC[C@@H](C)N 34a_100000706166_100010269958 [0,1,0,0,0,0|2,0,1]=4 6608 B11R0.148 C#CCCCCSCCC(=O)C 62a_100000053229_100010269958 [0,1,0,0,0,0|1,0,2]=4 6609 B11R0.148 C#CCCCCSCCC(=O)C 62a_100010269958_100000053229 [0,1,0,0,0,0|1,0,2]=4 6610 B11R0.148 C#CCCCCSCCC(=O)N 62a_100000744528_100010269958 [0,1,0,0,0,0|1,0,2]=4 6611 B11R0.148 C#CCCCCSCCC(=O)N 62a_100010269958_100000744528 [0,1,0,0,0,0|1,0,2]=4 6612 B11R0.148 C#CCCCCSCCC(C)C 62a_100000210312_100010269958 [0,1,0,0,0,0|2,0,1]=4 6613 B11R0.148 C#CCCCCSCCC(C)C 62a_100010269958_100000210312 [0,1,0,0,0,0|2,0,1]=4 6614 B11R0.148 C#CCCCCSCCC(C)O 62a_100010269958_100012276601 [0,1,0,0,0,0|2,0,1]=4 6615 B11R0.148 C#CCCCCSCCC(C)O 62a_100012276601_100010269958 [0,1,0,0,0,0|2,0,1]=4 6616 B11R0.148 C#CCCCNCCCC(=O)C 34a_100000718082_100000685027 [0,1,0,0,0,0|1,0,2]=4 6617 B11R0.148 C#CCCCNCCCC(=O)N 34a_100000718082_100102525003 [0,1,0,0,0,0|1,0,2]=4 6618 B11R0.148 C#CCCCNCCCC(=O)N 34a_100000739312_100000695029 [0,1,0,0,0,0|1,0,2]=4 6619 B11R0.148 C#CCCCNCCCC(C)C 2230a_200000737386_100000731252 [0,1,0,0,0,0|2,0,1]=4 6620 B11R0.148 C#CCCCNCCCC(C)C 34a_100000718082_100011214892 [0,1,0,0,0,0|2,0,1]=4 6621 B11R0.148 C#CCCCNCCCC(C)C 34a_200000737386_100000695029 [0,1,0,0,0,0|2,0,1]=4 6622 B11R0.148 C#CCCCNCCCC(C)O 34a_100000718082_200000718107 [0,1,0,0,0,0|2,0,1]=4 6623 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000215630_100000685027 [0,1,0,0,0,0|1,0,2]=4 6624 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000759063_100000695029 [0,1,0,0,0,0|1,0,2]=4 6625 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000215630_100011215641 [0,1,0,0,0,0|1,0,2]=4 6626 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000759063_100011215417 [0,1,0,0,0,0|1,0,2]=4 6627 B11R0.148 C#CCCCOCCCC(=O)N 34a_100000215630_100102525003 [0,1,0,0,0,0|1,0,2]=4 6628 B11R0.148 C#CCCCOCCCC(=O)N 7a_100000215630_100102525003 [0,1,0,0,0,0|1,0,2]=4 6629 B11R0.148 C#CCCCOCCCC(C)C 34a_100000210774_100000695029 [0,1,0,0,0,0|2,0,1]=4 6630 B11R0.148 C#CCCCOCCCC(C)C 34a_100000215630_100011214892 [0,1,0,0,0,0|2,0,1]=4 6631 B11R0.148 C#CCCCOCCCC(C)C 7a_100000210774_100011215417 [0,1,0,0,0,0|2,0,1]=4 6632 B11R0.148 C#CCCCOCCCC(C)C 7a_100000215630_100011214892 [0,1,0,0,0,0|2,0,1]=4 6633 B11R0.148 C#CCCCOCCCC(C)O 34a_100000215630_200000718107 [0,1,0,0,0,0|2,0,1]=4 6634 B11R0.148 C#CCCCOCCCC(C)O 7a_100000215630_200000718107 [0,1,0,0,0,0|2,0,1]=4 6635 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215417_100011215641 [0,1,0,0,0,0|1,0,2]=4 6636 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215641_100011215417 [0,1,0,0,0,0|1,0,2]=4 6637 B11R0.148 C#CCCCSCCCC(=O)N 62a_100011215417_100102525003 [0,1,0,0,0,0|1,0,2]=4 6638 B11R0.148 C#CCCCSCCCC(=O)N 62a_100102525003_100011215417 [0,1,0,0,0,0|1,0,2]=4 6639 B11R0.148 C#CCCCSCCCC(C)C 62a_100011214892_100011215417 [0,1,0,0,0,0|2,0,1]=4 6640 B11R0.148 C#CCCCSCCCC(C)C 62a_100011215417_100011214892 [0,1,0,0,0,0|2,0,1]=4 6641 B11R0.148 C#CCCCSCCCC(C)O 62a_100011215417_200000718107 [0,1,0,0,0,0|2,0,1]=4 6642 B11R0.148 C#CCCCSCCCC(C)O 62a_200000718107_100011215417 [0,1,0,0,0,0|2,0,1]=4 6643 B11R0.148 C#CCCNCCCCC(=O)C 34a_100000755551_100009817362 [0,1,0,0,0,0|1,0,2]=4 6644 B11R0.148 C#CCCNCCCCC(=O)N 34a_100000696515_100000688953 [0,1,0,0,0,0|1,0,2]=4 6645 B11R0.148 C#CCCNCCCCC(C)C 34a_100000755551_100011216152 [0,1,0,0,0,0|2,0,1]=4 6646 B11R0.148 C#CCCOCCCCC(=O)C 34a_100011215631_100009817362 [0,1,0,0,0,0|1,0,2]=4 6647 B11R0.148 C#CCCOCCCCC(=O)N 34a_100012022536_100000688953 [0,1,0,0,0,0|1,0,2]=4 6648 B11R0.148 C#CCCOCCCCC(=O)N 7a_100012022536_100000688953 [0,1,0,0,0,0|1,0,2]=4 6649 B11R0.148 C#CCCOCCCCC(C)C 34a_100011214890_100000688953 [0,1,0,0,0,0|2,0,1]=4 6650 B11R0.148 C#CCCOCCCCC(C)C 34a_100011215631_100011216152 [0,1,0,0,0,0|2,0,1]=4 6651 B11R0.148 C#CCCOCCCCC(C)C 7a_100011214890_100000688953 [0,1,0,0,0,0|2,0,1]=4 6652 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000688953_100000735457 [0,1,0,0,0,0|1,0,2]=4 6653 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000735457_100000688953 [0,1,0,0,0,0|1,0,2]=4 6654 B11R0.148 C#CCCSCCCCC(C)C 62a_100000688953_100011216152 [0,1,0,0,0,0|2,0,1]=4 6655 B11R0.148 C#CCCSCCCCC(C)C 62a_100011216152_100000688953 [0,1,0,0,0,0|2,0,1]=4 6656 B11R0.148 C#CCNCCCCCC(=O)N 34a_100000212058_100009817443 [0,1,0,0,0,0|1,0,2]=4 6657 B11R0.148 C#CCNCCCCCC(C)C 2230a_100011290863_100000038162 [0,1,0,0,0,0|2,0,1]=4 6658 B11R0.148 C#CCNCCCCCC(C)C 34a_100000212058_100000210682 [0,1,0,0,0,0|2,0,1]=4 6659 B11R0.148 C#CCNCCCCCC(C)C 34a_100011290863_100000184674 [0,1,0,0,0,0|2,0,1]=4 6660 B11R0.148 C#CCOCCCCCC(=O)N 34a_100000123541_100000184674 [0,1,0,0,0,0|1,0,2]=4 6661 B11R0.148 C#CCOCCCCCC(=O)N 34a_100000210247_100009817443 [0,1,0,0,0,0|1,0,2]=4 6662 B11R0.148 C#CCOCCCCCC(=O)N 7a_100000123541_100000038162 [0,1,0,0,0,0|1,0,2]=4 6663 B11R0.148 C#CCOCCCCCC(=O)[O-] 7a_100102619762_100000038162 [0,1,0,0,0,0|1,0,2]=4 6664 B11R0.148 C#CCOCCCCCC(C)C 34a_100000210247_100000210682 [0,1,0,0,0,0|2,0,1]=4 6665 B11R0.148 C#CCOCCCCCC(C)C 34a_100011995859_100000184674 [0,1,0,0,0,0|2,0,1]=4 6666 B11R0.148 C#CCOCCCCCC(C)C 7a_100011995859_100000038162 [0,1,0,0,0,0|2,0,1]=4 6667 B11R0.148 C#CCSCCCCCC(=O)N 62a_100000038162_100009817443 [0,1,0,0,0,0|1,0,2]=4 6668 B11R0.148 C#CCSCCCCCC(C)C 62a_100000038162_100000210682 [0,1,0,0,0,0|2,0,1]=4 6669 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [0,1,0,0,0,0|1,0,2]=4 6670 B11R0.148 C/C=C/CCOCCCC(=O)N 34a_100016278192_100102525003 [0,1,0,0,0,0|1,0,2]=4 6671 B11R0.148 C/C=C/CCOCCCC(C)C 34a_100016278192_100011214892 [0,1,0,0,0,0|2,0,1]=4 6672 B11R0.148 C/C=C/CCOCCCC(C)O 34a_100016278192_200000718107 [0,1,0,0,0,0|2,0,1]=4 6673 B11R0.148 C/C=C/CNCCCCC(=O)N 34a_100000696515_100102629194 [0,1,0,0,0,0|1,0,2]=4 6674 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [0,1,0,0,0,0|1,0,2]=4 6675 B11R0.148 C/C=C/COCCCCC(=O)N 34a_100012022536_100102629194 [0,1,0,0,0,0|1,0,2]=4 6676 B11R0.148 C/C=C/COCCCCC(=O)N 7a_100012022536_100102629194 [0,1,0,0,0,0|1,0,2]=4 6677 B11R0.148 C/C=C/COCCCCC(C)C 34a_100011214890_100102629194 [0,1,0,0,0,0|2,0,1]=4 6678 B11R0.148 C/C=C/COCCCCC(C)C 34a_100016270725_100011216152 [0,1,0,0,0,0|2,0,1]=4 6679 B11R0.148 C/C=C/COCCCCC(C)C 7a_100011214890_100102629194 [0,1,0,0,0,0|2,0,1]=4 6680 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [0,1,0,0,0,0|1,0,2]=4 6681 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [0,1,0,0,0,0|1,0,2]=4 6682 B11R0.148 C/C=C/CSCCCCC(C)C 62a_100011216152_100102629194 [0,1,0,0,0,0|2,0,1]=4 6683 B11R0.148 C/C=C/CSCCCCC(C)C 62a_100102629194_100011216152 [0,1,0,0,0,0|2,0,1]=4 6684 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,1,0,0,0,0|2,0,0]=3 6685 B11R0.148 C=C(Br)CCOCCCCCF 34a_100009813270_100000729378 [0,1,0,0,0,0|3,0,0]=4 6686 B11R0.148 C=C(Br)CCOCCCCCO 34a_100009813270_100000746330 [0,1,0,0,0,0|3,0,0]=4 6687 B11R0.148 C=C(Br)CCOCCCCOC 34a_100009813270_100000755781 [0,1,0,0,0,0|3,0,0]=4 6688 B11R0.148 C=C(Br)CCOCCCOCC 34a_100009813270_100012232248 [0,1,0,0,0,0|3,0,0]=4 6689 B11R0.148 C=C(Br)CCOCCOCCC 34a_100009813270_100011215938 [0,1,0,0,0,0|3,0,0]=4 6690 B11R0.148 C=C(Br)CCOCOCCCC 34a_100009813270_100011995733 [0,1,0,0,0,0|3,0,0]=4 6691 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,1,0,0,0,0|2,0,0]=3 6692 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [0,1,0,0,0,0|3,0,0]=4 6693 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [0,1,0,0,0,0|3,0,0]=4 6694 B11R0.148 C=C(C)CCNCCCOCC 2230a_100000210961_100000730704 [0,1,0,0,0,0|3,0,0]=4 6695 B11R0.148 C=C(C)CCNCCCOCC 34a_100000210961_100000730704 [0,1,0,0,0,0|3,0,0]=4 6696 B11R0.148 C=C(C)CCNCCOCCC 2230a_100161115042_100000730704 [0,1,0,0,0,0|3,0,0]=4 6697 B11R0.148 C=C(C)CCNCCOCCC 34a_100161115042_100000730704 [0,1,0,0,0,0|3,0,0]=4 6698 B11R0.148 C=C(C)CCNCCSCCC 2230a_100020603323_100000730704 [0,1,0,0,0,0|3,0,0]=4 6699 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [0,1,0,0,0,0|3,0,0]=4 6700 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [0,1,0,0,0,0|3,0,0]=4 6701 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,1,0,0,0,0|2,0,0]=3 6702 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,1,0,0,0,0|2,0,0]=3 6703 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,1,0,0,0,0|2,0,0]=3 6704 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [0,1,0,0,0,0|3,0,0]=4 6705 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [0,1,0,0,0,0|3,0,0]=4 6706 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [0,1,0,0,0,0|3,0,0]=4 6707 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [0,1,0,0,0,0|3,0,0]=4 6708 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [0,1,0,0,0,0|3,0,0]=4 6709 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [0,1,0,0,0,0|3,0,0]=4 6710 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,1,0,0,0,0|3,0,0]=4 6711 B11R0.148 C=C(C)CCOCCCCOC 34a_100000740925_100000730704 [0,1,0,0,0,0|3,0,0]=4 6712 B11R0.148 C=C(C)CCOCCCCOC 34a_100000764851_100000755781 [0,1,0,0,0,0|3,0,0]=4 6713 B11R0.148 C=C(C)CCOCCCCSC 34a_100011217163_100000730704 [0,1,0,0,0,0|3,0,0]=4 6714 B11R0.148 C=C(C)CCOCCCCSC 7a_100011217163_100000730704 [0,1,0,0,0,0|3,0,0]=4 6715 B11R0.148 C=C(C)CCOCCCOCC 34a_100000757476_100000730704 [0,1,0,0,0,0|3,0,0]=4 6716 B11R0.148 C=C(C)CCOCCCOCC 34a_100000764851_100012232248 [0,1,0,0,0,0|3,0,0]=4 6717 B11R0.148 C=C(C)CCOCCCOCC 7a_100000757476_100000730704 [0,1,0,0,0,0|3,0,0]=4 6718 B11R0.148 C=C(C)CCOCCCSCC 34a_100011216438_100000730704 [0,1,0,0,0,0|3,0,0]=4 6719 B11R0.148 C=C(C)CCOCCCSCC 7a_100011216438_100000730704 [0,1,0,0,0,0|3,0,0]=4 6720 B11R0.148 C=C(C)CCOCCOCCC 34a_100000752267_100000730704 [0,1,0,0,0,0|3,0,0]=4 6721 B11R0.148 C=C(C)CCOCCOCCC 34a_100000764851_100011215938 [0,1,0,0,0,0|3,0,0]=4 6722 B11R0.148 C=C(C)CCOCCOCCC 7a_100000752267_100000730704 [0,1,0,0,0,0|3,0,0]=4 6723 B11R0.148 C=C(C)CCOCCSCCC 34a_200000230433_100000730704 [0,1,0,0,0,0|3,0,0]=4 6724 B11R0.148 C=C(C)CCOCCSCCC 7a_200000230433_100000730704 [0,1,0,0,0,0|3,0,0]=4 6725 B11R0.148 C=C(C)CCOCOCCCC 34a_100000764851_100011995733 [0,1,0,0,0,0|3,0,0]=4 6726 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000139335_100000730704 [0,1,0,0,0,0|1,0,1]=3 6727 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000730704_100000139335 [0,1,0,0,0,0|1,0,1]=3 6728 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,1,0,0,0,0|2,0,0]=3 6729 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,1,0,0,0,0|2,0,0]=3 6730 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [0,1,0,0,0,0|3,0,0]=4 6731 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [0,1,0,0,0,0|3,0,0]=4 6732 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [0,1,0,0,0,0|3,0,0]=4 6733 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [0,1,0,0,0,0|3,0,0]=4 6734 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730704_100000730899 [0,1,0,0,0,0|3,0,0]=4 6735 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730899_100000730704 [0,1,0,0,0,0|3,0,0]=4 6736 B11R0.148 C=C(C)CCSCCCOCC 62a_100000730704_100012232248 [0,1,0,0,0,0|3,0,0]=4 6737 B11R0.148 C=C(C)CCSCCCOCC 62a_100012232248_100000730704 [0,1,0,0,0,0|3,0,0]=4 6738 B11R0.148 C=C(C)CCSCCOCCC 62a_100000730704_100011215938 [0,1,0,0,0,0|3,0,0]=4 6739 B11R0.148 C=C(C)CCSCCOCCC 62a_100011215938_100000730704 [0,1,0,0,0,0|3,0,0]=4 6740 B11R0.148 C=C(C)CCSCOCCCC 62a_100000730704_100011995733 [0,1,0,0,0,0|3,0,0]=4 6741 B11R0.148 C=C(C)CCSCOCCCC 62a_100011995733_100000730704 [0,1,0,0,0,0|3,0,0]=4 6742 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,1,0,0,0,0|2,0,0]=3 6743 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,1,0,0,0,0|3,0,0]=4 6744 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,1,0,0,0,0|3,0,0]=4 6745 B11R0.148 C=C(C)CNCCCCCOC 2230a_100000747528_100000748629 [0,1,0,0,0,0|3,0,0]=4 6746 B11R0.148 C=C(C)CNCCCCCOC 34a_100000747528_100000748629 [0,1,0,0,0,0|3,0,0]=4 6747 B11R0.148 C=C(C)CNCCCOCCC 2230a_100011217757_100000748629 [0,1,0,0,0,0|3,0,0]=4 6748 B11R0.148 C=C(C)CNCCCOCCC 34a_100011217757_100000748629 [0,1,0,0,0,0|3,0,0]=4 6749 B11R0.148 C=C(C)CNCCSCCCC 2230a_100025743550_100000748629 [0,1,0,0,0,0|3,0,0]=4 6750 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [0,1,0,0,0,0|3,0,0]=4 6751 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [0,1,0,0,0,0|3,0,0]=4 6752 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,1,0,0,0,0|2,0,0]=3 6753 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,1,0,0,0,0|2,0,0]=3 6754 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,1,0,0,0,0|2,0,0]=3 6755 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [0,1,0,0,0,0|3,0,0]=4 6756 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [0,1,0,0,0,0|3,0,0]=4 6757 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [0,1,0,0,0,0|3,0,0]=4 6758 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [0,1,0,0,0,0|3,0,0]=4 6759 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [0,1,0,0,0,0|3,0,0]=4 6760 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [0,1,0,0,0,0|3,0,0]=4 6761 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [0,1,0,0,0,0|3,0,0]=4 6762 B11R0.148 C=C(C)COCCCCCNC 34a_100000722520_100000748629 [0,1,0,0,0,0|3,0,0]=4 6763 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [0,1,0,0,0,0|3,0,0]=4 6764 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [0,1,0,0,0,0|3,0,0]=4 6765 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [0,1,0,0,0,0|3,0,0]=4 6766 B11R0.148 C=C(C)COCCSCCCC 34a_200000230436_100000748629 [0,1,0,0,0,0|3,0,0]=4 6767 B11R0.148 C=C(C)COCCSCCCC 7a_200000230436_100000748629 [0,1,0,0,0,0|3,0,0]=4 6768 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000139337_100000211660 [0,1,0,0,0,0|1,0,1]=3 6769 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000748629_100000139337 [0,1,0,0,0,0|1,0,1]=3 6770 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,1,0,0,0,0|2,0,0]=3 6771 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,1,0,0,0,0|2,0,0]=3 6772 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [0,1,0,0,0,0|3,0,0]=4 6773 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [0,1,0,0,0,0|3,0,0]=4 6774 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [0,1,0,0,0,0|3,0,0]=4 6775 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [0,1,0,0,0,0|3,0,0]=4 6776 B11R0.148 C=C(C)CSCCOCCCC 62a_100000743108_100000211660 [0,1,0,0,0,0|3,0,0]=4 6777 B11R0.148 C=C(C)CSCCOCCCC 62a_100000748629_100000743108 [0,1,0,0,0,0|3,0,0]=4 6778 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,1,0,0,0,0|2,0,0]=3 6779 B11R0.148 C=C(F)CNCCCCCCO 2230a_100000686447_100009893438 [0,1,0,0,0,0|3,0,0]=4 6780 B11R0.148 C=C(F)CNCCCCCCO 34a_100000686447_100009893438 [0,1,0,0,0,0|3,0,0]=4 6781 B11R0.148 C=C(F)CNCCCCCOC 2230a_100000747528_100009893438 [0,1,0,0,0,0|3,0,0]=4 6782 B11R0.148 C=C(F)CNCCCCCOC 34a_100000747528_100009893438 [0,1,0,0,0,0|3,0,0]=4 6783 B11R0.148 C=C(F)CNCCCOCCC 2230a_100011217757_100009893438 [0,1,0,0,0,0|3,0,0]=4 6784 B11R0.148 C=C(F)CNCCCOCCC 34a_100011217757_100009893438 [0,1,0,0,0,0|3,0,0]=4 6785 B11R0.148 C=C(F)CNCCSCCCC 2230a_100025743550_100009893438 [0,1,0,0,0,0|3,0,0]=4 6786 B11R0.148 C=C(F)COCCCCCCBr 34a_100011215345_100009893438 [0,1,0,0,0,0|3,0,0]=4 6787 B11R0.148 C=C(F)COCCCCCCBr 7a_100011215345_100000042424 [0,1,0,0,0,0|3,0,0]=4 6788 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [0,1,0,0,0,0|2,0,0]=3 6789 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [0,1,0,0,0,0|2,0,0]=3 6790 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [0,1,0,0,0,0|2,0,0]=3 6791 B11R0.148 C=C(F)COCCCCCCCl 34a_100000766143_100009893438 [0,1,0,0,0,0|3,0,0]=4 6792 B11R0.148 C=C(F)COCCCCCCCl 7a_100000766143_100000042424 [0,1,0,0,0,0|3,0,0]=4 6793 B11R0.148 C=C(F)COCCCCCCF 34a_100000732779_100009893438 [0,1,0,0,0,0|3,0,0]=4 6794 B11R0.148 C=C(F)COCCCCCCF 34a_200010262243_100015922095 [0,1,0,0,0,0|3,0,0]=4 6795 B11R0.148 C=C(F)COCCCCCCF 7a_100000732779_100000042424 [0,1,0,0,0,0|3,0,0]=4 6796 B11R0.148 C=C(F)COCCCCCCN 34a_100000686447_100009893438 [0,1,0,0,0,0|3,0,0]=4 6797 B11R0.148 C=C(F)COCCCCCCO 34a_200010262243_100000766143 [0,1,0,0,0,0|3,0,0]=4 6798 B11R0.148 C=C(F)COCCCCCNC 34a_100000722520_100009893438 [0,1,0,0,0,0|3,0,0]=4 6799 B11R0.148 C=C(F)COCCOCCCC 34a_100000210238_100009893438 [0,1,0,0,0,0|3,0,0]=4 6800 B11R0.148 C=C(F)COCCOCCCC 34a_200010262243_100000743108 [0,1,0,0,0,0|3,0,0]=4 6801 B11R0.148 C=C(F)COCCOCCCC 7a_100000210238_100000042424 [0,1,0,0,0,0|3,0,0]=4 6802 B11R0.148 C=C(F)COCCSCCCC 34a_200000230436_100009893438 [0,1,0,0,0,0|3,0,0]=4 6803 B11R0.148 C=C(F)COCCSCCCC 7a_200000230436_100000042424 [0,1,0,0,0,0|3,0,0]=4 6804 B11R0.148 C=C(F)CSCCCCCC=O 62a_100000042424_100000139337 [0,1,0,0,0,0|1,0,2]=4 6805 B11R0.148 C=C(F)CSCCCCCC=O 62a_100000139337_100000042424 [0,1,0,0,0,0|1,0,2]=4 6806 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [0,1,0,0,0,0|2,0,0]=3 6807 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [0,1,0,0,0,0|2,0,0]=3 6808 B11R0.148 C=C(F)CSCCCCCCF 62a_100000042424_100015922095 [0,1,0,0,0,0|3,0,0]=4 6809 B11R0.148 C=C(F)CSCCCCCCF 62a_100015922095_100000042424 [0,1,0,0,0,0|3,0,0]=4 6810 B11R0.148 C=C(F)CSCCCCCCO 62a_100000042424_100000766143 [0,1,0,0,0,0|3,0,0]=4 6811 B11R0.148 C=C(F)CSCCCCCCO 62a_100000766143_100000042424 [0,1,0,0,0,0|3,0,0]=4 6812 B11R0.148 C=C(F)CSCCOCCCC 62a_100000042424_100000743108 [0,1,0,0,0,0|3,0,0]=4 6813 B11R0.148 C=C(F)CSCCOCCCC 62a_100000743108_100000042424 [0,1,0,0,0,0|3,0,0]=4 6814 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,1,0,0,0,0|0,0,2]=3 6815 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,1,0,0,0,0|0,0,2]=3 6816 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,1,0,0,0,0|0,0,2]=3 6817 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [0,1,0,0,0,0|2,0,0]=3 6818 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [0,1,0,0,0,0|2,0,0]=3 6819 B11R0.148 C=CCCCCCCNC(C)C 2230a_100138425928_100011215473 [0,1,0,0,0,0|2,0,0]=3 6820 B11R0.148 C=CCCCCCCNC(C)C 34a_100138425928_100011215473 [0,1,0,0,0,0|2,0,0]=3 6821 B11R0.148 C=CCCCCCCOC(C)C 34a_100000212225_100011215473 [0,1,0,0,0,0|2,0,0]=3 6822 B11R0.148 C=CCCCCCCOC(C)C 34a_200011216477_100000210206 [0,1,0,0,0,0|2,0,0]=3 6823 B11R0.148 C=CCCCCCCOC(C)C 7a_200011216477_100000210206 [0,1,0,0,0,0|2,0,0]=3 6824 B11R0.148 C=CCCCCCCSC(C)C 62a_100000210206_100011215473 [0,1,0,0,0,0|2,0,0]=3 6825 B11R0.148 C=CCCCCCCSC(C)C 62a_100011215473_100000210206 [0,1,0,0,0,0|2,0,0]=3 6826 B11R0.148 C=CCCCCCNCC(=O)N 2230a_100000711301_100000700193 [0,1,0,0,0,0|1,0,2]=4 6827 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [0,1,0,0,0,0|1,0,2]=4 6828 B11R0.148 C=CCCCCCNCC(C)C 2230a_100000210953_100000700193 [0,1,0,0,0,0|2,0,0]=3 6829 B11R0.148 C=CCCCCCNCC(C)C 34a_100000210953_100000700193 [0,1,0,0,0,0|2,0,0]=3 6830 B11R0.148 C=CCCCCCNCC(C)O 2230a_100000210904_100000700193 [0,1,0,0,0,0|2,0,0]=3 6831 B11R0.148 C=CCCCCCNCC(C)O 34a_100000210904_100000700193 [0,1,0,0,0,0|2,0,0]=3 6832 B11R0.148 C=CCCCCCNCC(F)F 34a_100000765723_100000700193 [0,1,0,0,0,0|3,0,0]=4 6833 B11R0.148 C=CCCCCCOCC(=C)C 34a_100000210245_100000700193 [0,1,0,0,0,0|2,0,1]=4 6834 B11R0.148 C=CCCCCCOCC(=C)C 34a_100011216702_100000748629 [0,1,0,0,0,0|2,0,1]=4 6835 B11R0.148 C=CCCCCCOCC(=C)C 7a_100011216702_100000748629 [0,1,0,0,0,0|2,0,1]=4 6836 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [0,1,0,0,0,0|1,0,2]=4 6837 B11R0.148 C=CCCCCCOCC(=O)N 34a_100011216702_100000187820 [0,1,0,0,0,0|1,0,2]=4 6838 B11R0.148 C=CCCCCCOCC(=O)N 7a_100011216702_100000187820 [0,1,0,0,0,0|1,0,2]=4 6839 B11R0.148 C=CCCCCCOCC(=O)[O-] 34a_100011216702_100020667443 [0,1,0,0,0,0|1,0,2]=4 6840 B11R0.148 C=CCCCCCOCC(C)Br 34a_100012180447_100000700193 [0,1,0,0,0,0|2,0,0]=3 6841 B11R0.148 C=CCCCCCOCC(C)C 34a_100000210257_100000700193 [0,1,0,0,0,0|2,0,0]=3 6842 B11R0.148 C=CCCCCCOCC(C)C 34a_100011216702_100000210624 [0,1,0,0,0,0|2,0,0]=3 6843 B11R0.148 C=CCCCCCOCC(C)C 7a_100011216702_100000210760 [0,1,0,0,0,0|2,0,0]=3 6844 B11R0.148 C=CCCCCCOCC(C)F 34a_100015925927_100000700193 [0,1,0,0,0,0|2,0,0]=3 6845 B11R0.148 C=CCCCCCOCC(C)O 34a_100011216702_100011218427 [0,1,0,0,0,0|2,0,0]=3 6846 B11R0.148 C=CCCCCCOCC(C)O 7a_100011216702_100011218427 [0,1,0,0,0,0|2,0,0]=3 6847 B11R0.148 C=CCCCCCOCC(F)F 34a_100000743014_100000700193 [0,1,0,0,0,0|3,0,0]=4 6848 B11R0.148 C=CCCCCCOCC(F)F 34a_100011216702_100011934356 [0,1,0,0,0,0|3,0,0]=4 6849 B11R0.148 C=CCCCCCOCC(F)F 7a_100011216702_100011934356 [0,1,0,0,0,0|3,0,0]=4 6850 B11R0.148 C=CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000700193 [0,1,0,0,0,0|2,0,0]=3 6851 B11R0.148 C=CCCCCCOC[C@@H](C)N 34a_100000737577_100000700193 [0,1,0,0,0,0|2,0,0]=3 6852 B11R0.148 C=CCCCCCOC[C@@H](C)O 34a_100011216702_100009817552 [0,1,0,0,0,0|2,0,0]=3 6853 B11R0.148 C=CCCCCCOC[C@@H](C)O 7a_100011216702_100009817552 [0,1,0,0,0,0|2,0,0]=3 6854 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000700193_100000211660 [0,1,0,0,0,0|2,0,1]=4 6855 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000748629_100000700193 [0,1,0,0,0,0|2,0,1]=4 6856 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000700193_100000747473 [0,1,0,0,0,0|1,0,2]=4 6857 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000747473_100000700193 [0,1,0,0,0,0|1,0,2]=4 6858 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100000700193_100020667443 [0,1,0,0,0,0|1,0,2]=4 6859 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100020667443_100000700193 [0,1,0,0,0,0|1,0,2]=4 6860 B11R0.148 C=CCCCCCSCC(C)C 62a_100000210624_100000700193 [0,1,0,0,0,0|2,0,0]=3 6861 B11R0.148 C=CCCCCCSCC(C)C 62a_100000700193_100000210760 [0,1,0,0,0,0|2,0,0]=3 6862 B11R0.148 C=CCCCCCSCC(C)O 62a_100000700193_100011218427 [0,1,0,0,0,0|2,0,0]=3 6863 B11R0.148 C=CCCCCCSCC(C)O 62a_100011218427_100000700193 [0,1,0,0,0,0|2,0,0]=3 6864 B11R0.148 C=CCCCCCSCC(F)F 62a_100000700193_100011934356 [0,1,0,0,0,0|3,0,0]=4 6865 B11R0.148 C=CCCCCCSCC(F)F 62a_100011934356_100000700193 [0,1,0,0,0,0|3,0,0]=4 6866 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100000700193_100009817552 [0,1,0,0,0,0|2,0,0]=3 6867 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100009817552_100000700193 [0,1,0,0,0,0|2,0,0]=3 6868 B11R0.148 C=CCCCCNCCC(=C)C 2230a_100000703577_100000730704 [0,1,0,0,0,0|2,0,1]=4 6869 B11R0.148 C=CCCCCNCCC(=C)C 34a_100000703577_100000730704 [0,1,0,0,0,0|2,0,1]=4 6870 B11R0.148 C=CCCCCNCCC(=O)N 2230a_100000703577_100000744528 [0,1,0,0,0,0|1,0,2]=4 6871 B11R0.148 C=CCCCCNCCC(=O)N 34a_100000703577_100000731001 [0,1,0,0,0,0|1,0,2]=4 6872 B11R0.148 C=CCCCCNCCC(C)C 2230a_100000703577_100000210312 [0,1,0,0,0,0|2,0,0]=3 6873 B11R0.148 C=CCCCCNCCC(C)C 269862a_100000703577_100000185833 [0,1,0,0,0,0|2,0,0]=3 6874 B11R0.148 C=CCCCCNCCC(C)C 34a_100000703577_100000210312 [0,1,0,0,0,0|2,0,0]=3 6875 B11R0.148 C=CCCCCNCCC(C)O 2230a_100000703577_100012276601 [0,1,0,0,0,0|2,0,0]=3 6876 B11R0.148 C=CCCCCNCCC(C)O 2230a_200000755665_100011215482 [0,1,0,0,0,0|2,0,0]=3 6877 B11R0.148 C=CCCCCNCCC(C)O 34a_100000703577_100012276601 [0,1,0,0,0,0|2,0,0]=3 6878 B11R0.148 C=CCCCCNCOC(C)C 2230a_100000703577_100000709892 [0,1,0,0,0,0|3,0,0]=4 6879 B11R0.148 C=CCCCCNCOC(C)C 34a_100000703577_100000709892 [0,1,0,0,0,0|3,0,0]=4 6880 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000764851_100011215482 [0,1,0,0,0,0|2,0,1]=4 6881 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000766645_100000730704 [0,1,0,0,0,0|2,0,1]=4 6882 B11R0.148 C=CCCCCOCCC(=C)C 7a_100000766645_100000730704 [0,1,0,0,0,0|2,0,1]=4 6883 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [0,1,0,0,0,0|1,0,2]=4 6884 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [0,1,0,0,0,0|1,0,2]=4 6885 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [0,1,0,0,0,0|1,0,2]=4 6886 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000757172_100011215482 [0,1,0,0,0,0|1,0,2]=4 6887 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000766645_100000731001 [0,1,0,0,0,0|1,0,2]=4 6888 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000757172_100011215482 [0,1,0,0,0,0|1,0,2]=4 6889 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000766645_100000744528 [0,1,0,0,0,0|1,0,2]=4 6890 B11R0.148 C=CCCCCOCCC(C)Br 34a_100009893172_100011215482 [0,1,0,0,0,0|2,0,0]=3 6891 B11R0.148 C=CCCCCOCCC(C)C 34a_100000210254_100011215482 [0,1,0,0,0,0|2,0,0]=3 6892 B11R0.148 C=CCCCCOCCC(C)C 34a_100000766645_100000210312 [0,1,0,0,0,0|2,0,0]=3 6893 B11R0.148 C=CCCCCOCCC(C)C 7a_100000210254_100011215482 [0,1,0,0,0,0|2,0,0]=3 6894 B11R0.148 C=CCCCCOCCC(C)C 7a_100000766645_100000210626 [0,1,0,0,0,0|2,0,0]=3 6895 B11R0.148 C=CCCCCOCCC(C)O 34a_100000766645_100012276601 [0,1,0,0,0,0|2,0,0]=3 6896 B11R0.148 C=CCCCCOCCC(C)O 7a_100000766645_100012276601 [0,1,0,0,0,0|2,0,0]=3 6897 B11R0.148 C=CCCCCOCCC(F)F 34a_100103093639_100011215482 [0,1,0,0,0,0|3,0,0]=4 6898 B11R0.148 C=CCCCCOCCN(C)C 7a_100000766645_100000755713 [0,1,0,0,0,0|3,0,0]=4 6899 B11R0.148 C=CCCCCOCC[C@@H](C)N 34a_100000706166_100011215482 [0,1,0,0,0,0|2,0,0]=3 6900 B11R0.148 C=CCCCCOCOC(C)C 34a_100000766645_100000709892 [0,1,0,0,0,0|3,0,0]=4 6901 B11R0.148 C=CCCCCSCCC(=C)C 62a_100000730704_100011215482 [0,1,0,0,0,0|2,0,1]=4 6902 B11R0.148 C=CCCCCSCCC(=C)C 62a_100011215482_100000730704 [0,1,0,0,0,0|2,0,1]=4 6903 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [0,1,0,0,0,0|1,0,2]=4 6904 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [0,1,0,0,0,0|1,0,2]=4 6905 B11R0.148 C=CCCCCSCCC(=O)N 62a_100000744528_100011215482 [0,1,0,0,0,0|1,0,2]=4 6906 B11R0.148 C=CCCCCSCCC(=O)N 62a_100011215482_100000744528 [0,1,0,0,0,0|1,0,2]=4 6907 B11R0.148 C=CCCCCSCCC(C)C 62a_100000210312_100011215482 [0,1,0,0,0,0|2,0,0]=3 6908 B11R0.148 C=CCCCCSCCC(C)C 62a_100011215482_100000210312 [0,1,0,0,0,0|2,0,0]=3 6909 B11R0.148 C=CCCCCSCCC(C)O 62a_100011215482_100012276601 [0,1,0,0,0,0|2,0,0]=3 6910 B11R0.148 C=CCCCCSCCC(C)O 62a_100012276601_100011215482 [0,1,0,0,0,0|2,0,0]=3 6911 B11R0.148 C=CCCCCSCCN(C)C 62a_100011215482_100000755713 [0,1,0,0,0,0|3,0,0]=4 6912 B11R0.148 C=CCCCCSCOC(C)C 62a_100000709892_100011215482 [0,1,0,0,0,0|3,0,0]=4 6913 B11R0.148 C=CCCCCSCOC(C)C 62a_100011215482_100000709892 [0,1,0,0,0,0|3,0,0]=4 6914 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [0,1,0,0,0,0|1,0,2]=4 6915 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000700776_100102525003 [0,1,0,0,0,0|1,0,2]=4 6916 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000739312_100000757094 [0,1,0,0,0,0|1,0,2]=4 6917 B11R0.148 C=CCCCNCCCC(C)C 2230a_100000700776_100011214892 [0,1,0,0,0,0|2,0,0]=3 6918 B11R0.148 C=CCCCNCCCC(C)C 2230a_200000737386_100011713584 [0,1,0,0,0,0|2,0,0]=3 6919 B11R0.148 C=CCCCNCCCC(C)C 34a_100000700776_100011214892 [0,1,0,0,0,0|2,0,0]=3 6920 B11R0.148 C=CCCCNCCCC(C)C 34a_200000737386_100000757094 [0,1,0,0,0,0|2,0,0]=3 6921 B11R0.148 C=CCCCNCCCC(C)O 2230a_100000700776_200000718107 [0,1,0,0,0,0|2,0,0]=3 6922 B11R0.148 C=CCCCNCCCC(C)O 34a_100000700776_200000718107 [0,1,0,0,0,0|2,0,0]=3 6923 B11R0.148 C=CCCCNCCCS(=O)C 2230a_200000753449_100011713584 [0,1,0,0,0,0|3,0,0]=4 6924 B11R0.148 C=CCCCNCCOC(C)C 2230a_100000700776_100000211751 [0,1,0,0,0,0|3,0,0]=4 6925 B11R0.148 C=CCCCNCCOC(C)C 2230a_100000701111_100011713584 [0,1,0,0,0,0|3,0,0]=4 6926 B11R0.148 C=CCCCNCCOC(C)C 34a_100000700776_100000211751 [0,1,0,0,0,0|3,0,0]=4 6927 B11R0.148 C=CCCCNCCOC(C)C 34a_100000701111_100000757094 [0,1,0,0,0,0|3,0,0]=4 6928 B11R0.148 C=CCCCNCCSC(C)C 2230a_100000700776_100000730970 [0,1,0,0,0,0|3,0,0]=4 6929 B11R0.148 C=CCCCNCCSC(C)C 2230a_100000731138_100011713584 [0,1,0,0,0,0|3,0,0]=4 6930 B11R0.148 C=CCCCNCCSC(C)C 34a_100000700776_100000730970 [0,1,0,0,0,0|3,0,0]=4 6931 B11R0.148 C=CCCCNCCSC(C)C 34a_100000731138_100000757094 [0,1,0,0,0,0|3,0,0]=4 6932 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [0,1,0,0,0,0|1,0,2]=4 6933 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [0,1,0,0,0,0|1,0,2]=4 6934 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [0,1,0,0,0,0|1,0,2]=4 6935 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [0,1,0,0,0,0|1,0,2]=4 6936 B11R0.148 C=CCCCOCCCC(=O)N 34a_100000758997_100102525003 [0,1,0,0,0,0|1,0,2]=4 6937 B11R0.148 C=CCCCOCCCC(=O)N 7a_100000758997_100102525003 [0,1,0,0,0,0|1,0,2]=4 6938 B11R0.148 C=CCCCOCCCC(C)C 34a_100000210774_100000757094 [0,1,0,0,0,0|2,0,0]=3 6939 B11R0.148 C=CCCCOCCCC(C)C 34a_100000758997_100011214892 [0,1,0,0,0,0|2,0,0]=3 6940 B11R0.148 C=CCCCOCCCC(C)C 7a_100000210774_100000757094 [0,1,0,0,0,0|2,0,0]=3 6941 B11R0.148 C=CCCCOCCCC(C)C 7a_100000758997_100011214892 [0,1,0,0,0,0|2,0,0]=3 6942 B11R0.148 C=CCCCOCCCC(C)O 34a_100000758997_200000718107 [0,1,0,0,0,0|2,0,0]=3 6943 B11R0.148 C=CCCCOCCCC(C)O 7a_100000758997_200000718107 [0,1,0,0,0,0|2,0,0]=3 6944 B11R0.148 C=CCCCOCCCN(C)C 7a_100000758997_100000757444 [0,1,0,0,0,0|3,0,0]=4 6945 B11R0.148 C=CCCCOCCNC(C)C 34a_100000224655_100000757094 [0,1,0,0,0,0|3,0,0]=4 6946 B11R0.148 C=CCCCOCCOC(C)C 34a_100000211219_100000757094 [0,1,0,0,0,0|3,0,0]=4 6947 B11R0.148 C=CCCCOCCOC(C)C 34a_100000758997_100000211751 [0,1,0,0,0,0|3,0,0]=4 6948 B11R0.148 C=CCCCOCCOC(C)C 7a_100000211219_100000757094 [0,1,0,0,0,0|3,0,0]=4 6949 B11R0.148 C=CCCCOCCOC(C)C 7a_100000758997_100000211751 [0,1,0,0,0,0|3,0,0]=4 6950 B11R0.148 C=CCCCOCCSC(C)C 34a_100000758997_100000730970 [0,1,0,0,0,0|3,0,0]=4 6951 B11R0.148 C=CCCCOCCSC(C)C 34a_200011212901_100000757094 [0,1,0,0,0,0|3,0,0]=4 6952 B11R0.148 C=CCCCOCCSC(C)C 7a_100000758997_100000730970 [0,1,0,0,0,0|3,0,0]=4 6953 B11R0.148 C=CCCCOCCSC(C)C 7a_200011212901_100000757094 [0,1,0,0,0,0|3,0,0]=4 6954 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [0,1,0,0,0,0|1,0,2]=4 6955 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [0,1,0,0,0,0|1,0,2]=4 6956 B11R0.148 C=CCCCSCCCC(=O)N 62a_100011713584_100102525003 [0,1,0,0,0,0|1,0,2]=4 6957 B11R0.148 C=CCCCSCCCC(=O)N 62a_100102525003_100000757094 [0,1,0,0,0,0|1,0,2]=4 6958 B11R0.148 C=CCCCSCCCC(C)C 62a_100011214892_100000757094 [0,1,0,0,0,0|2,0,0]=3 6959 B11R0.148 C=CCCCSCCCC(C)C 62a_100011713584_100011214892 [0,1,0,0,0,0|2,0,0]=3 6960 B11R0.148 C=CCCCSCCCC(C)O 62a_100011713584_200000718107 [0,1,0,0,0,0|2,0,0]=3 6961 B11R0.148 C=CCCCSCCCC(C)O 62a_200000718107_100000757094 [0,1,0,0,0,0|2,0,0]=3 6962 B11R0.148 C=CCCCSCCCN(C)C 62a_100011713584_100000757444 [0,1,0,0,0,0|3,0,0]=4 6963 B11R0.148 C=CCCCSCCOC(C)C 62a_100000211751_100000757094 [0,1,0,0,0,0|3,0,0]=4 6964 B11R0.148 C=CCCCSCCOC(C)C 62a_100011713584_100000211751 [0,1,0,0,0,0|3,0,0]=4 6965 B11R0.148 C=CCCCSCCSC(C)C 62a_100000730970_100000757094 [0,1,0,0,0,0|3,0,0]=4 6966 B11R0.148 C=CCCCSCCSC(C)C 62a_100011713584_100000730970 [0,1,0,0,0,0|3,0,0]=4 6967 B11R0.148 C=CCCNCCCCC(=O)N 34a_100000696515_100000754431 [0,1,0,0,0,0|1,0,2]=4 6968 B11R0.148 C=CCCNCCCCC(C)C 2230a_100015191253_100011216152 [0,1,0,0,0,0|2,0,0]=3 6969 B11R0.148 C=CCCNCCCOC(C)C 2230a_100000737246_100000754431 [0,1,0,0,0,0|3,0,0]=4 6970 B11R0.148 C=CCCNCCCOC(C)C 34a_100000737246_100000754431 [0,1,0,0,0,0|3,0,0]=4 6971 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [0,1,0,0,0,0|1,0,2]=4 6972 B11R0.148 C=CCCOCCCCC(=O)N 34a_100012022536_100000754431 [0,1,0,0,0,0|1,0,2]=4 6973 B11R0.148 C=CCCOCCCCC(=O)N 7a_100012022536_100000754431 [0,1,0,0,0,0|1,0,2]=4 6974 B11R0.148 C=CCCOCCCCC(C)C 34a_100011205117_100011216152 [0,1,0,0,0,0|2,0,0]=3 6975 B11R0.148 C=CCCOCCCCC(C)C 34a_100011214890_100000754431 [0,1,0,0,0,0|2,0,0]=3 6976 B11R0.148 C=CCCOCCCCC(C)C 7a_100011214890_100000754431 [0,1,0,0,0,0|2,0,0]=3 6977 B11R0.148 C=CCCOCCCNC(C)C 34a_100000182298_100000754431 [0,1,0,0,0,0|3,0,0]=4 6978 B11R0.148 C=CCCOCCNCC(C)C 34a_100015185251_100000754431 [0,1,0,0,0,0|3,0,0]=4 6979 B11R0.148 C=CCCOCCOCC(C)C 34a_100000703358_100000754431 [0,1,0,0,0,0|3,0,0]=4 6980 B11R0.148 C=CCCOCCOCC(C)C 7a_100000703358_100000754431 [0,1,0,0,0,0|3,0,0]=4 6981 B11R0.148 C=CCCOCCSCC(C)C 34a_200000230437_100000754431 [0,1,0,0,0,0|3,0,0]=4 6982 B11R0.148 C=CCCOCCSCC(C)C 7a_200000230437_100000754431 [0,1,0,0,0,0|3,0,0]=4 6983 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [0,1,0,0,0,0|1,0,2]=4 6984 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [0,1,0,0,0,0|1,0,2]=4 6985 B11R0.148 C=CCCSCCCCC(C)C 62a_100000754431_100011216152 [0,1,0,0,0,0|2,0,0]=3 6986 B11R0.148 C=CCCSCCCCC(C)C 62a_100011216152_100000754431 [0,1,0,0,0,0|2,0,0]=3 6987 B11R0.148 C=CCCSCCCCN(C)C 62a_100000754431_100000690147 [0,1,0,0,0,0|3,0,0]=4 6988 B11R0.148 C=CCNCCCCCC(=O)N 2230a_100020586998_100009817443 [0,1,0,0,0,0|1,0,2]=4 6989 B11R0.148 C=CCNCCCCCC(C)C 2230a_100011290863_100000210623 [0,1,0,0,0,0|2,0,0]=3 6990 B11R0.148 C=CCNCCCCCC(C)C 2230a_100020586998_100000210682 [0,1,0,0,0,0|2,0,0]=3 6991 B11R0.148 C=CCNCCCCCC(C)C 34a_100011290863_100015514636 [0,1,0,0,0,0|2,0,0]=3 6992 B11R0.148 C=CCNCCCOCC(C)C 2230a_100000205972_100000210623 [0,1,0,0,0,0|3,0,0]=4 6993 B11R0.148 C=CCNCCCOCC(C)C 34a_100000205972_100015514636 [0,1,0,0,0,0|3,0,0]=4 6994 B11R0.148 C=CCOCCCCCC(=O)N 34a_100000123541_100015514636 [0,1,0,0,0,0|1,0,2]=4 6995 B11R0.148 C=CCOCCCCCC(=O)N 34a_200000210373_100009817443 [0,1,0,0,0,0|1,0,2]=4 6996 B11R0.148 C=CCOCCCCCC(=O)N 7a_100000123541_100015514636 [0,1,0,0,0,0|1,0,2]=4 6997 B11R0.148 C=CCOCCCCCC(=O)[O-] 7a_100102619762_100015514636 [0,1,0,0,0,0|1,0,2]=4 6998 B11R0.148 C=CCOCCCCCC(C)C 34a_100011995859_100015514636 [0,1,0,0,0,0|2,0,0]=3 6999 B11R0.148 C=CCOCCCCCC(C)C 34a_200000210373_100000210682 [0,1,0,0,0,0|2,0,0]=3 7000 B11R0.148 C=CCOCCCCCC(C)C 7a_100011995859_100015514636 [0,1,0,0,0,0|2,0,0]=3 7001 B11R0.148 C=CCOCCCCNC(C)C 34a_100011521146_100015514636 [0,1,0,0,0,0|3,0,0]=4 7002 B11R0.148 C=CCOCCOCCC(C)C 34a_100000037705_100000210312 [0,1,0,0,0,0|3,0,0]=4 7003 B11R0.148 C=CCOCCOCCC(C)C 7a_100000037705_100000210626 [0,1,0,0,0,0|3,0,0]=4 7004 B11R0.148 C=CCOCCOCCC(C)O 34a_100000037705_100012276601 [0,1,0,0,0,0|3,0,0]=4 7005 B11R0.148 C=CCOCCOCCC(C)O 7a_100000037705_100012276601 [0,1,0,0,0,0|3,0,0]=4 7006 B11R0.148 C=CCSCCCCCC(=O)N 62a_100000210623_100009817443 [0,1,0,0,0,0|1,0,2]=4 7007 B11R0.148 C=CCSCCCCCC(=O)N 62a_100009817443_100000210623 [0,1,0,0,0,0|1,0,2]=4 7008 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210623_100000210682 [0,1,0,0,0,0|2,0,0]=3 7009 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210682_100000210623 [0,1,0,0,0,0|2,0,0]=3 7010 B11R0.148 C=COCCCCOCC(C)C 34a_100000031558_100000210624 [0,1,0,0,0,0|3,0,0]=4 7011 B11R0.148 C=COCCCCOCC(C)C 7a_100000031558_100000210760 [0,1,0,0,0,0|3,0,0]=4 7012 B11R0.148 C=COCCCCOCC(C)O 34a_100000031558_100011218427 [0,1,0,0,0,0|3,0,0]=4 7013 B11R0.148 C=COCCCCOCC(C)O 7a_100000031558_100011218427 [0,1,0,0,0,0|3,0,0]=4 7014 B11R0.148 C=COCCCCOC[C@@H](C)O 34a_100000031558_100009817552 [0,1,0,0,0,0|3,0,0]=4 7015 B11R0.148 C=COCCCCOC[C@@H](C)O 7a_100000031558_100009817552 [0,1,0,0,0,0|3,0,0]=4 7016 B11R0.148 C=COCCCNCCC(C)C 2230a_100000210767_100000210312 [0,1,0,0,0,0|3,0,0]=4 7017 B11R0.148 C=COCCCNCCC(C)C 269862a_100000210767_100000185833 [0,1,0,0,0,0|3,0,0]=4 7018 B11R0.148 C=COCCCNCCC(C)C 34a_100000210767_100000210312 [0,1,0,0,0,0|3,0,0]=4 7019 B11R0.148 C=COCCCNCCC(C)O 2230a_100000210767_100012276601 [0,1,0,0,0,0|3,0,0]=4 7020 B11R0.148 C=COCCCNCCC(C)O 34a_100000210767_100012276601 [0,1,0,0,0,0|3,0,0]=4 7021 B11R0.148 C=COCCNCCCC(C)C 2230a_200000737386_100000039644 [0,1,0,0,0,0|3,0,0]=4 7022 B11R0.148 C=COCCNCCCC(C)C 34a_200000737386_100000039644 [0,1,0,0,0,0|3,0,0]=4 7023 B11R0.148 C=COCCOCCCC(C)C 34a_100000033082_100011214892 [0,1,0,0,0,0|3,0,0]=4 7024 B11R0.148 C=COCCOCCCC(C)C 34a_100000210774_100000039644 [0,1,0,0,0,0|3,0,0]=4 7025 B11R0.148 C=COCCOCCCC(C)C 7a_100000210774_100000039644 [0,1,0,0,0,0|3,0,0]=4 7026 B11R0.148 C=COCCOCCCC(C)O 34a_100000033082_200000718107 [0,1,0,0,0,0|3,0,0]=4 7027 B11R0.148 C=COCCSCCCC(C)C 62a_100000039644_100011214892 [0,1,0,0,0,0|3,0,0]=4 7028 B11R0.148 C=COCCSCCCC(C)C 62a_100011214892_100000039644 [0,1,0,0,0,0|3,0,0]=4 7029 B11R0.148 C=COCCSCCCC(C)O 62a_100000039644_200000718107 [0,1,0,0,0,0|3,0,0]=4 7030 B11R0.148 C=COCCSCCCC(C)O 62a_200000718107_100000039644 [0,1,0,0,0,0|3,0,0]=4 7031 B11R0.148 CC#CCCOCCCC(=O)C 34a_100000750427_100000685027 [0,1,0,0,0,0|1,0,2]=4 7032 B11R0.148 CC#CCCOCCCC(=O)N 34a_100000750427_100102525003 [0,1,0,0,0,0|1,0,2]=4 7033 B11R0.148 CC#CCNCCCCC(=O)C 34a_100000685387_100009817362 [0,1,0,0,0,0|1,0,2]=4 7034 B11R0.148 CC#CCNCCCCC(=O)N 34a_100000696515_100000748600 [0,1,0,0,0,0|1,0,2]=4 7035 B11R0.148 CC#CCOCCCCC(=O)C 34a_100000761923_100009817362 [0,1,0,0,0,0|1,0,2]=4 7036 B11R0.148 CC#CCOCCCCC(=O)N 34a_100012022536_100000748600 [0,1,0,0,0,0|1,0,2]=4 7037 B11R0.148 CC#CCOCCCCC(=O)N 7a_100012022536_100000748600 [0,1,0,0,0,0|1,0,2]=4 7038 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000735457_100000748600 [0,1,0,0,0,0|1,0,2]=4 7039 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000748600_100000735457 [0,1,0,0,0,0|1,0,2]=4 7040 B11R0.148 CC(=CCCSCCCC=O)C 62a_100011217483_200011292268 [0,1,0,0,0,0|1,0,2]=4 7041 B11R0.148 CC(=CCCSCCCC=O)C 62a_200011292268_100011217483 [0,1,0,0,0,0|1,0,2]=4 7042 B11R0.148 CC(=CCSCCCCC=O)C 62a_100000139335_100000761012 [0,1,0,0,0,0|1,0,2]=4 7043 B11R0.148 CC(=CCSCCCCC=O)C 62a_100000761012_100000139335 [0,1,0,0,0,0|1,0,2]=4 7044 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,1,0,0,0,0|1,0,0]=2 7045 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,1,0,0,0,0|2,0,0]=3 7046 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,1,0,0,0,0|2,0,0]=3 7047 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,1,0,0,0,0|2,0,0]=3 7048 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,1,0,0,0,0|2,0,0]=3 7049 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,1,0,0,0,0|2,0,0]=3 7050 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [0,1,0,0,0,0|3,0,0]=4 7051 B11R0.148 CC(=O)CCCCSCCC#N 62a_100000735457_100011215226 [0,1,0,0,0,0|2,0,1]=4 7052 B11R0.148 CC(=O)CCCCSCCC#N 62a_100011215226_100000735457 [0,1,0,0,0,0|2,0,1]=4 7053 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,1,0,0,0,0|2,0,0]=3 7054 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,1,0,0,0,0|2,0,0]=3 7055 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,1,0,0,0,0|2,0,0]=3 7056 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,1,0,0,0,0|2,0,0]=3 7057 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,1,0,0,0,0|2,0,0]=3 7058 B11R0.148 CC(=O)CCCOCCCC#N 7a_100000759063_100000687738 [0,1,0,0,0,0|2,0,1]=4 7059 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [0,1,0,0,0,0|1,0,1]=3 7060 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,1,0,0,0,0|2,0,0]=3 7061 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,1,0,0,0,0|2,0,0]=3 7062 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,1,0,0,0,0|2,0,0]=3 7063 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,1,0,0,0,0|2,0,0]=3 7064 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,1,0,0,0,0|2,0,0]=3 7065 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,1,0,0,0,0|2,0,0]=3 7066 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,1,0,0,0,0|2,0,0]=3 7067 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,1,0,0,0,0|2,0,0]=3 7068 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,1,0,0,0,0|2,0,0]=3 7069 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,1,0,0,0,0|2,0,0]=3 7070 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,1,0,0,0,0|2,0,0]=3 7071 B11R0.148 CC(=O)CCCSCCCC#N 62a_100000687738_100011215641 [0,1,0,0,0,0|2,0,1]=4 7072 B11R0.148 CC(=O)CCCSCCCC#N 62a_100011215641_100000687738 [0,1,0,0,0,0|2,0,1]=4 7073 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [0,1,0,0,0,0|1,0,1]=3 7074 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [0,1,0,0,0,0|1,0,1]=3 7075 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,1,0,0,0,0|2,0,0]=3 7076 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,1,0,0,0,0|2,0,0]=3 7077 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,1,0,0,0,0|2,0,0]=3 7078 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,1,0,0,0,0|2,0,0]=3 7079 B11R0.148 CC(=O)CCOCCCCC#N 7a_100000759926_100000211819 [0,1,0,0,0,0|2,0,1]=4 7080 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [0,1,0,0,0,0|1,0,1]=3 7081 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,1,0,0,0,0|2,0,0]=3 7082 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,1,0,0,0,0|2,0,0]=3 7083 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,1,0,0,0,0|2,0,0]=3 7084 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,1,0,0,0,0|2,0,0]=3 7085 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,1,0,0,0,0|2,0,0]=3 7086 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,1,0,0,0,0|2,0,0]=3 7087 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,1,0,0,0,0|2,0,0]=3 7088 B11R0.148 CC(=O)CCOCCOCCBr 7a_100000692535_100000053229 [0,1,0,0,0,0|3,0,0]=4 7089 B11R0.148 CC(=O)CCOCCOCCCl 7a_100011215305_100000053229 [0,1,0,0,0,0|3,0,0]=4 7090 B11R0.148 CC(=O)CCOCCOCCF 7a_200015357709_100000053229 [0,1,0,0,0,0|3,0,0]=4 7091 B11R0.148 CC(=O)CCOCCOCCI 7a_100012149058_100000053229 [0,1,0,0,0,0|3,0,0]=4 7092 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [0,1,0,0,0,0|3,0,0]=4 7093 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [0,1,0,0,0,0|3,0,0]=4 7094 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [0,1,0,0,0,0|3,0,0]=4 7095 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [0,1,0,0,0,0|3,0,0]=4 7096 B11R0.148 CC(=O)CCSCCCCC#N 62a_100000053229_100000211819 [0,1,0,0,0,0|2,0,1]=4 7097 B11R0.148 CC(=O)CCSCCCCC#N 62a_100011219923_100000053229 [0,1,0,0,0,0|2,0,1]=4 7098 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [0,1,0,0,0,0|1,0,1]=3 7099 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [0,1,0,0,0,0|1,0,1]=3 7100 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,1,0,0,0,0|2,0,0]=3 7101 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,1,0,0,0,0|2,0,0]=3 7102 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,1,0,0,0,0|2,0,0]=3 7103 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,1,0,0,0,0|2,0,0]=3 7104 B11R0.148 CC(=O)CCSCCOCCO 62a_100000053229_100011215305 [0,1,0,0,0,0|3,0,0]=4 7105 B11R0.148 CC(=O)CCSCCOCCO 62a_100011215305_100000053229 [0,1,0,0,0,0|3,0,0]=4 7106 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,1,0,0,0,0|2,0,0]=3 7107 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,1,0,0,0,0|2,0,0]=3 7108 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,1,0,0,0,0|2,0,0]=3 7109 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,1,0,0,0,0|2,0,0]=3 7110 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,1,0,0,0,0|2,0,0]=3 7111 B11R0.148 CC(=O)NCCCCCNCF 34a_200012022750_100015361967 [0,1,0,0,0,0|3,0,0]=4 7112 B11R0.148 CC(=O)NCCCCNCC=O 2230a_200011368371_200015260668 [0,1,0,0,0,0|2,0,1]=4 7113 B11R0.148 CC(=O)NCCCCNCC=O 34a_200011368371_200009817547 [0,1,0,0,0,0|2,0,1]=4 7114 B11R0.148 CC(=O)NCCCCNCCF 2230a_200011368371_100011217306 [0,1,0,0,0,0|3,0,0]=4 7115 B11R0.148 CC(=O)NCCCCNCCF 34a_200011368371_100011217306 [0,1,0,0,0,0|3,0,0]=4 7116 B11R0.148 CC(=O)NCCCCNCCO 2230a_200011368371_100000211926 [0,1,0,0,0,0|3,0,0]=4 7117 B11R0.148 CC(=O)NCCCCNCCO 34a_200011368371_100000211926 [0,1,0,0,0,0|3,0,0]=4 7118 B11R0.148 CC(=O)NCCCNCCCF 34a_100000736810_100011934791 [0,1,0,0,0,0|3,0,0]=4 7119 B11R0.148 CC(=O)NCCCNCCCO 34a_100000736810_100000230001 [0,1,0,0,0,0|3,0,0]=4 7120 B11R0.148 CC(=O)NCCCOCCCF 34a_100000752032_100011934791 [0,1,0,0,0,0|3,0,0]=4 7121 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [0,1,0,0,0,0|3,0,0]=4 7122 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [0,1,0,0,0,0|3,0,0]=4 7123 B11R0.148 CC(=O)NCCNCCCC=O 2230a_100000209853_200011292268 [0,1,0,0,0,0|2,0,1]=4 7124 B11R0.148 CC(=O)NCCNCCCCF 2230a_100000209853_100000729493 [0,1,0,0,0,0|3,0,0]=4 7125 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000209853_100000210776 [0,1,0,0,0,0|3,0,0]=4 7126 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000750430_100000189650 [0,1,0,0,0,0|3,0,0]=4 7127 B11R0.148 CC(=O)NCCOCCCCCl 7a_100000210776_100000189650 [0,1,0,0,0,0|3,0,0]=4 7128 B11R0.148 CC(=O)NCCOCCCCF 34a_100000158858_100000729493 [0,1,0,0,0,0|3,0,0]=4 7129 B11R0.148 CC(=O)NCCOCCCCF 7a_100011995726_100000189650 [0,1,0,0,0,0|3,0,0]=4 7130 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [0,1,0,0,0,0|3,0,0]=4 7131 B11R0.148 CC(=O)NCCSCCCC=O 62a_100000189650_200011292268 [0,1,0,0,0,0|2,0,1]=4 7132 B11R0.148 CC(=O)NCCSCCCC=O 62a_200011292268_100000189650 [0,1,0,0,0,0|2,0,1]=4 7133 B11R0.148 CC(=O)NCCSCCCCF 62a_100000189650_100000729493 [0,1,0,0,0,0|3,0,0]=4 7134 B11R0.148 CC(=O)NCCSCCCCF 62a_100000729493_100000189650 [0,1,0,0,0,0|3,0,0]=4 7135 B11R0.148 CC(=O)NCCSCCCCO 62a_100000189650_100000210776 [0,1,0,0,0,0|3,0,0]=4 7136 B11R0.148 CC(=O)NCCSCCCCO 62a_100000210776_100000189650 [0,1,0,0,0,0|3,0,0]=4 7137 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [0,1,0,0,0,0|3,0,0]=4 7138 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [0,1,0,0,0,0|3,0,0]=4 7139 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [0,1,0,0,0,0|3,0,0]=4 7140 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,1,0,0,0,0|3,0,0]=4 7141 B11R0.148 CC(=O)OCCCCOCC=O 34a_100000073216_200009817547 [0,1,0,0,0,0|2,0,1]=4 7142 B11R0.148 CC(=O)OCCCCOCC=O 7a_100000073216_200015260668 [0,1,0,0,0,0|2,0,1]=4 7143 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [0,1,0,0,0,0|3,0,0]=4 7144 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [0,1,0,0,0,0|3,0,0]=4 7145 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [0,1,0,0,0,0|3,0,0]=4 7146 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [0,1,0,0,0,0|3,0,0]=4 7147 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,1,0,0,0,0|3,0,0]=4 7148 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,1,0,0,0,0|3,0,0]=4 7149 B11R0.148 CC(=O)OCCCCSCC=O 62a_100000033659_200015260668 [0,1,0,0,0,0|2,0,1]=4 7150 B11R0.148 CC(=O)OCCCCSCC=O 62a_200015260668_100000033659 [0,1,0,0,0,0|2,0,1]=4 7151 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [0,1,0,0,0,0|3,0,0]=4 7152 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [0,1,0,0,0,0|3,0,0]=4 7153 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,1,0,0,0,0|3,0,0]=4 7154 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,1,0,0,0,0|3,0,0]=4 7155 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [0,1,0,0,0,0|3,0,0]=4 7156 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [0,1,0,0,0,0|3,0,0]=4 7157 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [0,1,0,0,0,0|3,0,0]=4 7158 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [0,1,0,0,0,0|3,0,0]=4 7159 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,1,0,0,0,0|3,0,0]=4 7160 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [0,1,0,0,0,0|3,0,0]=4 7161 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [0,1,0,0,0,0|3,0,0]=4 7162 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,1,0,0,0,0|3,0,0]=4 7163 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,1,0,0,0,0|3,0,0]=4 7164 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,1,0,0,0,0|3,0,0]=4 7165 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [0,1,0,0,0,0|3,0,0]=4 7166 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [0,1,0,0,0,0|3,0,0]=4 7167 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [0,1,0,0,0,0|3,0,0]=4 7168 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [0,1,0,0,0,0|3,0,0]=4 7169 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [0,1,0,0,0,0|3,0,0]=4 7170 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [0,1,0,0,0,0|3,0,0]=4 7171 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,1,0,0,0,0|3,0,0]=4 7172 B11R0.148 CC(=O)OCCSCCCC=O 62a_100009814007_200011292268 [0,1,0,0,0,0|2,0,1]=4 7173 B11R0.148 CC(=O)OCCSCCCC=O 62a_200011292268_100009814007 [0,1,0,0,0,0|2,0,1]=4 7174 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [0,1,0,0,0,0|3,0,0]=4 7175 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [0,1,0,0,0,0|3,0,0]=4 7176 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,1,0,0,0,0|3,0,0]=4 7177 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,1,0,0,0,0|3,0,0]=4 7178 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,1,0,0,0,0|3,0,0]=4 7179 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [0,1,0,0,0,0|3,0,0]=4 7180 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [0,1,0,0,0,0|3,0,0]=4 7181 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [0,1,0,0,0,0|3,0,0]=4 7182 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,1,0,0,0,0|3,0,0]=4 7183 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000076356_100000139335 [0,1,0,0,0,0|2,0,1]=4 7184 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000139335_100000076356 [0,1,0,0,0,0|2,0,1]=4 7185 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [0,1,0,0,0,0|3,0,0]=4 7186 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [0,1,0,0,0,0|3,0,0]=4 7187 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,1,0,0,0,0|3,0,0]=4 7188 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,1,0,0,0,0|3,0,0]=4 7189 B11R0.148 CC(=O)SCCCCNCCF 34a_100000724931_200010402107 [0,1,0,0,0,0|3,0,0]=4 7190 B11R0.148 CC(=O)SCCCCNCCO 2230a_100016997473_200010402107 [0,1,0,0,0,0|3,0,0]=4 7191 B11R0.148 CC(=O)SCCCCNCCO 34a_100016990907_200010402107 [0,1,0,0,0,0|3,0,0]=4 7192 B11R0.148 CC(=O)SCCCCOCCBr 34a_100000211926_200010402107 [0,1,0,0,0,0|3,0,0]=4 7193 B11R0.148 CC(=O)SCCCCOCCN 34a_100000210304_200010402107 [0,1,0,0,0,0|3,0,0]=4 7194 B11R0.148 CC(=O)SCCCCSCC=O 62a_200010402107_200015260668 [0,1,0,0,0,0|2,0,1]=4 7195 B11R0.148 CC(=O)SCCCCSCC=O 62a_200015260668_200010402107 [0,1,0,0,0,0|2,0,1]=4 7196 B11R0.148 CC(=O)SCCCCSCCF 62a_100011217306_200010402107 [0,1,0,0,0,0|3,0,0]=4 7197 B11R0.148 CC(=O)SCCCCSCCF 62a_200010402107_100011217306 [0,1,0,0,0,0|3,0,0]=4 7198 B11R0.148 CC(=O)SCCCCSCCO 62a_100000211926_200010402107 [0,1,0,0,0,0|3,0,0]=4 7199 B11R0.148 CC(=O)SCCCCSCCO 62a_200010402107_100000211926 [0,1,0,0,0,0|3,0,0]=4 7200 B11R0.148 CC(=O)SCCCNCCCF 2230a_100015189416_100000038929 [0,1,0,0,0,0|3,0,0]=4 7201 B11R0.148 CC(=O)SCCCNCCCF 34a_100015189416_100000038929 [0,1,0,0,0,0|3,0,0]=4 7202 B11R0.148 CC(=O)SCCCOCCCBr 34a_100011217188_100000038929 [0,1,0,0,0,0|3,0,0]=4 7203 B11R0.148 CC(=O)SCCCOCCCCl 34a_100000230001_100000038929 [0,1,0,0,0,0|3,0,0]=4 7204 B11R0.148 CC(=O)SCCCOCCCF 34a_100000759539_100000038929 [0,1,0,0,0,0|3,0,0]=4 7205 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [0,1,0,0,0,0|3,0,0]=4 7206 B11R0.148 CC(=O)SCCCSCCCF 62a_100000038929_100011934791 [0,1,0,0,0,0|3,0,0]=4 7207 B11R0.148 CC(=O)SCCCSCCCF 62a_100011934791_100000038929 [0,1,0,0,0,0|3,0,0]=4 7208 B11R0.148 CC(=O)SCCCSCCCO 62a_100000038929_100011215043 [0,1,0,0,0,0|3,0,0]=4 7209 B11R0.148 CC(=O)SCCCSCCCO 62a_100011215043_100000038929 [0,1,0,0,0,0|3,0,0]=4 7210 B11R0.148 CC(Br)CCOCCCCCF 34a_100009893172_100000729378 [0,1,0,0,0,0|2,0,1]=4 7211 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [0,1,0,0,0,0|1,0,2]=4 7212 B11R0.148 CC(Br)COCCCCCCF 34a_100012180447_100015922095 [0,1,0,0,0,0|2,0,1]=4 7213 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [0,1,0,0,0,0|1,0,2]=4 7214 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [0,1,0,0,0,0|2,0,0]=3 7215 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [0,1,0,0,0,0|2,0,0]=3 7216 B11R0.148 CC(C)CCCCCCNCF 34a_100000211014_100015361967 [0,1,0,0,0,0|2,0,1]=4 7217 B11R0.148 CC(C)CCCCCNCC#N 2230a_100011290863_100011215382 [0,1,0,0,0,0|2,0,1]=4 7218 B11R0.148 CC(C)CCCCCNCC=O 2230a_100011290863_200015260668 [0,1,0,0,0,0|1,0,0]=2 7219 B11R0.148 CC(C)CCCCCNCC=O 34a_100011290863_200009817547 [0,1,0,0,0,0|1,0,0]=2 7220 B11R0.148 CC(C)CCCCCNCCF 2230a_100011290863_100011217306 [0,1,0,0,0,0|2,0,1]=4 7221 B11R0.148 CC(C)CCCCCNCCF 34a_100000724931_100000210682 [0,1,0,0,0,0|2,0,1]=4 7222 B11R0.148 CC(C)CCCCCNCCF 34a_100011290863_100011217306 [0,1,0,0,0,0|2,0,1]=4 7223 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [0,1,0,0,0,0|1,0,2]=4 7224 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [0,1,0,0,0,0|1,0,2]=4 7225 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [0,1,0,0,0,0|1,0,2]=4 7226 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [0,1,0,0,0,0|1,0,2]=4 7227 B11R0.148 CC(C)CCCCCOCC#N 7a_100011995859_100011215382 [0,1,0,0,0,0|2,0,1]=4 7228 B11R0.148 CC(C)CCCCCOCC=O 34a_100011995859_200009817547 [0,1,0,0,0,0|1,0,0]=2 7229 B11R0.148 CC(C)CCCCCOCC=O 7a_100011995859_200015260668 [0,1,0,0,0,0|1,0,0]=2 7230 B11R0.148 CC(C)CCCCCOCCBr 34a_100000211926_100000210682 [0,1,0,0,0,0|2,0,1]=4 7231 B11R0.148 CC(C)CCCCCOCCF 34a_100011995859_100011217306 [0,1,0,0,0,0|2,0,1]=4 7232 B11R0.148 CC(C)CCCCCOCCF 7a_100011995859_100011217306 [0,1,0,0,0,0|2,0,1]=4 7233 B11R0.148 CC(C)CCCCCOCCN 34a_100000210304_100000210682 [0,1,0,0,0,0|2,0,1]=4 7234 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [0,1,0,0,0,0|1,0,2]=4 7235 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [0,1,0,0,0,0|1,0,2]=4 7236 B11R0.148 CC(C)CCCCCSCC#N 62a_100000210682_100011215382 [0,1,0,0,0,0|2,0,1]=4 7237 B11R0.148 CC(C)CCCCCSCC#N 62a_100011215382_100000210682 [0,1,0,0,0,0|2,0,1]=4 7238 B11R0.148 CC(C)CCCCCSCC=O 62a_100000210682_200015260668 [0,1,0,0,0,0|1,0,0]=2 7239 B11R0.148 CC(C)CCCCCSCC=O 62a_200015260668_100000210682 [0,1,0,0,0,0|1,0,0]=2 7240 B11R0.148 CC(C)CCCCCSCCF 62a_100000210682_100011217306 [0,1,0,0,0,0|2,0,1]=4 7241 B11R0.148 CC(C)CCCCCSCCF 62a_100011217306_100000210682 [0,1,0,0,0,0|2,0,1]=4 7242 B11R0.148 CC(C)CCCCCSCCO 62a_100000210682_100000211926 [0,1,0,0,0,0|1,0,2]=4 7243 B11R0.148 CC(C)CCCCCSCCO 62a_100000211926_100000210682 [0,1,0,0,0,0|1,0,2]=4 7244 B11R0.148 CC(C)CCCCNCCCF 2230a_100015189416_100011216152 [0,1,0,0,0,0|2,0,1]=4 7245 B11R0.148 CC(C)CCCCNCCCF 34a_100015189416_100011216152 [0,1,0,0,0,0|2,0,1]=4 7246 B11R0.148 CC(C)CCCCOCCC#N 7a_100011214890_100000184422 [0,1,0,0,0,0|2,0,1]=4 7247 B11R0.148 CC(C)CCCCOCCCBr 34a_100011217188_100011216152 [0,1,0,0,0,0|2,0,1]=4 7248 B11R0.148 CC(C)CCCCOCCCCl 34a_100000230001_100011216152 [0,1,0,0,0,0|2,0,1]=4 7249 B11R0.148 CC(C)CCCCOCCCF 34a_100000759539_100011216152 [0,1,0,0,0,0|2,0,1]=4 7250 B11R0.148 CC(C)CCCCOCCCF 34a_100011214890_100011934791 [0,1,0,0,0,0|2,0,1]=4 7251 B11R0.148 CC(C)CCCCOCCCF 7a_100011214890_100011934791 [0,1,0,0,0,0|2,0,1]=4 7252 B11R0.148 CC(C)CCCCOCCCN 34a_100000182051_100011216152 [0,1,0,0,0,0|2,0,1]=4 7253 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [0,1,0,0,0,0|1,0,2]=4 7254 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [0,1,0,0,0,0|1,0,2]=4 7255 B11R0.148 CC(C)CCCCOCCON 34a_100000700252_100011216152 [0,1,0,0,0,0|3,0,0]=4 7256 B11R0.148 CC(C)CCCCSCCC#N 62a_100011215226_100011216152 [0,1,0,0,0,0|2,0,1]=4 7257 B11R0.148 CC(C)CCCCSCCC#N 62a_100011216152_100011215226 [0,1,0,0,0,0|2,0,1]=4 7258 B11R0.148 CC(C)CCCCSCCCF 62a_100011216152_100011934791 [0,1,0,0,0,0|2,0,1]=4 7259 B11R0.148 CC(C)CCCCSCCCF 62a_100011934791_100011216152 [0,1,0,0,0,0|2,0,1]=4 7260 B11R0.148 CC(C)CCCCSCCCO 62a_100011215043_100011216152 [0,1,0,0,0,0|1,0,2]=4 7261 B11R0.148 CC(C)CCCCSCCCO 62a_100011216152_100011215043 [0,1,0,0,0,0|1,0,2]=4 7262 B11R0.148 CC(C)CCCNCCCC#N 2230a_200000737386_100000687738 [0,1,0,0,0,0|2,0,1]=4 7263 B11R0.148 CC(C)CCCNCCCC=O 2230a_200000737386_200011292268 [0,1,0,0,0,0|1,0,0]=2 7264 B11R0.148 CC(C)CCCNCCCCF 2230a_200000737386_100000729493 [0,1,0,0,0,0|2,0,1]=4 7265 B11R0.148 CC(C)CCCNCCCCF 34a_200000737386_100000729493 [0,1,0,0,0,0|2,0,1]=4 7266 B11R0.148 CC(C)CCCNCCCCO 2230a_100000750430_100011214892 [0,1,0,0,0,0|1,0,2]=4 7267 B11R0.148 CC(C)CCCNCCCCO 2230a_200000737386_100000210776 [0,1,0,0,0,0|1,0,2]=4 7268 B11R0.148 CC(C)CCCNCCCCO 34a_100000750430_100011214892 [0,1,0,0,0,0|1,0,2]=4 7269 B11R0.148 CC(C)CCCNCCCCO 34a_200000737386_100011216708 [0,1,0,0,0,0|1,0,2]=4 7270 B11R0.148 CC(C)CCCOCCCC#N 7a_100000210774_100000687738 [0,1,0,0,0,0|2,0,1]=4 7271 B11R0.148 CC(C)CCCOCCCC=O 7a_100000210774_200011292268 [0,1,0,0,0,0|1,0,0]=2 7272 B11R0.148 CC(C)CCCOCCCCBr 34a_100011216708_100011214892 [0,1,0,0,0,0|2,0,1]=4 7273 B11R0.148 CC(C)CCCOCCCCCl 34a_100000210776_100011214892 [0,1,0,0,0,0|2,0,1]=4 7274 B11R0.148 CC(C)CCCOCCCCCl 7a_100000210776_100011214892 [0,1,0,0,0,0|2,0,1]=4 7275 B11R0.148 CC(C)CCCOCCCCF 34a_100000210774_100000729493 [0,1,0,0,0,0|2,0,1]=4 7276 B11R0.148 CC(C)CCCOCCCCF 34a_100011995726_100011214892 [0,1,0,0,0,0|2,0,1]=4 7277 B11R0.148 CC(C)CCCOCCCCF 7a_100000210774_100000729493 [0,1,0,0,0,0|2,0,1]=4 7278 B11R0.148 CC(C)CCCOCCCCF 7a_100011995726_100011214892 [0,1,0,0,0,0|2,0,1]=4 7279 B11R0.148 CC(C)CCCOCCCCI 34a_200012148704_100011214892 [0,1,0,0,0,0|2,0,1]=4 7280 B11R0.148 CC(C)CCCOCCCCN 34a_100000750430_100011214892 [0,1,0,0,0,0|2,0,1]=4 7281 B11R0.148 CC(C)CCCOCCCCO 34a_100000210774_100011216708 [0,1,0,0,0,0|1,0,2]=4 7282 B11R0.148 CC(C)CCCOCCCCO 7a_100000210774_100000210776 [0,1,0,0,0,0|1,0,2]=4 7283 B11R0.148 CC(C)CCCSCCCC#N 62a_100000687738_100011214892 [0,1,0,0,0,0|2,0,1]=4 7284 B11R0.148 CC(C)CCCSCCCC#N 62a_100011214892_100000687738 [0,1,0,0,0,0|2,0,1]=4 7285 B11R0.148 CC(C)CCCSCCCC=O 62a_100011214892_200011292268 [0,1,0,0,0,0|1,0,0]=2 7286 B11R0.148 CC(C)CCCSCCCC=O 62a_200011292268_100011214892 [0,1,0,0,0,0|1,0,0]=2 7287 B11R0.148 CC(C)CCCSCCCCF 62a_100000729493_100011214892 [0,1,0,0,0,0|2,0,1]=4 7288 B11R0.148 CC(C)CCCSCCCCF 62a_100011214892_100000729493 [0,1,0,0,0,0|2,0,1]=4 7289 B11R0.148 CC(C)CCCSCCCCO 62a_100000210776_100011214892 [0,1,0,0,0,0|1,0,2]=4 7290 B11R0.148 CC(C)CCCSCCCCO 62a_100011214892_100000210776 [0,1,0,0,0,0|1,0,2]=4 7291 B11R0.148 CC(C)CCNCCCCCO 2230a_100000762737_100000210312 [0,1,0,0,0,0|1,0,2]=4 7292 B11R0.148 CC(C)CCNCCCCCO 269862a_100000762737_100000185833 [0,1,0,0,0,0|1,0,2]=4 7293 B11R0.148 CC(C)CCNCCCCCO 34a_100000762737_100000210312 [0,1,0,0,0,0|1,0,2]=4 7294 B11R0.148 CC(C)CCOCCCCC#N 7a_100000210254_100000211819 [0,1,0,0,0,0|2,0,1]=4 7295 B11R0.148 CC(C)CCOCCCCC=O 7a_100000210254_100000139335 [0,1,0,0,0,0|1,0,0]=2 7296 B11R0.148 CC(C)CCOCCCCCBr 34a_100000746331_100000210312 [0,1,0,0,0,0|2,0,1]=4 7297 B11R0.148 CC(C)CCOCCCCCBr 7a_100000746331_100000210626 [0,1,0,0,0,0|2,0,1]=4 7298 B11R0.148 CC(C)CCOCCCCCCl 34a_100000746330_100000210312 [0,1,0,0,0,0|2,0,1]=4 7299 B11R0.148 CC(C)CCOCCCCCCl 7a_100000746330_100000210626 [0,1,0,0,0,0|2,0,1]=4 7300 B11R0.148 CC(C)CCOCCCCCF 34a_100000210254_100000729378 [0,1,0,0,0,0|2,0,1]=4 7301 B11R0.148 CC(C)CCOCCCCCF 7a_100000210254_100000729378 [0,1,0,0,0,0|2,0,1]=4 7302 B11R0.148 CC(C)CCOCCCCCI 34a_200012148887_100000210312 [0,1,0,0,0,0|2,0,1]=4 7303 B11R0.148 CC(C)CCOCCCCCI 7a_200012148887_100000210626 [0,1,0,0,0,0|2,0,1]=4 7304 B11R0.148 CC(C)CCOCCCCCN 34a_100000762737_100000210312 [0,1,0,0,0,0|2,0,1]=4 7305 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [0,1,0,0,0,0|1,0,2]=4 7306 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [0,1,0,0,0,0|1,0,2]=4 7307 B11R0.148 CC(C)CCSCCCCC#N 62a_100000210312_100000211819 [0,1,0,0,0,0|2,0,1]=4 7308 B11R0.148 CC(C)CCSCCCCC#N 62a_100011219923_100000210312 [0,1,0,0,0,0|2,0,1]=4 7309 B11R0.148 CC(C)CCSCCCCC=O 62a_100000139335_100000210312 [0,1,0,0,0,0|1,0,0]=2 7310 B11R0.148 CC(C)CCSCCCCC=O 62a_100000210312_100000139335 [0,1,0,0,0,0|1,0,0]=2 7311 B11R0.148 CC(C)CCSCCCCCF 62a_100000210312_100000729378 [0,1,0,0,0,0|2,0,1]=4 7312 B11R0.148 CC(C)CCSCCCCCF 62a_100000729378_100000210312 [0,1,0,0,0,0|2,0,1]=4 7313 B11R0.148 CC(C)CCSCCCCCO 62a_100000210312_100000746330 [0,1,0,0,0,0|1,0,2]=4 7314 B11R0.148 CC(C)CCSCCCCCO 62a_100000746330_100000210312 [0,1,0,0,0,0|1,0,2]=4 7315 B11R0.148 CC(C)CNCCCCCC#N 2230a_100000210953_100009813376 [0,1,0,0,0,0|2,0,1]=4 7316 B11R0.148 CC(C)CNCCCCCC#N 270004a_100000061152_100000210432 [0,1,0,0,0,0|2,0,1]=4 7317 B11R0.148 CC(C)CNCCCCCC=O 2230a_100000210953_100000139337 [0,1,0,0,0,0|1,0,0]=2 7318 B11R0.148 CC(C)CNCCCCCCF 2230a_100000210953_100015922095 [0,1,0,0,0,0|2,0,1]=4 7319 B11R0.148 CC(C)CNCCCCCCF 34a_100000210953_100015922095 [0,1,0,0,0,0|2,0,1]=4 7320 B11R0.148 CC(C)CNCCCCCCO 2230a_100000210953_100000766143 [0,1,0,0,0,0|1,0,2]=4 7321 B11R0.148 CC(C)CNCCCCCCO 2230a_100000686447_100000210760 [0,1,0,0,0,0|1,0,2]=4 7322 B11R0.148 CC(C)CNCCCCCCO 270004a_100000686447_100000210432 [0,1,0,0,0,0|1,0,2]=4 7323 B11R0.148 CC(C)CNCCCCCCO 34a_100000210953_100000766143 [0,1,0,0,0,0|1,0,2]=4 7324 B11R0.148 CC(C)CNCCCCCCO 34a_100000686447_100000210624 [0,1,0,0,0,0|1,0,2]=4 7325 B11R0.148 CC(C)COCCCCCCBr 34a_100011215345_100000210624 [0,1,0,0,0,0|2,0,1]=4 7326 B11R0.148 CC(C)COCCCCCCBr 7a_100011215345_100000210760 [0,1,0,0,0,0|2,0,1]=4 7327 B11R0.148 CC(C)COCCCCCCCl 34a_100000766143_100000210624 [0,1,0,0,0,0|2,0,1]=4 7328 B11R0.148 CC(C)COCCCCCCCl 7a_100000766143_100000210760 [0,1,0,0,0,0|2,0,1]=4 7329 B11R0.148 CC(C)COCCCCCCF 34a_100000210257_100015922095 [0,1,0,0,0,0|2,0,1]=4 7330 B11R0.148 CC(C)COCCCCCCF 34a_100000732779_100000210624 [0,1,0,0,0,0|2,0,1]=4 7331 B11R0.148 CC(C)COCCCCCCF 7a_100000732779_100000210760 [0,1,0,0,0,0|2,0,1]=4 7332 B11R0.148 CC(C)COCCCCCCN 34a_100000686447_100000210624 [0,1,0,0,0,0|2,0,1]=4 7333 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [0,1,0,0,0,0|1,0,2]=4 7334 B11R0.148 CC(C)COCCCNCC=O 2230a_100000205972_200015260668 [0,1,0,0,0,0|2,0,0]=3 7335 B11R0.148 CC(C)COCCCNCC=O 34a_100000205972_200009817547 [0,1,0,0,0,0|2,0,0]=3 7336 B11R0.148 CC(C)CSCCCCCC#N 62a_100000210624_100009813376 [0,1,0,0,0,0|2,0,1]=4 7337 B11R0.148 CC(C)CSCCCCCC#N 62a_100009813376_100000210760 [0,1,0,0,0,0|2,0,1]=4 7338 B11R0.148 CC(C)CSCCCCCC=O 62a_100000139337_100000210760 [0,1,0,0,0,0|1,0,0]=2 7339 B11R0.148 CC(C)CSCCCCCC=O 62a_100000210624_100000139337 [0,1,0,0,0,0|1,0,0]=2 7340 B11R0.148 CC(C)CSCCCCCCF 62a_100000210624_100015922095 [0,1,0,0,0,0|2,0,1]=4 7341 B11R0.148 CC(C)CSCCCCCCF 62a_100015922095_100000210760 [0,1,0,0,0,0|2,0,1]=4 7342 B11R0.148 CC(C)CSCCCCCCO 62a_100000210624_100000766143 [0,1,0,0,0,0|1,0,2]=4 7343 B11R0.148 CC(C)CSCCCCCCO 62a_100000766143_100000210760 [0,1,0,0,0,0|1,0,2]=4 7344 B11R0.148 CC(C)NCCCCCCC#N 2230a_100138425928_100009813337 [0,1,0,0,0,0|2,0,1]=4 7345 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [0,1,0,0,0,0|1,0,2]=4 7346 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [0,1,0,0,0,0|1,0,2]=4 7347 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [0,1,0,0,0,0|1,0,2]=4 7348 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [0,1,0,0,0,0|1,0,2]=4 7349 B11R0.148 CC(C)NCCCCOCC=O 34a_100011521146_200009817547 [0,1,0,0,0,0|2,0,0]=3 7350 B11R0.148 CC(C)OCCCCCCCBr 34a_100000760002_100000210206 [0,1,0,0,0,0|2,0,1]=4 7351 B11R0.148 CC(C)OCCCCCCCBr 7a_100000760002_100000210206 [0,1,0,0,0,0|2,0,1]=4 7352 B11R0.148 CC(C)OCCCCCCCN 34a_100011996573_100000210206 [0,1,0,0,0,0|2,0,1]=4 7353 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [0,1,0,0,0,0|1,0,2]=4 7354 B11R0.148 CC(C)OCCNCCCC=O 2230a_100000701111_200011292268 [0,1,0,0,0,0|2,0,0]=3 7355 B11R0.148 CC(C)OCCOCCCC=O 7a_100000211219_200011292268 [0,1,0,0,0,0|2,0,0]=3 7356 B11R0.148 CC(C)OCCSCCCC=O 62a_100000211751_200011292268 [0,1,0,0,0,0|2,0,0]=3 7357 B11R0.148 CC(C)OCCSCCCC=O 62a_200011292268_100000211751 [0,1,0,0,0,0|2,0,0]=3 7358 B11R0.148 CC(C)OCSCCCCC=O 62a_100000139335_100000709892 [0,1,0,0,0,0|2,0,0]=3 7359 B11R0.148 CC(C)OCSCCCCC=O 62a_100000709892_100000139335 [0,1,0,0,0,0|2,0,0]=3 7360 B11R0.148 CC(C)SCCCCCCC#N 62a_100000210206_100009813337 [0,1,0,0,0,0|2,0,1]=4 7361 B11R0.148 CC(C)SCCCCCCC#N 62a_100009813337_100000210206 [0,1,0,0,0,0|2,0,1]=4 7362 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [0,1,0,0,0,0|1,0,2]=4 7363 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [0,1,0,0,0,0|1,0,2]=4 7364 B11R0.148 CC(C)SCCNCCCC=O 2230a_100000731138_200011292268 [0,1,0,0,0,0|2,0,0]=3 7365 B11R0.148 CC(C)SCCOCCCC=O 7a_200011212901_200011292268 [0,1,0,0,0,0|2,0,0]=3 7366 B11R0.148 CC(C)SCCSCCCC=O 62a_100000730970_200011292268 [0,1,0,0,0,0|2,0,0]=3 7367 B11R0.148 CC(C)SCCSCCCC=O 62a_200011292268_100000730970 [0,1,0,0,0,0|2,0,0]=3 7368 B11R0.148 CC(F)COCCCCCCF 34a_100015925927_100015922095 [0,1,0,0,0,0|2,0,1]=4 7369 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [0,1,0,0,0,0|1,0,2]=4 7370 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [0,1,0,0,0,0|1,0,2]=4 7371 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [0,1,0,0,0,0|1,0,2]=4 7372 B11R0.148 CC(O)CCCOCCCCBr 34a_100011216708_200000718107 [0,1,0,0,0,0|2,0,1]=4 7373 B11R0.148 CC(O)CCCOCCCCCl 34a_100000210776_200000718107 [0,1,0,0,0,0|2,0,1]=4 7374 B11R0.148 CC(O)CCCOCCCCCl 7a_100000210776_200000718107 [0,1,0,0,0,0|2,0,1]=4 7375 B11R0.148 CC(O)CCCOCCCCF 34a_100011995726_200000718107 [0,1,0,0,0,0|2,0,1]=4 7376 B11R0.148 CC(O)CCCOCCCCF 7a_100011995726_200000718107 [0,1,0,0,0,0|2,0,1]=4 7377 B11R0.148 CC(O)CCCOCCCCI 34a_200012148704_200000718107 [0,1,0,0,0,0|2,0,1]=4 7378 B11R0.148 CC(O)CCCOCCCCN 34a_100000750430_200000718107 [0,1,0,0,0,0|2,0,1]=4 7379 B11R0.148 CC(O)CCCSCCCC#N 62a_100000687738_200000718107 [0,1,0,0,0,0|2,0,1]=4 7380 B11R0.148 CC(O)CCCSCCCC#N 62a_200000718107_100000687738 [0,1,0,0,0,0|2,0,1]=4 7381 B11R0.148 CC(O)CCCSCCCC=O 62a_200000718107_200011292268 [0,1,0,0,0,0|1,0,0]=2 7382 B11R0.148 CC(O)CCCSCCCC=O 62a_200011292268_200000718107 [0,1,0,0,0,0|1,0,0]=2 7383 B11R0.148 CC(O)CCCSCCCCF 62a_100000729493_200000718107 [0,1,0,0,0,0|2,0,1]=4 7384 B11R0.148 CC(O)CCCSCCCCF 62a_200000718107_100000729493 [0,1,0,0,0,0|2,0,1]=4 7385 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [0,1,0,0,0,0|1,0,2]=4 7386 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [0,1,0,0,0,0|1,0,2]=4 7387 B11R0.148 CC(O)CCNCCCCC#N 2230a_200000755665_100000211819 [0,1,0,0,0,0|2,0,1]=4 7388 B11R0.148 CC(O)CCNCCCCC=O 2230a_200000755665_100000139335 [0,1,0,0,0,0|1,0,0]=2 7389 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [0,1,0,0,0,0|2,0,1]=4 7390 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [0,1,0,0,0,0|1,0,2]=4 7391 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [0,1,0,0,0,0|1,0,2]=4 7392 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [0,1,0,0,0,0|1,0,2]=4 7393 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [0,1,0,0,0,0|2,0,1]=4 7394 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [0,1,0,0,0,0|2,0,1]=4 7395 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [0,1,0,0,0,0|2,0,1]=4 7396 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [0,1,0,0,0,0|2,0,1]=4 7397 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [0,1,0,0,0,0|2,0,1]=4 7398 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [0,1,0,0,0,0|2,0,1]=4 7399 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [0,1,0,0,0,0|2,0,1]=4 7400 B11R0.148 CC(O)CCSCCCCC#N 62a_100011219923_100012276601 [0,1,0,0,0,0|2,0,1]=4 7401 B11R0.148 CC(O)CCSCCCCC#N 62a_100012276601_100000211819 [0,1,0,0,0,0|2,0,1]=4 7402 B11R0.148 CC(O)CCSCCCCC=O 62a_100000139335_100012276601 [0,1,0,0,0,0|1,0,0]=2 7403 B11R0.148 CC(O)CCSCCCCC=O 62a_100012276601_100000139335 [0,1,0,0,0,0|1,0,0]=2 7404 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [0,1,0,0,0,0|2,0,1]=4 7405 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [0,1,0,0,0,0|2,0,1]=4 7406 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [0,1,0,0,0,0|1,0,2]=4 7407 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [0,1,0,0,0,0|1,0,2]=4 7408 B11R0.148 CC(O)CNCCCCCC#N 2230a_100000210904_100009813376 [0,1,0,0,0,0|2,0,1]=4 7409 B11R0.148 CC(O)CNCCCCCC=O 2230a_100000210904_100000139337 [0,1,0,0,0,0|1,0,0]=2 7410 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [0,1,0,0,0,0|2,0,1]=4 7411 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [0,1,0,0,0,0|2,0,1]=4 7412 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [0,1,0,0,0,0|1,0,2]=4 7413 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [0,1,0,0,0,0|1,0,2]=4 7414 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [0,1,0,0,0,0|1,0,2]=4 7415 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [0,1,0,0,0,0|1,0,2]=4 7416 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [0,1,0,0,0,0|2,0,1]=4 7417 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [0,1,0,0,0,0|2,0,1]=4 7418 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [0,1,0,0,0,0|2,0,1]=4 7419 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [0,1,0,0,0,0|2,0,1]=4 7420 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [0,1,0,0,0,0|2,0,1]=4 7421 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [0,1,0,0,0,0|2,0,1]=4 7422 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [0,1,0,0,0,0|2,0,1]=4 7423 B11R0.148 CC(O)CSCCCCCC#N 62a_100009813376_100011218427 [0,1,0,0,0,0|2,0,1]=4 7424 B11R0.148 CC(O)CSCCCCCC#N 62a_100011218427_100009813376 [0,1,0,0,0,0|2,0,1]=4 7425 B11R0.148 CC(O)CSCCCCCC=O 62a_100000139337_100011218427 [0,1,0,0,0,0|1,0,0]=2 7426 B11R0.148 CC(O)CSCCCCCC=O 62a_100011218427_100000139337 [0,1,0,0,0,0|1,0,0]=2 7427 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [0,1,0,0,0,0|2,0,1]=4 7428 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [0,1,0,0,0,0|2,0,1]=4 7429 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [0,1,0,0,0,0|1,0,2]=4 7430 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [0,1,0,0,0,0|1,0,2]=4 7431 B11R0.148 CC/C=C/CCCOCC(=O)N 34a_100016287902_100000187820 [0,1,0,0,0,0|1,0,2]=4 7432 B11R0.148 CC/C=C/CCCOCC(=O)N 7a_100016287902_100000187820 [0,1,0,0,0,0|1,0,2]=4 7433 B11R0.148 CC/C=C/CCCOCC(=O)[O-] 34a_100016287902_100020667443 [0,1,0,0,0,0|1,0,2]=4 7434 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,1,0,0,0,0|1,0,2]=4 7435 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,1,0,0,0,0|1,0,2]=4 7436 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,1,0,0,0,0|1,0,2]=4 7437 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100000757172_100015370543 [0,1,0,0,0,0|1,0,2]=4 7438 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100016288707_100000731001 [0,1,0,0,0,0|1,0,2]=4 7439 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100000757172_100015370543 [0,1,0,0,0,0|1,0,2]=4 7440 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100016288707_100000744528 [0,1,0,0,0,0|1,0,2]=4 7441 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100000053229_100015370543 [0,1,0,0,0,0|1,0,2]=4 7442 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100015370543_100000053229 [0,1,0,0,0,0|1,0,2]=4 7443 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100000744528_100015370543 [0,1,0,0,0,0|1,0,2]=4 7444 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100015370543_100000744528 [0,1,0,0,0,0|1,0,2]=4 7445 B11R0.148 CC/C=C\CNCCCC(=O)N 34a_100000739312_100103147603 [0,1,0,0,0,0|1,0,2]=4 7446 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [0,1,0,0,0,0|1,0,2]=4 7447 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [0,1,0,0,0,0|1,0,2]=4 7448 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [0,1,0,0,0,0|1,0,2]=4 7449 B11R0.148 CC/C=C\COCCCC(=O)N 34a_100016268518_100102525003 [0,1,0,0,0,0|1,0,2]=4 7450 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100011215641_100103147603 [0,1,0,0,0,0|1,0,2]=4 7451 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100103147603_100011215641 [0,1,0,0,0,0|1,0,2]=4 7452 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100102525003_100103147603 [0,1,0,0,0,0|1,0,2]=4 7453 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100103147603_100102525003 [0,1,0,0,0,0|1,0,2]=4 7454 B11R0.148 CC=CCCCOCCC(=O)N 34a_100020645299_100000731001 [0,1,0,0,0,0|1,0,2]=4 7455 B11R0.148 CC=CCCCOCCC(C)C 34a_100020645299_100000210312 [0,1,0,0,0,0|2,0,1]=4 7456 B11R0.148 CC=CCCCOCCC(C)O 34a_100020645299_100012276601 [0,1,0,0,0,0|2,0,1]=4 7457 B11R0.148 CC=CCNCCCCC(=O)N 34a_100000696515_100000070051 [0,1,0,0,0,0|1,0,2]=4 7458 B11R0.148 CC=CCOCCCCC(=O)N 34a_100012022536_100000070051 [0,1,0,0,0,0|1,0,2]=4 7459 B11R0.148 CC=CCOCCCCC(=O)N 7a_100012022536_100000070051 [0,1,0,0,0,0|1,0,2]=4 7460 B11R0.148 CC=CCOCCCCC(C)C 34a_100011214890_100000070051 [0,1,0,0,0,0|2,0,1]=4 7461 B11R0.148 CC=CCOCCCCC(C)C 7a_100011214890_100000070051 [0,1,0,0,0,0|2,0,1]=4 7462 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [0,1,0,0,0,0|1,0,2]=4 7463 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [0,1,0,0,0,0|1,0,2]=4 7464 B11R0.148 CC=CCSCCCCC(C)C 62a_100000070051_100011216152 [0,1,0,0,0,0|2,0,1]=4 7465 B11R0.148 CC=CCSCCCCC(C)C 62a_100011216152_100000070051 [0,1,0,0,0,0|2,0,1]=4 7466 B11R0.148 CCC#CCCOCCC(=O)C 7a_100000036655_100000053229 [0,1,0,0,0,0|1,0,2]=4 7467 B11R0.148 CCC#CCCOCCC(=O)N 34a_100000036655_100000731001 [0,1,0,0,0,0|1,0,2]=4 7468 B11R0.148 CCC#CCCOCCC(=O)N 7a_100000036655_100000744528 [0,1,0,0,0,0|1,0,2]=4 7469 B11R0.148 CCC#CCNCCCC(=O)N 34a_100000739312_100009813939 [0,1,0,0,0,0|1,0,2]=4 7470 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000032950_100000685027 [0,1,0,0,0,0|1,0,2]=4 7471 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000759063_100009813939 [0,1,0,0,0,0|1,0,2]=4 7472 B11R0.148 CCC#CCOCCCC(=O)C 7a_100000759063_100009813939 [0,1,0,0,0,0|1,0,2]=4 7473 B11R0.148 CCC#CCOCCCC(=O)N 34a_100000032950_100102525003 [0,1,0,0,0,0|1,0,2]=4 7474 B11R0.148 CCC#CCSCCCC(=O)C 62a_100009813939_100011215641 [0,1,0,0,0,0|1,0,2]=4 7475 B11R0.148 CCC#CCSCCCC(=O)C 62a_100011215641_100009813939 [0,1,0,0,0,0|1,0,2]=4 7476 B11R0.148 CCC#CCSCCCC(=O)N 62a_100009813939_100102525003 [0,1,0,0,0,0|1,0,2]=4 7477 B11R0.148 CCC#CCSCCCC(=O)N 62a_100102525003_100009813939 [0,1,0,0,0,0|1,0,2]=4 7478 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [0,1,0,0,0,0|1,0,2]=4 7479 B11R0.148 CCC/C=C/COCCC(=O)N 34a_100016278788_100000731001 [0,1,0,0,0,0|1,0,2]=4 7480 B11R0.148 CCC/C=C/COCCC(=O)N 7a_100016278788_100000744528 [0,1,0,0,0,0|1,0,2]=4 7481 B11R0.148 CCCC#CCCOCC(=O)N 34a_100000042726_100000187820 [0,1,0,0,0,0|1,0,2]=4 7482 B11R0.148 CCCC#CCCOCC(=O)N 7a_100000042726_100000187820 [0,1,0,0,0,0|1,0,2]=4 7483 B11R0.148 CCCC#CCCOCC(=O)[O-] 34a_100000042726_100020667443 [0,1,0,0,0,0|1,0,2]=4 7484 B11R0.148 CCCC#CCOCCC(=O)C 7a_100000034806_100000053229 [0,1,0,0,0,0|1,0,2]=4 7485 B11R0.148 CCCC#CCOCCC(=O)N 34a_100000034806_100000731001 [0,1,0,0,0,0|1,0,2]=4 7486 B11R0.148 CCCC#CCOCCC(=O)N 7a_100000034806_100000744528 [0,1,0,0,0,0|1,0,2]=4 7487 B11R0.148 CCCC/C=C/COCC(=O)N 34a_200016272032_100000187820 [0,1,0,0,0,0|1,0,2]=4 7488 B11R0.148 CCCC/C=C/COCC(=O)N 7a_200016272032_100000187820 [0,1,0,0,0,0|1,0,2]=4 7489 B11R0.148 CCCC/C=C/COCC(=O)[O-] 34a_200016272032_100020667443 [0,1,0,0,0,0|1,0,2]=4 7490 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,1,0,0,0,0|0,0,2]=3 7491 B11R0.148 CCCCC#CCOCC(=O)N 34a_200000034558_100000187820 [0,1,0,0,0,0|1,0,2]=4 7492 B11R0.148 CCCCC#CCOCC(=O)N 7a_200000034558_100000187820 [0,1,0,0,0,0|1,0,2]=4 7493 B11R0.148 CCCCC#CCOCC(=O)[O-] 34a_200000034558_100020667443 [0,1,0,0,0,0|1,0,2]=4 7494 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,1,0,0,0,0|0,0,2]=3 7495 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,1,0,0,0,0|0,0,2]=3 7496 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,1,0,0,0,0|0,0,2]=3 7497 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,1,0,0,0,0|0,0,2]=3 7498 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [0,1,0,0,0,0|2,0,1]=4 7499 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,1,0,0,0,0|0,0,2]=3 7500 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,1,0,0,0,0|0,0,2]=3 7501 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,1,0,0,0,0|0,0,0]=1 7502 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,1,0,0,0,0|0,0,0]=1 7503 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,1,0,0,0,0|0,0,0]=1 7504 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [0,1,0,0,0,0|2,0,0]=3 7505 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [0,1,0,0,0,0|2,0,0]=3 7506 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [0,1,0,0,0,0|2,0,0]=3 7507 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [0,1,0,0,0,0|2,0,0]=3 7508 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [0,1,0,0,0,0|2,0,0]=3 7509 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [0,1,0,0,0,0|2,0,0]=3 7510 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,1,0,0,0,0|1,0,0]=2 7511 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,1,0,0,0,0|1,0,0]=2 7512 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,1,0,0,0,0|1,0,0]=2 7513 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,1,0,0,0,0|1,0,0]=2 7514 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [0,1,0,0,0,0|2,0,1]=4 7515 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [0,1,0,0,0,0|2,0,1]=4 7516 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [0,1,0,0,0,0|2,0,1]=4 7517 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [0,1,0,0,0,0|2,0,1]=4 7518 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [0,1,0,0,0,0|2,0,1]=4 7519 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [0,1,0,0,0,0|2,0,1]=4 7520 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [0,1,0,0,0,0|2,0,1]=4 7521 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [0,1,0,0,0,0|2,0,1]=4 7522 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [0,1,0,0,0,0|2,0,1]=4 7523 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,1,0,0,0,0|1,0,0]=2 7524 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,1,0,0,0,0|1,0,0]=2 7525 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,1,0,0,0,0|1,0,0]=2 7526 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [0,1,0,0,0,0|2,0,1]=4 7527 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [0,1,0,0,0,0|2,0,1]=4 7528 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [0,1,0,0,0,0|2,0,1]=4 7529 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [0,1,0,0,0,0|2,0,1]=4 7530 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,1,0,0,0,0|1,0,2]=4 7531 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,1,0,0,0,0|1,0,2]=4 7532 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,1,0,0,0,0|1,0,2]=4 7533 B11R0.148 CCCCCCCNCC(F)F 2230a_100000229938_100011934356 [0,1,0,0,0,0|2,0,1]=4 7534 B11R0.148 CCCCCCCNCC(F)F 34a_100000765723_100000210614 [0,1,0,0,0,0|2,0,1]=4 7535 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,1,0,0,0,0|1,0,2]=4 7536 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,1,0,0,0,0|1,0,0]=2 7537 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,1,0,0,0,0|1,0,0]=2 7538 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,1,0,0,0,0|1,0,0]=2 7539 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,1,0,0,0,0|1,0,0]=2 7540 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [0,1,0,0,0,0|2,0,1]=4 7541 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [0,1,0,0,0,0|2,0,1]=4 7542 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [0,1,0,0,0,0|2,0,1]=4 7543 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [0,1,0,0,0,0|2,0,1]=4 7544 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [0,1,0,0,0,0|2,0,1]=4 7545 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,1,0,0,0,0|1,0,2]=4 7546 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,1,0,0,0,0|1,0,2]=4 7547 B11R0.148 CCCCCCCOCC(F)F 34a_100000210272_100011934356 [0,1,0,0,0,0|2,0,1]=4 7548 B11R0.148 CCCCCCCOCC(F)F 34a_100000743014_100000210614 [0,1,0,0,0,0|2,0,1]=4 7549 B11R0.148 CCCCCCCOCC(F)F 7a_100000210272_100011934356 [0,1,0,0,0,0|2,0,1]=4 7550 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [0,1,0,0,0,0|2,0,1]=4 7551 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [0,1,0,0,0,0|2,0,1]=4 7552 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,1,0,0,0,0|1,0,2]=4 7553 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,1,0,0,0,0|1,0,2]=4 7554 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,1,0,0,0,0|2,0,0]=3 7555 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,1,0,0,0,0|1,0,0]=2 7556 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,1,0,0,0,0|1,0,0]=2 7557 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,1,0,0,0,0|1,0,0]=2 7558 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,1,0,0,0,0|1,0,0]=2 7559 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [0,1,0,0,0,0|2,0,1]=4 7560 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [0,1,0,0,0,0|2,0,1]=4 7561 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,1,0,0,0,0|1,0,2]=4 7562 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,1,0,0,0,0|1,0,2]=4 7563 B11R0.148 CCCCCCCSCC(F)F 62a_100000210614_100011934356 [0,1,0,0,0,0|2,0,1]=4 7564 B11R0.148 CCCCCCCSCC(F)F 62a_100011934356_100000210316 [0,1,0,0,0,0|2,0,1]=4 7565 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,1,0,0,0,0|1,0,2]=4 7566 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,1,0,0,0,0|1,0,2]=4 7567 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,1,0,0,0,0|2,0,0]=3 7568 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [0,1,0,0,0,0|2,0,1]=4 7569 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [0,1,0,0,0,0|2,0,1]=4 7570 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,1,0,0,0,0|1,0,0]=2 7571 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [0,1,0,0,0,0|2,0,1]=4 7572 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [0,1,0,0,0,0|2,0,1]=4 7573 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,1,0,0,0,0|1,0,2]=4 7574 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,1,0,0,0,0|1,0,2]=4 7575 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,1,0,0,0,0|2,0,0]=3 7576 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [0,1,0,0,0,0|2,0,1]=4 7577 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [0,1,0,0,0,0|2,0,1]=4 7578 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [0,1,0,0,0,0|2,0,1]=4 7579 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,1,0,0,0,0|1,0,0]=2 7580 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,1,0,0,0,0|1,0,0]=2 7581 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,1,0,0,0,0|1,0,0]=2 7582 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,1,0,0,0,0|1,0,0]=2 7583 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,1,0,0,0,0|1,0,0]=2 7584 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,1,0,0,0,0|1,0,0]=2 7585 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,1,0,0,0,0|1,0,0]=2 7586 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [0,1,0,0,0,0|2,0,1]=4 7587 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [0,1,0,0,0,0|2,0,1]=4 7588 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [0,1,0,0,0,0|2,0,1]=4 7589 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [0,1,0,0,0,0|2,0,1]=4 7590 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [0,1,0,0,0,0|2,0,1]=4 7591 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,1,0,0,0,0|1,0,2]=4 7592 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,1,0,0,0,0|1,0,2]=4 7593 B11R0.148 CCCCCCOCCC(F)F 34a_100103093639_100000210314 [0,1,0,0,0,0|2,0,1]=4 7594 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [0,1,0,0,0,0|3,0,0]=4 7595 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [0,1,0,0,0,0|2,0,1]=4 7596 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,1,0,0,0,0|2,0,0]=3 7597 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [0,1,0,0,0,0|2,0,1]=4 7598 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [0,1,0,0,0,0|2,0,1]=4 7599 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,1,0,0,0,0|1,0,0]=2 7600 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,1,0,0,0,0|1,0,0]=2 7601 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,1,0,0,0,0|1,0,0]=2 7602 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,1,0,0,0,0|1,0,0]=2 7603 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [0,1,0,0,0,0|2,0,1]=4 7604 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [0,1,0,0,0,0|2,0,1]=4 7605 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,1,0,0,0,0|1,0,2]=4 7606 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,1,0,0,0,0|1,0,2]=4 7607 B11R0.148 CCCCCCSCCN(C)C 62a_100000210314_100000755713 [0,1,0,0,0,0|3,0,0]=4 7608 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,1,0,0,0,0|2,0,0]=3 7609 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,1,0,0,0,0|2,0,0]=3 7610 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [0,1,0,0,0,0|2,0,1]=4 7611 B11R0.148 CCCCCNCCC=C(F)F 2230a_100000209983_200009816681 [0,1,0,0,0,0|2,0,1]=4 7612 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,1,0,0,0,0|1,0,0]=2 7613 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [0,1,0,0,0,0|2,0,1]=4 7614 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [0,1,0,0,0,0|2,0,1]=4 7615 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [0,1,0,0,0,0|2,0,1]=4 7616 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,1,0,0,0,0|1,0,2]=4 7617 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,1,0,0,0,0|2,0,0]=3 7618 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,1,0,0,0,0|2,0,0]=3 7619 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,1,0,0,0,0|2,0,0]=3 7620 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [0,1,0,0,0,0|2,0,0]=3 7621 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [0,1,0,0,0,0|2,0,0]=3 7622 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [0,1,0,0,0,0|2,0,1]=4 7623 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [0,1,0,0,0,0|2,0,1]=4 7624 B11R0.148 CCCCCOCCC=C(F)F 34a_100000210253_200009816681 [0,1,0,0,0,0|2,0,1]=4 7625 B11R0.148 CCCCCOCCC=C(F)F 7a_100000210253_200009816681 [0,1,0,0,0,0|2,0,1]=4 7626 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,1,0,0,0,0|1,0,0]=2 7627 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,1,0,0,0,0|1,0,0]=2 7628 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,1,0,0,0,0|1,0,0]=2 7629 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,1,0,0,0,0|1,0,0]=2 7630 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,1,0,0,0,0|1,0,0]=2 7631 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,1,0,0,0,0|1,0,0]=2 7632 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [0,1,0,0,0,0|2,0,1]=4 7633 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [0,1,0,0,0,0|2,0,1]=4 7634 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [0,1,0,0,0,0|2,0,1]=4 7635 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [0,1,0,0,0,0|2,0,1]=4 7636 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,1,0,0,0,0|1,0,2]=4 7637 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,1,0,0,0,0|1,0,2]=4 7638 B11R0.148 CCCCCOCCCN(C)C 7a_100000210253_100000757444 [0,1,0,0,0,0|3,0,0]=4 7639 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,1,0,0,0,0|2,0,0]=3 7640 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,1,0,0,0,0|2,0,0]=3 7641 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,1,0,0,0,0|2,0,0]=3 7642 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,1,0,0,0,0|2,0,0]=3 7643 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,1,0,0,0,0|2,0,0]=3 7644 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,1,0,0,0,0|2,0,0]=3 7645 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,1,0,0,0,0|2,0,0]=3 7646 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,1,0,0,0,0|2,0,0]=3 7647 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,1,0,0,0,0|2,0,0]=3 7648 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,1,0,0,0,0|2,0,0]=3 7649 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [0,1,0,0,0,0|2,0,1]=4 7650 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [0,1,0,0,0,0|2,0,1]=4 7651 B11R0.148 CCCCCSCCC=C(F)F 62a_100000210326_200009816681 [0,1,0,0,0,0|2,0,1]=4 7652 B11R0.148 CCCCCSCCC=C(F)F 62a_200009816681_100000210326 [0,1,0,0,0,0|2,0,1]=4 7653 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,1,0,0,0,0|1,0,0]=2 7654 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,1,0,0,0,0|1,0,0]=2 7655 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,1,0,0,0,0|1,0,0]=2 7656 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,1,0,0,0,0|1,0,0]=2 7657 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [0,1,0,0,0,0|2,0,1]=4 7658 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [0,1,0,0,0,0|2,0,1]=4 7659 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,1,0,0,0,0|1,0,2]=4 7660 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,1,0,0,0,0|1,0,2]=4 7661 B11R0.148 CCCCCSCCCN(C)C 62a_100000210326_100000757444 [0,1,0,0,0,0|3,0,0]=4 7662 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,1,0,0,0,0|2,0,0]=3 7663 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,1,0,0,0,0|2,0,0]=3 7664 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [0,1,0,0,0,0|2,0,0]=3 7665 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [0,1,0,0,0,0|2,0,0]=3 7666 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,1,0,0,0,0|2,0,0]=3 7667 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,1,0,0,0,0|2,0,0]=3 7668 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [0,1,0,0,0,0|2,0,0]=3 7669 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [0,1,0,0,0,0|2,0,0]=3 7670 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [0,1,0,0,0,0|2,0,1]=4 7671 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [0,1,0,0,0,0|2,0,1]=4 7672 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,1,0,0,0,0|1,0,0]=2 7673 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,1,0,0,0,0|1,0,0]=2 7674 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [0,1,0,0,0,0|2,0,1]=4 7675 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [0,1,0,0,0,0|2,0,1]=4 7676 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,1,0,0,0,0|2,0,0]=3 7677 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,1,0,0,0,0|2,0,0]=3 7678 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [0,1,0,0,0,0|2,1,0]=4 7679 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [0,1,0,0,0,0|2,1,0]=4 7680 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,1,0,0,0,0|2,0,0]=3 7681 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,1,0,0,0,0|2,0,0]=3 7682 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [0,1,0,0,0,0|2,0,0]=3 7683 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [0,1,0,0,0,0|2,0,0]=3 7684 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,1,0,0,0,0|2,0,0]=3 7685 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [0,1,0,0,0,0|2,0,1]=4 7686 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [0,1,0,0,0,0|2,0,1]=4 7687 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,1,0,0,0,0|1,0,0]=2 7688 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,1,0,0,0,0|1,0,0]=2 7689 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,1,0,0,0,0|1,0,0]=2 7690 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,1,0,0,0,0|1,0,0]=2 7691 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [0,1,0,0,0,0|2,0,1]=4 7692 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [0,1,0,0,0,0|2,0,1]=4 7693 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [0,1,0,0,0,0|2,0,1]=4 7694 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [0,1,0,0,0,0|2,0,1]=4 7695 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,1,0,0,0,0|2,0,0]=3 7696 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,1,0,0,0,0|2,0,0]=3 7697 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,1,0,0,0,0|2,0,0]=3 7698 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,1,0,0,0,0|2,0,0]=3 7699 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,1,0,0,0,0|2,0,0]=3 7700 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,1,0,0,0,0|2,0,0]=3 7701 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,1,0,0,0,0|2,0,0]=3 7702 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,1,0,0,0,0|2,0,0]=3 7703 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [0,1,0,0,0,0|2,1,0]=4 7704 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [0,1,0,0,0,0|2,1,0]=4 7705 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,1,0,0,0,0|2,0,0]=3 7706 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,1,0,0,0,0|2,0,0]=3 7707 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,1,0,0,0,0|2,0,0]=3 7708 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,1,0,0,0,0|2,0,0]=3 7709 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,1,0,0,0,0|2,0,0]=3 7710 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,1,0,0,0,0|2,0,0]=3 7711 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [0,1,0,0,0,0|2,0,0]=3 7712 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [0,1,0,0,0,0|2,0,0]=3 7713 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [0,1,0,0,0,0|2,0,0]=3 7714 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [0,1,0,0,0,0|2,0,0]=3 7715 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,1,0,0,0,0|2,0,0]=3 7716 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [0,1,0,0,0,0|2,0,0]=3 7717 B11R0.148 CCCCOCCOC[N+](=O)[O-] 34a_100000210238_100000761209 [0,1,0,0,0,0|3,0,0]=4 7718 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [0,1,0,0,0,0|2,0,0]=3 7719 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [0,1,0,0,0,0|2,0,0]=3 7720 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [0,1,0,0,0,0|2,0,0]=3 7721 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [0,1,0,0,0,0|2,0,0]=3 7722 B11R0.148 CCCCOCCSC[N+](=O)[O-] 62a_100000743108_100000761209 [0,1,0,0,0,0|3,0,0]=4 7723 B11R0.148 CCCCOCNOCC(=O)O 269956a_100000106656_100011995733 [0,1,0,0,0,0|3,0,0]=4 7724 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,1,0,0,0,0|2,0,0]=3 7725 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [0,1,0,0,0,0|2,0,0]=3 7726 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,1,0,0,0,0|2,0,0]=3 7727 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,1,0,0,0,0|2,0,0]=3 7728 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [0,1,0,0,0,0|2,0,0]=3 7729 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [0,1,0,0,0,0|2,0,0]=3 7730 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [0,1,0,0,0,0|3,0,0]=4 7731 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [0,1,0,0,0,0|3,0,0]=4 7732 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [0,1,0,0,0,0|2,0,1]=4 7733 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [0,1,0,0,0,0|2,0,1]=4 7734 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,1,0,0,0,0|1,0,0]=2 7735 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,1,0,0,0,0|1,0,0]=2 7736 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [0,1,0,0,0,0|2,0,1]=4 7737 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [0,1,0,0,0,0|2,0,1]=4 7738 B11R0.148 CCCCSCCCCN(C)C 62a_100000210211_100000690147 [0,1,0,0,0,0|3,0,0]=4 7739 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,1,0,0,0,0|2,0,0]=3 7740 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,1,0,0,0,0|2,0,0]=3 7741 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [0,1,0,0,0,0|2,1,0]=4 7742 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [0,1,0,0,0,0|2,1,0]=4 7743 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,1,0,0,0,0|2,0,0]=3 7744 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,1,0,0,0,0|2,0,0]=3 7745 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [0,1,0,0,0,0|2,0,0]=3 7746 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [0,1,0,0,0,0|2,0,0]=3 7747 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [0,1,0,0,0,0|2,0,0]=3 7748 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [0,1,0,0,0,0|2,0,0]=3 7749 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [0,1,0,0,0,0|2,0,0]=3 7750 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [0,1,0,0,0,0|2,0,0]=3 7751 B11R0.148 CCCCSCCOC[N+](=O)[O-] 34a_200000230436_100000761209 [0,1,0,0,0,0|3,0,0]=4 7752 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [0,1,0,0,0,0|2,0,1]=4 7753 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [0,1,0,0,0,0|2,0,1]=4 7754 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,1,0,0,0,0|2,0,0]=3 7755 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,1,0,0,0,0|2,0,0]=3 7756 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [0,1,0,0,0,0|2,0,1]=4 7757 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,1,0,0,0,0|1,0,0]=2 7758 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,1,0,0,0,0|1,0,0]=2 7759 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,1,0,0,0,0|1,0,0]=2 7760 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,1,0,0,0,0|1,0,0]=2 7761 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [0,1,0,0,0,0|2,0,1]=4 7762 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [0,1,0,0,0,0|2,0,1]=4 7763 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [0,1,0,0,0,0|2,0,1]=4 7764 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,1,0,0,0,0|2,0,0]=3 7765 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,1,0,0,0,0|2,0,0]=3 7766 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,1,0,0,0,0|2,0,0]=3 7767 B11R0.148 CCCOCCCCO[N+](=O)[O-] 34a_100000210258_100015694321 [0,1,0,0,0,0|3,0,0]=4 7768 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,1,0,0,0,0|2,0,0]=3 7769 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,1,0,0,0,0|2,0,0]=3 7770 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,1,0,0,0,0|2,0,0]=3 7771 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,1,0,0,0,0|2,0,0]=3 7772 B11R0.148 CCCOCCCNC[N+](=O)[O-] 34a_100011217757_100000761209 [0,1,0,0,0,0|3,0,0]=4 7773 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [0,1,0,0,0,0|2,0,0]=3 7774 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [0,1,0,0,0,0|2,0,0]=3 7775 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [0,1,0,0,0,0|3,0,0]=4 7776 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [0,1,0,0,0,0|3,0,0]=4 7777 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,1,0,0,0,0|2,0,0]=3 7778 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,1,0,0,0,0|2,0,0]=3 7779 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,1,0,0,0,0|2,0,0]=3 7780 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,1,0,0,0,0|2,0,0]=3 7781 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,1,0,0,0,0|2,0,0]=3 7782 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,1,0,0,0,0|2,0,0]=3 7783 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,1,0,0,0,0|2,0,0]=3 7784 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [0,1,0,0,0,0|3,0,0]=4 7785 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,1,0,0,0,0|2,0,0]=3 7786 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,1,0,0,0,0|2,0,0]=3 7787 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [0,1,0,0,0,0|2,0,0]=3 7788 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [0,1,0,0,0,0|2,0,0]=3 7789 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [0,1,0,0,0,0|3,0,0]=4 7790 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [0,1,0,0,0,0|3,0,0]=4 7791 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [0,1,0,0,0,0|3,0,0]=4 7792 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [0,1,0,0,0,0|2,0,1]=4 7793 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [0,1,0,0,0,0|2,0,1]=4 7794 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,1,0,0,0,0|1,0,0]=2 7795 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,1,0,0,0,0|1,0,0]=2 7796 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [0,1,0,0,0,0|2,0,1]=4 7797 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [0,1,0,0,0,0|2,0,1]=4 7798 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,1,0,0,0,0|2,0,0]=3 7799 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,1,0,0,0,0|2,0,0]=3 7800 B11R0.148 CCCSCCCCO[N+](=O)[O-] 62a_100000210303_100015694321 [0,1,0,0,0,0|3,0,0]=4 7801 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,1,0,0,0,0|2,0,0]=3 7802 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,1,0,0,0,0|2,0,0]=3 7803 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [0,1,0,0,0,0|2,0,0]=3 7804 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,1,0,0,0,0|2,0,0]=3 7805 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [0,1,0,0,0,0|2,0,0]=3 7806 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [0,1,0,0,0,0|2,0,0]=3 7807 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [0,1,0,0,0,0|3,0,0]=4 7808 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [0,1,0,0,0,0|3,0,0]=4 7809 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [0,1,0,0,0,0|3,0,0]=4 7810 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [0,1,0,0,0,0|2,0,1]=4 7811 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [0,1,0,0,0,0|2,0,1]=4 7812 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [0,1,0,0,0,0|2,0,1]=4 7813 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,1,0,0,0,0|2,0,0]=3 7814 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,1,0,0,0,0|2,0,0]=3 7815 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,1,0,0,0,0|2,0,0]=3 7816 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [0,1,0,0,0,0|3,0,0]=4 7817 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [0,1,0,0,0,0|2,0,1]=4 7818 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,1,0,0,0,0|2,0,0]=3 7819 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [0,1,0,0,0,0|2,0,0]=3 7820 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [0,1,0,0,0,0|2,0,0]=3 7821 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [0,1,0,0,0,0|3,0,0]=4 7822 B11R0.148 CCOCCCNOCC(=O)O 269956a_100000106656_100012232248 [0,1,0,0,0,0|3,0,0]=4 7823 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,1,0,0,0,0|2,0,0]=3 7824 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,1,0,0,0,0|2,0,0]=3 7825 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,1,0,0,0,0|2,0,0]=3 7826 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [0,1,0,0,0,0|2,0,0]=3 7827 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [0,1,0,0,0,0|2,0,0]=3 7828 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [0,1,0,0,0,0|2,0,0]=3 7829 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [0,1,0,0,0,0|2,0,0]=3 7830 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [0,1,0,0,0,0|3,0,0]=4 7831 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,1,0,0,0,0|2,0,0]=3 7832 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,1,0,0,0,0|2,0,0]=3 7833 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [0,1,0,0,0,0|2,0,0]=3 7834 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [0,1,0,0,0,0|2,0,0]=3 7835 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [0,1,0,0,0,0|3,0,0]=4 7836 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [0,1,0,0,0,0|3,0,0]=4 7837 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,1,0,0,0,0|2,0,0]=3 7838 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [0,1,0,0,0,0|2,0,0]=3 7839 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [0,1,0,0,0,0|2,0,0]=3 7840 B11R0.148 CCOCCNCCCS(=O)C 2230a_200000753449_100011215890 [0,1,0,0,0,0|3,0,0]=4 7841 B11R0.148 CCOCCNCCNC(=O)C 2230a_100000209853_100011215890 [0,1,0,0,0,0|3,0,0]=4 7842 B11R0.148 CCOCCNCCNC(=O)C 2230a_102516460346_100000189650 [0,1,0,0,0,0|3,0,0]=4 7843 B11R0.148 CCOCCNCCNC(=O)N 2230a_102516460346_200000034859 [0,1,0,0,0,0|3,0,0]=4 7844 B11R0.148 CCOCCNCCNC(=O)N 34a_100020590234_100000210147 [0,1,0,0,0,0|3,0,0]=4 7845 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [0,1,0,0,0,0|3,0,0]=4 7846 B11R0.148 CCOCCNCCOC(=O)N 34a_102516460346_200011214921 [0,1,0,0,0,0|3,0,0]=4 7847 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,1,0,0,0,0|2,0,0]=3 7848 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,1,0,0,0,0|2,0,0]=3 7849 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,1,0,0,0,0|2,0,0]=3 7850 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,1,0,0,0,0|2,0,0]=3 7851 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [0,1,0,0,0,0|2,0,0]=3 7852 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [0,1,0,0,0,0|2,0,0]=3 7853 B11R0.148 CCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000210147 [0,1,0,0,0,0|3,0,0]=4 7854 B11R0.148 CCOCCOCCNC(=O)C 11a_100102712874_100015343762 [0,1,0,0,0,0|3,0,0]=4 7855 B11R0.148 CCOCCOCCNC(=O)C 1626a_100102712874_100015343762 [0,1,0,0,0,0|3,0,0]=4 7856 B11R0.148 CCOCCOCCNC(=O)C 240690a_100102712874_100015343762 [0,1,0,0,0,0|3,0,0]=4 7857 B11R0.148 CCOCCOCCNC(=O)C 34a_100000158858_100000210147 [0,1,0,0,0,0|3,0,0]=4 7858 B11R0.148 CCOCCOCCNC(=O)C 527a_100102712874_100103153847 [0,1,0,0,0,0|3,0,0]=4 7859 B11R0.148 CCOCCOCCNC(=O)C 7a_100000210136_100000189650 [0,1,0,0,0,0|3,0,0]=4 7860 B11R0.148 CCOCCOCCNC(=O)N 34a_100000181757_100000210147 [0,1,0,0,0,0|3,0,0]=4 7861 B11R0.148 CCOCCOCCNC(=O)N 7a_100000210136_200000034859 [0,1,0,0,0,0|3,0,0]=4 7862 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [0,1,0,0,0,0|3,0,0]=4 7863 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [0,1,0,0,0,0|3,0,0]=4 7864 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [0,1,0,0,0,0|3,0,0]=4 7865 B11R0.148 CCOCCOCCOC(=O)N 34a_100000210136_200011214921 [0,1,0,0,0,0|3,0,0]=4 7866 B11R0.148 CCOCCOCCOC(=O)N 7a_100000210136_200011214921 [0,1,0,0,0,0|3,0,0]=4 7867 B11R0.148 CCOCCOCCOC(=O)N 7a_100000766696_100011215890 [0,1,0,0,0,0|3,0,0]=4 7868 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,1,0,0,0,0|2,0,0]=3 7869 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,1,0,0,0,0|2,0,0]=3 7870 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [0,1,0,0,0,0|2,0,0]=3 7871 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [0,1,0,0,0,0|2,0,0]=3 7872 B11R0.148 CCOCCSCCNC(=O)C 62a_100000189650_100011215890 [0,1,0,0,0,0|3,0,0]=4 7873 B11R0.148 CCOCCSCCNC(=O)C 62a_100000210147_100000189650 [0,1,0,0,0,0|3,0,0]=4 7874 B11R0.148 CCOCCSCCNC(=O)N 62a_100000210147_200000034859 [0,1,0,0,0,0|3,0,0]=4 7875 B11R0.148 CCOCCSCCNC(=O)N 62a_200000034859_100011215890 [0,1,0,0,0,0|3,0,0]=4 7876 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [0,1,0,0,0,0|3,0,0]=4 7877 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [0,1,0,0,0,0|3,0,0]=4 7878 B11R0.148 CCOCCSCCOC(=O)N 62a_100000210147_200011214921 [0,1,0,0,0,0|3,0,0]=4 7879 B11R0.148 CCOCCSCCOC(=O)N 62a_200011214921_100011215890 [0,1,0,0,0,0|3,0,0]=4 7880 B11R0.148 CCOCNCCOCC(=O)O 269956a_100000700818_100000739092 [0,1,0,0,0,0|3,0,0]=4 7881 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,1,0,0,0,0|2,0,0]=3 7882 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,1,0,0,0,0|2,0,0]=3 7883 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [0,1,0,0,0,0|3,0,0]=4 7884 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [0,1,0,0,0,0|3,0,0]=4 7885 B11R0.148 CCOCSCCCSC(=O)C 62a_100000038929_100000739092 [0,1,0,0,0,0|3,0,0]=4 7886 B11R0.148 CCOCSCCCSC(=O)C 62a_100000739092_100000038929 [0,1,0,0,0,0|3,0,0]=4 7887 B11R0.148 CCOCSCCOCC(=O)N 62a_100000076697_100000739092 [0,1,0,0,0,0|3,0,0]=4 7888 B11R0.148 CCOCSCCOCC(=O)N 62a_100000739092_100000076697 [0,1,0,0,0,0|3,0,0]=4 7889 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [0,1,0,0,0,0|2,0,1]=4 7890 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [0,1,0,0,0,0|2,0,1]=4 7891 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,1,0,0,0,0|2,0,0]=3 7892 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,1,0,0,0,0|2,0,0]=3 7893 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,1,0,0,0,0|2,0,0]=3 7894 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [0,1,0,0,0,0|2,0,0]=3 7895 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [0,1,0,0,0,0|2,0,0]=3 7896 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [0,1,0,0,0,0|3,0,0]=4 7897 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [0,1,0,0,0,0|2,0,0]=3 7898 B11R0.148 CCSCCNCCCS(=O)C 2230a_200000753449_100000757381 [0,1,0,0,0,0|3,0,0]=4 7899 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000106463_100000189650 [0,1,0,0,0,0|3,0,0]=4 7900 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000209853_100000757381 [0,1,0,0,0,0|3,0,0]=4 7901 B11R0.148 CCSCCNCCNC(=O)N 2230a_100000106463_200000034859 [0,1,0,0,0,0|3,0,0]=4 7902 B11R0.148 CCSCCNCCNC(=O)N 34a_100020590234_100000757381 [0,1,0,0,0,0|3,0,0]=4 7903 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,1,0,0,0,0|2,0,0]=3 7904 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,1,0,0,0,0|2,0,0]=3 7905 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,1,0,0,0,0|2,0,0]=3 7906 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,1,0,0,0,0|2,0,0]=3 7907 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [0,1,0,0,0,0|2,0,0]=3 7908 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [0,1,0,0,0,0|2,0,0]=3 7909 B11R0.148 CCSCCOCCC[N+](=O)[O-] 34a_200000037920_100000757381 [0,1,0,0,0,0|3,0,0]=4 7910 B11R0.148 CCSCCOCCNC(=O)C 34a_100000158858_100000757381 [0,1,0,0,0,0|3,0,0]=4 7911 B11R0.148 CCSCCOCCNC(=O)C 7a_100000212035_100000189650 [0,1,0,0,0,0|3,0,0]=4 7912 B11R0.148 CCSCCOCCNC(=O)N 34a_100000181757_100000757381 [0,1,0,0,0,0|3,0,0]=4 7913 B11R0.148 CCSCCOCCNC(=O)N 7a_100000212035_200000034859 [0,1,0,0,0,0|3,0,0]=4 7914 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [0,1,0,0,0,0|3,0,0]=4 7915 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [0,1,0,0,0,0|3,0,0]=4 7916 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [0,1,0,0,0,0|3,0,0]=4 7917 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [0,1,0,0,0,0|3,0,0]=4 7918 B11R0.148 CCSCCOCCOC(=O)N 34a_100000212035_200011214921 [0,1,0,0,0,0|3,0,0]=4 7919 B11R0.148 CCSCCOCCOC(=O)N 7a_100000212035_200011214921 [0,1,0,0,0,0|3,0,0]=4 7920 B11R0.148 CCSCCOCCOC(=O)N 7a_100000766696_100000757381 [0,1,0,0,0,0|3,0,0]=4 7921 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,1,0,0,0,0|2,0,0]=3 7922 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,1,0,0,0,0|2,0,0]=3 7923 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [0,1,0,0,0,0|2,0,0]=3 7924 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [0,1,0,0,0,0|2,0,0]=3 7925 B11R0.148 CCSCCSCCNC(=O)C 62a_100000189650_100000757381 [0,1,0,0,0,0|3,0,0]=4 7926 B11R0.148 CCSCCSCCNC(=O)C 62a_100000757381_100000189650 [0,1,0,0,0,0|3,0,0]=4 7927 B11R0.148 CCSCCSCCNC(=O)N 62a_100000757381_200000034859 [0,1,0,0,0,0|3,0,0]=4 7928 B11R0.148 CCSCCSCCNC(=O)N 62a_200000034859_100000757381 [0,1,0,0,0,0|3,0,0]=4 7929 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [0,1,0,0,0,0|3,0,0]=4 7930 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [0,1,0,0,0,0|3,0,0]=4 7931 B11R0.148 CCSCCSCCOC(=O)N 62a_100000757381_200011214921 [0,1,0,0,0,0|3,0,0]=4 7932 B11R0.148 CCSCCSCCOC(=O)N 62a_200011214921_100000757381 [0,1,0,0,0,0|3,0,0]=4 7933 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [0,1,0,0,0,0|1,0,2]=4 7934 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [0,1,0,0,0,0|1,0,2]=4 7935 B11R0.148 CN(C)CCCSCCCC=O 62a_200011292268_100000757444 [0,1,0,0,0,0|2,0,0]=3 7936 B11R0.148 CN(C)CCSCCCCC=O 62a_100000139335_100000755713 [0,1,0,0,0,0|2,0,0]=3 7937 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,1,0,0,0,0|2,0,0]=3 7938 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,1,0,0,0,0|2,0,0]=3 7939 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [0,1,0,0,0,0|2,0,0]=3 7940 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,1,0,0,0,0|2,0,0]=3 7941 B11R0.148 CNCCCCCOCC(C)C 34a_100000722520_100000210624 [0,1,0,0,0,0|3,0,0]=4 7942 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [0,1,0,0,0,0|3,0,0]=4 7943 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [0,1,0,0,0,0|3,0,0]=4 7944 B11R0.148 CNCCCCCOC[N+](=O)[O-] 34a_100000722520_100000761209 [0,1,0,0,0,0|3,0,0]=4 7945 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,1,0,0,0,0|2,0,0]=3 7946 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [0,1,0,0,0,0|2,0,0]=3 7947 B11R0.148 CNCCCOCCCC(C)C 34a_100000213112_100011214892 [0,1,0,0,0,0|3,0,0]=4 7948 B11R0.148 CNCCCOCCCC(C)O 34a_100000213112_200000718107 [0,1,0,0,0,0|3,0,0]=4 7949 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [0,1,0,0,0,0|3,0,0]=4 7950 B11R0.148 CNCCCOCCOC(=O)N 34a_100000213112_200011214921 [0,1,0,0,0,0|3,0,0]=4 7951 B11R0.148 CNCCOCCOCC(=O)N 34a_100000228057_100000187820 [0,1,0,0,0,0|3,0,0]=4 7952 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [0,1,0,0,0,0|3,0,0]=4 7953 B11R0.148 CNCCOCCOCC(=O)[O-] 34a_100000228057_100020667443 [0,1,0,0,0,0|3,0,0]=4 7954 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [0,1,0,0,0,0|2,0,0]=3 7955 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [0,1,0,0,0,0|2,0,0]=3 7956 B11R0.148 COCCCCCCNC(C)C 2230a_100138425928_100011998445 [0,1,0,0,0,0|3,0,0]=4 7957 B11R0.148 COCCCCCCNC(C)C 34a_100138425928_100011998445 [0,1,0,0,0,0|3,0,0]=4 7958 B11R0.148 COCCCCCCOC(C)C 34a_100000212225_100011998445 [0,1,0,0,0,0|3,0,0]=4 7959 B11R0.148 COCCCCCCOC(C)C 34a_200012092642_100000210206 [0,1,0,0,0,0|3,0,0]=4 7960 B11R0.148 COCCCCCCOC(C)C 7a_200012092642_100000210206 [0,1,0,0,0,0|3,0,0]=4 7961 B11R0.148 COCCCCCCSC(C)C 62a_100000210206_100011998445 [0,1,0,0,0,0|3,0,0]=4 7962 B11R0.148 COCCCCCCSC(C)C 62a_100011998445_100000210206 [0,1,0,0,0,0|3,0,0]=4 7963 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,1,0,0,0,0|2,0,0]=3 7964 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,1,0,0,0,0|2,0,0]=3 7965 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,1,0,0,0,0|2,0,0]=3 7966 B11R0.148 COCCCCCNCC(C)C 2230a_100000747528_100000210760 [0,1,0,0,0,0|3,0,0]=4 7967 B11R0.148 COCCCCCNCC(C)C 270004a_100000747528_100000210432 [0,1,0,0,0,0|3,0,0]=4 7968 B11R0.148 COCCCCCNCC(C)C 34a_100000747528_100000210624 [0,1,0,0,0,0|3,0,0]=4 7969 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [0,1,0,0,0,0|3,0,0]=4 7970 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [0,1,0,0,0,0|3,0,0]=4 7971 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [0,1,0,0,0,0|3,0,0]=4 7972 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [0,1,0,0,0,0|3,0,0]=4 7973 B11R0.148 COCCCCCNC[N+](=O)[O-] 34a_100000747528_100000761209 [0,1,0,0,0,0|3,0,0]=4 7974 B11R0.148 COCCCCNCCC(C)O 2230a_200000755665_100000730899 [0,1,0,0,0,0|3,0,0]=4 7975 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [0,1,0,0,0,0|3,0,0]=4 7976 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,1,0,0,0,0|2,0,0]=3 7977 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,1,0,0,0,0|2,0,0]=3 7978 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [0,1,0,0,0,0|2,0,0]=3 7979 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [0,1,0,0,0,0|2,0,0]=3 7980 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [0,1,0,0,0,0|2,0,0]=3 7981 B11R0.148 COCCCCOCCC(C)Br 34a_100009893172_100000755781 [0,1,0,0,0,0|3,0,0]=4 7982 B11R0.148 COCCCCOCCC(C)C 34a_100000210254_100000755781 [0,1,0,0,0,0|3,0,0]=4 7983 B11R0.148 COCCCCOCCC(C)C 34a_100000740925_100000210312 [0,1,0,0,0,0|3,0,0]=4 7984 B11R0.148 COCCCCOCCC(C)C 7a_100000210254_100000730899 [0,1,0,0,0,0|3,0,0]=4 7985 B11R0.148 COCCCCOCCC(C)O 34a_100000740925_100012276601 [0,1,0,0,0,0|3,0,0]=4 7986 B11R0.148 COCCCCOCC[C@@H](C)N 34a_100000706166_100000755781 [0,1,0,0,0,0|3,0,0]=4 7987 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [0,1,0,0,0,0|3,0,0]=4 7988 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,1,0,0,0,0|2,0,0]=3 7989 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,1,0,0,0,0|2,0,0]=3 7990 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [0,1,0,0,0,0|2,0,0]=3 7991 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [0,1,0,0,0,0|2,0,0]=3 7992 B11R0.148 COCCCCSCCC(C)C 62a_100000210312_100000730899 [0,1,0,0,0,0|3,0,0]=4 7993 B11R0.148 COCCCCSCCC(C)C 62a_100000730899_100000210312 [0,1,0,0,0,0|3,0,0]=4 7994 B11R0.148 COCCCCSCCC(C)O 62a_100000730899_100012276601 [0,1,0,0,0,0|3,0,0]=4 7995 B11R0.148 COCCCCSCCC(C)O 62a_100012276601_100000730899 [0,1,0,0,0,0|3,0,0]=4 7996 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [0,1,0,0,0,0|3,0,0]=4 7997 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [0,1,0,0,0,0|3,0,0]=4 7998 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,1,0,0,0,0|2,0,0]=3 7999 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [0,1,0,0,0,0|2,0,0]=3 8000 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [0,1,0,0,0,0|2,0,0]=3 8001 B11R0.148 COCCCNCCCC(C)C 2230a_200000737386_100000740836 [0,1,0,0,0,0|3,0,0]=4 8002 B11R0.148 COCCCNCCCC(C)C 34a_100150723488_100011214892 [0,1,0,0,0,0|3,0,0]=4 8003 B11R0.148 COCCCNCCCC(C)C 34a_200000737386_100000740836 [0,1,0,0,0,0|3,0,0]=4 8004 B11R0.148 COCCCNCCCC(C)O 34a_100150723488_200000718107 [0,1,0,0,0,0|3,0,0]=4 8005 B11R0.148 COCCCNCCCS(=O)C 2230a_200000753449_100000740836 [0,1,0,0,0,0|3,0,0]=4 8006 B11R0.148 COCCCNCCNC(=O)C 2230a_100000209853_100000740836 [0,1,0,0,0,0|3,0,0]=4 8007 B11R0.148 COCCCNCCNC(=O)N 34a_100020590234_100000740836 [0,1,0,0,0,0|3,0,0]=4 8008 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [0,1,0,0,0,0|3,0,0]=4 8009 B11R0.148 COCCCNCCOC(=O)N 34a_100150723488_200011214921 [0,1,0,0,0,0|3,0,0]=4 8010 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,1,0,0,0,0|2,0,0]=3 8011 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,1,0,0,0,0|2,0,0]=3 8012 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,1,0,0,0,0|2,0,0]=3 8013 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [0,1,0,0,0,0|2,0,0]=3 8014 B11R0.148 COCCCOCCCC(C)C 34a_100000210774_100000740836 [0,1,0,0,0,0|3,0,0]=4 8015 B11R0.148 COCCCOCCCC(C)C 34a_100000740835_100011214892 [0,1,0,0,0,0|3,0,0]=4 8016 B11R0.148 COCCCOCCCC(C)C 7a_100000210774_100000740836 [0,1,0,0,0,0|3,0,0]=4 8017 B11R0.148 COCCCOCCCC(C)O 34a_100000740835_200000718107 [0,1,0,0,0,0|3,0,0]=4 8018 B11R0.148 COCCCOCCC[N+](=O)[O-] 34a_200000037920_100000740836 [0,1,0,0,0,0|3,0,0]=4 8019 B11R0.148 COCCCOCCNC(=O)C 34a_100000158858_100000740836 [0,1,0,0,0,0|3,0,0]=4 8020 B11R0.148 COCCCOCCNC(=O)N 34a_100000181757_100000740836 [0,1,0,0,0,0|3,0,0]=4 8021 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [0,1,0,0,0,0|3,0,0]=4 8022 B11R0.148 COCCCOCCOC(=O)N 34a_100000740835_200011214921 [0,1,0,0,0,0|3,0,0]=4 8023 B11R0.148 COCCCOCCOC(=O)N 7a_100000766696_100000740836 [0,1,0,0,0,0|3,0,0]=4 8024 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,1,0,0,0,0|2,0,0]=3 8025 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,1,0,0,0,0|2,0,0]=3 8026 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [0,1,0,0,0,0|2,0,0]=3 8027 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [0,1,0,0,0,0|2,0,0]=3 8028 B11R0.148 COCCCSCCCC(C)C 62a_100000709357_100011214892 [0,1,0,0,0,0|3,0,0]=4 8029 B11R0.148 COCCCSCCCC(C)C 62a_100011214892_100000709357 [0,1,0,0,0,0|3,0,0]=4 8030 B11R0.148 COCCCSCCCC(C)O 62a_100000709357_200000718107 [0,1,0,0,0,0|3,0,0]=4 8031 B11R0.148 COCCCSCCCC(C)O 62a_200000718107_100000709357 [0,1,0,0,0,0|3,0,0]=4 8032 B11R0.148 COCCCSCCNC(=O)C 62a_100000189650_100000709357 [0,1,0,0,0,0|3,0,0]=4 8033 B11R0.148 COCCCSCCNC(=O)C 62a_100000709357_100000189650 [0,1,0,0,0,0|3,0,0]=4 8034 B11R0.148 COCCCSCCNC(=O)N 62a_100000709357_200000034859 [0,1,0,0,0,0|3,0,0]=4 8035 B11R0.148 COCCCSCCNC(=O)N 62a_200000034859_100000709357 [0,1,0,0,0,0|3,0,0]=4 8036 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [0,1,0,0,0,0|3,0,0]=4 8037 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [0,1,0,0,0,0|3,0,0]=4 8038 B11R0.148 COCCCSCCOC(=O)N 62a_100000709357_200011214921 [0,1,0,0,0,0|3,0,0]=4 8039 B11R0.148 COCCCSCCOC(=O)N 62a_200011214921_100000709357 [0,1,0,0,0,0|3,0,0]=4 8040 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [0,1,0,0,0,0|2,0,0]=3 8041 B11R0.148 COCCNCCCCC(C)C 2230a_100000209980_100011216152 [0,1,0,0,0,0|3,0,0]=4 8042 B11R0.148 COCCNCCCNC(=O)C 34a_100000736810_100011201679 [0,1,0,0,0,0|3,0,0]=4 8043 B11R0.148 COCCNCCCSC(=O)C 2230a_100000209980_100000038929 [0,1,0,0,0,0|3,0,0]=4 8044 B11R0.148 COCCNCCOCC(=O)N 2230a_100000209980_100000076697 [0,1,0,0,0,0|3,0,0]=4 8045 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [0,1,0,0,0,0|3,0,0]=4 8046 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,1,0,0,0,0|2,0,0]=3 8047 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [0,1,0,0,0,0|2,0,0]=3 8048 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [0,1,0,0,0,0|2,0,0]=3 8049 B11R0.148 COCCOCCCCC(C)C 34a_100000210237_100011216152 [0,1,0,0,0,0|3,0,0]=4 8050 B11R0.148 COCCOCCCCC(C)C 34a_100011214890_100011201679 [0,1,0,0,0,0|3,0,0]=4 8051 B11R0.148 COCCOCCCCC(C)C 7a_100011214890_100000233755 [0,1,0,0,0,0|3,0,0]=4 8052 B11R0.148 COCCOCCCC[N+](=O)[O-] 34a_200015379883_100011201679 [0,1,0,0,0,0|3,0,0]=4 8053 B11R0.148 COCCOCCCC[N+](=O)[O-] 7a_200015379883_100000233755 [0,1,0,0,0,0|3,0,0]=4 8054 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [0,1,0,0,0,0|3,0,0]=4 8055 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [0,1,0,0,0,0|3,0,0]=4 8056 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [0,1,0,0,0,0|3,0,0]=4 8057 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [0,1,0,0,0,0|3,0,0]=4 8058 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [0,1,0,0,0,0|3,0,0]=4 8059 B11R0.148 COCCOCCNCC(=O)N 2230a_100000711301_100000695917 [0,1,0,0,0,0|3,0,0]=4 8060 B11R0.148 COCCOCCNCC(=O)N 2230a_100000745349_100000747473 [0,1,0,0,0,0|3,0,0]=4 8061 B11R0.148 COCCOCCNCC(=O)N 34a_100000745349_100000187820 [0,1,0,0,0,0|3,0,0]=4 8062 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [0,1,0,0,0,0|3,0,0]=4 8063 B11R0.148 COCCOCCNCC(=O)[O-] 34a_100000745349_100020667443 [0,1,0,0,0,0|3,0,0]=4 8064 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [0,1,0,0,0,0|3,0,0]=4 8065 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [0,1,0,0,0,0|3,0,0]=4 8066 B11R0.148 COCCOCCOCC(=O)N 34a_100000210237_100000076697 [0,1,0,0,0,0|3,0,0]=4 8067 B11R0.148 COCCOCCOCC(=O)N 34a_100011215163_100000187820 [0,1,0,0,0,0|3,0,0]=4 8068 B11R0.148 COCCOCCOCC(=O)N 7a_100011215163_100000187820 [0,1,0,0,0,0|3,0,0]=4 8069 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [0,1,0,0,0,0|3,0,0]=4 8070 B11R0.148 COCCOCCOCC(=O)[O-] 34a_100011215163_100020667443 [0,1,0,0,0,0|3,0,0]=4 8071 B11R0.148 COCCOCCSCC(=O)N 62a_100000695917_100000747473 [0,1,0,0,0,0|3,0,0]=4 8072 B11R0.148 COCCOCCSCC(=O)N 62a_100000747473_100000695917 [0,1,0,0,0,0|3,0,0]=4 8073 B11R0.148 COCCOCCSCC(=O)[O-] 62a_100000695917_100020667443 [0,1,0,0,0,0|3,0,0]=4 8074 B11R0.148 COCCOCCSCC(=O)[O-] 62a_100020667443_100000695917 [0,1,0,0,0,0|3,0,0]=4 8075 B11R0.148 COCCOCSCCC(=O)C 62a_100000053229_100000231047 [0,1,0,0,0,0|3,0,0]=4 8076 B11R0.148 COCCOCSCCC(=O)C 62a_100000231047_100000053229 [0,1,0,0,0,0|3,0,0]=4 8077 B11R0.148 COCCOCSCCC(=O)N 62a_100000231047_100000744528 [0,1,0,0,0,0|3,0,0]=4 8078 B11R0.148 COCCOCSCCC(=O)N 62a_100000744528_100000231047 [0,1,0,0,0,0|3,0,0]=4 8079 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,1,0,0,0,0|2,0,0]=3 8080 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,1,0,0,0,0|2,0,0]=3 8081 B11R0.148 COCCSCCCCC(C)C 62a_100000233755_100011216152 [0,1,0,0,0,0|3,0,0]=4 8082 B11R0.148 COCCSCCCCC(C)C 62a_100011216152_100000233755 [0,1,0,0,0,0|3,0,0]=4 8083 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [0,1,0,0,0,0|3,0,0]=4 8084 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [0,1,0,0,0,0|3,0,0]=4 8085 B11R0.148 COCCSCCCSC(=O)C 62a_100000038929_100000233755 [0,1,0,0,0,0|3,0,0]=4 8086 B11R0.148 COCCSCCCSC(=O)C 62a_100000233755_100000038929 [0,1,0,0,0,0|3,0,0]=4 8087 B11R0.148 COCCSCCOCC(=O)N 62a_100000076697_100000233755 [0,1,0,0,0,0|3,0,0]=4 8088 B11R0.148 COCCSCCOCC(=O)N 62a_100000233755_100000076697 [0,1,0,0,0,0|3,0,0]=4 8089 B11R0.148 COCNCCCCCC(C)C 2230a_100011290863_100000766300 [0,1,0,0,0,0|3,0,0]=4 8090 B11R0.148 COCNCCCCNC(=O)C 2230a_200011368371_100000766300 [0,1,0,0,0,0|3,0,0]=4 8091 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [0,1,0,0,0,0|2,0,0]=3 8092 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [0,1,0,0,0,0|2,0,0]=3 8093 B11R0.148 COCSCCCCCC(C)C 62a_100000210682_100000766300 [0,1,0,0,0,0|3,0,0]=4 8094 B11R0.148 COCSCCCCCC(C)C 62a_100000766300_100000210682 [0,1,0,0,0,0|3,0,0]=4 8095 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [0,1,0,0,0,0|3,0,0]=4 8096 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [0,1,0,0,0,0|3,0,0]=4 8097 B11R0.148 COCSCCCCSC(=O)C 62a_100000766300_200010402107 [0,1,0,0,0,0|3,0,0]=4 8098 B11R0.148 COCSCCCCSC(=O)C 62a_200010402107_100000766300 [0,1,0,0,0,0|3,0,0]=4 8099 B11R0.148 CS(=O)CCCNCCCC=O 2230a_200000753449_200011292268 [0,1,0,0,0,0|2,0,0]=3 8100 B11R0.148 CS(=O)CCCNCCCCF 2230a_200000753449_100000729493 [0,1,0,0,0,0|3,0,0]=4 8101 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [0,1,0,0,0,0|3,0,0]=4 8102 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,1,0,0,0,0|2,0,0]=3 8103 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [0,1,0,0,0,0|2,0,0]=3 8104 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [0,1,0,0,0,0|2,0,0]=3 8105 B11R0.148 CSCCCCOCCC(C)C 34a_100011217163_100000210312 [0,1,0,0,0,0|3,0,0]=4 8106 B11R0.148 CSCCCCOCCC(C)C 7a_100011217163_100000210626 [0,1,0,0,0,0|3,0,0]=4 8107 B11R0.148 CSCCCCOCCC(C)O 34a_100011217163_100012276601 [0,1,0,0,0,0|3,0,0]=4 8108 B11R0.148 CSCCCCOCCC(C)O 7a_100011217163_100012276601 [0,1,0,0,0,0|3,0,0]=4 8109 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [0,1,0,0,0,0|3,0,0]=4 8110 B11R0.148 CSCCCNCCCC(C)C 2230a_100000749238_100011214892 [0,1,0,0,0,0|3,0,0]=4 8111 B11R0.148 CSCCCNCCCC(C)O 2230a_100000749238_200000718107 [0,1,0,0,0,0|3,0,0]=4 8112 B11R0.148 CSCCCNCCNC(=O)C 2230a_100000749238_100000189650 [0,1,0,0,0,0|3,0,0]=4 8113 B11R0.148 CSCCCNCCNC(=O)N 2230a_100000749238_200000034859 [0,1,0,0,0,0|3,0,0]=4 8114 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,1,0,0,0,0|2,0,0]=3 8115 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,1,0,0,0,0|2,0,0]=3 8116 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [0,1,0,0,0,0|2,0,0]=3 8117 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [0,1,0,0,0,0|2,0,0]=3 8118 B11R0.148 CSCCCOCCCC(C)C 34a_100000690336_100011214892 [0,1,0,0,0,0|3,0,0]=4 8119 B11R0.148 CSCCCOCCCC(C)C 7a_100000690336_100011214892 [0,1,0,0,0,0|3,0,0]=4 8120 B11R0.148 CSCCCOCCCC(C)O 34a_100000690336_200000718107 [0,1,0,0,0,0|3,0,0]=4 8121 B11R0.148 CSCCCOCCCC(C)O 7a_100000690336_200000718107 [0,1,0,0,0,0|3,0,0]=4 8122 B11R0.148 CSCCCOCCNC(=O)C 7a_100000690336_100000189650 [0,1,0,0,0,0|3,0,0]=4 8123 B11R0.148 CSCCCOCCNC(=O)N 7a_100000690336_200000034859 [0,1,0,0,0,0|3,0,0]=4 8124 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [0,1,0,0,0,0|3,0,0]=4 8125 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [0,1,0,0,0,0|3,0,0]=4 8126 B11R0.148 CSCCCOCCOC(=O)N 34a_100000690336_200011214921 [0,1,0,0,0,0|3,0,0]=4 8127 B11R0.148 CSCCCOCCOC(=O)N 7a_100000690336_200011214921 [0,1,0,0,0,0|3,0,0]=4 8128 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [0,1,0,0,0,0|2,0,0]=3 8129 B11R0.148 CSCCNCCCCC(C)C 2230a_100020590264_100011216152 [0,1,0,0,0,0|3,0,0]=4 8130 B11R0.148 CSCCNCCCNC(=O)C 34a_100000736810_100000212216 [0,1,0,0,0,0|3,0,0]=4 8131 B11R0.148 CSCCNCCCSC(=O)C 2230a_100020590264_100000038929 [0,1,0,0,0,0|3,0,0]=4 8132 B11R0.148 CSCCNCCOCC(=O)N 2230a_100020590264_100000076697 [0,1,0,0,0,0|3,0,0]=4 8133 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [0,1,0,0,0,0|3,0,0]=4 8134 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,1,0,0,0,0|2,0,0]=3 8135 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,1,0,0,0,0|2,0,0]=3 8136 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [0,1,0,0,0,0|2,0,0]=3 8137 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [0,1,0,0,0,0|2,0,0]=3 8138 B11R0.148 CSCCOCCCCC(C)C 34a_100000230434_100011216152 [0,1,0,0,0,0|3,0,0]=4 8139 B11R0.148 CSCCOCCCCC(C)C 34a_100011214890_100000212216 [0,1,0,0,0,0|3,0,0]=4 8140 B11R0.148 CSCCOCCCCC(C)C 7a_100000230434_100011216152 [0,1,0,0,0,0|3,0,0]=4 8141 B11R0.148 CSCCOCCCCC(C)C 7a_100011214890_100000212216 [0,1,0,0,0,0|3,0,0]=4 8142 B11R0.148 CSCCOCCCC[N+](=O)[O-] 34a_200015379883_100000212216 [0,1,0,0,0,0|3,0,0]=4 8143 B11R0.148 CSCCOCCCC[N+](=O)[O-] 7a_200015379883_100000212216 [0,1,0,0,0,0|3,0,0]=4 8144 B11R0.148 CSCCOCCCNC(=O)C 34a_100000752032_100000212216 [0,1,0,0,0,0|3,0,0]=4 8145 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [0,1,0,0,0,0|3,0,0]=4 8146 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [0,1,0,0,0,0|3,0,0]=4 8147 B11R0.148 CSCCOCCCSC(=O)C 34a_100000230434_100000038929 [0,1,0,0,0,0|3,0,0]=4 8148 B11R0.148 CSCCOCCCSC(=O)C 7a_100000230434_100000038929 [0,1,0,0,0,0|3,0,0]=4 8149 B11R0.148 CSCCOCCOCC(=O)N 34a_100000230434_100000076697 [0,1,0,0,0,0|3,0,0]=4 8150 B11R0.148 CSCCOCCOCC(=O)N 7a_100000230434_100000076697 [0,1,0,0,0,0|3,0,0]=4 8151 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,1,0,0,0,0|2,0,0]=3 8152 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,1,0,0,0,0|2,0,0]=3 8153 B11R0.148 CSCCSCCCCC(C)C 62a_100000212216_100011216152 [0,1,0,0,0,0|3,0,0]=4 8154 B11R0.148 CSCCSCCCCC(C)C 62a_100011216152_100000751147 [0,1,0,0,0,0|3,0,0]=4 8155 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [0,1,0,0,0,0|3,0,0]=4 8156 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [0,1,0,0,0,0|3,0,0]=4 8157 B11R0.148 CSCCSCCCSC(=O)C 62a_100000038929_100000751147 [0,1,0,0,0,0|3,0,0]=4 8158 B11R0.148 CSCCSCCCSC(=O)C 62a_100000212216_100000038929 [0,1,0,0,0,0|3,0,0]=4 8159 B11R0.148 CSCCSCCOCC(=O)N 62a_100000076697_100000751147 [0,1,0,0,0,0|3,0,0]=4 8160 B11R0.148 CSCCSCCOCC(=O)N 62a_100000212216_100000076697 [0,1,0,0,0,0|3,0,0]=4 8161 B11R0.148 CSCNCCCCCC(C)C 2230a_100011290863_100011218213 [0,1,0,0,0,0|3,0,0]=4 8162 B11R0.148 CSCNCCCCCC(C)C 34a_100011290863_100011218213 [0,1,0,0,0,0|3,0,0]=4 8163 B11R0.148 CSCNCCCCNC(=O)C 2230a_200011368371_100011218213 [0,1,0,0,0,0|3,0,0]=4 8164 B11R0.148 CSCNCCCCNC(=O)C 34a_200011368371_100011218213 [0,1,0,0,0,0|3,0,0]=4 8165 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [0,1,0,0,0,0|2,0,0]=3 8166 B11R0.148 CSCOCCCCCC(C)C 34a_100011995859_100011218213 [0,1,0,0,0,0|3,0,0]=4 8167 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [0,1,0,0,0,0|3,0,0]=4 8168 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [0,1,0,0,0,0|2,0,0]=3 8169 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [0,1,0,0,0,0|2,0,0]=3 8170 B11R0.148 CSCSCCCCCC(C)C 62a_100000210682_100011218213 [0,1,0,0,0,0|3,0,0]=4 8171 B11R0.148 CSCSCCCCCC(C)C 62a_100011218213_100000210682 [0,1,0,0,0,0|3,0,0]=4 8172 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [0,1,0,0,0,0|3,0,0]=4 8173 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [0,1,0,0,0,0|3,0,0]=4 8174 B11R0.148 CSCSCCCCSC(=O)C 62a_100011218213_200010402107 [0,1,0,0,0,0|3,0,0]=4 8175 B11R0.148 CSCSCCCCSC(=O)C 62a_200010402107_100011218213 [0,1,0,0,0,0|3,0,0]=4 8176 B11R0.148 C[C@@H](Cl)COCCCCCCF 34a_100016084084_100015922095 [0,1,0,0,0,0|2,0,1]=4 8177 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [0,1,0,0,0,0|1,0,2]=4 8178 B11R0.148 C[C@@H](N)CCOCCCCCF 34a_100000706166_100000729378 [0,1,0,0,0,0|2,0,1]=4 8179 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [0,1,0,0,0,0|1,0,2]=4 8180 B11R0.148 C[C@@H](N)COCCCCCCF 34a_100000737577_100015922095 [0,1,0,0,0,0|2,0,1]=4 8181 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [0,1,0,0,0,0|1,0,2]=4 8182 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [0,1,0,0,0,0|1,0,2]=4 8183 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [0,1,0,0,0,0|1,0,2]=4 8184 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [0,1,0,0,0,0|2,0,1]=4 8185 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [0,1,0,0,0,0|2,0,1]=4 8186 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [0,1,0,0,0,0|2,0,1]=4 8187 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [0,1,0,0,0,0|2,0,1]=4 8188 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [0,1,0,0,0,0|2,0,1]=4 8189 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [0,1,0,0,0,0|2,0,1]=4 8190 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [0,1,0,0,0,0|2,0,1]=4 8191 B11R0.148 C[C@@H](O)CSCCCCCC#N 62a_100009813376_100009817552 [0,1,0,0,0,0|2,0,1]=4 8192 B11R0.148 C[C@@H](O)CSCCCCCC#N 62a_100009817552_100009813376 [0,1,0,0,0,0|2,0,1]=4 8193 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100000139337_100009817552 [0,1,0,0,0,0|1,0,0]=2 8194 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100009817552_100000139337 [0,1,0,0,0,0|1,0,0]=2 8195 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [0,1,0,0,0,0|2,0,1]=4 8196 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [0,1,0,0,0,0|2,0,1]=4 8197 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [0,1,0,0,0,0|1,0,2]=4 8198 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [0,1,0,0,0,0|1,0,2]=4 8199 B11R0.148 N#CCCCCCNCC(=O)N 2230a_100000711301_100009813376 [0,1,0,0,0,0|2,0,1]=4 8200 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [0,1,0,0,0,0|2,0,1]=4 8201 B11R0.148 N#CCCCCCSCC(=O)N 62a_100000747473_100009813376 [0,1,0,0,0,0|2,0,1]=4 8202 B11R0.148 N#CCCCCCSCC(=O)N 62a_100009813376_100000747473 [0,1,0,0,0,0|2,0,1]=4 8203 B11R0.148 N#CCCCCCSCC(=O)[O-] 62a_100009813376_100020667443 [0,1,0,0,0,0|2,0,1]=4 8204 B11R0.148 N#CCCCCCSCC(=O)[O-] 62a_100020667443_100009813376 [0,1,0,0,0,0|2,0,1]=4 8205 B11R0.148 N#CCCCCOCCC(=O)N 7a_100000757172_100000211819 [0,1,0,0,0,0|2,0,1]=4 8206 B11R0.148 N#CCCCCSCCC(=O)N 62a_100000744528_100000211819 [0,1,0,0,0,0|2,0,1]=4 8207 B11R0.148 N#CCCCCSCCC(=O)N 62a_100011219923_100000744528 [0,1,0,0,0,0|2,0,1]=4 8208 B11R0.148 N#CCCCSCCCC(=O)N 62a_100000687738_100102525003 [0,1,0,0,0,0|2,0,1]=4 8209 B11R0.148 N#CCCCSCCCC(=O)N 62a_100102525003_100000687738 [0,1,0,0,0,0|2,0,1]=4 8210 B11R0.148 N#CCCOCCCCC(=O)N 7a_100012022536_100000184422 [0,1,0,0,0,0|2,0,1]=4 8211 B11R0.148 N#CCOCCCCCC(=O)N 7a_100000123541_100011215382 [0,1,0,0,0,0|2,0,1]=4 8212 B11R0.148 N#CCOCCCCCC(=O)[O-] 7a_100102619762_100011215382 [0,1,0,0,0,0|2,0,1]=4 8213 B11R0.148 N#CCSCCCCCC(=O)N 62a_100009817443_100011215382 [0,1,0,0,0,0|2,0,1]=4 8214 B11R0.148 N#CCSCCCCCC(=O)N 62a_100011215382_100009817443 [0,1,0,0,0,0|2,0,1]=4 8215 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [0,1,0,0,0,0|2,0,0]=3 8216 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,1,0,0,0,0|2,0,0]=3 8217 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,1,0,0,0,0|2,0,0]=3 8218 B11R0.148 NC(=O)CCCCCOCC=O 34a_100000123541_200009817547 [0,1,0,0,0,0|2,0,1]=4 8219 B11R0.148 NC(=O)CCCCCOCC=O 7a_100000123541_200015260668 [0,1,0,0,0,0|2,0,1]=4 8220 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [0,1,0,0,0,0|2,0,0]=3 8221 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [0,1,0,0,0,0|2,0,0]=3 8222 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [0,1,0,0,0,0|2,0,0]=3 8223 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,1,0,0,0,0|2,0,0]=3 8224 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,1,0,0,0,0|2,0,0]=3 8225 B11R0.148 NC(=O)CCCCCSCC=O 62a_100009817443_200015260668 [0,1,0,0,0,0|2,0,1]=4 8226 B11R0.148 NC(=O)CCCCCSCC=O 62a_200015260668_100009817443 [0,1,0,0,0,0|2,0,1]=4 8227 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [0,1,0,0,0,0|2,0,0]=3 8228 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [0,1,0,0,0,0|2,0,0]=3 8229 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,1,0,0,0,0|2,0,0]=3 8230 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,1,0,0,0,0|2,0,0]=3 8231 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [0,1,0,0,0,0|2,0,0]=3 8232 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,1,0,0,0,0|2,0,0]=3 8233 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [0,1,0,0,0,0|2,0,0]=3 8234 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [0,1,0,0,0,0|2,0,0]=3 8235 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,1,0,0,0,0|2,0,0]=3 8236 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,1,0,0,0,0|2,0,0]=3 8237 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [0,1,0,0,0,0|2,0,0]=3 8238 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,1,0,0,0,0|2,0,0]=3 8239 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,1,0,0,0,0|2,0,0]=3 8240 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [0,1,0,0,0,0|2,0,0]=3 8241 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [0,1,0,0,0,0|2,0,0]=3 8242 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [0,1,0,0,0,0|2,0,0]=3 8243 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [0,1,0,0,0,0|2,0,0]=3 8244 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [0,1,0,0,0,0|2,0,0]=3 8245 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [0,1,0,0,0,0|2,0,0]=3 8246 B11R0.148 NC(=O)CCCSCCCC=O 62a_100102525003_200011292268 [0,1,0,0,0,0|2,0,1]=4 8247 B11R0.148 NC(=O)CCCSCCCC=O 62a_200011292268_100102525003 [0,1,0,0,0,0|2,0,1]=4 8248 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [0,1,0,0,0,0|2,0,0]=3 8249 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [0,1,0,0,0,0|2,0,0]=3 8250 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,1,0,0,0,0|2,0,0]=3 8251 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,1,0,0,0,0|2,0,0]=3 8252 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,1,0,0,0,0|2,0,0]=3 8253 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,1,0,0,0,0|2,0,0]=3 8254 B11R0.148 NC(=O)CCNCCOCCO 2230a_100000211614_100000744528 [0,1,0,0,0,0|3,0,0]=4 8255 B11R0.148 NC(=O)CCNCCOCCO 34a_100000211614_100000731001 [0,1,0,0,0,0|3,0,0]=4 8256 B11R0.148 NC(=O)CCNCCSCCO 2230a_100011219999_100000744528 [0,1,0,0,0,0|3,0,0]=4 8257 B11R0.148 NC(=O)CCOCCCCC=O 7a_100000757172_100000139335 [0,1,0,0,0,0|2,0,1]=4 8258 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [0,1,0,0,0,0|2,0,0]=3 8259 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [0,1,0,0,0,0|2,0,0]=3 8260 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [0,1,0,0,0,0|2,0,0]=3 8261 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [0,1,0,0,0,0|2,0,0]=3 8262 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [0,1,0,0,0,0|2,0,0]=3 8263 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [0,1,0,0,0,0|2,0,0]=3 8264 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [0,1,0,0,0,0|2,0,0]=3 8265 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [0,1,0,0,0,0|2,0,0]=3 8266 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,1,0,0,0,0|2,0,0]=3 8267 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,1,0,0,0,0|2,0,0]=3 8268 B11R0.148 NC(=O)CCOCCOCCBr 34a_100000692535_100000731001 [0,1,0,0,0,0|3,0,0]=4 8269 B11R0.148 NC(=O)CCOCCOCCBr 7a_100000692535_100000744528 [0,1,0,0,0,0|3,0,0]=4 8270 B11R0.148 NC(=O)CCOCCOCCCl 34a_100011215305_100000731001 [0,1,0,0,0,0|3,0,0]=4 8271 B11R0.148 NC(=O)CCOCCOCCCl 7a_100011215305_100000744528 [0,1,0,0,0,0|3,0,0]=4 8272 B11R0.148 NC(=O)CCOCCOCCF 34a_200015357709_100000731001 [0,1,0,0,0,0|3,0,0]=4 8273 B11R0.148 NC(=O)CCOCCOCCF 7a_200015357709_100000744528 [0,1,0,0,0,0|3,0,0]=4 8274 B11R0.148 NC(=O)CCOCCOCCI 34a_100012149058_100000731001 [0,1,0,0,0,0|3,0,0]=4 8275 B11R0.148 NC(=O)CCOCCOCCI 7a_100012149058_100000744528 [0,1,0,0,0,0|3,0,0]=4 8276 B11R0.148 NC(=O)CCOCCOCCO 34a_100000757172_100000692535 [0,1,0,0,0,0|3,0,0]=4 8277 B11R0.148 NC(=O)CCOCCOCCO 7a_100000757172_100011215305 [0,1,0,0,0,0|3,0,0]=4 8278 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000139335_100000744528 [0,1,0,0,0,0|2,0,1]=4 8279 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000744528_100000139335 [0,1,0,0,0,0|2,0,1]=4 8280 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [0,1,0,0,0,0|2,0,0]=3 8281 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [0,1,0,0,0,0|2,0,0]=3 8282 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,1,0,0,0,0|2,0,0]=3 8283 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,1,0,0,0,0|2,0,0]=3 8284 B11R0.148 NC(=O)CCSCCOCCO 62a_100000744528_100011215305 [0,1,0,0,0,0|3,0,0]=4 8285 B11R0.148 NC(=O)CCSCCOCCO 62a_100011215305_100000744528 [0,1,0,0,0,0|3,0,0]=4 8286 B11R0.148 NC(=O)CNCCCCCC=O 2230a_100000711301_100000139337 [0,1,0,0,0,0|2,0,1]=4 8287 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,1,0,0,0,0|2,0,0]=3 8288 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,1,0,0,0,0|2,0,0]=3 8289 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,1,0,0,0,0|2,0,0]=3 8290 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,1,0,0,0,0|2,0,0]=3 8291 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [0,1,0,0,0,0|2,0,0]=3 8292 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [0,1,0,0,0,0|2,0,0]=3 8293 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [0,1,0,0,0,0|2,0,0]=3 8294 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [0,1,0,0,0,0|2,0,0]=3 8295 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [0,1,0,0,0,0|2,0,0]=3 8296 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [0,1,0,0,0,0|2,0,0]=3 8297 B11R0.148 NC(=O)COCCNCCCF 2230a_100015189416_100000076697 [0,1,0,0,0,0|3,0,0]=4 8298 B11R0.148 NC(=O)COCCNCCCF 34a_100015189416_100000076697 [0,1,0,0,0,0|3,0,0]=4 8299 B11R0.148 NC(=O)COCCOCCCBr 34a_100011217188_100000076697 [0,1,0,0,0,0|3,0,0]=4 8300 B11R0.148 NC(=O)COCCOCCCCl 34a_100000230001_100000076697 [0,1,0,0,0,0|3,0,0]=4 8301 B11R0.148 NC(=O)COCCOCCCF 34a_100000759539_100000076697 [0,1,0,0,0,0|3,0,0]=4 8302 B11R0.148 NC(=O)COCCSCCCF 62a_100000076697_100011934791 [0,1,0,0,0,0|3,0,0]=4 8303 B11R0.148 NC(=O)COCCSCCCF 62a_100011934791_100000076697 [0,1,0,0,0,0|3,0,0]=4 8304 B11R0.148 NC(=O)COCCSCCCO 62a_100000076697_100011215043 [0,1,0,0,0,0|3,0,0]=4 8305 B11R0.148 NC(=O)COCCSCCCO 62a_100011215043_100000076697 [0,1,0,0,0,0|3,0,0]=4 8306 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000139337_100000747473 [0,1,0,0,0,0|2,0,1]=4 8307 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000747473_100000139337 [0,1,0,0,0,0|2,0,1]=4 8308 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [0,1,0,0,0,0|2,0,0]=3 8309 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [0,1,0,0,0,0|2,0,0]=3 8310 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,1,0,0,0,0|2,0,0]=3 8311 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,1,0,0,0,0|2,0,0]=3 8312 B11R0.148 NC(=O)NCCNCCCCF 34a_100020590234_100000729493 [0,1,0,0,0,0|3,0,0]=4 8313 B11R0.148 NC(=O)NCCNCCCCO 2230a_100000750430_200000034859 [0,1,0,0,0,0|3,0,0]=4 8314 B11R0.148 NC(=O)NCCNCCCCO 34a_100020590234_100011216708 [0,1,0,0,0,0|3,0,0]=4 8315 B11R0.148 NC(=O)NCCOCCCCCl 7a_100000210776_200000034859 [0,1,0,0,0,0|3,0,0]=4 8316 B11R0.148 NC(=O)NCCOCCCCF 34a_100000181757_100000729493 [0,1,0,0,0,0|3,0,0]=4 8317 B11R0.148 NC(=O)NCCOCCCCF 7a_100011995726_200000034859 [0,1,0,0,0,0|3,0,0]=4 8318 B11R0.148 NC(=O)NCCOCCCCO 34a_100000181757_100011216708 [0,1,0,0,0,0|3,0,0]=4 8319 B11R0.148 NC(=O)NCCSCCCCF 62a_100000729493_200000034859 [0,1,0,0,0,0|3,0,0]=4 8320 B11R0.148 NC(=O)NCCSCCCCF 62a_200000034859_100000729493 [0,1,0,0,0,0|3,0,0]=4 8321 B11R0.148 NC(=O)NCCSCCCCO 62a_100000210776_200000034859 [0,1,0,0,0,0|3,0,0]=4 8322 B11R0.148 NC(=O)NCCSCCCCO 62a_200000034859_100000210776 [0,1,0,0,0,0|3,0,0]=4 8323 B11R0.148 NC(=O)OCCNCCCCO 34a_100000750430_200011214921 [0,1,0,0,0,0|3,0,0]=4 8324 B11R0.148 NC(=O)OCCOCCCCBr 34a_100011216708_200011214921 [0,1,0,0,0,0|3,0,0]=4 8325 B11R0.148 NC(=O)OCCOCCCCCl 34a_100000210776_200011214921 [0,1,0,0,0,0|3,0,0]=4 8326 B11R0.148 NC(=O)OCCOCCCCCl 7a_100000210776_200011214921 [0,1,0,0,0,0|3,0,0]=4 8327 B11R0.148 NC(=O)OCCOCCCCF 34a_100011995726_200011214921 [0,1,0,0,0,0|3,0,0]=4 8328 B11R0.148 NC(=O)OCCOCCCCF 7a_100000766696_100000729493 [0,1,0,0,0,0|3,0,0]=4 8329 B11R0.148 NC(=O)OCCOCCCCF 7a_100011995726_200011214921 [0,1,0,0,0,0|3,0,0]=4 8330 B11R0.148 NC(=O)OCCOCCCCI 34a_200012148704_200011214921 [0,1,0,0,0,0|3,0,0]=4 8331 B11R0.148 NC(=O)OCCOCCCCO 7a_100000766696_100000210776 [0,1,0,0,0,0|3,0,0]=4 8332 B11R0.148 NC(=O)OCCSCCCCF 62a_100000729493_200011214921 [0,1,0,0,0,0|3,0,0]=4 8333 B11R0.148 NC(=O)OCCSCCCCF 62a_200011214921_100000729493 [0,1,0,0,0,0|3,0,0]=4 8334 B11R0.148 NC(=O)OCCSCCCCO 62a_100000210776_200011214921 [0,1,0,0,0,0|3,0,0]=4 8335 B11R0.148 NC(=O)OCCSCCCCO 62a_200011214921_100000210776 [0,1,0,0,0,0|3,0,0]=4 8336 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,1,0,0,0,0|2,0,0]=3 8337 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,1,0,0,0,0|2,0,0]=3 8338 B11R0.148 NCCCCCCOC[N+](=O)[O-] 34a_100000686447_100000761209 [0,1,0,0,0,0|3,0,0]=4 8339 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,1,0,0,0,0|2,0,0]=3 8340 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,1,0,0,0,0|2,0,0]=3 8341 B11R0.148 NCCCCOCCOC(=O)N 34a_100000750430_200011214921 [0,1,0,0,0,0|3,0,0]=4 8342 B11R0.148 NCCCOCCOCC(=O)N 34a_100000182051_100000076697 [0,1,0,0,0,0|3,0,0]=4 8343 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,1,0,0,0,0|2,0,0]=3 8344 B11R0.148 NCCOCCOCCC(=O)N 34a_100000211614_100000731001 [0,1,0,0,0,0|3,0,0]=4 8345 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,1,0,0,0,0|2,0,0]=3 8346 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,1,0,0,0,0|2,0,0]=3 8347 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [0,1,0,0,0,0|3,0,0]=4 8348 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [0,1,0,0,0,0|3,0,0]=4 8349 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [0,1,0,0,0,0|3,0,0]=4 8350 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [0,1,0,0,0,0|3,0,0]=4 8351 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [0,1,0,0,0,0|2,0,0]=3 8352 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,1,0,0,0,0|2,0,0]=3 8353 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,1,0,0,0,0|2,0,0]=3 8354 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,1,0,0,0,0|2,0,0]=3 8355 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,1,0,0,0,0|2,0,0]=3 8356 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,1,0,0,0,0|2,0,0]=3 8357 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,1,0,0,0,0|2,0,0]=3 8358 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,1,0,0,0,0|2,0,0]=3 8359 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,1,0,0,0,0|2,0,0]=3 8360 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,1,0,0,0,0|2,0,0]=3 8361 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [0,1,0,0,0,0|2,0,1]=4 8362 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100000139337_100020667443 [0,1,0,0,0,0|2,0,1]=4 8363 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100020667443_100000139337 [0,1,0,0,0,0|2,0,1]=4 8364 B11R0.148 O=CCCCCCSCC(F)F 62a_100000139337_100011934356 [0,1,0,0,0,0|2,0,0]=3 8365 B11R0.148 O=CCCCCCSCC(F)F 62a_100011934356_100000139337 [0,1,0,0,0,0|2,0,0]=3 8366 B11R0.148 O=CCCCCCSC[N+](=O)[O-] 62a_100000139337_100000761209 [0,1,0,0,0,0|3,0,0]=4 8367 B11R0.148 O=CCOCCCCCC(=O)[O-] 7a_100102619762_200015260668 [0,1,0,0,0,0|2,0,1]=4 8368 B11R0.148 O=CCSCCCCCB(O)O 62a_200009817188_200015260668 [0,1,0,0,0,0|3,0,0]=4 8369 B11R0.148 O=CCSCCCCCB(O)O 62a_200015260668_200009817188 [0,1,0,0,0,0|3,0,0]=4 8370 B11R0.148 O=[N+]([O-])CCCCOCCCF 34a_200015379883_100011934791 [0,1,0,0,0,0|3,0,0]=4 8371 B11R0.148 O=[N+]([O-])CCCCOCCCF 7a_200015379883_100011934791 [0,1,0,0,0,0|3,0,0]=4 8372 B11R0.148 O=[N+]([O-])CCCCOCCCO 34a_200015379883_100000230001 [0,1,0,0,0,0|3,0,0]=4 8373 B11R0.148 O=[N+]([O-])CCCCOCCCO 7a_200015379883_100011215043 [0,1,0,0,0,0|3,0,0]=4 8374 B11R0.148 O=[N+]([O-])CCCOCCCCF 34a_200000037920_100000729493 [0,1,0,0,0,0|3,0,0]=4 8375 B11R0.148 O=[N+]([O-])CCCOCCCCO 34a_200000037920_100011216708 [0,1,0,0,0,0|3,0,0]=4 8376 B11R0.148 O=[N+]([O-])CNCCCCCCO 34a_100000686447_100000761209 [0,1,0,0,0,0|3,0,0]=4 8377 B11R0.148 O=[N+]([O-])COCCCCCCBr 34a_100011215345_100000761209 [0,1,0,0,0,0|3,0,0]=4 8378 B11R0.148 O=[N+]([O-])COCCCCCCCl 34a_100000766143_100000761209 [0,1,0,0,0,0|3,0,0]=4 8379 B11R0.148 O=[N+]([O-])COCCCCCCF 34a_100000732779_100000761209 [0,1,0,0,0,0|3,0,0]=4 8380 B11R0.148 O=[N+]([O-])CSCCCCCCF 62a_100015922095_100000761209 [0,1,0,0,0,0|3,0,0]=4 8381 B11R0.148 O=[N+]([O-])CSCCCCCCO 62a_100000766143_100000761209 [0,1,0,0,0,0|3,0,0]=4 8382 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [0,1,0,0,0,0|3,0,0]=4 8383 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [0,1,0,0,0,0|3,0,0]=4 8384 B11R1.4 BrCCCCOC1CCCC1 34a_100011216708_100000179811 [0,0,0,1,0,0|2,0,1]=4 8385 B11R1.4 BrCCCOCC1CCCC1 34a_100011217188_100000740388 [0,0,0,1,0,0|2,0,1]=4 8386 B11R1.4 BrCCOCCC1CCCC1 34a_100000211926_100000760354 [0,0,0,1,0,0|2,0,1]=4 8387 B11R1.4 C#CCCCCN1CCCC1 2230a_100000188435_100010269958 [0,0,0,1,0,0|2,0,1]=4 8388 B11R1.4 C#CCCCCN1CCCC1 269982a_100000188435_100010269958 [0,0,0,1,0,0|2,0,1]=4 8389 B11R1.4 C#CCCCNC1CCCC1 2230a_100000211070_100000731252 [0,0,0,1,0,0|2,0,1]=4 8390 B11R1.4 C#CCCCNC1CCCC1 270004a_100000718082_100000210133 [0,0,0,1,0,0|2,0,1]=4 8391 B11R1.4 C#CCCCNC1CCCC1 34a_100000211070_100000695029 [0,0,0,1,0,0|2,0,1]=4 8392 B11R1.4 C#CCCCNC1CCCC1 34a_100000718082_100000179811 [0,0,0,1,0,0|2,0,1]=4 8393 B11R1.4 C#CCCCOC1CCCC1 34a_100000210269_100000695029 [0,0,0,1,0,0|2,0,1]=4 8394 B11R1.4 C#CCCCOC1CCCC1 34a_100000215630_100000179811 [0,0,0,1,0,0|2,0,1]=4 8395 B11R1.4 C#CCCCOC1CCCC1 7a_100000210269_100011215417 [0,0,0,1,0,0|2,0,1]=4 8396 B11R1.4 C#CCCCOC1CCCC1 7a_100000215630_100000179811 [0,0,0,1,0,0|2,0,1]=4 8397 B11R1.4 C#CCCCSC1CCCC1 62a_100011215417_100000179811 [0,0,0,1,0,0|2,0,1]=4 8398 B11R1.4 C#CCCCSC1CCCC1 62a_100011217020_100011215417 [0,0,0,1,0,0|2,0,1]=4 8399 B11R1.4 C#CCCNCC1CCCC1 2230a_100000737975_100000688953 [0,0,0,1,0,0|2,0,1]=4 8400 B11R1.4 C#CCCNCC1CCCC1 34a_100000737975_100000688953 [0,0,0,1,0,0|2,0,1]=4 8401 B11R1.4 C#CCCNCC1CCCC1 34a_100000755551_100000740388 [0,0,0,1,0,0|2,0,1]=4 8402 B11R1.4 C#CCCOCC1CCCC1 34a_100000742336_100000688953 [0,0,0,1,0,0|2,0,1]=4 8403 B11R1.4 C#CCCOCC1CCCC1 34a_100011215631_100000740388 [0,0,0,1,0,0|2,0,1]=4 8404 B11R1.4 C#CCCOCC1CCCC1 7a_100000742336_100000688953 [0,0,0,1,0,0|2,0,1]=4 8405 B11R1.4 C#CCCSCC1CCCC1 62a_100000688953_100000740388 [0,0,0,1,0,0|2,0,1]=4 8406 B11R1.4 C#CCCSCC1CCCC1 62a_100000740388_100000688953 [0,0,0,1,0,0|2,0,1]=4 8407 B11R1.4 C#CCNCCC1CCCC1 2230a_100000739158_100000038162 [0,0,0,1,0,0|2,0,1]=4 8408 B11R1.4 C#CCNCCC1CCCC1 34a_100000212058_100000760354 [0,0,0,1,0,0|2,0,1]=4 8409 B11R1.4 C#CCNCCC1CCCC1 34a_100000739158_100000184674 [0,0,0,1,0,0|2,0,1]=4 8410 B11R1.4 C#CCOCCC1CCCC1 34a_100000210247_100000760354 [0,0,0,1,0,0|2,0,1]=4 8411 B11R1.4 C#CCOCCC1CCCC1 34a_100000749090_100000184674 [0,0,0,1,0,0|2,0,1]=4 8412 B11R1.4 C#CCOCCC1CCCC1 7a_100000749090_100000038162 [0,0,0,1,0,0|2,0,1]=4 8413 B11R1.4 C#CCSCCC1CCCC1 62a_100000038162_100000760354 [0,0,0,1,0,0|2,0,1]=4 8414 B11R1.4 C/C=C/CCOC1CCCC1 34a_100016278192_100000179811 [0,0,0,1,0,0|2,0,1]=4 8415 B11R1.4 C/C=C/CNCC1CCCC1 34a_100000737975_100102629194 [0,0,0,1,0,0|2,0,1]=4 8416 B11R1.4 C/C=C/COCC1CCCC1 34a_100000742336_100102629194 [0,0,0,1,0,0|2,0,1]=4 8417 B11R1.4 C/C=C/COCC1CCCC1 34a_100016270725_100000740388 [0,0,0,1,0,0|2,0,1]=4 8418 B11R1.4 C/C=C/COCC1CCCC1 7a_100000742336_100102629194 [0,0,0,1,0,0|2,0,1]=4 8419 B11R1.4 C/C=C/CSCC1CCCC1 62a_100000740388_100102629194 [0,0,0,1,0,0|2,0,1]=4 8420 B11R1.4 C/C=C/CSCC1CCCC1 62a_100102629194_100000740388 [0,0,0,1,0,0|2,0,1]=4 8421 B11R1.4 C=CCCCCN1CCCC1 2230a_100000188435_100011215482 [0,0,0,1,0,0|2,0,0]=3 8422 B11R1.4 C=CCCCCN1CCCC1 269982a_100000188435_100011215482 [0,0,0,1,0,0|2,0,0]=3 8423 B11R1.4 C=CCCCCN1CCSC1 2230a_100011215254_100011215482 [0,0,0,1,0,0|3,0,0]=4 8424 B11R1.4 C=CCCCCN1CCSC1 269982a_100011215254_100011215482 [0,0,0,1,0,0|3,0,0]=4 8425 B11R1.4 C=CCCCNC1CCCC1 2230a_100000211070_100011713584 [0,0,0,1,0,0|2,0,0]=3 8426 B11R1.4 C=CCCCNC1CCCC1 2230a_100000700776_100000179811 [0,0,0,1,0,0|2,0,0]=3 8427 B11R1.4 C=CCCCNC1CCCC1 270004a_100000700776_100000210133 [0,0,0,1,0,0|2,0,0]=3 8428 B11R1.4 C=CCCCNC1CCCC1 34a_100000211070_100000757094 [0,0,0,1,0,0|2,0,0]=3 8429 B11R1.4 C=CCCCNC1CCCC1 34a_100000700776_100000179811 [0,0,0,1,0,0|2,0,0]=3 8430 B11R1.4 C=CCCCNC1CCOC1 2230a_100000700776_100000731011 [0,0,0,1,0,0|3,0,0]=4 8431 B11R1.4 C=CCCCNC1CCOC1 270004a_100000700776_100000752484 [0,0,0,1,0,0|3,0,0]=4 8432 B11R1.4 C=CCCCNC1CCOC1 34a_100000700776_100000690089 [0,0,0,1,0,0|3,0,0]=4 8433 B11R1.4 C=CCCCNC1CCSC1 270004a_100000700776_100000212027 [0,0,0,1,0,0|3,0,0]=4 8434 B11R1.4 C=CCCCN[C@@H]1CCOC1 2230a_200015188469_100011713584 [0,0,0,1,0,0|3,0,0]=4 8435 B11R1.4 C=CCCCN[C@H]1CCOC1 2230a_100015188467_100011713584 [0,0,0,1,0,0|3,0,0]=4 8436 B11R1.4 C=CCCCN[C@H]1CCOC1 34a_100015188467_100000757094 [0,0,0,1,0,0|3,0,0]=4 8437 B11R1.4 C=CCCCOC1CCCC1 34a_100000210269_100000757094 [0,0,0,1,0,0|2,0,0]=3 8438 B11R1.4 C=CCCCOC1CCCC1 34a_100000758997_100000179811 [0,0,0,1,0,0|2,0,0]=3 8439 B11R1.4 C=CCCCOC1CCCC1 7a_100000210269_100000757094 [0,0,0,1,0,0|2,0,0]=3 8440 B11R1.4 C=CCCCOC1CCCC1 7a_100000758997_100000179811 [0,0,0,1,0,0|2,0,0]=3 8441 B11R1.4 C=CCCCOC1CCCO1 34a_100000085407_100000757094 [0,0,0,1,0,0|3,0,0]=4 8442 B11R1.4 C=CCCCOC1CCOC1 34a_100000758997_100000690089 [0,0,0,1,0,0|3,0,0]=4 8443 B11R1.4 C=CCCCOC1CCOC1 7a_100000758997_100000731011 [0,0,0,1,0,0|3,0,0]=4 8444 B11R1.4 C=CCCCOC1CCSC1 7a_100011232664_100000757094 [0,0,0,1,0,0|3,0,0]=4 8445 B11R1.4 C=CCCCO[C@H]1CCOC1 34a_100000717292_100000757094 [0,0,0,1,0,0|3,0,0]=4 8446 B11R1.4 C=CCCCSC1CCCC1 62a_100011217020_100000757094 [0,0,0,1,0,0|2,0,0]=3 8447 B11R1.4 C=CCCCSC1CCCC1 62a_100011713584_100000179811 [0,0,0,1,0,0|2,0,0]=3 8448 B11R1.4 C=CCCCSC1CCOC1 62a_100011713584_100000690089 [0,0,0,1,0,0|3,0,0]=4 8449 B11R1.4 C=CCCNCC1CCCC1 2230a_100000737975_100000754431 [0,0,0,1,0,0|2,0,0]=3 8450 B11R1.4 C=CCCNCC1CCCC1 2230a_100015191253_100000740388 [0,0,0,1,0,0|2,0,0]=3 8451 B11R1.4 C=CCCNCC1CCCC1 269862a_100015191253_100000746403 [0,0,0,1,0,0|2,0,0]=3 8452 B11R1.4 C=CCCNCC1CCCC1 34a_100000737975_100000754431 [0,0,0,1,0,0|2,0,0]=3 8453 B11R1.4 C=CCCNCC1CCCO1 2230a_100015191253_100000203698 [0,0,0,1,0,0|3,0,0]=4 8454 B11R1.4 C=CCCNCC1CCOC1 2230a_100000737293_100000754431 [0,0,0,1,0,0|3,0,0]=4 8455 B11R1.4 C=CCCNCC1CCOC1 2230a_100015191253_100000702531 [0,0,0,1,0,0|3,0,0]=4 8456 B11R1.4 C=CCCNCC1CCOC1 34a_100000737293_100000754431 [0,0,0,1,0,0|3,0,0]=4 8457 B11R1.4 C=CCCNC[C@@H]1CCCO1 2230a_100020590478_100000754431 [0,0,0,1,0,0|3,0,0]=4 8458 B11R1.4 C=CCCNC[C@@H]1CCCO1 34a_100020590478_100000754431 [0,0,0,1,0,0|3,0,0]=4 8459 B11R1.4 C=CCCOCC1CCCC1 34a_100000742336_100000754431 [0,0,0,1,0,0|2,0,0]=3 8460 B11R1.4 C=CCCOCC1CCCC1 34a_100011205117_100000740388 [0,0,0,1,0,0|2,0,0]=3 8461 B11R1.4 C=CCCOCC1CCCC1 7a_100000742336_100000754431 [0,0,0,1,0,0|2,0,0]=3 8462 B11R1.4 C=CCCOCC1CCCO1 34a_100000210270_100000754431 [0,0,0,1,0,0|3,0,0]=4 8463 B11R1.4 C=CCCOCC1CCCO1 7a_100000210270_100000754431 [0,0,0,1,0,0|3,0,0]=4 8464 B11R1.4 C=CCCOCC1CCNC1 34a_100000748654_100000754431 [0,0,0,1,0,0|3,0,0]=4 8465 B11R1.4 C=CCCOCC1CCOC1 34a_100000740260_100000754431 [0,0,0,1,0,0|3,0,0]=4 8466 B11R1.4 C=CCCOCC1CCOC1 34a_100011205117_100011261433 [0,0,0,1,0,0|3,0,0]=4 8467 B11R1.4 C=CCCOC[C@H]1CCCN1 34a_100000745186_100000754431 [0,0,0,1,0,0|3,0,0]=4 8468 B11R1.4 C=CCCSCC1CCCC1 62a_100000740388_100000754431 [0,0,0,1,0,0|2,0,0]=3 8469 B11R1.4 C=CCCSCC1CCCC1 62a_100000754431_100000740388 [0,0,0,1,0,0|2,0,0]=3 8470 B11R1.4 C=CCCSCC1CCCO1 62a_100000203698_100000754431 [0,0,0,1,0,0|3,0,0]=4 8471 B11R1.4 C=CCCSCC1CCCO1 62a_100000754431_100000203698 [0,0,0,1,0,0|3,0,0]=4 8472 B11R1.4 C=CCCSCC1CCOC1 62a_100000702531_100000754431 [0,0,0,1,0,0|3,0,0]=4 8473 B11R1.4 C=CCCSCC1CCOC1 62a_100000754431_100000702531 [0,0,0,1,0,0|3,0,0]=4 8474 B11R1.4 C=CCNCCC1CCCC1 2230a_100000739158_100000210623 [0,0,0,1,0,0|2,0,0]=3 8475 B11R1.4 C=CCNCCC1CCCC1 2230a_100020586998_100000760354 [0,0,0,1,0,0|2,0,0]=3 8476 B11R1.4 C=CCNCCC1CCCC1 34a_100000739158_100015514636 [0,0,0,1,0,0|2,0,0]=3 8477 B11R1.4 C=CCOCCC1CCCC1 34a_100000749090_100015514636 [0,0,0,1,0,0|2,0,0]=3 8478 B11R1.4 C=CCOCCC1CCCC1 34a_200000210373_100000760354 [0,0,0,1,0,0|2,0,0]=3 8479 B11R1.4 C=CCOCCC1CCCC1 7a_100000749090_100015514636 [0,0,0,1,0,0|2,0,0]=3 8480 B11R1.4 C=CCOCCC1CCNC1 34a_100016987287_100015514636 [0,0,0,1,0,0|3,0,0]=4 8481 B11R1.4 C=CCOCCC1CCOC1 34a_100011879284_100015514636 [0,0,0,1,0,0|3,0,0]=4 8482 B11R1.4 C=CCSCCC1CCCC1 62a_100000210623_100000760354 [0,0,0,1,0,0|2,0,0]=3 8483 B11R1.4 C=CCSCCC1CCCC1 62a_100000760354_100000210623 [0,0,0,1,0,0|2,0,0]=3 8484 B11R1.4 C=CCSCCN1CCCC1 62a_100000210623_100000004467 [0,0,0,1,0,0|3,0,0]=4 8485 B11R1.4 C=CCSCCN1CCCC1 62a_100000700749_100000210623 [0,0,0,1,0,0|3,0,0]=4 8486 B11R1.4 C=COCCNC1CCCC1 2230a_100000211070_100000039644 [0,0,0,1,0,0|3,0,0]=4 8487 B11R1.4 C=COCCNC1CCCC1 34a_100000211070_100000039644 [0,0,0,1,0,0|3,0,0]=4 8488 B11R1.4 C=COCCOC1CCCC1 34a_100000033082_100000179811 [0,0,0,1,0,0|3,0,0]=4 8489 B11R1.4 C=COCCOC1CCCC1 34a_100000210269_100000039644 [0,0,0,1,0,0|3,0,0]=4 8490 B11R1.4 C=COCCOC1CCCC1 7a_100000210269_100000039644 [0,0,0,1,0,0|3,0,0]=4 8491 B11R1.4 C=COCCSC1CCCC1 62a_100000039644_100000179811 [0,0,0,1,0,0|3,0,0]=4 8492 B11R1.4 C=COCCSC1CCCC1 62a_100011217020_100000039644 [0,0,0,1,0,0|3,0,0]=4 8493 B11R1.4 CC=CCNCC1CCCC1 2230a_100000737975_100000070051 [0,0,0,1,0,0|2,0,1]=4 8494 B11R1.4 CC=CCNCC1CCCC1 34a_100000737975_100000070051 [0,0,0,1,0,0|2,0,1]=4 8495 B11R1.4 CC=CCOCC1CCCC1 34a_100000742336_100000070051 [0,0,0,1,0,0|2,0,1]=4 8496 B11R1.4 CC=CCOCC1CCCC1 7a_100000742336_100000070051 [0,0,0,1,0,0|2,0,1]=4 8497 B11R1.4 CC=CCSCC1CCCC1 62a_100000070051_100000740388 [0,0,0,1,0,0|2,0,1]=4 8498 B11R1.4 CC=CCSCC1CCCC1 62a_100000740388_100000070051 [0,0,0,1,0,0|2,0,1]=4 8499 B11R1.4 CCCCCCN1CC=CC1 269982a_100015195280_100000210757 [0,0,0,1,0,0|2,0,1]=4 8500 B11R1.4 CCCCCCN1CCCC1 2230a_100000188435_100000210314 [0,0,0,1,0,0|2,0,1]=4 8501 B11R1.4 CCCCCCN1CCCC1 269982a_100000188435_100000210757 [0,0,0,1,0,0|2,0,1]=4 8502 B11R1.4 CCCCCCN1CCSC1 2230a_100011215254_100000210314 [0,0,0,1,0,0|3,0,0]=4 8503 B11R1.4 CCCCCCN1CCSC1 269982a_100011215254_100000210757 [0,0,0,1,0,0|3,0,0]=4 8504 B11R1.4 CCCCCNC1CC=CC1 2230a_100015188752_100000210326 [0,0,0,1,0,0|2,0,1]=4 8505 B11R1.4 CCCCCNC1CCCC1 2230a_100000209983_100000179811 [0,0,0,1,0,0|2,0,1]=4 8506 B11R1.4 CCCCCNC1CCCC1 2230a_100000211070_100000210326 [0,0,0,1,0,0|2,0,1]=4 8507 B11R1.4 CCCCCNC1CCCC1 270004a_100000209983_100000210133 [0,0,0,1,0,0|2,0,1]=4 8508 B11R1.4 CCCCCNC1CCCC1 34a_100000211070_100000718602 [0,0,0,1,0,0|2,0,1]=4 8509 B11R1.4 CCCCCNC1CCOC1 2230a_100000209983_100000731011 [0,0,0,1,0,0|3,0,0]=4 8510 B11R1.4 CCCCCNC1CCOC1 270004a_100000209983_100000752484 [0,0,0,1,0,0|3,0,0]=4 8511 B11R1.4 CCCCCNC1CCSC1 270004a_100000209983_100000212027 [0,0,0,1,0,0|3,0,0]=4 8512 B11R1.4 CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210326 [0,0,0,1,0,0|3,0,0]=4 8513 B11R1.4 CCCCCN[C@H]1CCOC1 2230a_100015188467_100000210326 [0,0,0,1,0,0|3,0,0]=4 8514 B11R1.4 CCCCCN[C@H]1CCOC1 34a_100015188467_100000718602 [0,0,0,1,0,0|3,0,0]=4 8515 B11R1.4 CCCCCOC1CCCC1 34a_100000210253_100000179811 [0,0,0,1,0,0|2,0,1]=4 8516 B11R1.4 CCCCCOC1CCCC1 34a_100000210269_100000718602 [0,0,0,1,0,0|2,0,1]=4 8517 B11R1.4 CCCCCOC1CCCC1 7a_100000210253_100000179811 [0,0,0,1,0,0|2,0,1]=4 8518 B11R1.4 CCCCCOC1CCCC1 7a_100000210269_100000210326 [0,0,0,1,0,0|2,0,1]=4 8519 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [0,0,0,1,0,0|1,0,2]=4 8520 B11R1.4 CCCCCOC1CCOC1 34a_100000210253_100000690089 [0,0,0,1,0,0|3,0,0]=4 8521 B11R1.4 CCCCCOC1CCOC1 7a_100000210253_100000731011 [0,0,0,1,0,0|3,0,0]=4 8522 B11R1.4 CCCCCOC1CCSC1 7a_100011232664_100000210326 [0,0,0,1,0,0|3,0,0]=4 8523 B11R1.4 CCCCCO[C@H]1CCOC1 34a_100000717292_100000718602 [0,0,0,1,0,0|3,0,0]=4 8524 B11R1.4 CCCCCSC1CCCC1 62a_100000210326_100000179811 [0,0,0,1,0,0|2,0,1]=4 8525 B11R1.4 CCCCCSC1CCCC1 62a_100011217020_100000210326 [0,0,0,1,0,0|2,0,1]=4 8526 B11R1.4 CCCCCSC1CCOC1 62a_100000210326_100000690089 [0,0,0,1,0,0|3,0,0]=4 8527 B11R1.4 CCCCNCC1CCCC1 2230a_100000102301_100000740388 [0,0,0,1,0,0|2,0,1]=4 8528 B11R1.4 CCCCNCC1CCCC1 2230a_100000737975_100000210211 [0,0,0,1,0,0|2,0,1]=4 8529 B11R1.4 CCCCNCC1CCCC1 269862a_100000102301_100000746403 [0,0,0,1,0,0|2,0,1]=4 8530 B11R1.4 CCCCNCC1CCCC1 34a_100000737975_100000210210 [0,0,0,1,0,0|2,0,1]=4 8531 B11R1.4 CCCCNCC1CCCC1 7a_106832991798_100000740388 [0,0,0,1,0,0|2,0,1]=4 8532 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [0,0,0,1,0,0|1,0,2]=4 8533 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [0,0,0,1,0,0|1,0,2]=4 8534 B11R1.4 CCCCNCC1CCOC1 2230a_100000102301_100000702531 [0,0,0,1,0,0|3,0,0]=4 8535 B11R1.4 CCCCNCC1CCOC1 2230a_100000737293_100000210211 [0,0,0,1,0,0|3,0,0]=4 8536 B11R1.4 CCCCNCC1CCOC1 34a_100000737293_100000210210 [0,0,0,1,0,0|3,0,0]=4 8537 B11R1.4 CCCCNCC1CCOC1 7a_106832991798_100000702531 [0,0,0,1,0,0|3,0,0]=4 8538 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [0,0,0,1,0,0|1,0,2]=4 8539 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [0,0,0,1,0,0|1,0,2]=4 8540 B11R1.4 CCCCOCC1CC=CC1 34a_100000688395_100000210210 [0,0,0,1,0,0|2,0,1]=4 8541 B11R1.4 CCCCOCC1CCCC1 34a_100000210227_100000740388 [0,0,0,1,0,0|2,0,1]=4 8542 B11R1.4 CCCCOCC1CCCC1 34a_100000742336_100000210210 [0,0,0,1,0,0|2,0,1]=4 8543 B11R1.4 CCCCOCC1CCCC1 7a_100000210227_100000740388 [0,0,0,1,0,0|2,0,1]=4 8544 B11R1.4 CCCCOCC1CCCC1 7a_100000742336_100000210211 [0,0,0,1,0,0|2,0,1]=4 8545 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [0,0,0,1,0,0|1,0,2]=4 8546 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [0,0,0,1,0,0|1,0,2]=4 8547 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [0,0,0,1,0,0|1,0,2]=4 8548 B11R1.4 CCCCOCC1CCNC1 34a_100000748654_100000210210 [0,0,0,1,0,0|3,0,0]=4 8549 B11R1.4 CCCCOCC1CCOC1 34a_100000210227_100011261433 [0,0,0,1,0,0|3,0,0]=4 8550 B11R1.4 CCCCOCC1CCOC1 34a_100000740260_100000210210 [0,0,0,1,0,0|3,0,0]=4 8551 B11R1.4 CCCCOCC1CCOC1 7a_100000210227_100000702531 [0,0,0,1,0,0|3,0,0]=4 8552 B11R1.4 CCCCOC[C@H]1CCCN1 34a_100000745186_100000210210 [0,0,0,1,0,0|2,0,1]=4 8553 B11R1.4 CCCCSCC1CCCC1 62a_100000210211_100000740388 [0,0,0,1,0,0|2,0,1]=4 8554 B11R1.4 CCCCSCC1CCCC1 62a_100000740388_100000210210 [0,0,0,1,0,0|2,0,1]=4 8555 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [0,0,0,1,0,0|1,0,2]=4 8556 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [0,0,0,1,0,0|1,0,2]=4 8557 B11R1.4 CCCCSCC1CCOC1 62a_100000210211_100000702531 [0,0,0,1,0,0|3,0,0]=4 8558 B11R1.4 CCCCSCC1CCOC1 62a_100000702531_100000210210 [0,0,0,1,0,0|3,0,0]=4 8559 B11R1.4 CCCNCCC1CCCC1 2230a_100000739158_100000210303 [0,0,0,1,0,0|2,0,1]=4 8560 B11R1.4 CCCNCCC1CCCC1 34a_100000739158_100000210303 [0,0,0,1,0,0|2,0,1]=4 8561 B11R1.4 CCCOCCC1CCCC1 34a_100000210258_100000760354 [0,0,0,1,0,0|2,0,1]=4 8562 B11R1.4 CCCOCCC1CCCC1 34a_100000749090_100000210303 [0,0,0,1,0,0|2,0,1]=4 8563 B11R1.4 CCCOCCC1CCCC1 7a_100000749090_100000210303 [0,0,0,1,0,0|2,0,1]=4 8564 B11R1.4 CCCOCCC1CCNC1 34a_100016987287_100000210303 [0,0,0,1,0,0|3,0,0]=4 8565 B11R1.4 CCCOCCC1CCOC1 34a_100011879284_100000210303 [0,0,0,1,0,0|3,0,0]=4 8566 B11R1.4 CCCSCCC1CCCC1 62a_100000210303_100000760354 [0,0,0,1,0,0|2,0,1]=4 8567 B11R1.4 CCCSCCC1CCCC1 62a_100000760354_100000210303 [0,0,0,1,0,0|2,0,1]=4 8568 B11R1.4 CCNCCCC1CCCC1 2230a_100000736752_100000210202 [0,0,0,1,0,0|2,0,1]=4 8569 B11R1.4 CCNCCCC1CCCC1 2230a_100015525214_100011713738 [0,0,0,1,0,0|2,0,1]=4 8570 B11R1.4 CCNCCCC1CCCC1 34a_100000736752_100000210202 [0,0,0,1,0,0|2,0,1]=4 8571 B11R1.4 CCOCCCC1CCCC1 34a_100011215328_100000210202 [0,0,0,1,0,0|2,0,1]=4 8572 B11R1.4 CCOCCCC1CCCC1 34a_100121572206_100011713738 [0,0,0,1,0,0|2,0,1]=4 8573 B11R1.4 CCOCCCC1CCCC1 7a_100011215328_100000210202 [0,0,0,1,0,0|2,0,1]=4 8574 B11R1.4 CCSCCCC1CCCC1 62a_100000210202_100011713738 [0,0,0,1,0,0|2,0,1]=4 8575 B11R1.4 CCSCCCC1CCCC1 62a_100011713738_100000210202 [0,0,0,1,0,0|2,0,1]=4 8576 B11R1.4 CNCCCOC1CCCC1 34a_100000213112_100000179811 [0,0,0,1,0,0|3,0,0]=4 8577 B11R1.4 CNCCCOC1CCCC1 34a_100000747560_200000210301 [0,0,0,1,0,0|3,0,0]=4 8578 B11R1.4 COCCCCN1CCCC1 2230a_100000188435_100000730899 [0,0,0,1,0,0|3,0,0]=4 8579 B11R1.4 COCCCCN1CCCC1 269982a_100000188435_100000730899 [0,0,0,1,0,0|3,0,0]=4 8580 B11R1.4 COCCCNC1CCCC1 2230a_100000211070_100000740836 [0,0,0,1,0,0|3,0,0]=4 8581 B11R1.4 COCCCNC1CCCC1 270004a_100150723488_100000210133 [0,0,0,1,0,0|3,0,0]=4 8582 B11R1.4 COCCCNC1CCCC1 34a_100000211070_100000740836 [0,0,0,1,0,0|3,0,0]=4 8583 B11R1.4 COCCCNC1CCCC1 34a_100150723488_100000179811 [0,0,0,1,0,0|3,0,0]=4 8584 B11R1.4 COCCCOC1CCCC1 34a_100000210269_100000740836 [0,0,0,1,0,0|3,0,0]=4 8585 B11R1.4 COCCCOC1CCCC1 34a_100000740835_100000179811 [0,0,0,1,0,0|3,0,0]=4 8586 B11R1.4 COCCCOC1CCCC1 7a_100000210269_100000740836 [0,0,0,1,0,0|3,0,0]=4 8587 B11R1.4 COCCCSC1CCCC1 62a_100000709357_100000179811 [0,0,0,1,0,0|3,0,0]=4 8588 B11R1.4 COCCCSC1CCCC1 62a_100011217020_100000709357 [0,0,0,1,0,0|3,0,0]=4 8589 B11R1.4 COCCNCC1CCCC1 2230a_100000209980_100000740388 [0,0,0,1,0,0|3,0,0]=4 8590 B11R1.4 COCCNCC1CCCC1 2230a_100000737975_100011201679 [0,0,0,1,0,0|3,0,0]=4 8591 B11R1.4 COCCNCC1CCCC1 269862a_100000209980_100000746403 [0,0,0,1,0,0|3,0,0]=4 8592 B11R1.4 COCCNCC1CCCC1 34a_100000737975_100011201679 [0,0,0,1,0,0|3,0,0]=4 8593 B11R1.4 COCCOCC1CCCC1 34a_100000210237_100000740388 [0,0,0,1,0,0|3,0,0]=4 8594 B11R1.4 COCCOCC1CCCC1 34a_100000742336_100011201679 [0,0,0,1,0,0|3,0,0]=4 8595 B11R1.4 COCCOCC1CCCC1 7a_100000742336_100000233755 [0,0,0,1,0,0|3,0,0]=4 8596 B11R1.4 COCCSCC1CCCC1 62a_100000233755_100000740388 [0,0,0,1,0,0|3,0,0]=4 8597 B11R1.4 COCCSCC1CCCC1 62a_100000740388_100000233755 [0,0,0,1,0,0|3,0,0]=4 8598 B11R1.4 COCNCCC1CCCC1 2230a_100000739158_100000766300 [0,0,0,1,0,0|3,0,0]=4 8599 B11R1.4 COCSCCC1CCCC1 62a_100000760354_100000766300 [0,0,0,1,0,0|3,0,0]=4 8600 B11R1.4 COCSCCC1CCCC1 62a_100000766300_100000760354 [0,0,0,1,0,0|3,0,0]=4 8601 B11R1.4 CSCCCNC1CCCC1 2230a_100000749238_100000179811 [0,0,0,1,0,0|3,0,0]=4 8602 B11R1.4 CSCCCNC1CCCC1 270004a_100000749238_100000210133 [0,0,0,1,0,0|3,0,0]=4 8603 B11R1.4 CSCCCOC1CCCC1 34a_100000690336_100000179811 [0,0,0,1,0,0|3,0,0]=4 8604 B11R1.4 CSCCCOC1CCCC1 7a_100000690336_100000179811 [0,0,0,1,0,0|3,0,0]=4 8605 B11R1.4 CSCCNCC1CCCC1 2230a_100000737975_100000751147 [0,0,0,1,0,0|3,0,0]=4 8606 B11R1.4 CSCCNCC1CCCC1 2230a_100020590264_100000740388 [0,0,0,1,0,0|3,0,0]=4 8607 B11R1.4 CSCCNCC1CCCC1 269862a_100020590264_100000746403 [0,0,0,1,0,0|3,0,0]=4 8608 B11R1.4 CSCCNCC1CCCC1 34a_100000737975_100000212216 [0,0,0,1,0,0|3,0,0]=4 8609 B11R1.4 CSCCOCC1CCCC1 34a_100000230434_100000740388 [0,0,0,1,0,0|3,0,0]=4 8610 B11R1.4 CSCCOCC1CCCC1 34a_100000742336_100000212216 [0,0,0,1,0,0|3,0,0]=4 8611 B11R1.4 CSCCOCC1CCCC1 7a_100000230434_100000740388 [0,0,0,1,0,0|3,0,0]=4 8612 B11R1.4 CSCCOCC1CCCC1 7a_100000742336_100000212216 [0,0,0,1,0,0|3,0,0]=4 8613 B11R1.4 CSCCSCC1CCCC1 62a_100000212216_100000740388 [0,0,0,1,0,0|3,0,0]=4 8614 B11R1.4 CSCCSCC1CCCC1 62a_100000740388_100000751147 [0,0,0,1,0,0|3,0,0]=4 8615 B11R1.4 CSCNCCC1CCCC1 2230a_100000739158_100011218213 [0,0,0,1,0,0|3,0,0]=4 8616 B11R1.4 CSCNCCC1CCCC1 34a_100000739158_100011218213 [0,0,0,1,0,0|3,0,0]=4 8617 B11R1.4 CSCOCCC1CCCC1 34a_100000749090_100011218213 [0,0,0,1,0,0|3,0,0]=4 8618 B11R1.4 CSCSCCC1CCCC1 62a_100000760354_100011218213 [0,0,0,1,0,0|3,0,0]=4 8619 B11R1.4 CSCSCCC1CCCC1 62a_100011218213_100000760354 [0,0,0,1,0,0|3,0,0]=4 8620 B11R1.4 ClCCCCOC1CCCC1 34a_100000210776_100000179811 [0,0,0,1,0,0|2,0,1]=4 8621 B11R1.4 ClCCCCOC1CCCC1 7a_100000210776_100000179811 [0,0,0,1,0,0|2,0,1]=4 8622 B11R1.4 ClCCCOCC1CCCC1 34a_100000230001_100000740388 [0,0,0,1,0,0|2,0,1]=4 8623 B11R1.4 FCCCCCN1CCCC1 2230a_100000188435_100000729378 [0,0,0,1,0,0|2,0,1]=4 8624 B11R1.4 FCCCCCN1CCCC1 269982a_100000188435_100000729378 [0,0,0,1,0,0|2,0,1]=4 8625 B11R1.4 FCCCCNC1CCCC1 2230a_100000211070_100000729493 [0,0,0,1,0,0|2,0,1]=4 8626 B11R1.4 FCCCCNC1CCCC1 34a_100000211070_100000729493 [0,0,0,1,0,0|2,0,1]=4 8627 B11R1.4 FCCCCOC1CCCC1 34a_100000210269_100000729493 [0,0,0,1,0,0|2,0,1]=4 8628 B11R1.4 FCCCCOC1CCCC1 34a_100011995726_100000179811 [0,0,0,1,0,0|2,0,1]=4 8629 B11R1.4 FCCCCOC1CCCC1 7a_100000210269_100000729493 [0,0,0,1,0,0|2,0,1]=4 8630 B11R1.4 FCCCCOC1CCCC1 7a_100011995726_100000179811 [0,0,0,1,0,0|2,0,1]=4 8631 B11R1.4 FCCCCSC1CCCC1 62a_100000729493_100000179811 [0,0,0,1,0,0|2,0,1]=4 8632 B11R1.4 FCCCCSC1CCCC1 62a_100011217020_100000729493 [0,0,0,1,0,0|2,0,1]=4 8633 B11R1.4 FCCCNCC1CCCC1 2230a_100000737975_100011934791 [0,0,0,1,0,0|2,0,1]=4 8634 B11R1.4 FCCCNCC1CCCC1 2230a_100015189416_100000740388 [0,0,0,1,0,0|2,0,1]=4 8635 B11R1.4 FCCCNCC1CCCC1 269862a_100015189416_100000746403 [0,0,0,1,0,0|2,0,1]=4 8636 B11R1.4 FCCCNCC1CCCC1 34a_100000737975_100011934791 [0,0,0,1,0,0|2,0,1]=4 8637 B11R1.4 FCCCNCC1CCCC1 34a_100015189416_100000740388 [0,0,0,1,0,0|2,0,1]=4 8638 B11R1.4 FCCCOCC1CCCC1 34a_100000742336_100011934791 [0,0,0,1,0,0|2,0,1]=4 8639 B11R1.4 FCCCOCC1CCCC1 34a_100000759539_100000740388 [0,0,0,1,0,0|2,0,1]=4 8640 B11R1.4 FCCCOCC1CCCC1 7a_100000742336_100011934791 [0,0,0,1,0,0|2,0,1]=4 8641 B11R1.4 FCCCSCC1CCCC1 62a_100000740388_100011934791 [0,0,0,1,0,0|2,0,1]=4 8642 B11R1.4 FCCCSCC1CCCC1 62a_100011934791_100000740388 [0,0,0,1,0,0|2,0,1]=4 8643 B11R1.4 FCCNCCC1CCCC1 2230a_100000739158_100011217306 [0,0,0,1,0,0|2,0,1]=4 8644 B11R1.4 FCCNCCC1CCCC1 34a_100000724931_100000760354 [0,0,0,1,0,0|2,0,1]=4 8645 B11R1.4 FCCNCCC1CCCC1 34a_100000739158_100011217306 [0,0,0,1,0,0|2,0,1]=4 8646 B11R1.4 FCCOCCC1CCCC1 34a_100000749090_100011217306 [0,0,0,1,0,0|2,0,1]=4 8647 B11R1.4 FCCOCCC1CCCC1 7a_100000749090_100011217306 [0,0,0,1,0,0|2,0,1]=4 8648 B11R1.4 FCCSCCC1CCCC1 62a_100000760354_100011217306 [0,0,0,1,0,0|2,0,1]=4 8649 B11R1.4 FCCSCCC1CCCC1 62a_100011217306_100000760354 [0,0,0,1,0,0|2,0,1]=4 8650 B11R1.4 FCNCCCC1CCCC1 34a_100000736752_100015361967 [0,0,0,1,0,0|2,0,1]=4 8651 B11R1.4 FCOCCCC1CCCC1 34a_100011215328_100015361967 [0,0,0,1,0,0|2,0,1]=4 8652 B11R1.4 FCOCCCC1CCCC1 7a_100011215328_100015361967 [0,0,0,1,0,0|2,0,1]=4 8653 B11R1.4 FCSCCCC1CCCC1 62a_100011713738_100015361967 [0,0,0,1,0,0|2,0,1]=4 8654 B11R1.4 FCSCCCC1CCCC1 62a_100015361967_100011713738 [0,0,0,1,0,0|2,0,1]=4 8655 B11R1.4 ICCCCOC1CCCC1 34a_200012148704_100000179811 [0,0,0,1,0,0|2,0,1]=4 8656 B11R1.4 N#CCCCCN1CCCC1 2230a_100000188435_100000211819 [0,0,0,1,0,0|2,0,1]=4 8657 B11R1.4 N#CCCCCN1CCCC1 269982a_100000188435_100011219923 [0,0,0,1,0,0|2,0,1]=4 8658 B11R1.4 N#CCCCNC1CCCC1 2230a_100000211070_100000687738 [0,0,0,1,0,0|2,0,1]=4 8659 B11R1.4 N#CCCCOC1CCCC1 7a_100000210269_100000687738 [0,0,0,1,0,0|2,0,1]=4 8660 B11R1.4 N#CCCCSC1CCCC1 62a_100000687738_100000179811 [0,0,0,1,0,0|2,0,1]=4 8661 B11R1.4 N#CCCCSC1CCCC1 62a_100011217020_100000687738 [0,0,0,1,0,0|2,0,1]=4 8662 B11R1.4 N#CCCNCC1CCCC1 2230a_100000737975_100011215226 [0,0,0,1,0,0|2,0,1]=4 8663 B11R1.4 N#CCCOCC1CCCC1 7a_100000742336_100000184422 [0,0,0,1,0,0|2,0,1]=4 8664 B11R1.4 N#CCCSCC1CCCC1 62a_100000740388_100011215226 [0,0,0,1,0,0|2,0,1]=4 8665 B11R1.4 N#CCCSCC1CCCC1 62a_100011215226_100000740388 [0,0,0,1,0,0|2,0,1]=4 8666 B11R1.4 N#CCNCCC1CCCC1 2230a_100000739158_100011215382 [0,0,0,1,0,0|2,0,1]=4 8667 B11R1.4 N#CCOCCC1CCCC1 7a_100000749090_100011215382 [0,0,0,1,0,0|2,0,1]=4 8668 B11R1.4 N#CCSCCC1CCCC1 62a_100000760354_100011215382 [0,0,0,1,0,0|2,0,1]=4 8669 B11R1.4 N#CCSCCC1CCCC1 62a_100011215382_100000760354 [0,0,0,1,0,0|2,0,1]=4 8670 B11R1.4 NCCCCOC1CCCC1 34a_100000750430_100000179811 [0,0,0,1,0,0|2,0,1]=4 8671 B11R1.4 NCCCOCC1CCCC1 34a_100000182051_100000740388 [0,0,0,1,0,0|2,0,1]=4 8672 B11R1.4 NCCOCCC1CCCC1 34a_100000210304_100000760354 [0,0,0,1,0,0|2,0,1]=4 8673 B11R1.4 NOCCOCC1CCCC1 34a_100000700252_100000740388 [0,0,0,1,0,0|3,0,0]=4 8674 B11R1.4 O=CCCCCN1CC=CC1 269982a_100015195280_100000139335 [0,0,0,1,0,0|1,0,2]=4 8675 B11R1.4 O=CCCCCN1CCCC1 2230a_100000188435_100000139335 [0,0,0,1,0,0|1,0,0]=2 8676 B11R1.4 O=CCCCCN1CCCC1 269982a_100000188435_100000139335 [0,0,0,1,0,0|1,0,0]=2 8677 B11R1.4 O=CCCCCN1CCSC1 2230a_100011215254_100000139335 [0,0,0,1,0,0|2,0,0]=3 8678 B11R1.4 O=CCCCCN1CCSC1 269982a_100011215254_100000139335 [0,0,0,1,0,0|2,0,0]=3 8679 B11R1.4 O=CCCCNC1CC=CC1 2230a_100015188752_200011292268 [0,0,0,1,0,0|1,0,2]=4 8680 B11R1.4 O=CCCCNC1CCCC1 2230a_100000211070_200011292268 [0,0,0,1,0,0|1,0,0]=2 8681 B11R1.4 O=CCCCN[C@@H]1CCOC1 2230a_200015188469_200011292268 [0,0,0,1,0,0|2,0,0]=3 8682 B11R1.4 O=CCCCN[C@H]1CCOC1 2230a_100015188467_200011292268 [0,0,0,1,0,0|2,0,0]=3 8683 B11R1.4 O=CCCCOC1CCCC1 7a_100000210269_200011292268 [0,0,0,1,0,0|1,0,0]=2 8684 B11R1.4 O=CCCCOC1CCSC1 7a_100011232664_200011292268 [0,0,0,1,0,0|2,0,0]=3 8685 B11R1.4 O=CCCCSC1CCCC1 62a_100011217020_200011292268 [0,0,0,1,0,0|1,0,0]=2 8686 B11R1.4 O=CCCCSC1CCCC1 62a_200011292268_100000179811 [0,0,0,1,0,0|1,0,0]=2 8687 B11R1.4 O=CCCCSC1CCOC1 62a_200011292268_100000690089 [0,0,0,1,0,0|2,0,0]=3 8688 B11R1.4 O=CCNCCC1CCCC1 2230a_100000739158_200015260668 [0,0,0,1,0,0|1,0,0]=2 8689 B11R1.4 O=CCNCCC1CCCC1 34a_100000739158_200009817547 [0,0,0,1,0,0|1,0,0]=2 8690 B11R1.4 O=CCNCCC1OCCO1 2230a_100000034215_200015260668 [0,0,0,1,0,0|3,0,0]=4 8691 B11R1.4 O=CCNCCC1OCCO1 34a_100000034215_200009817547 [0,0,0,1,0,0|3,0,0]=4 8692 B11R1.4 O=CCOCCC1CCCC1 34a_100000749090_200009817547 [0,0,0,1,0,0|1,0,0]=2 8693 B11R1.4 O=CCOCCC1CCCC1 7a_100000749090_200015260668 [0,0,0,1,0,0|1,0,0]=2 8694 B11R1.4 O=CCOCCC1CCNC1 34a_100016987287_200009817547 [0,0,0,1,0,0|2,0,0]=3 8695 B11R1.4 O=CCOCCC1CCOC1 34a_100011879284_200009817547 [0,0,0,1,0,0|2,0,0]=3 8696 B11R1.4 O=CCSCCC1CCCC1 62a_100000760354_200015260668 [0,0,0,1,0,0|1,0,0]=2 8697 B11R1.4 O=CCSCCC1CCCC1 62a_200015260668_100000760354 [0,0,0,1,0,0|1,0,0]=2 8698 B11R1.4 O=CCSCCC1OCCO1 62a_200015260668_100000740749 [0,0,0,1,0,0|3,0,0]=4 8699 B11R1.4 O=CCSCCN1CCCC1 62a_100000700749_200015260668 [0,0,0,1,0,0|2,0,0]=3 8700 B11R1.4 O=CCSCCN1CCCC1 62a_200015260668_100000004467 [0,0,0,1,0,0|2,0,0]=3 8701 B11R1.4 OCCCCCN1CCCC1 2230a_100000188435_100000746330 [0,0,0,1,0,0|1,0,2]=4 8702 B11R1.4 OCCCCCN1CCCC1 269982a_100000188435_100000746330 [0,0,0,1,0,0|1,0,2]=4 8703 B11R1.4 OCCCCNC1CCCC1 2230a_100000211070_100000210776 [0,0,0,1,0,0|1,0,2]=4 8704 B11R1.4 OCCCCNC1CCCC1 2230a_100000750430_100000179811 [0,0,0,1,0,0|1,0,2]=4 8705 B11R1.4 OCCCCNC1CCCC1 270004a_100000750430_100000210133 [0,0,0,1,0,0|1,0,2]=4 8706 B11R1.4 OCCCCNC1CCCC1 34a_100000211070_100011216708 [0,0,0,1,0,0|1,0,2]=4 8707 B11R1.4 OCCCCNC1CCCC1 34a_100000750430_100000179811 [0,0,0,1,0,0|1,0,2]=4 8708 B11R1.4 OCCCCOC1CCCC1 34a_100000210269_100011216708 [0,0,0,1,0,0|1,0,2]=4 8709 B11R1.4 OCCCCOC1CCCC1 7a_100000210269_100000210776 [0,0,0,1,0,0|1,0,2]=4 8710 B11R1.4 OCCCCSC1CCCC1 62a_100000210776_100000179811 [0,0,0,1,0,0|1,0,2]=4 8711 B11R1.4 OCCCCSC1CCCC1 62a_100011217020_100000210776 [0,0,0,1,0,0|1,0,2]=4 8712 B11R1.4 OCCCNCC1CCCC1 2230a_100000737975_100000230001 [0,0,0,1,0,0|1,0,2]=4 8713 B11R1.4 OCCCNCC1CCCC1 269862a_100000182051_100000746403 [0,0,0,1,0,0|1,0,2]=4 8714 B11R1.4 OCCCNCC1CCCC1 34a_100000737975_100000230001 [0,0,0,1,0,0|1,0,2]=4 8715 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [0,0,0,1,0,0|1,0,2]=4 8716 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [0,0,0,1,0,0|1,0,2]=4 8717 B11R1.4 OCCCSCC1CCCC1 62a_100000740388_100011215043 [0,0,0,1,0,0|1,0,2]=4 8718 B11R1.4 OCCCSCC1CCCC1 62a_100011215043_100000740388 [0,0,0,1,0,0|1,0,2]=4 8719 B11R1.4 OCCNCCC1CCCC1 2230a_100000739158_100000211926 [0,0,0,1,0,0|1,0,2]=4 8720 B11R1.4 OCCNCCC1CCCC1 2230a_100016997473_100000760354 [0,0,0,1,0,0|1,0,2]=4 8721 B11R1.4 OCCNCCC1CCCC1 34a_100000739158_100000211926 [0,0,0,1,0,0|1,0,2]=4 8722 B11R1.4 OCCNCCC1CCCC1 34a_100016990907_100000760354 [0,0,0,1,0,0|1,0,2]=4 8723 B11R1.4 OCCOCCC1CCCC1 34a_100000749090_100000211926 [0,0,0,1,0,0|1,0,2]=4 8724 B11R1.4 OCCOCCC1CCCC1 7a_100000749090_100000211926 [0,0,0,1,0,0|1,0,2]=4 8725 B11R1.4 OCCSCCC1CCCC1 62a_100000211926_100000760354 [0,0,0,1,0,0|1,0,2]=4 8726 B11R1.4 OCCSCCC1CCCC1 62a_100000760354_100000211926 [0,0,0,1,0,0|1,0,2]=4 8727 B11R1.4 [13CH3]NCCCOC1CCCC1 34a_100000747560_200025704644 [0,0,0,1,0,0|3,0,0]=4 8728 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [0,0,0,1,0,0|2,0,0]=3 8729 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [0,0,0,1,0,0|2,0,0]=3 8730 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [0,0,0,1,0,0|2,0,0]=3 8731 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [0,0,0,1,0,0|1,0,0]=2 8732 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [0,0,0,1,0,0|1,0,0]=2 8733 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [0,0,0,1,0,0|2,0,0]=3 8734 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [0,0,0,1,0,0|2,0,0]=3 8735 B11R1.5 O=C1CCCCCC1SCF 62a_100000243696_100015361967 [0,0,0,1,0,0|2,0,0]=3 8736 B11R1.5 O=C1CCCCCC1SCF 62a_100015361967_100000243696 [0,0,0,1,0,0|2,0,0]=3 8737 B11R1.5 O=C1NCCCCC1NCF 34a_100000698827_100015361967 [0,0,0,1,0,0|3,0,0]=4 8738 B11R1.5 O=C1NCCCCC1SCF 62a_100000735217_100015361967 [0,0,0,1,0,0|3,0,0]=4 8739 B11R1.5 O=C1NCCCCC1SCF 62a_100015361967_100000735217 [0,0,0,1,0,0|3,0,0]=4 8740 B11R1.17 C#CCCN1CCCCC1C 2230a_100000211376_100000688953 [0,0,0,1,0,0|2,0,1]=4 8741 B11R1.17 C#CCCN1CCCCC1C 269982a_100000211376_100000730999 [0,0,0,1,0,0|2,0,1]=4 8742 B11R1.17 C#CCCN1CCCCC1C 34a_100000211376_100000688953 [0,0,0,1,0,0|2,0,1]=4 8743 B11R1.17 C#CCNC1CCCCC1=O 34a_100000212058_100000754470 [0,0,0,1,0,0|1,0,2]=4 8744 B11R1.17 C#CCNC1CCCCC1C 2230a_100000211402_100000038162 [0,0,0,1,0,0|2,0,1]=4 8745 B11R1.17 C#CCNC1CCCCC1C 34a_100000211402_100000184674 [0,0,0,1,0,0|2,0,1]=4 8746 B11R1.17 C#CCOC1CCCCC1=O 34a_100000210247_100000754470 [0,0,0,1,0,0|1,0,2]=4 8747 B11R1.17 C#CCOC1CCCCC1=O 34a_100011214950_100000184674 [0,0,0,1,0,0|1,0,2]=4 8748 B11R1.17 C#CCOC1CCCCC1C 34a_100000211207_100000184674 [0,0,0,1,0,0|2,0,1]=4 8749 B11R1.17 C#CCOC1CCCCC1C 7a_100000211207_100000038162 [0,0,0,1,0,0|2,0,1]=4 8750 B11R1.17 C#CCSC1CCCCC1=O 62a_100000038162_100000204591 [0,0,0,1,0,0|1,0,2]=4 8751 B11R1.17 C/C=C/CN1CCCCC1C 269982a_100000211376_100102629194 [0,0,0,1,0,0|2,0,1]=4 8752 B11R1.17 C/C=C/CN1CCCCC1C 34a_100000211376_100102629194 [0,0,0,1,0,0|2,0,1]=4 8753 B11R1.17 C=CCCN1CCCCC1C 2230a_100000211376_100000754431 [0,0,0,1,0,0|2,0,0]=3 8754 B11R1.17 C=CCCN1CCCCC1C 269982a_100000211376_100000754431 [0,0,0,1,0,0|2,0,0]=3 8755 B11R1.17 C=CCCN1CCCCC1C 34a_100000211376_100000754431 [0,0,0,1,0,0|2,0,0]=3 8756 B11R1.17 C=CCCN1CCOC[C@@H]1C 2230a_100009815349_100000754431 [0,0,0,1,0,0|3,0,0]=4 8757 B11R1.17 C=CCCN1CCOC[C@@H]1C 269982a_100009815349_100000754431 [0,0,0,1,0,0|3,0,0]=4 8758 B11R1.17 C=CCCN1CCOC[C@@H]1C 34a_100009815349_100000754431 [0,0,0,1,0,0|3,0,0]=4 8759 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [0,0,0,1,0,0|2,0,0]=3 8760 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [0,0,0,1,0,0|2,0,0]=3 8761 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [0,0,0,1,0,0|2,0,0]=3 8762 B11R1.17 C=CCNC1CCNCC1C 270004a_100020586998_100000703950 [0,0,0,1,0,0|3,0,0]=4 8763 B11R1.17 C=CCNC1CCOCC1C 270004a_100020586998_100000755695 [0,0,0,1,0,0|3,0,0]=4 8764 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210623 [0,0,0,1,0,0|3,0,0]=4 8765 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100015514636 [0,0,0,1,0,0|3,0,0]=4 8766 B11R1.17 C=CCOC1CCCCC1=O 34a_100011214950_100015514636 [0,0,0,1,0,0|1,0,2]=4 8767 B11R1.17 C=CCOC1CCCCC1=O 34a_200000210373_100000754470 [0,0,0,1,0,0|1,0,2]=4 8768 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [0,0,0,1,0,0|2,0,0]=3 8769 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [0,0,0,1,0,0|2,0,0]=3 8770 B11R1.17 C=CCOC1CCCCC1Cl 34a_100000038908_100015514636 [0,0,0,1,0,0|3,0,0]=4 8771 B11R1.17 C=CCOC1CCCCC1Cl 7a_100000038908_100015514636 [0,0,0,1,0,0|3,0,0]=4 8772 B11R1.17 C=CCOC1CCCCC1F 34a_200000210373_100015423560 [0,0,0,1,0,0|3,0,0]=4 8773 B11R1.17 C=CCOC1CCCCC1O 34a_200000210373_100000038908 [0,0,0,1,0,0|3,0,0]=4 8774 B11R1.17 C=CCOC1CCNCC1C 34a_100011998114_100015514636 [0,0,0,1,0,0|3,0,0]=4 8775 B11R1.17 C=CCOC1CNCCC1C 34a_100000696640_100015514636 [0,0,0,1,0,0|3,0,0]=4 8776 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100015514636 [0,0,0,1,0,0|3,0,0]=4 8777 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100015514636 [0,0,0,1,0,0|3,0,0]=4 8778 B11R1.17 C=CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100015514636 [0,0,0,1,0,0|3,0,0]=4 8779 B11R1.17 C=CCSC1CCCCC1=O 62a_100000204591_100000210623 [0,0,0,1,0,0|1,0,2]=4 8780 B11R1.17 C=CCSC1CCCCC1=O 62a_100000210623_100000204591 [0,0,0,1,0,0|1,0,2]=4 8781 B11R1.17 C=CCSC1CCCCC1F 62a_100000210623_100015423560 [0,0,0,1,0,0|3,0,0]=4 8782 B11R1.17 C=CCSC1CCCCC1F 62a_100015423560_100000210623 [0,0,0,1,0,0|3,0,0]=4 8783 B11R1.17 C=CCSC1CCCCC1O 62a_100000038908_100000210623 [0,0,0,1,0,0|3,0,0]=4 8784 B11R1.17 C=CCSC1CCCCC1O 62a_100000210623_100000038908 [0,0,0,1,0,0|3,0,0]=4 8785 B11R1.17 CC1CCCCC1NCC#N 2230a_100000211402_100011215382 [0,0,0,1,0,0|2,0,1]=4 8786 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [0,0,0,1,0,0|1,0,0]=2 8787 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [0,0,0,1,0,0|1,0,0]=2 8788 B11R1.17 CC1CCCCC1NCCF 2230a_100000211402_100011217306 [0,0,0,1,0,0|2,0,1]=4 8789 B11R1.17 CC1CCCCC1NCCF 269862a_100000724931_100000210921 [0,0,0,1,0,0|2,0,1]=4 8790 B11R1.17 CC1CCCCC1NCCF 34a_100000211402_100011217306 [0,0,0,1,0,0|2,0,1]=4 8791 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [0,0,0,1,0,0|1,0,2]=4 8792 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [0,0,0,1,0,0|1,0,2]=4 8793 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [0,0,0,1,0,0|1,0,2]=4 8794 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [0,0,0,1,0,0|1,0,2]=4 8795 B11R1.17 CC1CCCCC1OCC#N 7a_100000211207_100011215382 [0,0,0,1,0,0|2,0,1]=4 8796 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [0,0,0,1,0,0|1,0,0]=2 8797 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [0,0,0,1,0,0|1,0,0]=2 8798 B11R1.17 CC1CCCCC1OCCF 34a_100000211207_100011217306 [0,0,0,1,0,0|2,0,1]=4 8799 B11R1.17 CC1CCCCC1OCCF 7a_100000211207_100011217306 [0,0,0,1,0,0|2,0,1]=4 8800 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [0,0,0,1,0,0|1,0,2]=4 8801 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [0,0,0,1,0,0|1,0,2]=4 8802 B11R1.17 CC1CCCCN1CCC#N 2230a_100000211376_100011215226 [0,0,0,1,0,0|2,0,1]=4 8803 B11R1.17 CC1CCCCN1CCC#N 269982a_100000211376_100011215226 [0,0,0,1,0,0|2,0,1]=4 8804 B11R1.17 CC1CCCCN1CCCF 2230a_100000211376_100011934791 [0,0,0,1,0,0|2,0,1]=4 8805 B11R1.17 CC1CCCCN1CCCF 269982a_100000211376_100011934791 [0,0,0,1,0,0|2,0,1]=4 8806 B11R1.17 CC1CCCCN1CCCF 34a_100000211376_100011934791 [0,0,0,1,0,0|2,0,1]=4 8807 B11R1.17 CC1CCCCN1CCCO 2230a_100000211376_100000230001 [0,0,0,1,0,0|1,0,2]=4 8808 B11R1.17 CC1CCCCN1CCCO 269982a_100000211376_100011215043 [0,0,0,1,0,0|1,0,2]=4 8809 B11R1.17 CC1CCCCN1CCCO 34a_100000211376_100000230001 [0,0,0,1,0,0|1,0,2]=4 8810 B11R1.17 CC1CCCCN1CCN[13CH3] 2230a_100000739827_200025704644 [0,0,0,1,0,0|3,0,0]=4 8811 B11R1.17 CC1CCCCN1CCN[13CH3] 34a_100000739827_200025704644 [0,0,0,1,0,0|3,0,0]=4 8812 B11R1.17 CC1CCCCN1CCO[13CH3] 34a_100011305533_200025704644 [0,0,0,1,0,0|3,0,0]=4 8813 B11R1.17 CC1CCNCC1OCC=O 34a_100000696640_200009817547 [0,0,0,1,0,0|2,0,0]=3 8814 B11R1.17 CC1CNCCC1OCC=O 34a_100011998114_200009817547 [0,0,0,1,0,0|2,0,0]=3 8815 B11R1.17 CC=CCN1CCCCC1C 2230a_100000211376_100000070051 [0,0,0,1,0,0|2,0,1]=4 8816 B11R1.17 CC=CCN1CCCCC1C 34a_100000211376_100000070051 [0,0,0,1,0,0|2,0,1]=4 8817 B11R1.17 CCCCN1CCCCC1C 2230a_100000211376_100000210211 [0,0,0,1,0,0|2,0,1]=4 8818 B11R1.17 CCCCN1CCCCC1C 269982a_100000211376_100000210211 [0,0,0,1,0,0|2,0,1]=4 8819 B11R1.17 CCCCN1CCCCC1C 34a_100000211376_100000210210 [0,0,0,1,0,0|2,0,1]=4 8820 B11R1.17 CCCNC1CCCCC1C 2230a_100000211402_100000210303 [0,0,0,1,0,0|2,0,1]=4 8821 B11R1.17 CCCNC1CCCCC1C 269862a_100020643023_100000210921 [0,0,0,1,0,0|2,0,1]=4 8822 B11R1.17 CCCNC1CCCCC1C 270004a_100020643023_100000210921 [0,0,0,1,0,0|2,0,1]=4 8823 B11R1.17 CCCNC1CCCCC1C 34a_100000211402_100000210303 [0,0,0,1,0,0|2,0,1]=4 8824 B11R1.17 CCCNC1CCCNC1=O 2230a_100000747585_100000210303 [0,0,0,1,0,0|2,0,0]=3 8825 B11R1.17 CCCNC1CCCNC1=O 34a_100000747585_100000210303 [0,0,0,1,0,0|2,0,0]=3 8826 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210303 [0,0,0,1,0,0|2,0,1]=4 8827 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210303 [0,0,0,1,0,0|2,0,1]=4 8828 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [0,0,0,1,0,0|1,0,0]=2 8829 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [0,0,0,1,0,0|1,0,0]=2 8830 B11R1.17 CCCOC1CCCCC1C 34a_100000211207_100000210303 [0,0,0,1,0,0|2,0,1]=4 8831 B11R1.17 CCCOC1CCCCC1C 7a_100000211207_100000210303 [0,0,0,1,0,0|2,0,1]=4 8832 B11R1.17 CCCOC1CCCCC1Cl 34a_100000038908_100000210303 [0,0,0,1,0,0|2,0,1]=4 8833 B11R1.17 CCCOC1CCCCC1Cl 7a_100000038908_100000210303 [0,0,0,1,0,0|2,0,1]=4 8834 B11R1.17 CCCOC1CCCCC1F 34a_100000210258_100015423560 [0,0,0,1,0,0|2,0,1]=4 8835 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [0,0,0,1,0,0|1,0,2]=4 8836 B11R1.17 CCCOC1CCCNC1=O 34a_100000073722_100000210303 [0,0,0,1,0,0|2,0,0]=3 8837 B11R1.17 CCCOC1CCCNC1=O 34a_100000210258_100000687798 [0,0,0,1,0,0|2,0,0]=3 8838 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [0,0,0,1,0,0|2,0,0]=3 8839 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210303 [0,0,0,1,0,0|2,0,1]=4 8840 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210303 [0,0,0,1,0,0|2,0,1]=4 8841 B11R1.17 CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210303 [0,0,0,1,0,0|2,0,1]=4 8842 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [0,0,0,1,0,0|1,0,0]=2 8843 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [0,0,0,1,0,0|1,0,0]=2 8844 B11R1.17 CCCSC1CCCCC1F 62a_100000210303_100015423560 [0,0,0,1,0,0|2,0,1]=4 8845 B11R1.17 CCCSC1CCCCC1F 62a_100015423560_100000210303 [0,0,0,1,0,0|2,0,1]=4 8846 B11R1.17 CCCSC1CCCCC1O 62a_100000038908_100000210303 [0,0,0,1,0,0|1,0,2]=4 8847 B11R1.17 CCCSC1CCCCC1O 62a_100000210303_100000038908 [0,0,0,1,0,0|1,0,2]=4 8848 B11R1.17 CCCSC1CCCNC1=O 62a_100000210303_100000687798 [0,0,0,1,0,0|2,0,0]=3 8849 B11R1.17 CCCSC1CCCNC1=O 62a_100000687798_100000210303 [0,0,0,1,0,0|2,0,0]=3 8850 B11R1.17 CCCSC1COCCC1=O 62a_100000210303_100012180262 [0,0,0,1,0,0|2,0,0]=3 8851 B11R1.17 CCCSC1COCCC1=O 62a_100012180262_100000210303 [0,0,0,1,0,0|2,0,0]=3 8852 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [0,0,0,1,0,0|1,0,2]=4 8853 B11R1.17 CCNCC1CCCCN1C 34a_100011228421_100000210202 [0,0,0,1,0,0|3,0,0]=4 8854 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [0,0,0,1,0,0|1,0,0]=2 8855 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [0,0,0,1,0,0|1,0,0]=2 8856 B11R1.17 CCOCC1CCCCN1C 34a_100000225079_100000210202 [0,0,0,1,0,0|3,0,0]=4 8857 B11R1.17 CCOCC1CCCCN1C 34a_100121572206_100015186950 [0,0,0,1,0,0|3,0,0]=4 8858 B11R1.17 CCSCC1CCCCN1C 62a_100000210202_100015185383 [0,0,0,1,0,0|3,0,0]=4 8859 B11R1.17 CCSCC1CCCCN1C 62a_100015185383_100000210202 [0,0,0,1,0,0|3,0,0]=4 8860 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [0,0,0,1,0,0|1,0,2]=4 8861 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [0,0,0,1,0,0|1,0,2]=4 8862 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [0,0,0,1,0,0|1,0,2]=4 8863 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_100000211948_200025704644 [0,0,0,1,0,0|3,0,0]=4 8864 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_200025704644_100000211948 [0,0,0,1,0,0|3,0,0]=4 8865 B11R1.17 CNCCC1CCCCN1C 2230a_106832991635_100000211948 [0,0,0,1,0,0|3,0,0]=4 8866 B11R1.17 CNCCC1CCCCN1C 34a_100102657272_100000211948 [0,0,0,1,0,0|3,0,0]=4 8867 B11R1.17 CNCCC1CCCCN1C 7a_106832991635_100000211948 [0,0,0,1,0,0|3,0,0]=4 8868 B11R1.17 CNCCN1CCCCC1=O 2230a_100160573077_200000210301 [0,0,0,1,0,0|2,0,0]=3 8869 B11R1.17 CNCCN1CCCCC1=O 34a_100160573077_200000210301 [0,0,0,1,0,0|2,0,0]=3 8870 B11R1.17 CNCCN1CCCCC1C 2230a_100000739827_200000210301 [0,0,0,1,0,0|3,0,0]=4 8871 B11R1.17 CNCCN1CCCCC1C 34a_100000739827_200000210301 [0,0,0,1,0,0|3,0,0]=4 8872 B11R1.17 COCCC1CCCCN1C 2230a_100015186528_200000210301 [0,0,0,1,0,0|3,0,0]=4 8873 B11R1.17 COCCC1CCCCN1C 269982a_100015186528_200000210301 [0,0,0,1,0,0|3,0,0]=4 8874 B11R1.17 COCCC1CCCCN1C 34a_100015186528_200000210301 [0,0,0,1,0,0|3,0,0]=4 8875 B11R1.17 COCCC1CCCCN1C 34a_100138415774_100000211948 [0,0,0,1,0,0|3,0,0]=4 8876 B11R1.17 COCCC1CCCCN1[13CH3] 2230a_100015186528_200025704644 [0,0,0,1,0,0|3,0,0]=4 8877 B11R1.17 COCCC1CCCCN1[13CH3] 269982a_100015186528_200025704644 [0,0,0,1,0,0|3,0,0]=4 8878 B11R1.17 COCCC1CCCCN1[13CH3] 34a_100015186528_200025704644 [0,0,0,1,0,0|3,0,0]=4 8879 B11R1.17 COCCC1NCCNC1=O 34a_100000044719_200000210301 [0,0,0,1,0,0|3,0,0]=4 8880 B11R1.17 COCCN1CCCCC1C 2230a_100000211376_100011201679 [0,0,0,1,0,0|3,0,0]=4 8881 B11R1.17 COCCN1CCCCC1C 269982a_100000211376_100000233755 [0,0,0,1,0,0|3,0,0]=4 8882 B11R1.17 COCCN1CCCCC1C 34a_100000211376_100011201679 [0,0,0,1,0,0|3,0,0]=4 8883 B11R1.17 COCCN1CCCCC1C 34a_100011305533_200000210301 [0,0,0,1,0,0|3,0,0]=4 8884 B11R1.17 COCNC1CCCCC1C 2230a_100000211402_100000766300 [0,0,0,1,0,0|3,0,0]=4 8885 B11R1.17 COCNC1CCCNC1=O 2230a_100000747585_100000766300 [0,0,0,1,0,0|3,0,0]=4 8886 B11R1.17 COCSC1CCCCC1=O 62a_100000204591_100000766300 [0,0,0,1,0,0|2,0,0]=3 8887 B11R1.17 COCSC1CCCCC1=O 62a_100000766300_100000204591 [0,0,0,1,0,0|2,0,0]=3 8888 B11R1.17 COCSC1CCCNC1=O 62a_100000687798_100000766300 [0,0,0,1,0,0|3,0,0]=4 8889 B11R1.17 COCSC1CCCNC1=O 62a_100000766300_100000687798 [0,0,0,1,0,0|3,0,0]=4 8890 B11R1.17 COCSC1COCCC1=O 62a_100000766300_100012180262 [0,0,0,1,0,0|3,0,0]=4 8891 B11R1.17 COCSC1COCCC1=O 62a_100012180262_100000766300 [0,0,0,1,0,0|3,0,0]=4 8892 B11R1.17 CSCCC1CCCCN1C 62a_100000211948_200000210301 [0,0,0,1,0,0|3,0,0]=4 8893 B11R1.17 CSCCC1CCCCN1C 62a_200000210301_100000211948 [0,0,0,1,0,0|3,0,0]=4 8894 B11R1.17 CSCCN1CCCCC1C 2230a_100000211376_100000751147 [0,0,0,1,0,0|3,0,0]=4 8895 B11R1.17 CSCCN1CCCCC1C 269982a_100000211376_100000212216 [0,0,0,1,0,0|3,0,0]=4 8896 B11R1.17 CSCCN1CCCCC1C 34a_100000211376_100000212216 [0,0,0,1,0,0|3,0,0]=4 8897 B11R1.17 CSCNC1CCCCC1C 2230a_100000211402_100011218213 [0,0,0,1,0,0|3,0,0]=4 8898 B11R1.17 CSCNC1CCCCC1C 34a_100000211402_100011218213 [0,0,0,1,0,0|3,0,0]=4 8899 B11R1.17 CSCNC1CCCNC1=O 2230a_100000747585_100011218213 [0,0,0,1,0,0|3,0,0]=4 8900 B11R1.17 CSCNC1CCCNC1=O 34a_100000747585_100011218213 [0,0,0,1,0,0|3,0,0]=4 8901 B11R1.17 CSCOC1CCCCC1=O 34a_100011214950_100011218213 [0,0,0,1,0,0|2,0,0]=3 8902 B11R1.17 CSCOC1CCCCC1C 34a_100000211207_100011218213 [0,0,0,1,0,0|3,0,0]=4 8903 B11R1.17 CSCOC1CCCNC1=O 34a_100000073722_100011218213 [0,0,0,1,0,0|3,0,0]=4 8904 B11R1.17 CSCSC1CCCCC1=O 62a_100000204591_100011218213 [0,0,0,1,0,0|2,0,0]=3 8905 B11R1.17 CSCSC1CCCCC1=O 62a_100011218213_100000204591 [0,0,0,1,0,0|2,0,0]=3 8906 B11R1.17 CSCSC1CCCNC1=O 62a_100000687798_100011218213 [0,0,0,1,0,0|3,0,0]=4 8907 B11R1.17 CSCSC1CCCNC1=O 62a_100011218213_100000687798 [0,0,0,1,0,0|3,0,0]=4 8908 B11R1.17 CSCSC1COCCC1=O 62a_100011218213_100012180262 [0,0,0,1,0,0|3,0,0]=4 8909 B11R1.17 CSCSC1COCCC1=O 62a_100012180262_100011218213 [0,0,0,1,0,0|3,0,0]=4 8910 B11R1.17 N#CCSC1CCCCC1=O 62a_100000204591_100011215382 [0,0,0,1,0,0|2,0,1]=4 8911 B11R1.17 N#CCSC1CCCCC1=O 62a_100011215382_100000204591 [0,0,0,1,0,0|2,0,1]=4 8912 B11R1.17 NCCOC1CCCCC1=O 34a_100000210304_100000754470 [0,0,0,1,0,0|2,0,0]=3 8913 B11R1.17 NCCOC1CCCNC1=O 34a_100000210304_100000687798 [0,0,0,1,0,0|3,0,0]=4 8914 B11R1.17 NCCOC1COCCC1=O 34a_100000210304_100012180262 [0,0,0,1,0,0|3,0,0]=4 8915 B11R1.17 N[C@@H]1CCCC[C@@H]1OCC=O 34a_100015191688_200009817547 [0,0,0,1,0,0|2,0,0]=3 8916 B11R1.17 N[C@@H]1CCOC[C@@H]1OCC=O 34a_100016994285_200009817547 [0,0,0,1,0,0|3,0,0]=4 8917 B11R1.17 N[C@H]1COCC[C@@H]1OCC=O 34a_100015739063_200009817547 [0,0,0,1,0,0|3,0,0]=4 8918 B11R1.17 O=C1CCCCC1COCF 34a_100009861125_100015361967 [0,0,0,1,0,0|2,0,0]=3 8919 B11R1.17 O=C1CCCCC1COCF 7a_100009861125_100015361967 [0,0,0,1,0,0|2,0,0]=3 8920 B11R1.17 O=C1CCCCC1NCCF 34a_100000724931_100000754470 [0,0,0,1,0,0|2,0,0]=3 8921 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [0,0,0,1,0,0|2,0,0]=3 8922 B11R1.17 O=C1CCCCC1OCCBr 34a_100000211926_100000754470 [0,0,0,1,0,0|2,0,0]=3 8923 B11R1.17 O=C1CCCCC1OCCF 34a_100011214950_100011217306 [0,0,0,1,0,0|2,0,0]=3 8924 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [0,0,0,1,0,0|2,0,0]=3 8925 B11R1.17 O=C1CCCCC1SCCF 62a_100000204591_100011217306 [0,0,0,1,0,0|2,0,0]=3 8926 B11R1.17 O=C1CCCCC1SCCF 62a_100011217306_100000204591 [0,0,0,1,0,0|2,0,0]=3 8927 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [0,0,0,1,0,0|2,0,0]=3 8928 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [0,0,0,1,0,0|2,0,0]=3 8929 B11R1.17 O=C1CCOCC1NCCF 34a_100000724931_100012180262 [0,0,0,1,0,0|3,0,0]=4 8930 B11R1.17 O=C1CCOCC1NCCO 34a_100016990907_100012180262 [0,0,0,1,0,0|3,0,0]=4 8931 B11R1.17 O=C1CCOCC1OCCBr 34a_100000211926_100012180262 [0,0,0,1,0,0|3,0,0]=4 8932 B11R1.17 O=C1CCOCC1SCCF 62a_100011217306_100012180262 [0,0,0,1,0,0|3,0,0]=4 8933 B11R1.17 O=C1CCOCC1SCCF 62a_100012180262_100011217306 [0,0,0,1,0,0|3,0,0]=4 8934 B11R1.17 O=C1CCOCC1SCCO 62a_100000211926_100012180262 [0,0,0,1,0,0|3,0,0]=4 8935 B11R1.17 O=C1CCOCC1SCCO 62a_100012180262_100000211926 [0,0,0,1,0,0|3,0,0]=4 8936 B11R1.17 O=C1NCCCC1NCCF 2230a_100000747585_100011217306 [0,0,0,1,0,0|3,0,0]=4 8937 B11R1.17 O=C1NCCCC1NCCF 34a_100000724931_100000687798 [0,0,0,1,0,0|3,0,0]=4 8938 B11R1.17 O=C1NCCCC1NCCF 34a_100000747585_100011217306 [0,0,0,1,0,0|3,0,0]=4 8939 B11R1.17 O=C1NCCCC1NCCO 2230a_100000747585_100000211926 [0,0,0,1,0,0|3,0,0]=4 8940 B11R1.17 O=C1NCCCC1NCCO 2230a_100016997473_100000687798 [0,0,0,1,0,0|3,0,0]=4 8941 B11R1.17 O=C1NCCCC1NCCO 34a_100000747585_100000211926 [0,0,0,1,0,0|3,0,0]=4 8942 B11R1.17 O=C1NCCCC1NCCO 34a_100016990907_100000687798 [0,0,0,1,0,0|3,0,0]=4 8943 B11R1.17 O=C1NCCCC1OCCBr 34a_100000211926_100000687798 [0,0,0,1,0,0|3,0,0]=4 8944 B11R1.17 O=C1NCCCC1OCCF 34a_100000073722_100011217306 [0,0,0,1,0,0|3,0,0]=4 8945 B11R1.17 O=C1NCCCC1OCCO 34a_100000073722_100000211926 [0,0,0,1,0,0|3,0,0]=4 8946 B11R1.17 O=C1NCCCC1SCCF 62a_100000687798_100011217306 [0,0,0,1,0,0|3,0,0]=4 8947 B11R1.17 O=C1NCCCC1SCCF 62a_100011217306_100000687798 [0,0,0,1,0,0|3,0,0]=4 8948 B11R1.17 O=C1NCCCC1SCCO 62a_100000211926_100000687798 [0,0,0,1,0,0|3,0,0]=4 8949 B11R1.17 O=C1NCCCC1SCCO 62a_100000687798_100000211926 [0,0,0,1,0,0|3,0,0]=4 8950 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200015260668 [0,0,0,1,0,0|2,0,0]=3 8951 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200009817547 [0,0,0,1,0,0|2,0,0]=3 8952 B11R1.17 O=CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200015260668 [0,0,0,1,0,0|3,0,0]=4 8953 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200015260668 [0,0,0,1,0,0|3,0,0]=4 8954 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F 34a_100016994078_200009817547 [0,0,0,1,0,0|3,0,0]=4 8955 B11R1.17 O=CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_200015260668 [0,0,0,1,0,0|3,0,0]=4 8956 B11R1.17 O=CCOC1CCCCC1=O 34a_100011214950_200009817547 [0,0,0,1,0,0|2,0,1]=4 8957 B11R1.17 O=CCOC1CCCCC1Cl 34a_100000038908_200009817547 [0,0,0,1,0,0|2,0,0]=3 8958 B11R1.17 O=CCOC1CCCCC1Cl 7a_100000038908_200015260668 [0,0,0,1,0,0|2,0,0]=3 8959 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200009817547 [0,0,0,1,0,0|2,0,0]=3 8960 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200015260668 [0,0,0,1,0,0|2,0,0]=3 8961 B11R1.17 O=CCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_200009817547 [0,0,0,1,0,0|3,0,0]=4 8962 B11R1.17 O=CCSC1CCCCC1=O 62a_100000204591_200015260668 [0,0,0,1,0,0|2,0,1]=4 8963 B11R1.17 O=CCSC1CCCCC1=O 62a_200015260668_100000204591 [0,0,0,1,0,0|2,0,1]=4 8964 B11R1.17 O=CCSC1CCCCC1F 62a_100015423560_200015260668 [0,0,0,1,0,0|2,0,0]=3 8965 B11R1.17 O=CCSC1CCCCC1F 62a_200015260668_100015423560 [0,0,0,1,0,0|2,0,0]=3 8966 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [0,0,0,1,0,0|2,0,0]=3 8967 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [0,0,0,1,0,0|2,0,0]=3 8968 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [0,0,0,1,0,0|1,0,2]=4 8969 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [0,0,0,1,0,0|1,0,2]=4 8970 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [0,0,0,1,0,0|1,0,2]=4 8971 B11R1.17 [13CH3]NCCN1CCCCC1=O 2230a_100160573077_200025704644 [0,0,0,1,0,0|2,0,0]=3 8972 B11R1.17 [13CH3]NCCN1CCCCC1=O 34a_100160573077_200025704644 [0,0,0,1,0,0|2,0,0]=3 8973 B11R1.17 [13CH3]OCCC1NCCNC1=O 34a_100000044719_200025704644 [0,0,0,1,0,0|3,0,0]=4 8974 B11R1.18 C#CCCN1CCCC1CC 2230a_100000754278_100000688953 [0,0,0,1,0,0|2,0,1]=4 8975 B11R1.18 C#CCCN1CCCC1CC 269982a_100000754278_100000730999 [0,0,0,1,0,0|2,0,1]=4 8976 B11R1.18 C#CCCN1CCCC1CC 34a_100000754278_100000688953 [0,0,0,1,0,0|2,0,1]=4 8977 B11R1.18 C/C=C/CN1CCCC1CC 269982a_100000754278_100102629194 [0,0,0,1,0,0|2,0,1]=4 8978 B11R1.18 C/C=C/CN1CCCC1CC 34a_100000754278_100102629194 [0,0,0,1,0,0|2,0,1]=4 8979 B11R1.18 C=CCCN1CCCC1CC 2230a_100000754278_100000754431 [0,0,0,1,0,0|2,0,0]=3 8980 B11R1.18 C=CCCN1CCCC1CC 269982a_100000754278_100000754431 [0,0,0,1,0,0|2,0,0]=3 8981 B11R1.18 C=CCCN1CCCC1CC 34a_100000754278_100000754431 [0,0,0,1,0,0|2,0,0]=3 8982 B11R1.18 C=CCCN1CCC[C@@H]1CO 2230a_100000745186_100000754431 [0,0,0,1,0,0|3,0,0]=4 8983 B11R1.18 C=CCCN1CCC[C@@H]1CO 269982a_100000745186_100000754431 [0,0,0,1,0,0|3,0,0]=4 8984 B11R1.18 C=CCCN1CCC[C@@H]1CO 34a_100000745186_100000754431 [0,0,0,1,0,0|3,0,0]=4 8985 B11R1.18 C=CCNC1CCCC1CC 270004a_100020586998_100000749056 [0,0,0,1,0,0|2,0,0]=3 8986 B11R1.18 CC=CCN1CCCC1CC 2230a_100000754278_100000070051 [0,0,0,1,0,0|2,0,1]=4 8987 B11R1.18 CC=CCN1CCCC1CC 34a_100000754278_100000070051 [0,0,0,1,0,0|2,0,1]=4 8988 B11R1.18 CCC1CCCC1NCCF 269862a_100000724931_100000749056 [0,0,0,1,0,0|2,0,1]=4 8989 B11R1.18 CCC1CCCC1NCCO 269862a_100000210304_100000749056 [0,0,0,1,0,0|1,0,2]=4 8990 B11R1.18 CCC1CCCC1NCCO 270004a_100000210304_100000749056 [0,0,0,1,0,0|1,0,2]=4 8991 B11R1.18 CCC1CCCN1CCC#N 2230a_100000754278_100011215226 [0,0,0,1,0,0|2,0,1]=4 8992 B11R1.18 CCC1CCCN1CCC#N 269982a_100000754278_100011215226 [0,0,0,1,0,0|2,0,1]=4 8993 B11R1.18 CCC1CCCN1CCCF 2230a_100000754278_100011934791 [0,0,0,1,0,0|2,0,1]=4 8994 B11R1.18 CCC1CCCN1CCCF 269982a_100000754278_100011934791 [0,0,0,1,0,0|2,0,1]=4 8995 B11R1.18 CCC1CCCN1CCCF 34a_100000754278_100011934791 [0,0,0,1,0,0|2,0,1]=4 8996 B11R1.18 CCC1CCCN1CCCO 2230a_100000754278_100000230001 [0,0,0,1,0,0|1,0,2]=4 8997 B11R1.18 CCC1CCCN1CCCO 269982a_100000754278_100011215043 [0,0,0,1,0,0|1,0,2]=4 8998 B11R1.18 CCC1CCCN1CCCO 34a_100000754278_100000230001 [0,0,0,1,0,0|1,0,2]=4 8999 B11R1.18 CCC1CCCN1CCOC 2230a_100000754278_100011201679 [0,0,0,1,0,0|3,0,0]=4 9000 B11R1.18 CCC1CCCN1CCOC 269982a_100000754278_100000233755 [0,0,0,1,0,0|3,0,0]=4 9001 B11R1.18 CCC1CCCN1CCOC 34a_100000754278_100011201679 [0,0,0,1,0,0|3,0,0]=4 9002 B11R1.18 CCC1CCCN1CCSC 2230a_100000754278_100000751147 [0,0,0,1,0,0|3,0,0]=4 9003 B11R1.18 CCC1CCCN1CCSC 269982a_100000754278_100000212216 [0,0,0,1,0,0|3,0,0]=4 9004 B11R1.18 CCC1CCCN1CCSC 34a_100000754278_100000212216 [0,0,0,1,0,0|3,0,0]=4 9005 B11R1.18 CCCCC1CCCC1NC 269862a_106832991636_100000750825 [0,0,0,1,0,0|2,0,0]=3 9006 B11R1.18 CCCCC1CCCC1NC 270004a_106832991635_100000750825 [0,0,0,1,0,0|2,0,0]=3 9007 B11R1.18 CCCCN1CCCC1C#N 2230a_100000701862_100000210211 [0,0,0,1,0,0|2,0,1]=4 9008 B11R1.18 CCCCN1CCCC1CC 2230a_100000754278_100000210211 [0,0,0,1,0,0|2,0,1]=4 9009 B11R1.18 CCCCN1CCCC1CC 269982a_100000754278_100000210211 [0,0,0,1,0,0|2,0,1]=4 9010 B11R1.18 CCCCN1CCCC1CC 34a_100000754278_100000210210 [0,0,0,1,0,0|2,0,1]=4 9011 B11R1.18 CCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210211 [0,0,0,1,0,0|2,0,1]=4 9012 B11R1.18 CCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210211 [0,0,0,1,0,0|2,0,1]=4 9013 B11R1.18 CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210211 [0,0,0,1,0,0|1,0,2]=4 9014 B11R1.18 CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210211 [0,0,0,1,0,0|1,0,2]=4 9015 B11R1.18 CCCCN1CCC[C@@H]1CO 34a_100000745186_100000210210 [0,0,0,1,0,0|1,0,2]=4 9016 B11R1.18 CCCNC1CCCC1CC 269862a_100020643023_100000749056 [0,0,0,1,0,0|2,0,1]=4 9017 B11R1.18 CCCNC1CCCC1CC 270004a_100020643023_100000749056 [0,0,0,1,0,0|2,0,1]=4 9018 B11R1.18 CCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210303 [0,0,0,1,0,0|2,0,1]=4 9019 B11R1.18 CCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210303 [0,0,0,1,0,0|2,0,1]=4 9020 B11R1.18 CNC1CCCC1CCC#N 270004a_106832991635_100000073560 [0,0,0,1,0,0|2,0,1]=4 9021 B11R1.18 N#C[C@@H]1CCC[C@H]1OCC=O 34a_100011907464_200009817547 [0,0,0,1,0,0|2,0,1]=4 9022 B11R1.18 N#C[C@@H]1CCC[C@H]1OCC=O 7a_100011907464_200015260668 [0,0,0,1,0,0|2,0,1]=4 9023 B11R1.28 BrCCCOC1CCCCC1 34a_100011217188_100000210327 [0,0,0,1,0,0|2,0,1]=4 9024 B11R1.28 BrCCOCC1CCCCC1 34a_100000211926_100000211423 [0,0,0,1,0,0|2,0,1]=4 9025 B11R1.28 C#CCCNC1CCCCC1 2230a_100000182618_100000688953 [0,0,0,1,0,0|2,0,1]=4 9026 B11R1.28 C#CCCNC1CCCCC1 34a_100000182618_100000688953 [0,0,0,1,0,0|2,0,1]=4 9027 B11R1.28 C#CCCNC1CCCCC1 34a_100000755551_100000210327 [0,0,0,1,0,0|2,0,1]=4 9028 B11R1.28 C#CCCOC1CCCCC1 34a_100000210231_100000688953 [0,0,0,1,0,0|2,0,1]=4 9029 B11R1.28 C#CCCOC1CCCCC1 34a_100011215631_100000210327 [0,0,0,1,0,0|2,0,1]=4 9030 B11R1.28 C#CCCOC1CCCCC1 7a_100000210231_100000688953 [0,0,0,1,0,0|2,0,1]=4 9031 B11R1.28 C#CCCSC1CCCCC1 62a_100000210327_100000688953 [0,0,0,1,0,0|2,0,1]=4 9032 B11R1.28 C#CCCSC1CCCCC1 62a_100000688953_100000210327 [0,0,0,1,0,0|2,0,1]=4 9033 B11R1.28 C#CCNCC1CCCCC1 2230a_100000210473_100000038162 [0,0,0,1,0,0|2,0,1]=4 9034 B11R1.28 C#CCNCC1CCCCC1 34a_100000210473_100000184674 [0,0,0,1,0,0|2,0,1]=4 9035 B11R1.28 C#CCNCC1CCCCC1 34a_100000212058_100000211423 [0,0,0,1,0,0|2,0,1]=4 9036 B11R1.28 C#CCOCC1CCCCC1 34a_100000210247_100000211423 [0,0,0,1,0,0|2,0,1]=4 9037 B11R1.28 C#CCOCC1CCCCC1 34a_100000212181_100000184674 [0,0,0,1,0,0|2,0,1]=4 9038 B11R1.28 C#CCOCC1CCCCC1 7a_100000212181_100000038162 [0,0,0,1,0,0|2,0,1]=4 9039 B11R1.28 C#CCSCC1CCCCC1 62a_100000038162_100000211423 [0,0,0,1,0,0|2,0,1]=4 9040 B11R1.28 C/C=C/CNC1CCCCC1 34a_100000182618_100102629194 [0,0,0,1,0,0|2,0,1]=4 9041 B11R1.28 C/C=C/COC1CCCCC1 34a_100000210231_100102629194 [0,0,0,1,0,0|2,0,1]=4 9042 B11R1.28 C/C=C/COC1CCCCC1 34a_100016270725_100000210327 [0,0,0,1,0,0|2,0,1]=4 9043 B11R1.28 C/C=C/COC1CCCCC1 7a_100000210231_100102629194 [0,0,0,1,0,0|2,0,1]=4 9044 B11R1.28 C/C=C/CSC1CCCCC1 62a_100000210327_100102629194 [0,0,0,1,0,0|2,0,1]=4 9045 B11R1.28 C/C=C/CSC1CCCCC1 62a_100102629194_100000210327 [0,0,0,1,0,0|2,0,1]=4 9046 B11R1.28 C=CCCCN1CCCOC1 2230a_100000131196_100011713584 [0,0,0,1,0,0|3,0,0]=4 9047 B11R1.28 C=CCCCN1CCCOC1 269982a_100000131196_100000757094 [0,0,0,1,0,0|3,0,0]=4 9048 B11R1.28 C=CCCCN1CCCOC1 34a_100000131196_100000757094 [0,0,0,1,0,0|3,0,0]=4 9049 B11R1.28 C=CCCCN1CCOCC1 2230a_100015191051_100011713584 [0,0,0,1,0,0|3,0,0]=4 9050 B11R1.28 C=CCCCN1CCOCC1 269982a_100015191051_100000757094 [0,0,0,1,0,0|3,0,0]=4 9051 B11R1.28 C=CCCCN1CCOCC1 34a_100015191051_100000757094 [0,0,0,1,0,0|3,0,0]=4 9052 B11R1.28 C=CCCCN1CCSCC1 2230a_100000737611_100011713584 [0,0,0,1,0,0|3,0,0]=4 9053 B11R1.28 C=CCCCN1CCSCC1 269982a_100000737611_100000757094 [0,0,0,1,0,0|3,0,0]=4 9054 B11R1.28 C=CCCNC1CCCCC1 2230a_100000182618_100000754431 [0,0,0,1,0,0|2,0,0]=3 9055 B11R1.28 C=CCCNC1CCCCC1 270004a_100015191253_100000210434 [0,0,0,1,0,0|2,0,0]=3 9056 B11R1.28 C=CCCNC1CCCCC1 34a_100000182618_100000754431 [0,0,0,1,0,0|2,0,0]=3 9057 B11R1.28 C=CCCNC1CCCOC1 2230a_100000719290_100000754431 [0,0,0,1,0,0|3,0,0]=4 9058 B11R1.28 C=CCCNC1CCCOC1 270004a_100015191253_100000753404 [0,0,0,1,0,0|3,0,0]=4 9059 B11R1.28 C=CCCNC1CCCOC1 34a_100000719290_100000754431 [0,0,0,1,0,0|3,0,0]=4 9060 B11R1.28 C=CCCNC1CCCSC1 270004a_100015191253_100000057913 [0,0,0,1,0,0|3,0,0]=4 9061 B11R1.28 C=CCCNC1CCNCC1 270004a_100015191253_100015192401 [0,0,0,1,0,0|3,0,0]=4 9062 B11R1.28 C=CCCNC1CCOCC1 2230a_100000741149_100000754431 [0,0,0,1,0,0|3,0,0]=4 9063 B11R1.28 C=CCCNC1CCOCC1 270004a_100015191253_100011217826 [0,0,0,1,0,0|3,0,0]=4 9064 B11R1.28 C=CCCNC1CCOCC1 34a_100000741149_100000754431 [0,0,0,1,0,0|3,0,0]=4 9065 B11R1.28 C=CCCNC1CCSCC1 2230a_100000748639_100000754431 [0,0,0,1,0,0|3,0,0]=4 9066 B11R1.28 C=CCCNC1CCSCC1 270004a_100015191253_100000203788 [0,0,0,1,0,0|3,0,0]=4 9067 B11R1.28 C=CCCNC1CCSCC1 34a_100000748639_100000754431 [0,0,0,1,0,0|3,0,0]=4 9068 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [0,0,0,1,0,0|2,0,0]=3 9069 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [0,0,0,1,0,0|2,0,0]=3 9070 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [0,0,0,1,0,0|2,0,0]=3 9071 B11R1.28 C=CCCOC1CCCCO1 34a_100000033831_100000754431 [0,0,0,1,0,0|3,0,0]=4 9072 B11R1.28 C=CCCOC1CCCOC1 34a_100000754041_100000754431 [0,0,0,1,0,0|3,0,0]=4 9073 B11R1.28 C=CCCOC1CCCOC1 34a_100011205117_100000693364 [0,0,0,1,0,0|3,0,0]=4 9074 B11R1.28 C=CCCOC1CCCSC1 7a_100015962668_100000754431 [0,0,0,1,0,0|3,0,0]=4 9075 B11R1.28 C=CCCOC1CCOCC1 34a_100000744328_100000754431 [0,0,0,1,0,0|3,0,0]=4 9076 B11R1.28 C=CCCOC1CCSCC1 34a_100000731022_100000754431 [0,0,0,1,0,0|3,0,0]=4 9077 B11R1.28 C=CCCOC1CCSCC1 34a_100011205117_100000069128 [0,0,0,1,0,0|3,0,0]=4 9078 B11R1.28 C=CCCOC1CCSCC1 7a_100000731022_100000754431 [0,0,0,1,0,0|3,0,0]=4 9079 B11R1.28 C=CCCSC1CCCCC1 62a_100000210327_100000754431 [0,0,0,1,0,0|2,0,0]=3 9080 B11R1.28 C=CCCSC1CCCCC1 62a_100000754431_100000210327 [0,0,0,1,0,0|2,0,0]=3 9081 B11R1.28 C=CCCSC1CCCOC1 62a_100000754431_100000693364 [0,0,0,1,0,0|3,0,0]=4 9082 B11R1.28 C=CCCSC1CCOCC1 62a_100000754431_100011324220 [0,0,0,1,0,0|3,0,0]=4 9083 B11R1.28 C=CCCSC1CCSCC1 62a_100000754431_100000069128 [0,0,0,1,0,0|3,0,0]=4 9084 B11R1.28 C=CCNCC1CCCCC1 2230a_100000210473_100000210623 [0,0,0,1,0,0|2,0,0]=3 9085 B11R1.28 C=CCNCC1CCCCC1 2230a_100020586998_100000211423 [0,0,0,1,0,0|2,0,0]=3 9086 B11R1.28 C=CCNCC1CCCCC1 34a_100000210473_100015514636 [0,0,0,1,0,0|2,0,0]=3 9087 B11R1.28 C=CCNCC1CCCCO1 2230a_100000174945_100000210623 [0,0,0,1,0,0|3,0,0]=4 9088 B11R1.28 C=CCNCC1CCCCO1 2230a_100020586998_100000211543 [0,0,0,1,0,0|3,0,0]=4 9089 B11R1.28 C=CCNCC1CCCCO1 34a_100000174945_100015514636 [0,0,0,1,0,0|3,0,0]=4 9090 B11R1.28 C=CCNCC1CCCOC1 2230a_100000720124_100000210623 [0,0,0,1,0,0|3,0,0]=4 9091 B11R1.28 C=CCNCC1CCCOC1 2230a_100020586998_100000741521 [0,0,0,1,0,0|3,0,0]=4 9092 B11R1.28 C=CCNCC1CCCOC1 34a_100000720124_100015514636 [0,0,0,1,0,0|3,0,0]=4 9093 B11R1.28 C=CCNCC1CCOCC1 2230a_100000746373_100000210623 [0,0,0,1,0,0|3,0,0]=4 9094 B11R1.28 C=CCNCC1CCOCC1 2230a_100020586998_100000754603 [0,0,0,1,0,0|3,0,0]=4 9095 B11R1.28 C=CCNCC1CCOCC1 34a_100000746373_100015514636 [0,0,0,1,0,0|3,0,0]=4 9096 B11R1.28 C=CCNCC1CCSCC1 2230a_100015188806_100000210623 [0,0,0,1,0,0|3,0,0]=4 9097 B11R1.28 C=CCNCC1CCSCC1 270004a_100020586998_100000067145 [0,0,0,1,0,0|3,0,0]=4 9098 B11R1.28 C=CCNCC1CCSCC1 34a_100015188806_100015514636 [0,0,0,1,0,0|3,0,0]=4 9099 B11R1.28 C=CCOCC1CCCCC1 34a_100000212181_100015514636 [0,0,0,1,0,0|2,0,0]=3 9100 B11R1.28 C=CCOCC1CCCCC1 34a_200000210373_100000211423 [0,0,0,1,0,0|2,0,0]=3 9101 B11R1.28 C=CCOCC1CCCCC1 7a_100000212181_100015514636 [0,0,0,1,0,0|2,0,0]=3 9102 B11R1.28 C=CCOCC1CCCCN1 34a_100000210821_100015514636 [0,0,0,1,0,0|3,0,0]=4 9103 B11R1.28 C=CCOCC1CCCCO1 34a_100000211370_100015514636 [0,0,0,1,0,0|3,0,0]=4 9104 B11R1.28 C=CCOCC1CCCCO1 34a_200000210373_100000211543 [0,0,0,1,0,0|3,0,0]=4 9105 B11R1.28 C=CCOCC1CCCCO1 7a_100000211370_100015514636 [0,0,0,1,0,0|3,0,0]=4 9106 B11R1.28 C=CCOCC1CCCNC1 34a_100000211344_100015514636 [0,0,0,1,0,0|3,0,0]=4 9107 B11R1.28 C=CCOCC1CCCOC1 34a_100000741520_100015514636 [0,0,0,1,0,0|3,0,0]=4 9108 B11R1.28 C=CCOCC1CCCOC1 34a_200000210373_100000741521 [0,0,0,1,0,0|3,0,0]=4 9109 B11R1.28 C=CCOCC1CCNCC1 34a_100000738675_100015514636 [0,0,0,1,0,0|3,0,0]=4 9110 B11R1.28 C=CCOCC1CCOCC1 34a_100000749013_100015514636 [0,0,0,1,0,0|3,0,0]=4 9111 B11R1.28 C=CCOCC1CCOCC1 34a_200000210373_100000754603 [0,0,0,1,0,0|3,0,0]=4 9112 B11R1.28 C=CCOCC1CCSCC1 34a_100000070558_100015514636 [0,0,0,1,0,0|3,0,0]=4 9113 B11R1.28 C=CCOCC1CCSCC1 7a_100000070558_100015514636 [0,0,0,1,0,0|3,0,0]=4 9114 B11R1.28 C=CCSCC1CCCCC1 62a_100000210623_100000211423 [0,0,0,1,0,0|2,0,0]=3 9115 B11R1.28 C=CCSCC1CCCCC1 62a_100000211423_100000210623 [0,0,0,1,0,0|2,0,0]=3 9116 B11R1.28 C=CCSCC1CCCCO1 62a_100000210623_100000211543 [0,0,0,1,0,0|3,0,0]=4 9117 B11R1.28 C=CCSCC1CCCCO1 62a_100000211543_100000210623 [0,0,0,1,0,0|3,0,0]=4 9118 B11R1.28 C=CCSCC1CCCOC1 62a_100000210623_100000741521 [0,0,0,1,0,0|3,0,0]=4 9119 B11R1.28 C=CCSCC1CCCOC1 62a_100000741521_100000210623 [0,0,0,1,0,0|3,0,0]=4 9120 B11R1.28 C=CCSCC1CCOCC1 62a_100000210623_100000749018 [0,0,0,1,0,0|3,0,0]=4 9121 B11R1.28 C=CCSCC1CCOCC1 62a_100000754603_100000210623 [0,0,0,1,0,0|3,0,0]=4 9122 B11R1.28 CC=CCNC1CCCCC1 2230a_100000182618_100000070051 [0,0,0,1,0,0|2,0,1]=4 9123 B11R1.28 CC=CCNC1CCCCC1 34a_100000182618_100000070051 [0,0,0,1,0,0|2,0,1]=4 9124 B11R1.28 CC=CCOC1CCCCC1 34a_100000210231_100000070051 [0,0,0,1,0,0|2,0,1]=4 9125 B11R1.28 CC=CCOC1CCCCC1 7a_100000210231_100000070051 [0,0,0,1,0,0|2,0,1]=4 9126 B11R1.28 CC=CCSC1CCCCC1 62a_100000070051_100000210327 [0,0,0,1,0,0|2,0,1]=4 9127 B11R1.28 CC=CCSC1CCCCC1 62a_100000210327_100000070051 [0,0,0,1,0,0|2,0,1]=4 9128 B11R1.28 CC=NNCC1CCCCC1 4a_100000740227_200000210099 [0,0,0,1,0,0|3,0,0]=4 9129 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [0,0,0,1,0,0|2,0,1]=4 9130 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [0,0,0,1,0,0|2,0,1]=4 9131 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [0,0,0,1,0,0|2,0,1]=4 9132 B11R1.28 CCCCCN1CCCOC1 2230a_100000131196_100000210326 [0,0,0,1,0,0|3,0,0]=4 9133 B11R1.28 CCCCCN1CCCOC1 269982a_100000131196_100000210215 [0,0,0,1,0,0|3,0,0]=4 9134 B11R1.28 CCCCCN1CCCOC1 34a_100000131196_100000718602 [0,0,0,1,0,0|3,0,0]=4 9135 B11R1.28 CCCCNC1C=CCCC1 2230a_100000102301_100000751183 [0,0,0,1,0,0|2,0,0]=3 9136 B11R1.28 CCCCNC1C=CCCC1 7a_106832991798_100000751183 [0,0,0,1,0,0|2,0,0]=3 9137 B11R1.28 CCCCNC1CCCCC1 2230a_100000182618_100000210211 [0,0,0,1,0,0|2,0,1]=4 9138 B11R1.28 CCCCNC1CCCCC1 270004a_100000102301_100000210434 [0,0,0,1,0,0|2,0,1]=4 9139 B11R1.28 CCCCNC1CCCCC1 34a_100000182618_100000210210 [0,0,0,1,0,0|2,0,1]=4 9140 B11R1.28 CCCCNC1CCCCC1 7a_106832991798_100000210327 [0,0,0,1,0,0|2,0,1]=4 9141 B11R1.28 CCCCNC1CCCOC1 2230a_100000719290_100000210211 [0,0,0,1,0,0|3,0,0]=4 9142 B11R1.28 CCCCNC1CCCOC1 270004a_100000102301_100000753404 [0,0,0,1,0,0|3,0,0]=4 9143 B11R1.28 CCCCNC1CCCOC1 34a_100000719290_100000210210 [0,0,0,1,0,0|3,0,0]=4 9144 B11R1.28 CCCCNC1CCCOC1 7a_106832991798_100000693364 [0,0,0,1,0,0|3,0,0]=4 9145 B11R1.28 CCCCNC1CCCSC1 270004a_100000102301_100000057913 [0,0,0,1,0,0|3,0,0]=4 9146 B11R1.28 CCCCOC1C=CCCC1 34a_100011215024_100000210210 [0,0,0,1,0,0|2,0,0]=3 9147 B11R1.28 CCCCOC1C=CCCC1 7a_100000210227_100000751183 [0,0,0,1,0,0|2,0,0]=3 9148 B11R1.28 CCCCOC1CC=CCC1 34a_100000073881_100000210210 [0,0,0,1,0,0|2,0,1]=4 9149 B11R1.28 CCCCOC1CCCCC1 34a_100000210227_100000210327 [0,0,0,1,0,0|2,0,1]=4 9150 B11R1.28 CCCCOC1CCCCC1 34a_100000210231_100000210210 [0,0,0,1,0,0|2,0,1]=4 9151 B11R1.28 CCCCOC1CCCCC1 7a_100000210227_100000210327 [0,0,0,1,0,0|2,0,1]=4 9152 B11R1.28 CCCCOC1CCCCC1 7a_100000210231_100000210211 [0,0,0,1,0,0|2,0,1]=4 9153 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [0,0,0,1,0,0|1,0,2]=4 9154 B11R1.28 CCCCOC1CCCOC1 34a_100000210227_100000693364 [0,0,0,1,0,0|3,0,0]=4 9155 B11R1.28 CCCCOC1CCCOC1 34a_100000754041_100000210210 [0,0,0,1,0,0|3,0,0]=4 9156 B11R1.28 CCCCOC1CCCOC1 7a_100000210227_100000693364 [0,0,0,1,0,0|3,0,0]=4 9157 B11R1.28 CCCCOC1CCCSC1 7a_100015962668_100000210211 [0,0,0,1,0,0|3,0,0]=4 9158 B11R1.28 CCCCSC1C=CCCC1 62a_100000210211_100000751183 [0,0,0,1,0,0|2,0,0]=3 9159 B11R1.28 CCCCSC1C=CCCC1 62a_100000751183_100000210210 [0,0,0,1,0,0|2,0,0]=3 9160 B11R1.28 CCCCSC1CCCCC1 62a_100000210211_100000210327 [0,0,0,1,0,0|2,0,1]=4 9161 B11R1.28 CCCCSC1CCCCC1 62a_100000210327_100000210210 [0,0,0,1,0,0|2,0,1]=4 9162 B11R1.28 CCCCSC1CCCOC1 62a_100000210211_100000693364 [0,0,0,1,0,0|3,0,0]=4 9163 B11R1.28 CCCNCC1CC=CCC1 270004a_100020643023_100000189434 [0,0,0,1,0,0|2,0,1]=4 9164 B11R1.28 CCCNCC1CCCCC1 2230a_100000210473_100000210303 [0,0,0,1,0,0|2,0,1]=4 9165 B11R1.28 CCCNCC1CCCCC1 269862a_100020643023_100000211278 [0,0,0,1,0,0|2,0,1]=4 9166 B11R1.28 CCCNCC1CCCCC1 34a_100000210473_100000210303 [0,0,0,1,0,0|2,0,1]=4 9167 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [0,0,0,1,0,0|1,0,2]=4 9168 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [0,0,0,1,0,0|1,0,2]=4 9169 B11R1.28 CCCNCC1CCCOC1 2230a_100000720124_100000210303 [0,0,0,1,0,0|3,0,0]=4 9170 B11R1.28 CCCNCC1CCCOC1 34a_100000720124_100000210303 [0,0,0,1,0,0|3,0,0]=4 9171 B11R1.28 CCCOCC1CC=CCC1 34a_100000210713_100000210303 [0,0,0,1,0,0|2,0,1]=4 9172 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [0,0,0,1,0,0|1,0,2]=4 9173 B11R1.28 CCCOCC1CCCCC1 34a_100000210258_100000211423 [0,0,0,1,0,0|2,0,1]=4 9174 B11R1.28 CCCOCC1CCCCC1 34a_100000212181_100000210303 [0,0,0,1,0,0|2,0,1]=4 9175 B11R1.28 CCCOCC1CCCCC1 7a_100000212181_100000210303 [0,0,0,1,0,0|2,0,1]=4 9176 B11R1.28 CCCOCC1CCCCN1 34a_100000210821_100000210303 [0,0,0,1,0,0|2,0,1]=4 9177 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [0,0,0,1,0,0|1,0,2]=4 9178 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [0,0,0,1,0,0|1,0,2]=4 9179 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [0,0,0,1,0,0|1,0,2]=4 9180 B11R1.28 CCCOCC1CCCNC1 34a_100000211344_100000210303 [0,0,0,1,0,0|3,0,0]=4 9181 B11R1.28 CCCOCC1CCCOC1 34a_100000210258_100000741521 [0,0,0,1,0,0|3,0,0]=4 9182 B11R1.28 CCCOCC1CCCOC1 34a_100000741520_100000210303 [0,0,0,1,0,0|3,0,0]=4 9183 B11R1.28 CCCSCC1CCCCC1 62a_100000210303_100000211423 [0,0,0,1,0,0|2,0,1]=4 9184 B11R1.28 CCCSCC1CCCCC1 62a_100000211423_100000210303 [0,0,0,1,0,0|2,0,1]=4 9185 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [0,0,0,1,0,0|1,0,2]=4 9186 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [0,0,0,1,0,0|1,0,2]=4 9187 B11R1.28 CCCSCC1CCCOC1 62a_100000210303_100000741521 [0,0,0,1,0,0|3,0,0]=4 9188 B11R1.28 CCCSCC1CCCOC1 62a_100000741521_100000210303 [0,0,0,1,0,0|3,0,0]=4 9189 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [0,0,0,1,0,0|2,0,1]=4 9190 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [0,0,0,1,0,0|2,0,1]=4 9191 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [0,0,0,1,0,0|2,0,1]=4 9192 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [0,0,0,1,0,0|2,0,1]=4 9193 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [0,0,0,1,0,0|1,0,2]=4 9194 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [0,0,0,1,0,0|1,0,2]=4 9195 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [0,0,0,1,0,0|2,0,1]=4 9196 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [0,0,0,1,0,0|2,0,1]=4 9197 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [0,0,0,1,0,0|2,0,1]=4 9198 B11R1.28 CCOCCC1CCCCN1 34a_100000211664_100000210202 [0,0,0,1,0,0|2,0,1]=4 9199 B11R1.28 CCOCCC1CCCNC1 34a_100000752241_100000210202 [0,0,0,1,0,0|3,0,0]=4 9200 B11R1.28 CCOCSC1C=CCCC1 62a_100000739092_100000751183 [0,0,0,1,0,0|3,0,0]=4 9201 B11R1.28 CCOCSC1C=CCCC1 62a_100000751183_100000739092 [0,0,0,1,0,0|3,0,0]=4 9202 B11R1.28 CCSCCC1CCCCC1 62a_100000210202_100012355289 [0,0,0,1,0,0|2,0,1]=4 9203 B11R1.28 CCSCCC1CCCCC1 62a_100012355289_100000210202 [0,0,0,1,0,0|2,0,1]=4 9204 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [0,0,0,1,0,0|2,0,0]=3 9205 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [0,0,0,1,0,0|2,0,0]=3 9206 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [0,0,0,1,0,0|2,0,0]=3 9207 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [0,0,0,1,0,0|2,0,0]=3 9208 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [0,0,0,1,0,0|2,0,0]=3 9209 B11R1.28 CNCCCN1CCCCC1 2230a_106832991635_100000690320 [0,0,0,1,0,0|3,0,0]=4 9210 B11R1.28 CNCCCN1CCCCC1 34a_100102657272_100000690320 [0,0,0,1,0,0|3,0,0]=4 9211 B11R1.28 CNCCCN1CCCCC1 7a_106832991635_100000007876 [0,0,0,1,0,0|3,0,0]=4 9212 B11R1.28 CNCCOC1CCCCC1 2230a_106832991635_100011211530 [0,0,0,1,0,0|3,0,0]=4 9213 B11R1.28 CNCCOC1CCCCC1 34a_100015206981_200000210301 [0,0,0,1,0,0|3,0,0]=4 9214 B11R1.28 CNCCOC1CCCCC1 34a_100102657272_100011211530 [0,0,0,1,0,0|3,0,0]=4 9215 B11R1.28 CNCCOC1CCCCC1 7a_106832991635_100011211530 [0,0,0,1,0,0|3,0,0]=4 9216 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [0,0,0,1,0,0|2,0,0]=3 9217 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [0,0,0,1,0,0|2,0,0]=3 9218 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [0,0,0,1,0,0|2,0,0]=3 9219 B11R1.28 COCCCC1CCCCN1 34a_100011934581_200000210301 [0,0,0,1,0,0|2,0,1]=4 9220 B11R1.28 COCCCC1CCCNC1 34a_100150707839_200000210301 [0,0,0,1,0,0|3,0,0]=4 9221 B11R1.28 COCCCC1CCNCC1 34a_100016988962_200000210301 [0,0,0,1,0,0|3,0,0]=4 9222 B11R1.28 COCCCN1CCCCC1 34a_100000212458_200000210301 [0,0,0,1,0,0|3,0,0]=4 9223 B11R1.28 COCCCN1CCCCC1 34a_100138415774_100000690320 [0,0,0,1,0,0|3,0,0]=4 9224 B11R1.28 COCCNC1C=CCCC1 2230a_100000209980_100000751183 [0,0,0,1,0,0|3,0,0]=4 9225 B11R1.28 COCCNC1CCCCC1 2230a_100000182618_100011201679 [0,0,0,1,0,0|3,0,0]=4 9226 B11R1.28 COCCNC1CCCCC1 270004a_100000209980_100000210434 [0,0,0,1,0,0|3,0,0]=4 9227 B11R1.28 COCCNC1CCCCC1 34a_100000182618_100011201679 [0,0,0,1,0,0|3,0,0]=4 9228 B11R1.28 COCCNC1CCCCC1 34a_100000200466_200000210301 [0,0,0,1,0,0|3,0,0]=4 9229 B11R1.28 COCCOC1C=CCCC1 34a_100011215024_100011201679 [0,0,0,1,0,0|3,0,0]=4 9230 B11R1.28 COCCOC1CCCCC1 34a_100000210231_100011201679 [0,0,0,1,0,0|3,0,0]=4 9231 B11R1.28 COCCOC1CCCCC1 34a_100000210237_100000210327 [0,0,0,1,0,0|3,0,0]=4 9232 B11R1.28 COCCOC1CCCCC1 34a_100011249652_200000210301 [0,0,0,1,0,0|3,0,0]=4 9233 B11R1.28 COCCOC1CCCCC1 34a_100138415774_100011211530 [0,0,0,1,0,0|3,0,0]=4 9234 B11R1.28 COCCOC1CCCCC1 7a_100000210231_100000233755 [0,0,0,1,0,0|3,0,0]=4 9235 B11R1.28 COCCOC1CCCCC1 7a_100011249652_200000210301 [0,0,0,1,0,0|3,0,0]=4 9236 B11R1.28 COCCSC1C=CCCC1 62a_100000233755_100000751183 [0,0,0,1,0,0|3,0,0]=4 9237 B11R1.28 COCCSC1C=CCCC1 62a_100000751183_100000233755 [0,0,0,1,0,0|3,0,0]=4 9238 B11R1.28 COCCSC1CCCCC1 62a_100000210327_100000233755 [0,0,0,1,0,0|3,0,0]=4 9239 B11R1.28 COCCSC1CCCCC1 62a_100000233755_100000210327 [0,0,0,1,0,0|3,0,0]=4 9240 B11R1.28 COCNCC1CCCCC1 2230a_100000210473_100000766300 [0,0,0,1,0,0|3,0,0]=4 9241 B11R1.28 COCSCC1CCCCC1 62a_100000211423_100000766300 [0,0,0,1,0,0|3,0,0]=4 9242 B11R1.28 COCSCC1CCCCC1 62a_100000766300_100000211423 [0,0,0,1,0,0|3,0,0]=4 9243 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [0,0,0,1,0,0|2,0,0]=3 9244 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [0,0,0,1,0,0|2,0,0]=3 9245 B11R1.28 CSCCCN1CCCCC1 62a_100132302099_200000210301 [0,0,0,1,0,0|3,0,0]=4 9246 B11R1.28 CSCCCN1CCCCC1 62a_200000210301_100000007876 [0,0,0,1,0,0|3,0,0]=4 9247 B11R1.28 CSCCNC1C=CCCC1 2230a_100020590264_100000751183 [0,0,0,1,0,0|3,0,0]=4 9248 B11R1.28 CSCCNC1CCCCC1 2230a_100000182618_100000751147 [0,0,0,1,0,0|3,0,0]=4 9249 B11R1.28 CSCCNC1CCCCC1 270004a_100020590264_100000210434 [0,0,0,1,0,0|3,0,0]=4 9250 B11R1.28 CSCCNC1CCCCC1 34a_100000182618_100000212216 [0,0,0,1,0,0|3,0,0]=4 9251 B11R1.28 CSCCOC1C=CCCC1 34a_100011215024_100000212216 [0,0,0,1,0,0|3,0,0]=4 9252 B11R1.28 CSCCOC1C=CCCC1 7a_100000230434_100000751183 [0,0,0,1,0,0|3,0,0]=4 9253 B11R1.28 CSCCOC1CCCCC1 34a_100000210231_100000212216 [0,0,0,1,0,0|3,0,0]=4 9254 B11R1.28 CSCCOC1CCCCC1 34a_100000230434_100000210327 [0,0,0,1,0,0|3,0,0]=4 9255 B11R1.28 CSCCOC1CCCCC1 62a_100011211530_200000210301 [0,0,0,1,0,0|3,0,0]=4 9256 B11R1.28 CSCCOC1CCCCC1 62a_200000210301_100011211530 [0,0,0,1,0,0|3,0,0]=4 9257 B11R1.28 CSCCOC1CCCCC1 7a_100000210231_100000212216 [0,0,0,1,0,0|3,0,0]=4 9258 B11R1.28 CSCCOC1CCCCC1 7a_100000230434_100000210327 [0,0,0,1,0,0|3,0,0]=4 9259 B11R1.28 CSCCSC1C=CCCC1 62a_100000212216_100000751183 [0,0,0,1,0,0|3,0,0]=4 9260 B11R1.28 CSCCSC1C=CCCC1 62a_100000751183_100000751147 [0,0,0,1,0,0|3,0,0]=4 9261 B11R1.28 CSCCSC1CCCCC1 62a_100000210327_100000751147 [0,0,0,1,0,0|3,0,0]=4 9262 B11R1.28 CSCCSC1CCCCC1 62a_100000212216_100000210327 [0,0,0,1,0,0|3,0,0]=4 9263 B11R1.28 CSCNCC1CCCCC1 2230a_100000210473_100011218213 [0,0,0,1,0,0|3,0,0]=4 9264 B11R1.28 CSCNCC1CCCCC1 34a_100000210473_100011218213 [0,0,0,1,0,0|3,0,0]=4 9265 B11R1.28 CSCOCC1CCCCC1 34a_100000212181_100011218213 [0,0,0,1,0,0|3,0,0]=4 9266 B11R1.28 CSCSCC1CCCCC1 62a_100000211423_100011218213 [0,0,0,1,0,0|3,0,0]=4 9267 B11R1.28 CSCSCC1CCCCC1 62a_100011218213_100000211423 [0,0,0,1,0,0|3,0,0]=4 9268 B11R1.28 ClCCCOC1CCCCC1 34a_100000230001_100000210327 [0,0,0,1,0,0|2,0,1]=4 9269 B11R1.28 FCCCNC1C=CCCC1 2230a_100015189416_100000751183 [0,0,0,1,0,0|3,0,0]=4 9270 B11R1.28 FCCCNC1CCCCC1 2230a_100000182618_100011934791 [0,0,0,1,0,0|2,0,1]=4 9271 B11R1.28 FCCCNC1CCCCC1 270004a_100015189416_100000210434 [0,0,0,1,0,0|2,0,1]=4 9272 B11R1.28 FCCCNC1CCCCC1 34a_100000182618_100011934791 [0,0,0,1,0,0|2,0,1]=4 9273 B11R1.28 FCCCNC1CCCCC1 34a_100015189416_100000210327 [0,0,0,1,0,0|2,0,1]=4 9274 B11R1.28 FCCCOC1C=CCCC1 34a_100011215024_100011934791 [0,0,0,1,0,0|3,0,0]=4 9275 B11R1.28 FCCCOC1CCCCC1 34a_100000210231_100011934791 [0,0,0,1,0,0|2,0,1]=4 9276 B11R1.28 FCCCOC1CCCCC1 34a_100000759539_100000210327 [0,0,0,1,0,0|2,0,1]=4 9277 B11R1.28 FCCCOC1CCCCC1 7a_100000210231_100011934791 [0,0,0,1,0,0|2,0,1]=4 9278 B11R1.28 FCCCSC1C=CCCC1 62a_100000751183_100011934791 [0,0,0,1,0,0|3,0,0]=4 9279 B11R1.28 FCCCSC1C=CCCC1 62a_100011934791_100000751183 [0,0,0,1,0,0|3,0,0]=4 9280 B11R1.28 FCCCSC1CCCCC1 62a_100000210327_100011934791 [0,0,0,1,0,0|2,0,1]=4 9281 B11R1.28 FCCCSC1CCCCC1 62a_100011934791_100000210327 [0,0,0,1,0,0|2,0,1]=4 9282 B11R1.28 FCCNCC1CCCCC1 2230a_100000210473_100011217306 [0,0,0,1,0,0|2,0,1]=4 9283 B11R1.28 FCCNCC1CCCCC1 269862a_100000724931_100000211278 [0,0,0,1,0,0|2,0,1]=4 9284 B11R1.28 FCCNCC1CCCCC1 34a_100000210473_100011217306 [0,0,0,1,0,0|2,0,1]=4 9285 B11R1.28 FCCNCC1CCCCC1 34a_100000724931_100000211423 [0,0,0,1,0,0|2,0,1]=4 9286 B11R1.28 FCCOCC1CCCCC1 34a_100000212181_100011217306 [0,0,0,1,0,0|2,0,1]=4 9287 B11R1.28 FCCOCC1CCCCC1 7a_100000212181_100011217306 [0,0,0,1,0,0|2,0,1]=4 9288 B11R1.28 FCCSCC1CCCCC1 62a_100000211423_100011217306 [0,0,0,1,0,0|2,0,1]=4 9289 B11R1.28 FCCSCC1CCCCC1 62a_100011217306_100000211423 [0,0,0,1,0,0|2,0,1]=4 9290 B11R1.28 FCNCCC1CCCCC1 34a_100000738074_100015361967 [0,0,0,1,0,0|2,0,1]=4 9291 B11R1.28 FCOCCC1CCCCC1 34a_100011217863_100015361967 [0,0,0,1,0,0|2,0,1]=4 9292 B11R1.28 FCOCCC1CCCCC1 7a_100011217863_100015361967 [0,0,0,1,0,0|2,0,1]=4 9293 B11R1.28 FCSCCC1CCCCC1 62a_100012355289_100015361967 [0,0,0,1,0,0|2,0,1]=4 9294 B11R1.28 FCSCCC1CCCCC1 62a_100015361967_100012355289 [0,0,0,1,0,0|2,0,1]=4 9295 B11R1.28 N#CCCNC1CCCCC1 2230a_100000182618_100011215226 [0,0,0,1,0,0|2,0,1]=4 9296 B11R1.28 N#CCCNC1CCCCC1 270004a_100000720768_100000210434 [0,0,0,1,0,0|2,0,1]=4 9297 B11R1.28 N#CCCOC1CCCCC1 7a_100000210231_100000184422 [0,0,0,1,0,0|2,0,1]=4 9298 B11R1.28 N#CCCSC1CCCCC1 62a_100000210327_100011215226 [0,0,0,1,0,0|2,0,1]=4 9299 B11R1.28 N#CCCSC1CCCCC1 62a_100011215226_100000210327 [0,0,0,1,0,0|2,0,1]=4 9300 B11R1.28 N#CCNCC1CCCCC1 2230a_100000210473_100011215382 [0,0,0,1,0,0|2,0,1]=4 9301 B11R1.28 N#CCOCC1CCCCC1 7a_100000212181_100011215382 [0,0,0,1,0,0|2,0,1]=4 9302 B11R1.28 N#CCSCC1CCCCC1 62a_100000211423_100011215382 [0,0,0,1,0,0|2,0,1]=4 9303 B11R1.28 N#CCSCC1CCCCC1 62a_100011215382_100000211423 [0,0,0,1,0,0|2,0,1]=4 9304 B11R1.28 NCCCOC1CCCCC1 34a_100000182051_100000210327 [0,0,0,1,0,0|2,0,1]=4 9305 B11R1.28 NCCOCC1CCCCC1 34a_100000210304_100000211423 [0,0,0,1,0,0|2,0,1]=4 9306 B11R1.28 NOCCOC1CCCCC1 34a_100000700252_100000210327 [0,0,0,1,0,0|3,0,0]=4 9307 B11R1.28 O=CCCCN1CC=CCC1 2230a_100000698166_200011292268 [0,0,0,1,0,0|1,0,2]=4 9308 B11R1.28 O=CCCCN1CC=CCC1 269982a_100000698166_200011292268 [0,0,0,1,0,0|1,0,2]=4 9309 B11R1.28 O=CCCCN1CCCOC1 2230a_100000131196_200011292268 [0,0,0,1,0,0|2,0,0]=3 9310 B11R1.28 O=CCCCN1CCCOC1 269982a_100000131196_200011292268 [0,0,0,1,0,0|2,0,0]=3 9311 B11R1.28 O=CCCCN1CCOCC1 2230a_100015191051_200011292268 [0,0,0,1,0,0|2,0,0]=3 9312 B11R1.28 O=CCCCN1CCOCC1 269982a_100015191051_200011292268 [0,0,0,1,0,0|2,0,0]=3 9313 B11R1.28 O=CCCCN1CCSCC1 2230a_100000737611_200011292268 [0,0,0,1,0,0|2,0,0]=3 9314 B11R1.28 O=CCCCN1CCSCC1 269982a_100000737611_200011292268 [0,0,0,1,0,0|2,0,0]=3 9315 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [0,0,0,1,0,0|1,0,0]=2 9316 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [0,0,0,1,0,0|1,0,0]=2 9317 B11R1.28 O=CCNCC1CCCCO1 2230a_100000174945_200015260668 [0,0,0,1,0,0|2,0,0]=3 9318 B11R1.28 O=CCNCC1CCCCO1 34a_100000174945_200009817547 [0,0,0,1,0,0|2,0,0]=3 9319 B11R1.28 O=CCNCC1CCCOC1 2230a_100000720124_200015260668 [0,0,0,1,0,0|2,0,0]=3 9320 B11R1.28 O=CCNCC1CCCOC1 34a_100000720124_200009817547 [0,0,0,1,0,0|2,0,0]=3 9321 B11R1.28 O=CCNCC1CCOCC1 2230a_100000746373_200015260668 [0,0,0,1,0,0|2,0,0]=3 9322 B11R1.28 O=CCNCC1CCOCC1 34a_100000746373_200009817547 [0,0,0,1,0,0|2,0,0]=3 9323 B11R1.28 O=CCNCC1CCSCC1 2230a_100015188806_200015260668 [0,0,0,1,0,0|2,0,0]=3 9324 B11R1.28 O=CCNCC1CCSCC1 34a_100015188806_200009817547 [0,0,0,1,0,0|2,0,0]=3 9325 B11R1.28 O=CCNC[C@H]1COCCO1 2230a_100010981119_200015260668 [0,0,0,1,0,0|3,0,0]=4 9326 B11R1.28 O=CCNC[C@H]1COCCO1 34a_100010981119_200009817547 [0,0,0,1,0,0|3,0,0]=4 9327 B11R1.28 O=CCOCC1CC=CCC1 34a_100000210713_200009817547 [0,0,0,1,0,0|1,0,2]=4 9328 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [0,0,0,1,0,0|1,0,0]=2 9329 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [0,0,0,1,0,0|1,0,0]=2 9330 B11R1.28 O=CCOCC1CCCCN1 34a_100000210821_200009817547 [0,0,0,1,0,0|2,0,0]=3 9331 B11R1.28 O=CCOCC1CCCCO1 34a_100000211370_200009817547 [0,0,0,1,0,0|2,0,0]=3 9332 B11R1.28 O=CCOCC1CCCCO1 7a_100000211370_200015260668 [0,0,0,1,0,0|2,0,0]=3 9333 B11R1.28 O=CCOCC1CCCNC1 34a_100000211344_200009817547 [0,0,0,1,0,0|2,0,0]=3 9334 B11R1.28 O=CCOCC1CCCOC1 34a_100000741520_200009817547 [0,0,0,1,0,0|2,0,0]=3 9335 B11R1.28 O=CCOCC1CCNCC1 34a_100000738675_200009817547 [0,0,0,1,0,0|2,0,0]=3 9336 B11R1.28 O=CCOCC1CCOCC1 34a_100000749013_200009817547 [0,0,0,1,0,0|2,0,0]=3 9337 B11R1.28 O=CCOCC1CCSCC1 34a_100000070558_200009817547 [0,0,0,1,0,0|2,0,0]=3 9338 B11R1.28 O=CCOCC1CCSCC1 7a_100000070558_200015260668 [0,0,0,1,0,0|2,0,0]=3 9339 B11R1.28 O=CCOC[C@@H]1CNCCO1 34a_100015189573_200009817547 [0,0,0,1,0,0|3,0,0]=4 9340 B11R1.28 O=CCOC[C@@H]1COCCN1 34a_100000717676_200009817547 [0,0,0,1,0,0|3,0,0]=4 9341 B11R1.28 O=CCOC[C@H]1COCCO1 34a_100009875890_200009817547 [0,0,0,1,0,0|3,0,0]=4 9342 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [0,0,0,1,0,0|1,0,0]=2 9343 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [0,0,0,1,0,0|1,0,0]=2 9344 B11R1.28 O=CCSCC1CCCCO1 62a_100000211543_200015260668 [0,0,0,1,0,0|2,0,0]=3 9345 B11R1.28 O=CCSCC1CCCCO1 62a_200015260668_100000211543 [0,0,0,1,0,0|2,0,0]=3 9346 B11R1.28 O=CCSCC1CCCOC1 62a_100000741521_200015260668 [0,0,0,1,0,0|2,0,0]=3 9347 B11R1.28 O=CCSCC1CCCOC1 62a_200015260668_100000741521 [0,0,0,1,0,0|2,0,0]=3 9348 B11R1.28 O=CCSCC1CCOCC1 62a_100000754603_200015260668 [0,0,0,1,0,0|2,0,0]=3 9349 B11R1.28 O=CCSCC1CCOCC1 62a_200015260668_100000749018 [0,0,0,1,0,0|2,0,0]=3 9350 B11R1.28 OCCCNC1CCCCC1 2230a_100000182618_100000230001 [0,0,0,1,0,0|1,0,2]=4 9351 B11R1.28 OCCCNC1CCCCC1 270004a_100000182051_100000210434 [0,0,0,1,0,0|1,0,2]=4 9352 B11R1.28 OCCCNC1CCCCC1 34a_100000182618_100000230001 [0,0,0,1,0,0|1,0,2]=4 9353 B11R1.28 OCCCOC1C=CCCC1 34a_100011215024_100000230001 [0,0,0,1,0,0|3,0,0]=4 9354 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [0,0,0,1,0,0|1,0,2]=4 9355 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [0,0,0,1,0,0|1,0,2]=4 9356 B11R1.28 OCCCSC1C=CCCC1 62a_100000751183_100011215043 [0,0,0,1,0,0|3,0,0]=4 9357 B11R1.28 OCCCSC1C=CCCC1 62a_100011215043_100000751183 [0,0,0,1,0,0|3,0,0]=4 9358 B11R1.28 OCCCSC1CCCCC1 62a_100000210327_100011215043 [0,0,0,1,0,0|1,0,2]=4 9359 B11R1.28 OCCCSC1CCCCC1 62a_100011215043_100000210327 [0,0,0,1,0,0|1,0,2]=4 9360 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [0,0,0,1,0,0|1,0,2]=4 9361 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [0,0,0,1,0,0|1,0,2]=4 9362 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [0,0,0,1,0,0|1,0,2]=4 9363 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [0,0,0,1,0,0|1,0,2]=4 9364 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [0,0,0,1,0,0|1,0,2]=4 9365 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [0,0,0,1,0,0|1,0,2]=4 9366 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [0,0,0,1,0,0|1,0,2]=4 9367 B11R1.28 OCCSCC1CCCCC1 62a_100000211423_100000211926 [0,0,0,1,0,0|1,0,2]=4 9368 B11R1.28 OCCSCC1CCCCC1 62a_100000211926_100000211423 [0,0,0,1,0,0|1,0,2]=4 9369 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [0,0,0,1,0,0|2,0,0]=3 9370 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [0,0,0,1,0,0|2,0,0]=3 9371 B11R1.28 [13CH3]NCCOC1CCCCC1 34a_100015206981_200025704644 [0,0,0,1,0,0|3,0,0]=4 9372 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [0,0,0,1,0,0|2,0,0]=3 9373 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [0,0,0,1,0,0|2,0,0]=3 9374 B11R1.28 [13CH3]OCCCC1CCCCN1 34a_100011934581_200025704644 [0,0,0,1,0,0|2,0,1]=4 9375 B11R1.28 [13CH3]OCCCC1CCCNC1 34a_100150707839_200025704644 [0,0,0,1,0,0|3,0,0]=4 9376 B11R1.28 [13CH3]OCCCC1CCNCC1 34a_100016988962_200025704644 [0,0,0,1,0,0|3,0,0]=4 9377 B11R1.28 [13CH3]OCCCN1CCCCC1 34a_100000212458_200025704644 [0,0,0,1,0,0|3,0,0]=4 9378 B11R1.28 [13CH3]OCCNC1CCCCC1 34a_100000200466_200025704644 [0,0,0,1,0,0|3,0,0]=4 9379 B11R1.28 [13CH3]OCCOC1CCCCC1 34a_100011249652_200025704644 [0,0,0,1,0,0|3,0,0]=4 9380 B11R1.28 [13CH3]OCCOC1CCCCC1 7a_100011249652_200025704644 [0,0,0,1,0,0|3,0,0]=4 9381 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [0,0,0,1,0,0|2,0,0]=3 9382 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [0,0,0,1,0,0|2,0,0]=3 9383 B11R1.28 [13CH3]SCCCN1CCCCC1 62a_100132302099_200025704644 [0,0,0,1,0,0|3,0,0]=4 9384 B11R1.28 [13CH3]SCCCN1CCCCC1 62a_200025704644_100000007876 [0,0,0,1,0,0|3,0,0]=4 9385 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_100011211530_200025704644 [0,0,0,1,0,0|3,0,0]=4 9386 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_200025704644_100011211530 [0,0,0,1,0,0|3,0,0]=4 9387 B11R1.41 C#CC1CCCCN1CC=O 2230a_200020621307_200015260668 [0,0,0,1,0,0|1,0,2]=4 9388 B11R1.41 C#CC1CCCCN1CC=O 269982a_200020621307_200015260668 [0,0,0,1,0,0|1,0,2]=4 9389 B11R1.41 C#CC1CCCCN1CC=O 34a_200020621307_200009817547 [0,0,0,1,0,0|1,0,2]=4 9390 B11R1.41 C#CC1CCCCN1CCC 2230a_200020621307_100000210303 [0,0,0,1,0,0|2,0,1]=4 9391 B11R1.41 C#CC1CCCCN1CCC 269982a_200020621307_100000210303 [0,0,0,1,0,0|2,0,1]=4 9392 B11R1.41 C#CC1CCCCN1CCC 34a_200020621307_100000210303 [0,0,0,1,0,0|2,0,1]=4 9393 B11R1.41 C#CCN1CCCCC1CC 2230a_100000210034_100000038162 [0,0,0,1,0,0|2,0,1]=4 9394 B11R1.41 C#CCN1CCCCC1CC 34a_100000210034_100000184674 [0,0,0,1,0,0|2,0,1]=4 9395 B11R1.41 C=CCC1CCCCC1NC 269862a_106832991636_100011214939 [0,0,0,1,0,0|2,0,0]=3 9396 B11R1.41 C=CCC1CCCCC1NC 270004a_106832991635_100011214939 [0,0,0,1,0,0|2,0,0]=3 9397 B11R1.41 C=CCN1CCCCC1CC 2230a_100000210034_100000210623 [0,0,0,1,0,0|2,0,0]=3 9398 B11R1.41 C=CCN1CCCCC1CC 269982a_100000210034_100000210623 [0,0,0,1,0,0|2,0,0]=3 9399 B11R1.41 C=CCN1CCCCC1CC 34a_100000210034_100015514636 [0,0,0,1,0,0|2,0,0]=3 9400 B11R1.41 C=CCN1CCCCC1CO 2230a_100000210821_100000210623 [0,0,0,1,0,0|3,0,0]=4 9401 B11R1.41 C=CCN1CCCCC1CO 269982a_100000210821_100000210623 [0,0,0,1,0,0|3,0,0]=4 9402 B11R1.41 C=CCN1CCCCC1CO 34a_100000210821_100015514636 [0,0,0,1,0,0|3,0,0]=4 9403 B11R1.41 C=CCN1CCOC[C@@H]1CC 2230a_100016988097_100000210623 [0,0,0,1,0,0|3,0,0]=4 9404 B11R1.41 C=CCN1CCOC[C@@H]1CC 269982a_100016988097_100000210623 [0,0,0,1,0,0|3,0,0]=4 9405 B11R1.41 C=CCN1CCOC[C@@H]1CC 34a_100016988097_100015514636 [0,0,0,1,0,0|3,0,0]=4 9406 B11R1.41 CCC1CCCCC1OCF 34a_100000210738_100015361967 [0,0,0,1,0,0|2,0,1]=4 9407 B11R1.41 CCC1CCCCC1OCF 7a_100000210738_100015361967 [0,0,0,1,0,0|2,0,1]=4 9408 B11R1.41 CCC1CCCCN1CC#N 2230a_100000210034_100011215382 [0,0,0,1,0,0|2,0,1]=4 9409 B11R1.41 CCC1CCCCN1CC#N 269982a_100000210034_100011214920 [0,0,0,1,0,0|2,0,1]=4 9410 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [0,0,0,1,0,0|1,0,0]=2 9411 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [0,0,0,1,0,0|1,0,0]=2 9412 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [0,0,0,1,0,0|1,0,0]=2 9413 B11R1.41 CCC1CCCCN1CCF 2230a_100000210034_100011217306 [0,0,0,1,0,0|2,0,1]=4 9414 B11R1.41 CCC1CCCCN1CCF 269982a_100000210034_100011217306 [0,0,0,1,0,0|2,0,1]=4 9415 B11R1.41 CCC1CCCCN1CCF 34a_100000210034_100011217306 [0,0,0,1,0,0|2,0,1]=4 9416 B11R1.41 CCC1CCCCN1CCO 2230a_100000210034_100000211926 [0,0,0,1,0,0|1,0,2]=4 9417 B11R1.41 CCC1CCCCN1CCO 269982a_100000210034_100000211926 [0,0,0,1,0,0|1,0,2]=4 9418 B11R1.41 CCC1CCCCN1CCO 34a_100000210034_100000211926 [0,0,0,1,0,0|1,0,2]=4 9419 B11R1.41 CCC1CCCCN1COC 2230a_100000210034_100000766300 [0,0,0,1,0,0|3,0,0]=4 9420 B11R1.41 CCC1CCCCN1COC 269982a_100000210034_100000766300 [0,0,0,1,0,0|3,0,0]=4 9421 B11R1.41 CCC1CCCCN1CSC 2230a_100000210034_100011218213 [0,0,0,1,0,0|3,0,0]=4 9422 B11R1.41 CCC1CCCCN1CSC 269982a_100000210034_100011218213 [0,0,0,1,0,0|3,0,0]=4 9423 B11R1.41 CCC1CCCCN1CSC 34a_100000210034_100011218213 [0,0,0,1,0,0|3,0,0]=4 9424 B11R1.41 CCCC1CCCCC1NC 269862a_106832991636_100011218038 [0,0,0,1,0,0|2,0,0]=3 9425 B11R1.41 CCCC1CCCCC1NC 270004a_106832991635_100011218038 [0,0,0,1,0,0|2,0,0]=3 9426 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [0,0,0,1,0,0|2,0,0]=3 9427 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [0,0,0,1,0,0|2,0,0]=3 9428 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [0,0,0,1,0,0|2,0,0]=3 9429 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [0,0,0,1,0,0|2,0,0]=3 9430 B11R1.41 CCCC1CCCCN1CC 2230a_100000701414_100000210202 [0,0,0,1,0,0|2,0,1]=4 9431 B11R1.41 CCCC1CCCCN1CC 269982a_100000701414_100000204670 [0,0,0,1,0,0|2,0,1]=4 9432 B11R1.41 CCCC1CCCCN1CC 34a_100000701414_100000210202 [0,0,0,1,0,0|2,0,1]=4 9433 B11R1.41 CCCC1CCCCN1CF 269982a_100000701414_100015361967 [0,0,0,1,0,0|2,0,1]=4 9434 B11R1.41 CCCC1CCCCN1CF 34a_100000701414_100015361967 [0,0,0,1,0,0|2,0,1]=4 9435 B11R1.41 CCCN1CCCCC1C#N 34a_100016989756_100000210303 [0,0,0,1,0,0|2,0,1]=4 9436 B11R1.41 CCCN1CCCCC1CC 2230a_100000210034_100000210303 [0,0,0,1,0,0|2,0,1]=4 9437 B11R1.41 CCCN1CCCCC1CC 269982a_100000210034_100000210303 [0,0,0,1,0,0|2,0,1]=4 9438 B11R1.41 CCCN1CCCCC1CC 34a_100000210034_100000210303 [0,0,0,1,0,0|2,0,1]=4 9439 B11R1.41 CCCN1CCCCC1CO 2230a_100000210821_100000210303 [0,0,0,1,0,0|1,0,2]=4 9440 B11R1.41 CCCN1CCCCC1CO 269982a_100000210821_100000210303 [0,0,0,1,0,0|1,0,2]=4 9441 B11R1.41 CCCN1CCCCC1CO 34a_100000210821_100000210303 [0,0,0,1,0,0|1,0,2]=4 9442 B11R1.41 CCN1CCCCC1CC#N 2230a_100000133382_100000210202 [0,0,0,1,0,0|2,0,1]=4 9443 B11R1.41 CCN1CCCCC1CC#N 34a_100000133382_100000210202 [0,0,0,1,0,0|2,0,1]=4 9444 B11R1.41 CCN1CCCCC1CCO 2230a_100000211664_100000210202 [0,0,0,1,0,0|1,0,2]=4 9445 B11R1.41 CCN1CCCCC1CCO 269982a_100000211664_100000204670 [0,0,0,1,0,0|1,0,2]=4 9446 B11R1.41 CCN1CCCCC1CCO 34a_100000211664_100000210202 [0,0,0,1,0,0|1,0,2]=4 9447 B11R1.41 CCN1CCCCC1CNC 2230a_100000754393_200000210301 [0,0,0,1,0,0|3,0,0]=4 9448 B11R1.41 CCN1CCCCC1CNC 34a_100000754393_200000210301 [0,0,0,1,0,0|3,0,0]=4 9449 B11R1.41 CCN1CCCCC1CN[13CH3] 2230a_100000754393_200025704644 [0,0,0,1,0,0|3,0,0]=4 9450 B11R1.41 CCN1CCCCC1CN[13CH3] 34a_100000754393_200025704644 [0,0,0,1,0,0|3,0,0]=4 9451 B11R1.41 CCN1CCCCC1COC 2230a_100015184032_100000210202 [0,0,0,1,0,0|3,0,0]=4 9452 B11R1.41 CCN1CCCCC1COC 269982a_100015184032_100000204670 [0,0,0,1,0,0|3,0,0]=4 9453 B11R1.41 CCN1CCCCC1COC 34a_100000225091_200000210301 [0,0,0,1,0,0|3,0,0]=4 9454 B11R1.41 CCN1CCCCC1COC 34a_100015184032_100000210202 [0,0,0,1,0,0|3,0,0]=4 9455 B11R1.41 CCN1CCCCC1COC 7a_100000225091_200000210301 [0,0,0,1,0,0|3,0,0]=4 9456 B11R1.41 CCN1CCCCC1CO[13CH3] 34a_100000225091_200025704644 [0,0,0,1,0,0|3,0,0]=4 9457 B11R1.41 CCN1CCCCC1CO[13CH3] 7a_100000225091_200025704644 [0,0,0,1,0,0|3,0,0]=4 9458 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [0,0,0,1,0,0|2,0,1]=4 9459 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [0,0,0,1,0,0|2,0,1]=4 9460 B11R1.41 CCNC1CCCCC1CO 270004a_100015525214_100009861125 [0,0,0,1,0,0|1,0,2]=4 9461 B11R1.41 CCNC1CCCCC1OC 270004a_100015525214_100000740605 [0,0,0,1,0,0|3,0,0]=4 9462 B11R1.41 CCNC1CCCCC1OC 34a_100011208099_100000210202 [0,0,0,1,0,0|3,0,0]=4 9463 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [0,0,0,1,0,0|2,0,1]=4 9464 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [0,0,0,1,0,0|2,0,1]=4 9465 B11R1.41 CCOC1CCCCC1CN 34a_100011216029_100000210202 [0,0,0,1,0,0|2,0,1]=4 9466 B11R1.41 CCOC1CCCCC1NC 270004a_106832991635_200000031474 [0,0,0,1,0,0|3,0,0]=4 9467 B11R1.41 CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210202 [0,0,0,1,0,0|3,0,0]=4 9468 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210202 [0,0,0,1,0,0|3,0,0]=4 9469 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210202 [0,0,0,1,0,0|3,0,0]=4 9470 B11R1.41 CC[C@H]1COCCN1CC=O 2230a_100016988097_200015260668 [0,0,0,1,0,0|2,0,0]=3 9471 B11R1.41 CC[C@H]1COCCN1CC=O 269982a_100016988097_200015260668 [0,0,0,1,0,0|2,0,0]=3 9472 B11R1.41 CC[C@H]1COCCN1CC=O 34a_100016988097_200009817547 [0,0,0,1,0,0|2,0,0]=3 9473 B11R1.41 CNC1CCCCC1CC#N 270004a_106832991635_100009866218 [0,0,0,1,0,0|2,0,1]=4 9474 B11R1.41 N#CC1CCCCN1CC=O 34a_100016989756_200009817547 [0,0,0,1,0,0|2,0,1]=4 9475 B11R1.41 O=CCN1CCCCC1CO 2230a_100000210821_200015260668 [0,0,0,1,0,0|2,0,0]=3 9476 B11R1.41 O=CCN1CCCCC1CO 269982a_100000210821_200015260668 [0,0,0,1,0,0|2,0,0]=3 9477 B11R1.41 O=CCN1CCCCC1CO 34a_100000210821_200009817547 [0,0,0,1,0,0|2,0,0]=3 9478 B11R1.41 O=CCN1CCOC[C@H]1CO 2230a_100000717676_200015260668 [0,0,0,1,0,0|3,0,0]=4 9479 B11R1.41 O=CCN1CCOC[C@H]1CO 269982a_100000717676_200015260668 [0,0,0,1,0,0|3,0,0]=4 9480 B11R1.41 O=CCN1CCOC[C@H]1CO 34a_100000717676_200009817547 [0,0,0,1,0,0|3,0,0]=4 9481 B11R1.46 C#CCCCOCC1CC1C 34a_100000744939_100000695029 [0,0,0,1,0,0|2,0,1]=4 9482 B11R1.46 C#CCCCOCC1CC1C 7a_100000744939_100011215417 [0,0,0,1,0,0|2,0,1]=4 9483 B11R1.46 C=CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215482 [0,0,0,1,0,0|3,0,0]=4 9484 B11R1.46 C=CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215482 [0,0,0,1,0,0|3,0,0]=4 9485 B11R1.46 C=CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011215482 [0,0,0,1,0,0|3,0,0]=4 9486 B11R1.46 C=CCCCOCC1CC1C 34a_100000744939_100000757094 [0,0,0,1,0,0|2,0,0]=3 9487 B11R1.46 C=CCCCOCC1CC1C 7a_100000744939_100000757094 [0,0,0,1,0,0|2,0,0]=3 9488 B11R1.46 C=COCCOCC1CC1C 34a_100000744939_100000039644 [0,0,0,1,0,0|3,0,0]=4 9489 B11R1.46 C=COCCOCC1CC1C 7a_100000744939_100000039644 [0,0,0,1,0,0|3,0,0]=4 9490 B11R1.46 CC1CC1COCCCC#N 7a_100000744939_100000687738 [0,0,0,1,0,0|2,0,1]=4 9491 B11R1.46 CC1CC1COCCCC=O 7a_100000744939_200011292268 [0,0,0,1,0,0|1,0,0]=2 9492 B11R1.46 CC1CC1COCCCCF 34a_100000744939_100000729493 [0,0,0,1,0,0|2,0,1]=4 9493 B11R1.46 CC1CC1COCCCCF 7a_100000744939_100000729493 [0,0,0,1,0,0|2,0,1]=4 9494 B11R1.46 CC1CC1COCCCCO 34a_100000744939_100011216708 [0,0,0,1,0,0|1,0,2]=4 9495 B11R1.46 CC1CC1COCCCCO 7a_100000744939_100000210776 [0,0,0,1,0,0|1,0,2]=4 9496 B11R1.46 CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210314 [0,0,0,1,0,0|2,0,1]=4 9497 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210314 [0,0,0,1,0,0|2,0,1]=4 9498 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210314 [0,0,0,1,0,0|2,0,1]=4 9499 B11R1.46 CCCCCOCC1CC1C 34a_100000744939_100000718602 [0,0,0,1,0,0|2,0,1]=4 9500 B11R1.46 CCCCCOCC1CC1C 7a_100000744939_100000210326 [0,0,0,1,0,0|2,0,1]=4 9501 B11R1.46 COCCCOCC1CC1C 34a_100000744939_100000740836 [0,0,0,1,0,0|3,0,0]=4 9502 B11R1.46 COCCCOCC1CC1C 7a_100000744939_100000740836 [0,0,0,1,0,0|3,0,0]=4 9503 B11R1.46 O=CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000139335 [0,0,0,1,0,0|2,0,0]=3 9504 B11R1.46 O=CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000139335 [0,0,0,1,0,0|2,0,0]=3 9505 B11R1.47 BrCCCCCOC1CCC1 34a_100000746331_100000749161 [0,0,0,1,0,0|2,0,1]=4 9506 B11R1.47 BrCCCCOCC1CCC1 34a_100011216708_100000763275 [0,0,0,1,0,0|2,0,1]=4 9507 B11R1.47 C#CCCCCCN1CCC1 269982a_100000754969_100012094781 [0,0,0,1,0,0|2,0,1]=4 9508 B11R1.47 C#CCCCCNC1CCC1 2230a_100000749019_100010269958 [0,0,0,1,0,0|2,0,1]=4 9509 B11R1.47 C#CCCCCNC1CCC1 34a_100000706060_100000749161 [0,0,0,1,0,0|2,0,1]=4 9510 B11R1.47 C#CCCCCNC1CCC1 34a_100000749019_100010269958 [0,0,0,1,0,0|2,0,1]=4 9511 B11R1.47 C#CCCCCOC1CCC1 34a_100000748187_100010269958 [0,0,0,1,0,0|2,0,1]=4 9512 B11R1.47 C#CCCCCOC1CCC1 34a_100000766709_100000749161 [0,0,0,1,0,0|2,0,1]=4 9513 B11R1.47 C#CCCCCSC1CCC1 62a_100010269958_100000749161 [0,0,0,1,0,0|2,0,1]=4 9514 B11R1.47 C#CCCCNCC1CCC1 2230a_100000738700_100000731252 [0,0,0,1,0,0|2,0,1]=4 9515 B11R1.47 C#CCCCNCC1CCC1 34a_100000718082_100000763275 [0,0,0,1,0,0|2,0,1]=4 9516 B11R1.47 C#CCCCNCC1CCC1 34a_100000738700_100000695029 [0,0,0,1,0,0|2,0,1]=4 9517 B11R1.47 C#CCCCOCC1CCC1 34a_100000215630_100000763275 [0,0,0,1,0,0|2,0,1]=4 9518 B11R1.47 C#CCCCOCC1CCC1 34a_100000760304_100000695029 [0,0,0,1,0,0|2,0,1]=4 9519 B11R1.47 C#CCCCOCC1CCC1 7a_100000215630_100000763275 [0,0,0,1,0,0|2,0,1]=4 9520 B11R1.47 C#CCCCSCC1CCC1 62a_100000763275_100011215417 [0,0,0,1,0,0|2,0,1]=4 9521 B11R1.47 C#CCCCSCC1CCC1 62a_100011215417_100000763275 [0,0,0,1,0,0|2,0,1]=4 9522 B11R1.47 C/C=C/CCOCC1CCC1 34a_100016278192_100000763275 [0,0,0,1,0,0|2,0,1]=4 9523 B11R1.47 C=CCCCCCN1CCC1 269982a_100000754969_100000700193 [0,0,0,1,0,0|2,0,0]=3 9524 B11R1.47 C=CCCCCNC1CCC1 2230a_100000749019_100011215482 [0,0,0,1,0,0|2,0,0]=3 9525 B11R1.47 C=CCCCCNC1CCC1 270004a_100000703577_100000241760 [0,0,0,1,0,0|2,0,0]=3 9526 B11R1.47 C=CCCCCNC1CCC1 34a_100000703577_100000749161 [0,0,0,1,0,0|2,0,0]=3 9527 B11R1.47 C=CCCCCNC1CCC1 34a_100000749019_100011215482 [0,0,0,1,0,0|2,0,0]=3 9528 B11R1.47 C=CCCCCNC1COC1 2230a_100016991112_100011215482 [0,0,0,1,0,0|3,0,0]=4 9529 B11R1.47 C=CCCCCNC1COC1 34a_100000703577_100009818527 [0,0,0,1,0,0|3,0,0]=4 9530 B11R1.47 C=CCCCCOC1CCC1 34a_100000748187_100011215482 [0,0,0,1,0,0|2,0,0]=3 9531 B11R1.47 C=CCCCCOC1CCC1 34a_100000766645_100000749161 [0,0,0,1,0,0|2,0,0]=3 9532 B11R1.47 C=CCCCCOC1COC1 34a_100000766645_100009818527 [0,0,0,1,0,0|3,0,0]=4 9533 B11R1.47 C=CCCCCOC1COC1 7a_100000766645_100009818527 [0,0,0,1,0,0|3,0,0]=4 9534 B11R1.47 C=CCCCCOC1CSC1 7a_100000072292_100011215482 [0,0,0,1,0,0|3,0,0]=4 9535 B11R1.47 C=CCCCCSC1CCC1 62a_100011215482_100000749161 [0,0,0,1,0,0|2,0,0]=3 9536 B11R1.47 C=CCCCCSC1COC1 62a_100011215482_100009818527 [0,0,0,1,0,0|3,0,0]=4 9537 B11R1.47 C=CCCCNCC1CCC1 2230a_100000700776_100000763275 [0,0,0,1,0,0|2,0,0]=3 9538 B11R1.47 C=CCCCNCC1CCC1 2230a_100000738700_100011713584 [0,0,0,1,0,0|2,0,0]=3 9539 B11R1.47 C=CCCCNCC1CCC1 269862a_100000700776_100000753134 [0,0,0,1,0,0|2,0,0]=3 9540 B11R1.47 C=CCCCNCC1CCC1 34a_100000700776_100000763275 [0,0,0,1,0,0|2,0,0]=3 9541 B11R1.47 C=CCCCNCC1CCC1 34a_100000738700_100000757094 [0,0,0,1,0,0|2,0,0]=3 9542 B11R1.47 C=CCCCNCC1CCO1 2230a_100000700776_100000103362 [0,0,0,1,0,0|3,0,0]=4 9543 B11R1.47 C=CCCCNCC1CCO1 34a_100000700776_100000103362 [0,0,0,1,0,0|3,0,0]=4 9544 B11R1.47 C=CCCCNCC1COC1 2230a_100000700776_100010264016 [0,0,0,1,0,0|3,0,0]=4 9545 B11R1.47 C=CCCCNCC1COC1 2230a_100015281925_100011713584 [0,0,0,1,0,0|3,0,0]=4 9546 B11R1.47 C=CCCCNCC1COC1 34a_100000700776_100010264016 [0,0,0,1,0,0|3,0,0]=4 9547 B11R1.47 C=CCCCNCC1COC1 34a_100015281925_100000757094 [0,0,0,1,0,0|3,0,0]=4 9548 B11R1.47 C=CCCCNC[C@@H]1CCO1 2230a_100020831831_100011713584 [0,0,0,1,0,0|3,0,0]=4 9549 B11R1.47 C=CCCCNC[C@@H]1CCO1 34a_100020831831_100000757094 [0,0,0,1,0,0|3,0,0]=4 9550 B11R1.47 C=CCCCOCC1CCC1 34a_100000758997_100000763275 [0,0,0,1,0,0|2,0,0]=3 9551 B11R1.47 C=CCCCOCC1CCC1 34a_100000760304_100000757094 [0,0,0,1,0,0|2,0,0]=3 9552 B11R1.47 C=CCCCOCC1CCC1 7a_100000758997_100000763275 [0,0,0,1,0,0|2,0,0]=3 9553 B11R1.47 C=CCCCOCC1CCO1 34a_100000039022_100000757094 [0,0,0,1,0,0|3,0,0]=4 9554 B11R1.47 C=CCCCOCC1CCO1 34a_100000758997_100000103362 [0,0,0,1,0,0|3,0,0]=4 9555 B11R1.47 C=CCCCOCC1CCO1 7a_100000758997_100000103362 [0,0,0,1,0,0|3,0,0]=4 9556 B11R1.47 C=CCCCOCC1CNC1 34a_100016987283_100000757094 [0,0,0,1,0,0|3,0,0]=4 9557 B11R1.47 C=CCCCOCC1COC1 34a_100000060846_100000757094 [0,0,0,1,0,0|3,0,0]=4 9558 B11R1.47 C=CCCCOCC1COC1 34a_100000758997_100010264016 [0,0,0,1,0,0|3,0,0]=4 9559 B11R1.47 C=CCCCOCC1COC1 7a_100000758997_100010264016 [0,0,0,1,0,0|3,0,0]=4 9560 B11R1.47 C=CCCCSCC1CCC1 62a_100000763275_100000757094 [0,0,0,1,0,0|2,0,0]=3 9561 B11R1.47 C=CCCCSCC1CCC1 62a_100011713584_100000763275 [0,0,0,1,0,0|2,0,0]=3 9562 B11R1.47 C=CCCCSCC1CCO1 62a_100000103362_100000757094 [0,0,0,1,0,0|3,0,0]=4 9563 B11R1.47 C=CCCCSCC1CCO1 62a_100011713584_100000103362 [0,0,0,1,0,0|3,0,0]=4 9564 B11R1.47 C=CCCCSCC1COC1 62a_100010264016_100000757094 [0,0,0,1,0,0|3,0,0]=4 9565 B11R1.47 C=CCCCSCC1COC1 62a_100011713584_100010264016 [0,0,0,1,0,0|3,0,0]=4 9566 B11R1.47 C=CCCOCCC1COC1 34a_100009855314_100000754431 [0,0,0,1,0,0|3,0,0]=4 9567 B11R1.47 C=CCOCCOC1CCC1 34a_100000037705_100000749161 [0,0,0,1,0,0|3,0,0]=4 9568 B11R1.47 C=COCCCNC1CCC1 270004a_100000210767_100000241760 [0,0,0,1,0,0|3,0,0]=4 9569 B11R1.47 C=COCCCNC1CCC1 34a_100000210767_100000749161 [0,0,0,1,0,0|3,0,0]=4 9570 B11R1.47 C=COCCNCC1CCC1 2230a_100000738700_100000039644 [0,0,0,1,0,0|3,0,0]=4 9571 B11R1.47 C=COCCNCC1CCC1 34a_100000738700_100000039644 [0,0,0,1,0,0|3,0,0]=4 9572 B11R1.47 C=COCCOCC1CCC1 34a_100000033082_100000763275 [0,0,0,1,0,0|3,0,0]=4 9573 B11R1.47 C=COCCOCC1CCC1 34a_100000760304_100000039644 [0,0,0,1,0,0|3,0,0]=4 9574 B11R1.47 C=COCCSCC1CCC1 62a_100000039644_100000763275 [0,0,0,1,0,0|3,0,0]=4 9575 B11R1.47 C=COCCSCC1CCC1 62a_100000763275_100000039644 [0,0,0,1,0,0|3,0,0]=4 9576 B11R1.47 CC=CCCCOC1CCC1 34a_100020645299_100000749161 [0,0,0,1,0,0|2,0,1]=4 9577 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [0,0,0,1,0,0|2,0,1]=4 9578 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [0,0,0,1,0,0|2,0,1]=4 9579 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [0,0,0,1,0,0|2,0,1]=4 9580 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [0,0,0,1,0,0|2,0,1]=4 9581 B11R1.47 CCCCCCNC1COC1 2230a_100016991112_100000210314 [0,0,0,1,0,0|3,0,0]=4 9582 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [0,0,0,1,0,0|2,0,1]=4 9583 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [0,0,0,1,0,0|2,0,1]=4 9584 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [0,0,0,1,0,0|3,0,0]=4 9585 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [0,0,0,1,0,0|3,0,0]=4 9586 B11R1.47 CCCCCCOC1CSC1 7a_100000072292_100000210314 [0,0,0,1,0,0|3,0,0]=4 9587 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [0,0,0,1,0,0|2,0,1]=4 9588 B11R1.47 CCCCCCSC1COC1 62a_100000210314_100009818527 [0,0,0,1,0,0|3,0,0]=4 9589 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [0,0,0,1,0,0|2,0,1]=4 9590 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [0,0,0,1,0,0|2,0,1]=4 9591 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [0,0,0,1,0,0|2,0,1]=4 9592 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [0,0,0,1,0,0|2,0,1]=4 9593 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [0,0,0,1,0,0|1,0,2]=4 9594 B11R1.47 CCCCCNCC1COC1 2230a_100000209983_100010264016 [0,0,0,1,0,0|3,0,0]=4 9595 B11R1.47 CCCCCNCC1COC1 2230a_100015281925_100000210326 [0,0,0,1,0,0|3,0,0]=4 9596 B11R1.47 CCCCCNCC1COC1 34a_100015281925_100000718602 [0,0,0,1,0,0|3,0,0]=4 9597 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [0,0,0,1,0,0|1,0,2]=4 9598 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [0,0,0,1,0,0|1,0,2]=4 9599 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [0,0,0,1,0,0|2,0,1]=4 9600 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [0,0,0,1,0,0|2,0,1]=4 9601 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [0,0,0,1,0,0|2,0,1]=4 9602 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [0,0,0,1,0,0|1,0,2]=4 9603 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [0,0,0,1,0,0|1,0,2]=4 9604 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [0,0,0,1,0,0|1,0,2]=4 9605 B11R1.47 CCCCCOCC1CNC1 34a_100016987283_100000718602 [0,0,0,1,0,0|3,0,0]=4 9606 B11R1.47 CCCCCOCC1COC1 34a_100000060846_100000718602 [0,0,0,1,0,0|3,0,0]=4 9607 B11R1.47 CCCCCOCC1COC1 34a_100000210253_100010264016 [0,0,0,1,0,0|3,0,0]=4 9608 B11R1.47 CCCCCOCC1COC1 7a_100000210253_100010264016 [0,0,0,1,0,0|3,0,0]=4 9609 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [0,0,0,1,0,0|2,0,1]=4 9610 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [0,0,0,1,0,0|2,0,1]=4 9611 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [0,0,0,1,0,0|1,0,2]=4 9612 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [0,0,0,1,0,0|1,0,2]=4 9613 B11R1.47 CCCCCSCC1COC1 62a_100000210326_100010264016 [0,0,0,1,0,0|3,0,0]=4 9614 B11R1.47 CCCCCSCC1COC1 62a_100010264016_100000210326 [0,0,0,1,0,0|3,0,0]=4 9615 B11R1.47 CCCCOCCC1COC1 34a_100009855314_100000210210 [0,0,0,1,0,0|3,0,0]=4 9616 B11R1.47 CNCCCOCC1CCC1 34a_100000213112_100000763275 [0,0,0,1,0,0|3,0,0]=4 9617 B11R1.47 COCCCCNC1CCC1 2230a_100000749019_100000730899 [0,0,0,1,0,0|3,0,0]=4 9618 B11R1.47 COCCCCNC1CCC1 34a_100000749019_100000755781 [0,0,0,1,0,0|3,0,0]=4 9619 B11R1.47 COCCCCOC1CCC1 34a_100000740925_100000749161 [0,0,0,1,0,0|3,0,0]=4 9620 B11R1.47 COCCCCOC1CCC1 34a_100000748187_100000755781 [0,0,0,1,0,0|3,0,0]=4 9621 B11R1.47 COCCCCSC1CCC1 62a_100000730899_100000749161 [0,0,0,1,0,0|3,0,0]=4 9622 B11R1.47 COCCCNCC1CCC1 2230a_100000738700_100000740836 [0,0,0,1,0,0|3,0,0]=4 9623 B11R1.47 COCCCNCC1CCC1 269862a_100150723488_100000753134 [0,0,0,1,0,0|3,0,0]=4 9624 B11R1.47 COCCCNCC1CCC1 34a_100000738700_100000740836 [0,0,0,1,0,0|3,0,0]=4 9625 B11R1.47 COCCCNCC1CCC1 34a_100150723488_100000763275 [0,0,0,1,0,0|3,0,0]=4 9626 B11R1.47 COCCCOCC1CCC1 34a_100000740835_100000763275 [0,0,0,1,0,0|3,0,0]=4 9627 B11R1.47 COCCCOCC1CCC1 34a_100000760304_100000740836 [0,0,0,1,0,0|3,0,0]=4 9628 B11R1.47 COCCCSCC1CCC1 62a_100000709357_100000763275 [0,0,0,1,0,0|3,0,0]=4 9629 B11R1.47 COCCCSCC1CCC1 62a_100000763275_100000709357 [0,0,0,1,0,0|3,0,0]=4 9630 B11R1.47 CSCCCCOC1CCC1 34a_100011217163_100000749161 [0,0,0,1,0,0|3,0,0]=4 9631 B11R1.47 CSCCCNCC1CCC1 2230a_100000749238_100000763275 [0,0,0,1,0,0|3,0,0]=4 9632 B11R1.47 CSCCCNCC1CCC1 269862a_100000749238_100000753134 [0,0,0,1,0,0|3,0,0]=4 9633 B11R1.47 CSCCCOCC1CCC1 34a_100000690336_100000763275 [0,0,0,1,0,0|3,0,0]=4 9634 B11R1.47 CSCCCOCC1CCC1 7a_100000690336_100000763275 [0,0,0,1,0,0|3,0,0]=4 9635 B11R1.47 ClCCCCCOC1CCC1 34a_100000746330_100000749161 [0,0,0,1,0,0|2,0,1]=4 9636 B11R1.47 ClCCCCOCC1CCC1 34a_100000210776_100000763275 [0,0,0,1,0,0|2,0,1]=4 9637 B11R1.47 ClCCCCOCC1CCC1 7a_100000210776_100000763275 [0,0,0,1,0,0|2,0,1]=4 9638 B11R1.47 FCCCCCCN1CCC1 269982a_100000754969_100015922095 [0,0,0,1,0,0|2,0,1]=4 9639 B11R1.47 FCCCCCNC1CCC1 2230a_100000749019_100000729378 [0,0,0,1,0,0|2,0,1]=4 9640 B11R1.47 FCCCCCNC1CCC1 34a_100000749019_100000729378 [0,0,0,1,0,0|2,0,1]=4 9641 B11R1.47 FCCCCCOC1CCC1 34a_100000748187_100000729378 [0,0,0,1,0,0|2,0,1]=4 9642 B11R1.47 FCCCCCSC1CCC1 62a_100000729378_100000749161 [0,0,0,1,0,0|2,0,1]=4 9643 B11R1.47 FCCCCNCC1CCC1 2230a_100000738700_100000729493 [0,0,0,1,0,0|2,0,1]=4 9644 B11R1.47 FCCCCNCC1CCC1 34a_100000738700_100000729493 [0,0,0,1,0,0|2,0,1]=4 9645 B11R1.47 FCCCCOCC1CCC1 34a_100000760304_100000729493 [0,0,0,1,0,0|2,0,1]=4 9646 B11R1.47 FCCCCOCC1CCC1 34a_100011995726_100000763275 [0,0,0,1,0,0|2,0,1]=4 9647 B11R1.47 FCCCCOCC1CCC1 7a_100011995726_100000763275 [0,0,0,1,0,0|2,0,1]=4 9648 B11R1.47 FCCCCSCC1CCC1 62a_100000729493_100000763275 [0,0,0,1,0,0|2,0,1]=4 9649 B11R1.47 FCCCCSCC1CCC1 62a_100000763275_100000729493 [0,0,0,1,0,0|2,0,1]=4 9650 B11R1.47 ICCCCCOC1CCC1 34a_200012148887_100000749161 [0,0,0,1,0,0|2,0,1]=4 9651 B11R1.47 ICCCCOCC1CCC1 34a_200012148704_100000763275 [0,0,0,1,0,0|2,0,1]=4 9652 B11R1.47 N#CCCCCCN1CCC1 269982a_100000754969_100009813376 [0,0,0,1,0,0|2,0,1]=4 9653 B11R1.47 N#CCCCCNC1CCC1 2230a_100000749019_100000211819 [0,0,0,1,0,0|2,0,1]=4 9654 B11R1.47 N#CCCCCNC1CCC1 270004a_100000751965_100000241760 [0,0,0,1,0,0|2,0,1]=4 9655 B11R1.47 N#CCCCCSC1CCC1 62a_100011219923_100000749161 [0,0,0,1,0,0|2,0,1]=4 9656 B11R1.47 N#CCCCNCC1CCC1 2230a_100000738700_100000687738 [0,0,0,1,0,0|2,0,1]=4 9657 B11R1.47 N#CCCCSCC1CCC1 62a_100000687738_100000763275 [0,0,0,1,0,0|2,0,1]=4 9658 B11R1.47 N#CCCCSCC1CCC1 62a_100000763275_100000687738 [0,0,0,1,0,0|2,0,1]=4 9659 B11R1.47 NCCCCCOC1CCC1 34a_100000762737_100000749161 [0,0,0,1,0,0|2,0,1]=4 9660 B11R1.47 NCCCCOCC1CCC1 34a_100000750430_100000763275 [0,0,0,1,0,0|2,0,1]=4 9661 B11R1.47 O=CCCCCCN1CCC1 269982a_100000754969_100000139337 [0,0,0,1,0,0|1,0,0]=2 9662 B11R1.47 O=CCCCCNC1CCC1 2230a_100000749019_100000139335 [0,0,0,1,0,0|1,0,0]=2 9663 B11R1.47 O=CCCCCNC1COC1 2230a_100016991112_100000139335 [0,0,0,1,0,0|2,0,0]=3 9664 B11R1.47 O=CCCCCOC1CSC1 7a_100000072292_100000139335 [0,0,0,1,0,0|2,0,0]=3 9665 B11R1.47 O=CCCCCSC1CCC1 62a_100000139335_100000749161 [0,0,0,1,0,0|1,0,0]=2 9666 B11R1.47 O=CCCCCSC1COC1 62a_100000139335_100009818527 [0,0,0,1,0,0|2,0,0]=3 9667 B11R1.47 O=CCCCNCC1CCC1 2230a_100000738700_200011292268 [0,0,0,1,0,0|1,0,0]=2 9668 B11R1.47 O=CCCCNCC1COC1 2230a_100015281925_200011292268 [0,0,0,1,0,0|2,0,0]=3 9669 B11R1.47 O=CCCCNC[C@@H]1CCO1 2230a_100020831831_200011292268 [0,0,0,1,0,0|2,0,0]=3 9670 B11R1.47 O=CCCCSCC1CCC1 62a_100000763275_200011292268 [0,0,0,1,0,0|1,0,0]=2 9671 B11R1.47 O=CCCCSCC1CCC1 62a_200011292268_100000763275 [0,0,0,1,0,0|1,0,0]=2 9672 B11R1.47 O=CCCCSCC1CCO1 62a_100000103362_200011292268 [0,0,0,1,0,0|2,0,0]=3 9673 B11R1.47 O=CCCCSCC1CCO1 62a_200011292268_100000103362 [0,0,0,1,0,0|2,0,0]=3 9674 B11R1.47 O=CCCCSCC1COC1 62a_100010264016_200011292268 [0,0,0,1,0,0|2,0,0]=3 9675 B11R1.47 O=CCCCSCC1COC1 62a_200011292268_100010264016 [0,0,0,1,0,0|2,0,0]=3 9676 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [0,0,0,1,0,0|1,0,2]=4 9677 B11R1.47 OCCCCCNC1CCC1 2230a_100000749019_100000746330 [0,0,0,1,0,0|1,0,2]=4 9678 B11R1.47 OCCCCCNC1CCC1 270004a_100000762737_100000241760 [0,0,0,1,0,0|1,0,2]=4 9679 B11R1.47 OCCCCCNC1CCC1 34a_100000749019_100000746330 [0,0,0,1,0,0|1,0,2]=4 9680 B11R1.47 OCCCCCNC1CCC1 34a_100000762737_100000749161 [0,0,0,1,0,0|1,0,2]=4 9681 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [0,0,0,1,0,0|1,0,2]=4 9682 B11R1.47 OCCCCCSC1CCC1 62a_100000746330_100000749161 [0,0,0,1,0,0|1,0,2]=4 9683 B11R1.47 OCCCCNCC1CCC1 2230a_100000738700_100000210776 [0,0,0,1,0,0|1,0,2]=4 9684 B11R1.47 OCCCCNCC1CCC1 2230a_100000750430_100000763275 [0,0,0,1,0,0|1,0,2]=4 9685 B11R1.47 OCCCCNCC1CCC1 269862a_100000750430_100000753134 [0,0,0,1,0,0|1,0,2]=4 9686 B11R1.47 OCCCCNCC1CCC1 34a_100000738700_100011216708 [0,0,0,1,0,0|1,0,2]=4 9687 B11R1.47 OCCCCNCC1CCC1 34a_100000750430_100000763275 [0,0,0,1,0,0|1,0,2]=4 9688 B11R1.47 OCCCCOCC1CCC1 34a_100000760304_100011216708 [0,0,0,1,0,0|1,0,2]=4 9689 B11R1.47 OCCCCSCC1CCC1 62a_100000210776_100000763275 [0,0,0,1,0,0|1,0,2]=4 9690 B11R1.47 OCCCCSCC1CCC1 62a_100000763275_100000210776 [0,0,0,1,0,0|1,0,2]=4 9691 B11R1.99 BrCCCCCCOC1CC1 34a_100011215345_100000211595 [0,0,0,1,0,0|2,0,1]=4 9692 B11R1.99 BrCCCCCOCC1CC1 34a_100000746331_100000742324 [0,0,0,1,0,0|2,0,1]=4 9693 B11R1.99 BrCCCCCOCC1CC1 7a_100000746331_100000742324 [0,0,0,1,0,0|2,0,1]=4 9694 B11R1.99 BrCCCCOCCC1CC1 34a_100011216708_100000694398 [0,0,0,1,0,0|2,0,1]=4 9695 B11R1.99 C#CCCCCCNC1CC1 34a_100000212008_100012094781 [0,0,0,1,0,0|2,0,1]=4 9696 B11R1.99 C#CCCCCCOC1CC1 34a_100000766912_100000211595 [0,0,0,1,0,0|2,0,1]=4 9697 B11R1.99 C#CCCCCCSC1CC1 62a_100012094781_100000211595 [0,0,0,1,0,0|2,0,1]=4 9698 B11R1.99 C#CCCCCNCC1CC1 2230a_100000706060_100000742324 [0,0,0,1,0,0|2,0,1]=4 9699 B11R1.99 C#CCCCCNCC1CC1 2230a_100000735609_100010269958 [0,0,0,1,0,0|2,0,1]=4 9700 B11R1.99 C#CCCCCNCC1CC1 34a_100000706060_100000742324 [0,0,0,1,0,0|2,0,1]=4 9701 B11R1.99 C#CCCCCNCC1CC1 34a_100000735609_100010269958 [0,0,0,1,0,0|2,0,1]=4 9702 B11R1.99 C#CCCCCOCC1CC1 34a_100000211283_100010269958 [0,0,0,1,0,0|2,0,1]=4 9703 B11R1.99 C#CCCCCOCC1CC1 34a_100000766709_100000742324 [0,0,0,1,0,0|2,0,1]=4 9704 B11R1.99 C#CCCCCOCC1CC1 7a_100000766709_100000742324 [0,0,0,1,0,0|2,0,1]=4 9705 B11R1.99 C#CCCCCSCC1CC1 62a_100000756562_100010269958 [0,0,0,1,0,0|2,0,1]=4 9706 B11R1.99 C#CCCCCSCC1CC1 62a_100010269958_100000742324 [0,0,0,1,0,0|2,0,1]=4 9707 B11R1.99 C#CCCCNCCC1CC1 34a_100000718082_100000694398 [0,0,0,1,0,0|2,0,1]=4 9708 B11R1.99 C#CCCCNCCC1CC1 34a_100000764129_100000695029 [0,0,0,1,0,0|2,0,1]=4 9709 B11R1.99 C#CCCCOCCC1CC1 34a_100000215630_100000694398 [0,0,0,1,0,0|2,0,1]=4 9710 B11R1.99 C#CCCCOCCC1CC1 34a_100000754188_100000695029 [0,0,0,1,0,0|2,0,1]=4 9711 B11R1.99 C#CCCCOCCC1CC1 7a_100000215630_100000764125 [0,0,0,1,0,0|2,0,1]=4 9712 B11R1.99 C#CCCCOCCC1CC1 7a_100000754188_100011215417 [0,0,0,1,0,0|2,0,1]=4 9713 B11R1.99 C#CCCCSCCC1CC1 62a_100000764125_100011215417 [0,0,0,1,0,0|2,0,1]=4 9714 B11R1.99 C#CCCCSCCC1CC1 62a_100011215417_100000764125 [0,0,0,1,0,0|2,0,1]=4 9715 B11R1.99 C/C=C/CCOCCC1CC1 34a_100016278192_100000694398 [0,0,0,1,0,0|2,0,1]=4 9716 B11R1.99 C=CCCCCCNC1CC1 34a_100000212008_100000700193 [0,0,0,1,0,0|2,0,0]=3 9717 B11R1.99 C=CCCCCCOC1CC1 34a_100011216702_100000211595 [0,0,0,1,0,0|2,0,0]=3 9718 B11R1.99 C=CCCCCCSC1CC1 62a_100000700193_100000211595 [0,0,0,1,0,0|2,0,0]=3 9719 B11R1.99 C=CCCCCNCC1CC1 2230a_100000703577_100000742324 [0,0,0,1,0,0|2,0,0]=3 9720 B11R1.99 C=CCCCCNCC1CC1 2230a_100000735609_100011215482 [0,0,0,1,0,0|2,0,0]=3 9721 B11R1.99 C=CCCCCNCC1CC1 269862a_100000703577_100000741477 [0,0,0,1,0,0|2,0,0]=3 9722 B11R1.99 C=CCCCCNCC1CC1 34a_100000703577_100000742324 [0,0,0,1,0,0|2,0,0]=3 9723 B11R1.99 C=CCCCCNCC1CC1 34a_100000735609_100011215482 [0,0,0,1,0,0|2,0,0]=3 9724 B11R1.99 C=CCCCCNCC1CO1 2230a_100000703577_100011216344 [0,0,0,1,0,0|3,0,0]=4 9725 B11R1.99 C=CCCCCNCC1CO1 34a_100000703577_102125554688 [0,0,0,1,0,0|3,0,0]=4 9726 B11R1.99 C=CCCCCOCC1CC1 34a_100000211283_100011215482 [0,0,0,1,0,0|2,0,0]=3 9727 B11R1.99 C=CCCCCOCC1CC1 34a_100000766645_100000742324 [0,0,0,1,0,0|2,0,0]=3 9728 B11R1.99 C=CCCCCOCC1CC1 7a_100000766645_100000742324 [0,0,0,1,0,0|2,0,0]=3 9729 B11R1.99 C=CCCCCOCC1CO1 34a_100000766645_102125554688 [0,0,0,1,0,0|3,0,0]=4 9730 B11R1.99 C=CCCCCOCC1CO1 7a_100000766645_102125554688 [0,0,0,1,0,0|3,0,0]=4 9731 B11R1.99 C=CCCCCOCC1CS1 7a_100000766645_100000031435 [0,0,0,1,0,0|3,0,0]=4 9732 B11R1.99 C=CCCCCOC[C@@H]1CO1 34a_100000757423_100011215482 [0,0,0,1,0,0|3,0,0]=4 9733 B11R1.99 C=CCCCCOC[C@@H]1CO1 7a_100000766645_100000745022 [0,0,0,1,0,0|3,0,0]=4 9734 B11R1.99 C=CCCCCSCC1CC1 62a_100000756562_100011215482 [0,0,0,1,0,0|2,0,0]=3 9735 B11R1.99 C=CCCCCSCC1CC1 62a_100011215482_100000742324 [0,0,0,1,0,0|2,0,0]=3 9736 B11R1.99 C=CCCCCSCC1CO1 62a_100011215482_102125554688 [0,0,0,1,0,0|3,0,0]=4 9737 B11R1.99 C=CCCCCSCC1CO1 62a_102125554688_100011215482 [0,0,0,1,0,0|3,0,0]=4 9738 B11R1.99 C=CCCCCSCC1CS1 62a_100000031435_100011215482 [0,0,0,1,0,0|3,0,0]=4 9739 B11R1.99 C=CCCCCSCC1CS1 62a_100011215482_100000031435 [0,0,0,1,0,0|3,0,0]=4 9740 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100000745022_100011215482 [0,0,0,1,0,0|3,0,0]=4 9741 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100011215482_100000745022 [0,0,0,1,0,0|3,0,0]=4 9742 B11R1.99 C=CCCCNCCC1CC1 2230a_100000700776_100000694398 [0,0,0,1,0,0|2,0,0]=3 9743 B11R1.99 C=CCCCNCCC1CC1 34a_100000700776_100000694398 [0,0,0,1,0,0|2,0,0]=3 9744 B11R1.99 C=CCCCNCCC1CC1 34a_100000764129_100000757094 [0,0,0,1,0,0|2,0,0]=3 9745 B11R1.99 C=CCCCNCCC1CO1 2230a_100000700776_100000732470 [0,0,0,1,0,0|3,0,0]=4 9746 B11R1.99 C=CCCCNCCC1CO1 34a_100000700776_100000732470 [0,0,0,1,0,0|3,0,0]=4 9747 B11R1.99 C=CCCCOCCC1CC1 34a_100000754188_100000757094 [0,0,0,1,0,0|2,0,0]=3 9748 B11R1.99 C=CCCCOCCC1CC1 34a_100000758997_100000694398 [0,0,0,1,0,0|2,0,0]=3 9749 B11R1.99 C=CCCCOCCC1CC1 7a_100000754188_100000757094 [0,0,0,1,0,0|2,0,0]=3 9750 B11R1.99 C=CCCCOCCC1CC1 7a_100000758997_100000764125 [0,0,0,1,0,0|2,0,0]=3 9751 B11R1.99 C=CCCCOCCC1CO1 34a_100000758997_100000732470 [0,0,0,1,0,0|3,0,0]=4 9752 B11R1.99 C=CCCCOCCC1CO1 7a_100000758997_100000732470 [0,0,0,1,0,0|3,0,0]=4 9753 B11R1.99 C=CCCCOCC[C@@H]1CO1 34a_100009820653_100000757094 [0,0,0,1,0,0|3,0,0]=4 9754 B11R1.99 C=CCCCSCCC1CC1 62a_100000764125_100000757094 [0,0,0,1,0,0|2,0,0]=3 9755 B11R1.99 C=CCCCSCCC1CC1 62a_100011713584_100000764125 [0,0,0,1,0,0|2,0,0]=3 9756 B11R1.99 C=CCCCSCCC1CO1 62a_100000732470_100000757094 [0,0,0,1,0,0|3,0,0]=4 9757 B11R1.99 C=CCCCSCCC1CO1 62a_100011713584_100000732470 [0,0,0,1,0,0|3,0,0]=4 9758 B11R1.99 C=CCCNCCCC1CO1 2230a_100015191253_100000733510 [0,0,0,1,0,0|3,0,0]=4 9759 B11R1.99 C=CCCOCCCC1CO1 34a_100011205117_100000733510 [0,0,0,1,0,0|3,0,0]=4 9760 B11R1.99 C=CCCOCCNC1CC1 34a_100000738766_100000754431 [0,0,0,1,0,0|3,0,0]=4 9761 B11R1.99 C=CCCSCCCC1CO1 62a_100000733510_100000754431 [0,0,0,1,0,0|3,0,0]=4 9762 B11R1.99 C=CCCSCCCC1CO1 62a_100000754431_100000733510 [0,0,0,1,0,0|3,0,0]=4 9763 B11R1.99 C=CCOCCOCC1CC1 34a_100000037705_100000742324 [0,0,0,1,0,0|3,0,0]=4 9764 B11R1.99 C=CCOCCOCC1CC1 7a_100000037705_100000742324 [0,0,0,1,0,0|3,0,0]=4 9765 B11R1.99 C=COCCCCOC1CC1 34a_100000031558_100000211595 [0,0,0,1,0,0|3,0,0]=4 9766 B11R1.99 C=COCCCNCC1CC1 2230a_100000210767_100000742324 [0,0,0,1,0,0|3,0,0]=4 9767 B11R1.99 C=COCCCNCC1CC1 269862a_100000210767_100000741477 [0,0,0,1,0,0|3,0,0]=4 9768 B11R1.99 C=COCCCNCC1CC1 34a_100000210767_100000742324 [0,0,0,1,0,0|3,0,0]=4 9769 B11R1.99 C=COCCNCCC1CC1 34a_100000764129_100000039644 [0,0,0,1,0,0|3,0,0]=4 9770 B11R1.99 C=COCCOCCC1CC1 34a_100000033082_100000694398 [0,0,0,1,0,0|3,0,0]=4 9771 B11R1.99 C=COCCOCCC1CC1 34a_100000754188_100000039644 [0,0,0,1,0,0|3,0,0]=4 9772 B11R1.99 C=COCCOCCC1CC1 7a_100000754188_100000039644 [0,0,0,1,0,0|3,0,0]=4 9773 B11R1.99 C=COCCSCCC1CC1 62a_100000039644_100000764125 [0,0,0,1,0,0|3,0,0]=4 9774 B11R1.99 C=COCCSCCC1CC1 62a_100000764125_100000039644 [0,0,0,1,0,0|3,0,0]=4 9775 B11R1.99 CC=CCCCOCC1CC1 34a_100020645299_100000742324 [0,0,0,1,0,0|2,0,1]=4 9776 B11R1.99 CCCCCCCNC1CC1 34a_100000212008_100000210614 [0,0,0,1,0,0|2,0,1]=4 9777 B11R1.99 CCCCCCCOC1CC1 34a_100000210272_100000211595 [0,0,0,1,0,0|2,0,1]=4 9778 B11R1.99 CCCCCCCSC1CC1 62a_100000210614_100000211595 [0,0,0,1,0,0|2,0,1]=4 9779 B11R1.99 CCCCCCNCC1CC1 2230a_100000210581_100000742324 [0,0,0,1,0,0|2,0,1]=4 9780 B11R1.99 CCCCCCNCC1CC1 2230a_100000735609_100000210314 [0,0,0,1,0,0|2,0,1]=4 9781 B11R1.99 CCCCCCNCC1CC1 269862a_100000210581_100000741477 [0,0,0,1,0,0|2,0,1]=4 9782 B11R1.99 CCCCCCNCC1CC1 34a_100000735609_100000210314 [0,0,0,1,0,0|2,0,1]=4 9783 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [0,0,0,1,0,0|1,0,2]=4 9784 B11R1.99 CCCCCCOCC1CC1 34a_100000210259_100000742324 [0,0,0,1,0,0|2,0,1]=4 9785 B11R1.99 CCCCCCOCC1CC1 34a_100000211283_100000210314 [0,0,0,1,0,0|2,0,1]=4 9786 B11R1.99 CCCCCCOCC1CC1 7a_100000210259_100000742324 [0,0,0,1,0,0|2,0,1]=4 9787 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [0,0,0,1,0,0|1,0,2]=4 9788 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [0,0,0,1,0,0|1,0,2]=4 9789 B11R1.99 CCCCCCOCC1CS1 7a_100000210259_100000031435 [0,0,0,1,0,0|1,1,1]=4 9790 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [0,0,0,1,0,0|1,0,2]=4 9791 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [0,0,0,1,0,0|1,0,2]=4 9792 B11R1.99 CCCCCCSCC1CC1 62a_100000210314_100000742324 [0,0,0,1,0,0|2,0,1]=4 9793 B11R1.99 CCCCCCSCC1CC1 62a_100000756562_100000210757 [0,0,0,1,0,0|2,0,1]=4 9794 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [0,0,0,1,0,0|1,0,2]=4 9795 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [0,0,0,1,0,0|1,0,2]=4 9796 B11R1.99 CCCCCCSCC1CS1 62a_100000031435_100000210757 [0,0,0,1,0,0|1,1,1]=4 9797 B11R1.99 CCCCCCSCC1CS1 62a_100000210314_100000031435 [0,0,0,1,0,0|1,1,1]=4 9798 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [0,0,0,1,0,0|1,0,2]=4 9799 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [0,0,0,1,0,0|1,0,2]=4 9800 B11R1.99 CCCCCNCCC1CC1 2230a_100000209983_100000694398 [0,0,0,1,0,0|2,0,1]=4 9801 B11R1.99 CCCCCNCCC1CC1 34a_100000764129_100000718602 [0,0,0,1,0,0|2,0,1]=4 9802 B11R1.99 CCCCCNCCC1CO1 2230a_100000209983_100000732470 [0,0,0,1,0,0|1,0,2]=4 9803 B11R1.99 CCCCCOCCC1CC1 34a_100000210253_100000694398 [0,0,0,1,0,0|2,0,1]=4 9804 B11R1.99 CCCCCOCCC1CC1 34a_100000754188_100000718602 [0,0,0,1,0,0|2,0,1]=4 9805 B11R1.99 CCCCCOCCC1CC1 7a_100000210253_100000764125 [0,0,0,1,0,0|2,0,1]=4 9806 B11R1.99 CCCCCOCCC1CC1 7a_100000754188_100000210326 [0,0,0,1,0,0|2,0,1]=4 9807 B11R1.99 CCCCCOCCC1CO1 34a_100000210253_100000732470 [0,0,0,1,0,0|1,0,2]=4 9808 B11R1.99 CCCCCOCCC1CO1 7a_100000210253_100000732470 [0,0,0,1,0,0|1,0,2]=4 9809 B11R1.99 CCCCCOCC[C@@H]1CO1 34a_100009820653_100000718602 [0,0,0,1,0,0|1,0,2]=4 9810 B11R1.99 CCCCCSCCC1CC1 62a_100000210326_100000764125 [0,0,0,1,0,0|2,0,1]=4 9811 B11R1.99 CCCCCSCCC1CC1 62a_100000764125_100000210326 [0,0,0,1,0,0|2,0,1]=4 9812 B11R1.99 CCCCCSCCC1CO1 62a_100000210326_100000732470 [0,0,0,1,0,0|1,0,2]=4 9813 B11R1.99 CCCCCSCCC1CO1 62a_100000732470_100000210326 [0,0,0,1,0,0|1,0,2]=4 9814 B11R1.99 CCCCNCCCC1CO1 2230a_100000102301_100000733510 [0,0,0,1,0,0|1,0,2]=4 9815 B11R1.99 CCCCNCCCC1CO1 7a_106832991798_100000733510 [0,0,0,1,0,0|1,0,2]=4 9816 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [0,0,0,1,0,0|1,0,2]=4 9817 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [0,0,0,1,0,0|1,0,2]=4 9818 B11R1.99 CCCCSCCCC1CO1 62a_100000210211_100000733510 [0,0,0,1,0,0|1,0,2]=4 9819 B11R1.99 CCCCSCCCC1CO1 62a_100000733510_100000210210 [0,0,0,1,0,0|1,0,2]=4 9820 B11R1.99 CNCCCCCOC1CC1 34a_100000722520_100000211595 [0,0,0,1,0,0|3,0,0]=4 9821 B11R1.99 CNCCCOCCC1CC1 34a_100000213112_100000694398 [0,0,0,1,0,0|3,0,0]=4 9822 B11R1.99 COCCCCCNC1CC1 34a_100000747528_100000211595 [0,0,0,1,0,0|3,0,0]=4 9823 B11R1.99 COCCCCNCC1CC1 2230a_100000735609_100000730899 [0,0,0,1,0,0|3,0,0]=4 9824 B11R1.99 COCCCCNCC1CC1 34a_100000735609_100000755781 [0,0,0,1,0,0|3,0,0]=4 9825 B11R1.99 COCCCCOCC1CC1 34a_100000211283_100000755781 [0,0,0,1,0,0|3,0,0]=4 9826 B11R1.99 COCCCCOCC1CC1 34a_100000740925_100000742324 [0,0,0,1,0,0|3,0,0]=4 9827 B11R1.99 COCCCCSCC1CC1 62a_100000730899_100000742324 [0,0,0,1,0,0|3,0,0]=4 9828 B11R1.99 COCCCCSCC1CC1 62a_100000756562_100000730899 [0,0,0,1,0,0|3,0,0]=4 9829 B11R1.99 COCCCNCCC1CC1 34a_100000764129_100000740836 [0,0,0,1,0,0|3,0,0]=4 9830 B11R1.99 COCCCNCCC1CC1 34a_100150723488_100000694398 [0,0,0,1,0,0|3,0,0]=4 9831 B11R1.99 COCCCOCCC1CC1 34a_100000740835_100000694398 [0,0,0,1,0,0|3,0,0]=4 9832 B11R1.99 COCCCOCCC1CC1 34a_100000754188_100000740836 [0,0,0,1,0,0|3,0,0]=4 9833 B11R1.99 COCCCOCCC1CC1 7a_100000754188_100000740836 [0,0,0,1,0,0|3,0,0]=4 9834 B11R1.99 COCCCSCCC1CC1 62a_100000709357_100000764125 [0,0,0,1,0,0|3,0,0]=4 9835 B11R1.99 COCCCSCCC1CC1 62a_100000764125_100000709357 [0,0,0,1,0,0|3,0,0]=4 9836 B11R1.99 CSCCCCOCC1CC1 34a_100011217163_100000742324 [0,0,0,1,0,0|3,0,0]=4 9837 B11R1.99 CSCCCCOCC1CC1 7a_100011217163_100000742324 [0,0,0,1,0,0|3,0,0]=4 9838 B11R1.99 CSCCCNCCC1CC1 2230a_100000749238_100000694398 [0,0,0,1,0,0|3,0,0]=4 9839 B11R1.99 CSCCCOCCC1CC1 34a_100000690336_100000694398 [0,0,0,1,0,0|3,0,0]=4 9840 B11R1.99 CSCCCOCCC1CC1 7a_100000690336_100000764125 [0,0,0,1,0,0|3,0,0]=4 9841 B11R1.99 ClCCCCCCOC1CC1 34a_100000766143_100000211595 [0,0,0,1,0,0|2,0,1]=4 9842 B11R1.99 ClCCCCCOCC1CC1 34a_100000746330_100000742324 [0,0,0,1,0,0|2,0,1]=4 9843 B11R1.99 ClCCCCCOCC1CC1 7a_100000746330_100000742324 [0,0,0,1,0,0|2,0,1]=4 9844 B11R1.99 ClCCCCOCCC1CC1 34a_100000210776_100000694398 [0,0,0,1,0,0|2,0,1]=4 9845 B11R1.99 ClCCCCOCCC1CC1 7a_100000210776_100000764125 [0,0,0,1,0,0|2,0,1]=4 9846 B11R1.99 FCCCCCCNC1CC1 34a_100000212008_100015922095 [0,0,0,1,0,0|2,0,1]=4 9847 B11R1.99 FCCCCCCOC1CC1 34a_100000732779_100000211595 [0,0,0,1,0,0|2,0,1]=4 9848 B11R1.99 FCCCCCCSC1CC1 62a_100015922095_100000211595 [0,0,0,1,0,0|2,0,1]=4 9849 B11R1.99 FCCCCCNCC1CC1 2230a_100000735609_100000729378 [0,0,0,1,0,0|2,0,1]=4 9850 B11R1.99 FCCCCCNCC1CC1 34a_100000735609_100000729378 [0,0,0,1,0,0|2,0,1]=4 9851 B11R1.99 FCCCCCOCC1CC1 34a_100000211283_100000729378 [0,0,0,1,0,0|2,0,1]=4 9852 B11R1.99 FCCCCCSCC1CC1 62a_100000729378_100000742324 [0,0,0,1,0,0|2,0,1]=4 9853 B11R1.99 FCCCCCSCC1CC1 62a_100000756562_100000729378 [0,0,0,1,0,0|2,0,1]=4 9854 B11R1.99 FCCCCNCCC1CC1 34a_100000764129_100000729493 [0,0,0,1,0,0|2,0,1]=4 9855 B11R1.99 FCCCCOCCC1CC1 34a_100000754188_100000729493 [0,0,0,1,0,0|2,0,1]=4 9856 B11R1.99 FCCCCOCCC1CC1 34a_100011995726_100000694398 [0,0,0,1,0,0|2,0,1]=4 9857 B11R1.99 FCCCCOCCC1CC1 7a_100000754188_100000729493 [0,0,0,1,0,0|2,0,1]=4 9858 B11R1.99 FCCCCOCCC1CC1 7a_100011995726_100000764125 [0,0,0,1,0,0|2,0,1]=4 9859 B11R1.99 FCCCCSCCC1CC1 62a_100000729493_100000764125 [0,0,0,1,0,0|2,0,1]=4 9860 B11R1.99 FCCCCSCCC1CC1 62a_100000764125_100000729493 [0,0,0,1,0,0|2,0,1]=4 9861 B11R1.99 ICCCCCOCC1CC1 34a_200012148887_100000742324 [0,0,0,1,0,0|2,0,1]=4 9862 B11R1.99 ICCCCCOCC1CC1 7a_200012148887_100000742324 [0,0,0,1,0,0|2,0,1]=4 9863 B11R1.99 ICCCCOCCC1CC1 34a_200012148704_100000694398 [0,0,0,1,0,0|2,0,1]=4 9864 B11R1.99 N#CCCCCCSC1CC1 62a_100009813376_100000211595 [0,0,0,1,0,0|2,0,1]=4 9865 B11R1.99 N#CCCCCNCC1CC1 2230a_100000735609_100000211819 [0,0,0,1,0,0|2,0,1]=4 9866 B11R1.99 N#CCCCCSCC1CC1 62a_100000756562_100000211819 [0,0,0,1,0,0|2,0,1]=4 9867 B11R1.99 N#CCCCCSCC1CC1 62a_100011219923_100000742324 [0,0,0,1,0,0|2,0,1]=4 9868 B11R1.99 N#CCCCOCCC1CC1 7a_100000754188_100000687738 [0,0,0,1,0,0|2,0,1]=4 9869 B11R1.99 N#CCCCSCCC1CC1 62a_100000687738_100000764125 [0,0,0,1,0,0|2,0,1]=4 9870 B11R1.99 N#CCCCSCCC1CC1 62a_100000764125_100000687738 [0,0,0,1,0,0|2,0,1]=4 9871 B11R1.99 NCCCCCCOC1CC1 34a_100000686447_100000211595 [0,0,0,1,0,0|2,0,1]=4 9872 B11R1.99 NCCCCCOCC1CC1 34a_100000762737_100000742324 [0,0,0,1,0,0|2,0,1]=4 9873 B11R1.99 NCCCCOCCC1CC1 34a_100000750430_100000694398 [0,0,0,1,0,0|2,0,1]=4 9874 B11R1.99 O=CCCCCCSC1CC1 62a_100000139337_100000211595 [0,0,0,1,0,0|1,0,0]=2 9875 B11R1.99 O=CCCCCNCC1CC1 2230a_100000735609_100000139335 [0,0,0,1,0,0|1,0,0]=2 9876 B11R1.99 O=CCCCCSCC1CC1 62a_100000139335_100000742324 [0,0,0,1,0,0|1,0,0]=2 9877 B11R1.99 O=CCCCCSCC1CC1 62a_100000756562_100000139335 [0,0,0,1,0,0|1,0,0]=2 9878 B11R1.99 O=CCCCCSCC1CO1 62a_100000139335_102125554688 [0,0,0,1,0,0|2,0,0]=3 9879 B11R1.99 O=CCCCCSCC1CO1 62a_102125554688_100000139335 [0,0,0,1,0,0|2,0,0]=3 9880 B11R1.99 O=CCCCCSCC1CS1 62a_100000031435_100000139335 [0,0,0,1,0,0|2,0,0]=3 9881 B11R1.99 O=CCCCCSCC1CS1 62a_100000139335_100000031435 [0,0,0,1,0,0|2,0,0]=3 9882 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000139335_100000745022 [0,0,0,1,0,0|2,0,0]=3 9883 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000745022_100000139335 [0,0,0,1,0,0|2,0,0]=3 9884 B11R1.99 O=CCCCOCCC1CC1 7a_100000754188_200011292268 [0,0,0,1,0,0|1,0,0]=2 9885 B11R1.99 O=CCCCSCCC1CC1 62a_100000764125_200011292268 [0,0,0,1,0,0|1,0,0]=2 9886 B11R1.99 O=CCCCSCCC1CC1 62a_200011292268_100000764125 [0,0,0,1,0,0|1,0,0]=2 9887 B11R1.99 O=CCCCSCCC1CO1 62a_100000732470_200011292268 [0,0,0,1,0,0|2,0,0]=3 9888 B11R1.99 O=CCCCSCCC1CO1 62a_200011292268_100000732470 [0,0,0,1,0,0|2,0,0]=3 9889 B11R1.99 OCCCCCCNC1CC1 34a_100000212008_100000766143 [0,0,0,1,0,0|1,0,2]=4 9890 B11R1.99 OCCCCCCNC1CC1 34a_100000686447_100000211595 [0,0,0,1,0,0|1,0,2]=4 9891 B11R1.99 OCCCCCCSC1CC1 62a_100000766143_100000211595 [0,0,0,1,0,0|1,0,2]=4 9892 B11R1.99 OCCCCCNCC1CC1 2230a_100000735609_100000746330 [0,0,0,1,0,0|1,0,2]=4 9893 B11R1.99 OCCCCCNCC1CC1 2230a_100000762737_100000742324 [0,0,0,1,0,0|1,0,2]=4 9894 B11R1.99 OCCCCCNCC1CC1 269862a_100000762737_100000741477 [0,0,0,1,0,0|1,0,2]=4 9895 B11R1.99 OCCCCCNCC1CC1 34a_100000735609_100000746330 [0,0,0,1,0,0|1,0,2]=4 9896 B11R1.99 OCCCCCNCC1CC1 34a_100000762737_100000742324 [0,0,0,1,0,0|1,0,2]=4 9897 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [0,0,0,1,0,0|1,0,2]=4 9898 B11R1.99 OCCCCCSCC1CC1 62a_100000746330_100000742324 [0,0,0,1,0,0|1,0,2]=4 9899 B11R1.99 OCCCCCSCC1CC1 62a_100000756562_100000746330 [0,0,0,1,0,0|1,0,2]=4 9900 B11R1.99 OCCCCNCCC1CC1 2230a_100000750430_100000694398 [0,0,0,1,0,0|1,0,2]=4 9901 B11R1.99 OCCCCNCCC1CC1 34a_100000750430_100000694398 [0,0,0,1,0,0|1,0,2]=4 9902 B11R1.99 OCCCCNCCC1CC1 34a_100000764129_100011216708 [0,0,0,1,0,0|1,0,2]=4 9903 B11R1.99 OCCCCOCCC1CC1 34a_100000754188_100011216708 [0,0,0,1,0,0|1,0,2]=4 9904 B11R1.99 OCCCCOCCC1CC1 7a_100000754188_100000210776 [0,0,0,1,0,0|1,0,2]=4 9905 B11R1.99 OCCCCSCCC1CC1 62a_100000210776_100000764125 [0,0,0,1,0,0|1,0,2]=4 9906 B11R1.99 OCCCCSCCC1CC1 62a_100000764125_100000210776 [0,0,0,1,0,0|1,0,2]=4 9907 B11R1.109 C=CCN1CCC[C@H]1COC 2230a_100020646714_100000210623 [0,0,0,1,0,0|3,0,0]=4 9908 B11R1.109 C=CCN1CCC[C@H]1COC 269982a_100020646714_100000210623 [0,0,0,1,0,0|3,0,0]=4 9909 B11R1.109 C=CCN1CCC[C@H]1COC 34a_100020646714_100015514636 [0,0,0,1,0,0|3,0,0]=4 9910 B11R1.109 CCCC1CCCC1NCC 269862a_100015525214_100000723119 [0,0,0,1,0,0|2,0,1]=4 9911 B11R1.109 CCCC1CCCC1NCC 270004a_100015525214_100000723119 [0,0,0,1,0,0|2,0,1]=4 9912 B11R1.109 CCCN1CCCC1COC 34a_200000694710_200000210301 [0,0,0,1,0,0|3,0,0]=4 9913 B11R1.109 CCCN1CCCC1COC 7a_200000694710_200000210301 [0,0,0,1,0,0|3,0,0]=4 9914 B11R1.109 CCCN1CCCC1CO[13CH3] 34a_200000694710_200025704644 [0,0,0,1,0,0|3,0,0]=4 9915 B11R1.109 CCCN1CCCC1CO[13CH3] 7a_200000694710_200025704644 [0,0,0,1,0,0|3,0,0]=4 9916 B11R1.109 CCCN1CCC[C@H]1COC 2230a_100020646714_100000210303 [0,0,0,1,0,0|3,0,0]=4 9917 B11R1.109 CCCN1CCC[C@H]1COC 269982a_100020646714_100000210303 [0,0,0,1,0,0|3,0,0]=4 9918 B11R1.109 CCCN1CCC[C@H]1COC 34a_100020646714_100000210303 [0,0,0,1,0,0|3,0,0]=4 9919 B11R1.109 COC[C@@H]1CCCN1CC=O 2230a_100020646714_200015260668 [0,0,0,1,0,0|2,0,0]=3 9920 B11R1.109 COC[C@@H]1CCCN1CC=O 269982a_100020646714_200015260668 [0,0,0,1,0,0|2,0,0]=3 9921 B11R1.109 COC[C@@H]1CCCN1CC=O 34a_100020646714_200009817547 [0,0,0,1,0,0|2,0,0]=3 9922 B11R1.117 C#CCN1CCCCCCC1 2230a_100000211400_100000038162 [0,0,0,1,0,0|2,0,1]=4 9923 B11R1.117 C#CCN1CCCCCCC1 34a_100000211400_100000184674 [0,0,0,1,0,0|2,0,1]=4 9924 B11R1.117 C=CCN1CCCCCCC1 2230a_100000211400_100000210623 [0,0,0,1,0,0|2,0,0]=3 9925 B11R1.117 C=CCN1CCCCCCC1 269982a_100000211400_100000210623 [0,0,0,1,0,0|2,0,0]=3 9926 B11R1.117 C=CCN1CCCCCCC1 34a_100000211400_100015514636 [0,0,0,1,0,0|2,0,0]=3 9927 B11R1.117 CCCN1CCCCCCC1 2230a_100000211400_100000210303 [0,0,0,1,0,0|2,0,1]=4 9928 B11R1.117 CCCN1CCCCCCC1 269982a_100000211400_100000210303 [0,0,0,1,0,0|2,0,1]=4 9929 B11R1.117 CCCN1CCCCCCC1 34a_100000211400_100000210303 [0,0,0,1,0,0|2,0,1]=4 9930 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [0,0,0,1,0,0|2,0,1]=4 9931 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [0,0,0,1,0,0|2,0,1]=4 9932 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [0,0,0,1,0,0|2,0,1]=4 9933 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [0,0,0,1,0,0|2,0,0]=3 9934 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [0,0,0,1,0,0|2,0,1]=4 9935 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [0,0,0,1,0,0|2,0,1]=4 9936 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [0,0,0,1,0,0|2,0,0]=3 9937 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [0,0,0,1,0,0|2,0,0]=3 9938 B11R1.117 COCN1CCCCCCC1 2230a_100000211400_100000766300 [0,0,0,1,0,0|3,0,0]=4 9939 B11R1.117 COCN1CCCCCCC1 269982a_100000211400_100000766300 [0,0,0,1,0,0|3,0,0]=4 9940 B11R1.117 CSCN1CCCCCCC1 2230a_100000211400_100011218213 [0,0,0,1,0,0|3,0,0]=4 9941 B11R1.117 CSCN1CCCCCCC1 269982a_100000211400_100011218213 [0,0,0,1,0,0|3,0,0]=4 9942 B11R1.117 CSCN1CCCCCCC1 34a_100000211400_100011218213 [0,0,0,1,0,0|3,0,0]=4 9943 B11R1.117 FCCN1CCCCCCC1 2230a_100000211400_100011217306 [0,0,0,1,0,0|2,0,1]=4 9944 B11R1.117 FCCN1CCCCCCC1 269982a_100000211400_100011217306 [0,0,0,1,0,0|2,0,1]=4 9945 B11R1.117 FCCN1CCCCCCC1 34a_100000211400_100011217306 [0,0,0,1,0,0|2,0,1]=4 9946 B11R1.117 FCNC1CCCCCCC1 34a_100000211152_100015361967 [0,0,0,1,0,0|2,0,1]=4 9947 B11R1.117 FCOC1C=CCCCCC1 34a_100000688657_100015361967 [0,0,0,1,0,0|3,0,0]=4 9948 B11R1.117 FCOC1CCCCCCC1 34a_100000210054_100015361967 [0,0,0,1,0,0|2,0,1]=4 9949 B11R1.117 FCOC1CCCCCCC1 7a_100000210054_100015361967 [0,0,0,1,0,0|2,0,1]=4 9950 B11R1.117 N#CCN1CCCCCCC1 2230a_100000211400_100011215382 [0,0,0,1,0,0|2,0,1]=4 9951 B11R1.117 N#CCN1CCCCCCC1 269982a_100000211400_100011214920 [0,0,0,1,0,0|2,0,1]=4 9952 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [0,0,0,1,0,0|1,0,0]=2 9953 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [0,0,0,1,0,0|1,0,0]=2 9954 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [0,0,0,1,0,0|1,0,0]=2 9955 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [0,0,0,1,0,0|1,0,2]=4 9956 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [0,0,0,1,0,0|1,0,2]=4 9957 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [0,0,0,1,0,0|1,0,2]=4 9958 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [0,0,0,1,0,0|2,0,0]=3 9959 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [0,0,0,1,0,0|2,0,0]=3 9960 B11R1.180 C#CCCCN1CCC[C@@H]1C 2230a_100020605311_100000731252 [0,0,0,1,0,0|2,0,1]=4 9961 B11R1.180 C#CCCCN1CCC[C@@H]1C 269982a_100020605311_100011215417 [0,0,0,1,0,0|2,0,1]=4 9962 B11R1.180 C#CCCCN1CCC[C@H]1C 2230a_100015189458_100000731252 [0,0,0,1,0,0|2,0,1]=4 9963 B11R1.180 C#CCCCN1CCC[C@H]1C 269982a_100015189458_100011215417 [0,0,0,1,0,0|2,0,1]=4 9964 B11R1.180 C#CCCCN1CCC[C@H]1C 34a_100015189458_100000695029 [0,0,0,1,0,0|2,0,1]=4 9965 B11R1.180 C#CCCNC1CCCC1=O 34a_100000755551_100000709159 [0,0,0,1,0,0|1,0,2]=4 9966 B11R1.180 C#CCCOC1CCCC1=O 34a_100011215631_100000709159 [0,0,0,1,0,0|1,0,2]=4 9967 B11R1.180 C#CCCOC1CCCC1=O 34a_200000719330_100000688953 [0,0,0,1,0,0|1,0,2]=4 9968 B11R1.180 C#CCCOC1CCCC1C 34a_100011216460_100000688953 [0,0,0,1,0,0|2,0,1]=4 9969 B11R1.180 C#CCCOC1CCCC1C 7a_100011216460_100000688953 [0,0,0,1,0,0|2,0,1]=4 9970 B11R1.180 C#CCCSC1CCCC1=O 62a_100000211823_100000688953 [0,0,0,1,0,0|1,0,2]=4 9971 B11R1.180 C#CCCSC1CCCC1=O 62a_100000688953_100000211823 [0,0,0,1,0,0|1,0,2]=4 9972 B11R1.180 C/C=C/COC1CCCC1=O 34a_100016270725_100000709159 [0,0,0,1,0,0|1,0,2]=4 9973 B11R1.180 C/C=C/COC1CCCC1=O 34a_200000719330_100102629194 [0,0,0,1,0,0|1,0,2]=4 9974 B11R1.180 C/C=C/COC1CCCC1C 34a_100011216460_100102629194 [0,0,0,1,0,0|2,0,1]=4 9975 B11R1.180 C/C=C/COC1CCCC1C 7a_100011216460_100102629194 [0,0,0,1,0,0|2,0,1]=4 9976 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100000211823_100102629194 [0,0,0,1,0,0|1,0,2]=4 9977 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100102629194_100000211823 [0,0,0,1,0,0|1,0,2]=4 9978 B11R1.180 C=CCCCN1CCC[C@@H]1C 2230a_100020605311_100011713584 [0,0,0,1,0,0|2,0,0]=3 9979 B11R1.180 C=CCCCN1CCC[C@@H]1C 269982a_100020605311_100000757094 [0,0,0,1,0,0|2,0,0]=3 9980 B11R1.180 C=CCCCN1CCC[C@H]1C 2230a_100015189458_100011713584 [0,0,0,1,0,0|2,0,0]=3 9981 B11R1.180 C=CCCCN1CCC[C@H]1C 269982a_100015189458_100000757094 [0,0,0,1,0,0|2,0,0]=3 9982 B11R1.180 C=CCCCN1CCC[C@H]1C 34a_100015189458_100000757094 [0,0,0,1,0,0|2,0,0]=3 9983 B11R1.180 C=CCCCN1CCSC1C 2230a_200011216479_100011713584 [0,0,0,1,0,0|3,0,0]=4 9984 B11R1.180 C=CCCCN1CCSC1C 269982a_200011216479_100000757094 [0,0,0,1,0,0|3,0,0]=4 9985 B11R1.180 C=CCCCN1CCSC1C 34a_200011216479_100000757094 [0,0,0,1,0,0|3,0,0]=4 9986 B11R1.180 C=CCCNC1CCCC1=O 2230a_100015191253_100000211823 [0,0,0,1,0,0|1,0,2]=4 9987 B11R1.180 C=CCCNC1CCCC1C 269862a_100015191253_100000752053 [0,0,0,1,0,0|2,0,0]=3 9988 B11R1.180 C=CCCNC1CCOC1C 270004a_100015191253_100000691750 [0,0,0,1,0,0|3,0,0]=4 9989 B11R1.180 C=CCCOC1CCCC1=O 34a_100011205117_100000709159 [0,0,0,1,0,0|1,0,2]=4 9990 B11R1.180 C=CCCOC1CCCC1=O 34a_200000719330_100000754431 [0,0,0,1,0,0|1,0,2]=4 9991 B11R1.180 C=CCCOC1CCCC1C 34a_100011216460_100000754431 [0,0,0,1,0,0|2,0,0]=3 9992 B11R1.180 C=CCCOC1CCCC1C 7a_100011216460_100000754431 [0,0,0,1,0,0|2,0,0]=3 9993 B11R1.180 C=CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000754431 [0,0,0,1,0,0|3,0,0]=4 9994 B11R1.180 C=CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000754431 [0,0,0,1,0,0|3,0,0]=4 9995 B11R1.180 C=CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000754431 [0,0,0,1,0,0|3,0,0]=4 9996 B11R1.180 C=CCCSC1CCCC1=O 62a_100000211823_100000754431 [0,0,0,1,0,0|1,0,2]=4 9997 B11R1.180 C=CCCSC1CCCC1=O 62a_100000754431_100000211823 [0,0,0,1,0,0|1,0,2]=4 9998 B11R1.180 C=CCCS[C@@H]1CCC[C@H]1O 62a_100000754431_200016002552 [0,0,0,1,0,0|3,0,0]=4 9999 B11R1.180 C=CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000754431 [0,0,0,1,0,0|3,0,0]=4 10000 B11R1.180 C=CCOCC1CCCN1C 34a_100000743107_100015514636 [0,0,0,1,0,0|3,0,0]=4 10001 B11R1.180 C=COCCN1CCC[C@@H]1C 2230a_100020605311_100000039644 [0,0,0,1,0,0|3,0,0]=4 10002 B11R1.180 C=COCCN1CCC[C@@H]1C 269982a_100020605311_100000039644 [0,0,0,1,0,0|3,0,0]=4 10003 B11R1.180 C=COCCN1CCC[C@H]1C 2230a_100015189458_100000039644 [0,0,0,1,0,0|3,0,0]=4 10004 B11R1.180 C=COCCN1CCC[C@H]1C 269982a_100015189458_100000039644 [0,0,0,1,0,0|3,0,0]=4 10005 B11R1.180 C=COCCN1CCC[C@H]1C 34a_100015189458_100000039644 [0,0,0,1,0,0|3,0,0]=4 10006 B11R1.180 CC#CCNC1CCCC1=O 2230a_100000685387_100000211823 [0,0,0,1,0,0|1,0,2]=4 10007 B11R1.180 CC#CCNC1CCCC1=O 34a_100000685387_100000709159 [0,0,0,1,0,0|1,0,2]=4 10008 B11R1.180 CC#CCOC1CCCC1=O 34a_100000761923_100000709159 [0,0,0,1,0,0|1,0,2]=4 10009 B11R1.180 CC#CCOC1CCCC1=O 34a_200000719330_100000748600 [0,0,0,1,0,0|1,0,2]=4 10010 B11R1.180 CC#CCSC1CCCC1=O 62a_100000211823_100000748600 [0,0,0,1,0,0|1,0,2]=4 10011 B11R1.180 CC#CCSC1CCCC1=O 62a_100000748600_100000211823 [0,0,0,1,0,0|1,0,2]=4 10012 B11R1.180 CC1CCCC1NCCCF 269862a_100015189416_100000752053 [0,0,0,1,0,0|2,0,1]=4 10013 B11R1.180 CC1CCCC1NCCCO 269862a_100000182051_100000752053 [0,0,0,1,0,0|1,0,2]=4 10014 B11R1.180 CC1CCCC1OCCC#N 7a_100011216460_100000184422 [0,0,0,1,0,0|2,0,1]=4 10015 B11R1.180 CC1CCCC1OCCCF 34a_100011216460_100011934791 [0,0,0,1,0,0|2,0,1]=4 10016 B11R1.180 CC1CCCC1OCCCF 7a_100011216460_100011934791 [0,0,0,1,0,0|2,0,1]=4 10017 B11R1.180 CC1CCCC1OCCCO 34a_100011216460_100000230001 [0,0,0,1,0,0|1,0,2]=4 10018 B11R1.180 CC1CCCC1OCCCO 7a_100011216460_100011215043 [0,0,0,1,0,0|1,0,2]=4 10019 B11R1.180 CC1SCCN1CCCC=O 2230a_200011216479_200011292268 [0,0,0,1,0,0|2,0,0]=3 10020 B11R1.180 CC1SCCN1CCCC=O 269982a_200011216479_200011292268 [0,0,0,1,0,0|2,0,0]=3 10021 B11R1.180 CC=CCOC1CCCC1=O 34a_200000719330_100000070051 [0,0,0,1,0,0|1,0,2]=4 10022 B11R1.180 CC=CCOC1CCCC1C 34a_100011216460_100000070051 [0,0,0,1,0,0|2,0,1]=4 10023 B11R1.180 CC=CCOC1CCCC1C 7a_100011216460_100000070051 [0,0,0,1,0,0|2,0,1]=4 10024 B11R1.180 CC=CCSC1CCCC1=O 62a_100000070051_100000211823 [0,0,0,1,0,0|1,0,2]=4 10025 B11R1.180 CC=CCSC1CCCC1=O 62a_100000211823_100000070051 [0,0,0,1,0,0|1,0,2]=4 10026 B11R1.180 CCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210326 [0,0,0,1,0,0|2,0,1]=4 10027 B11R1.180 CCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210215 [0,0,0,1,0,0|2,0,1]=4 10028 B11R1.180 CCCCCN1CCC[C@H]1C 2230a_100015189458_100000210326 [0,0,0,1,0,0|2,0,1]=4 10029 B11R1.180 CCCCCN1CCC[C@H]1C 269982a_100015189458_100000210215 [0,0,0,1,0,0|2,0,1]=4 10030 B11R1.180 CCCCCN1CCC[C@H]1C 34a_100015189458_100000718602 [0,0,0,1,0,0|2,0,1]=4 10031 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [0,0,0,1,0,0|1,0,0]=2 10032 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [0,0,0,1,0,0|1,0,0]=2 10033 B11R1.180 CCCCNC1CCCC1C 269862a_100000102301_100000752053 [0,0,0,1,0,0|2,0,1]=4 10034 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [0,0,0,1,0,0|2,0,0]=3 10035 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [0,0,0,1,0,0|2,0,0]=3 10036 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [0,0,0,1,0,0|2,0,0]=3 10037 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [0,0,0,1,0,0|2,0,0]=3 10038 B11R1.180 CCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210211 [0,0,0,1,0,0|3,0,0]=4 10039 B11R1.180 CCCCN[C@@H]1CONC1=O 34a_100000765999_100000210210 [0,0,0,1,0,0|3,0,0]=4 10040 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [0,0,0,1,0,0|1,0,0]=2 10041 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [0,0,0,1,0,0|1,0,0]=2 10042 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [0,0,0,1,0,0|1,0,0]=2 10043 B11R1.180 CCCCOC1CCCC1C 34a_100011216460_100000210210 [0,0,0,1,0,0|2,0,1]=4 10044 B11R1.180 CCCCOC1CCCC1C 7a_100011216460_100000210211 [0,0,0,1,0,0|2,0,1]=4 10045 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [0,0,0,1,0,0|2,0,0]=3 10046 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [0,0,0,1,0,0|2,0,0]=3 10047 B11R1.180 CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210210 [0,0,0,1,0,0|2,0,1]=4 10048 B11R1.180 CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210210 [0,0,0,1,0,0|2,0,1]=4 10049 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [0,0,0,1,0,0|2,0,0]=3 10050 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [0,0,0,1,0,0|1,0,0]=2 10051 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [0,0,0,1,0,0|1,0,0]=2 10052 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [0,0,0,1,0,0|2,0,0]=3 10053 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [0,0,0,1,0,0|2,0,0]=3 10054 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_100000210211_200016002552 [0,0,0,1,0,0|1,0,2]=4 10055 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210210 [0,0,0,1,0,0|1,0,2]=4 10056 B11R1.180 CCCOCC1=CCCC1=O 34a_100000087531_100000210303 [0,0,0,1,0,0|1,0,2]=4 10057 B11R1.180 CCCOCC1CCCN1C 34a_100000743107_100000210303 [0,0,0,1,0,0|3,0,0]=4 10058 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [0,0,0,1,0,0|2,0,0]=3 10059 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [0,0,0,1,0,0|2,0,0]=3 10060 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [0,0,0,1,0,0|2,0,0]=3 10061 B11R1.180 CCNCCC1CCCN1C 2230a_100015525214_100000005710 [0,0,0,1,0,0|3,0,0]=4 10062 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [0,0,0,1,0,0|2,0,0]=3 10063 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [0,0,0,1,0,0|2,0,0]=3 10064 B11R1.180 CCNCCN1CCNC1=O 2230a_100011207550_100000210202 [0,0,0,1,0,0|3,0,0]=4 10065 B11R1.180 CCNCCN1CCNC1=O 2230a_100015525214_100000090651 [0,0,0,1,0,0|3,0,0]=4 10066 B11R1.180 CCOCCC1CCCN1C 34a_100011215177_100000210202 [0,0,0,1,0,0|3,0,0]=4 10067 B11R1.180 CCOCCC1CCCN1C 34a_100121572206_100000005710 [0,0,0,1,0,0|3,0,0]=4 10068 B11R1.180 CCOCCC1CCCN1C 7a_100011215177_100000210202 [0,0,0,1,0,0|3,0,0]=4 10069 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [0,0,0,1,0,0|2,0,0]=3 10070 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [0,0,0,1,0,0|2,0,0]=3 10071 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [0,0,0,1,0,0|2,0,0]=3 10072 B11R1.180 CCOCCN1CCNC1=O 34a_100000216532_100000210202 [0,0,0,1,0,0|3,0,0]=4 10073 B11R1.180 CCOCSC1CCCC1=O 62a_100000211823_100000739092 [0,0,0,1,0,0|2,0,0]=3 10074 B11R1.180 CCOCSC1CCCC1=O 62a_100000739092_100000211823 [0,0,0,1,0,0|2,0,0]=3 10075 B11R1.180 CCOCSC1CCOC1=O 62a_100000211211_100000739092 [0,0,0,1,0,0|3,0,0]=4 10076 B11R1.180 CCOCSC1CCOC1=O 62a_100000739092_100000211211 [0,0,0,1,0,0|3,0,0]=4 10077 B11R1.180 CCSCCC1CCCN1C 62a_100000005710_100000210202 [0,0,0,1,0,0|3,0,0]=4 10078 B11R1.180 CCSCCC1CCCN1C 62a_100000210202_100000005710 [0,0,0,1,0,0|3,0,0]=4 10079 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [0,0,0,1,0,0|2,0,0]=3 10080 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [0,0,0,1,0,0|2,0,0]=3 10081 B11R1.180 CCSCCN1CCNC1=O 62a_100000090651_100000210202 [0,0,0,1,0,0|3,0,0]=4 10082 B11R1.180 CCSCCN1CCNC1=O 62a_100000210202_100000090651 [0,0,0,1,0,0|3,0,0]=4 10083 B11R1.180 CN1CCCC1COCC=O 34a_100000743107_200009817547 [0,0,0,1,0,0|2,0,0]=3 10084 B11R1.180 CNCCCN1CCCC1=O 2230a_100000210347_200000210301 [0,0,0,1,0,0|2,0,0]=3 10085 B11R1.180 CNCCCN1CCCC1=O 34a_100000210347_200000210301 [0,0,0,1,0,0|2,0,0]=3 10086 B11R1.180 COCCCN1CCCC1=O 34a_100011216539_200000210301 [0,0,0,1,0,0|2,0,0]=3 10087 B11R1.180 COCCCN1CCCC1=O 7a_100011216539_200000210301 [0,0,0,1,0,0|2,0,0]=3 10088 B11R1.180 COCCCN1CCC[C@@H]1C 2230a_100020605311_100000740836 [0,0,0,1,0,0|3,0,0]=4 10089 B11R1.180 COCCCN1CCC[C@@H]1C 269982a_100020605311_100000740836 [0,0,0,1,0,0|3,0,0]=4 10090 B11R1.180 COCCCN1CCC[C@H]1C 2230a_100015189458_100000740836 [0,0,0,1,0,0|3,0,0]=4 10091 B11R1.180 COCCCN1CCC[C@H]1C 269982a_100015189458_100000740836 [0,0,0,1,0,0|3,0,0]=4 10092 B11R1.180 COCCCN1CCC[C@H]1C 34a_100015189458_100000740836 [0,0,0,1,0,0|3,0,0]=4 10093 B11R1.180 COCCNC1CCCC1=O 2230a_100000209980_100000211823 [0,0,0,1,0,0|2,0,0]=3 10094 B11R1.180 COCCNC1CCCC1C 269862a_100000209980_100000752053 [0,0,0,1,0,0|3,0,0]=4 10095 B11R1.180 COCCNC1CCNC1=O 2230a_100016995588_100011201679 [0,0,0,1,0,0|3,0,0]=4 10096 B11R1.180 COCCNC1CCNC1=O 34a_100016995588_100011201679 [0,0,0,1,0,0|3,0,0]=4 10097 B11R1.180 COCCNC1CCOC1=O 2230a_100000209980_100000211211 [0,0,0,1,0,0|3,0,0]=4 10098 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [0,0,0,1,0,0|2,0,0]=3 10099 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [0,0,0,1,0,0|2,0,0]=3 10100 B11R1.180 COCCOC1CCCC1C 34a_100011216460_100011201679 [0,0,0,1,0,0|3,0,0]=4 10101 B11R1.180 COCCOC1CCCC1C 7a_100011216460_100000233755 [0,0,0,1,0,0|3,0,0]=4 10102 B11R1.180 COCCOC1CCOC1=O 34a_100000210237_100000211211 [0,0,0,1,0,0|3,0,0]=4 10103 B11R1.180 COCCO[C@H]1CCNC1=O 34a_100000688343_100011201679 [0,0,0,1,0,0|3,0,0]=4 10104 B11R1.180 COCCSC1CCCC1=O 62a_100000211823_100000233755 [0,0,0,1,0,0|2,0,0]=3 10105 B11R1.180 COCCSC1CCCC1=O 62a_100000233755_100000211823 [0,0,0,1,0,0|2,0,0]=3 10106 B11R1.180 COCCSC1CCOC1=O 62a_100000211211_100000233755 [0,0,0,1,0,0|3,0,0]=4 10107 B11R1.180 COCCSC1CCOC1=O 62a_100000233755_100000211211 [0,0,0,1,0,0|3,0,0]=4 10108 B11R1.180 COCSCN1CCCC1=O 62a_100000026320_100000766300 [0,0,0,1,0,0|3,0,0]=4 10109 B11R1.180 COCSCN1CCCC1=O 62a_100000766300_100000026320 [0,0,0,1,0,0|3,0,0]=4 10110 B11R1.180 CSCCNC1CCCC1=O 2230a_100020590264_100000211823 [0,0,0,1,0,0|2,0,0]=3 10111 B11R1.180 CSCCNC1CCCC1C 269862a_100020590264_100000752053 [0,0,0,1,0,0|3,0,0]=4 10112 B11R1.180 CSCCNC1CCNC1=O 2230a_100016995588_100000751147 [0,0,0,1,0,0|3,0,0]=4 10113 B11R1.180 CSCCNC1CCNC1=O 34a_100016995588_100000212216 [0,0,0,1,0,0|3,0,0]=4 10114 B11R1.180 CSCCNC1CCOC1=O 2230a_100020590264_100000211211 [0,0,0,1,0,0|3,0,0]=4 10115 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [0,0,0,1,0,0|2,0,0]=3 10116 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [0,0,0,1,0,0|2,0,0]=3 10117 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [0,0,0,1,0,0|2,0,0]=3 10118 B11R1.180 CSCCOC1CCCC1C 34a_100011216460_100000212216 [0,0,0,1,0,0|3,0,0]=4 10119 B11R1.180 CSCCOC1CCCC1C 7a_100011216460_100000212216 [0,0,0,1,0,0|3,0,0]=4 10120 B11R1.180 CSCCOC1CCOC1=O 34a_100000230434_100000211211 [0,0,0,1,0,0|3,0,0]=4 10121 B11R1.180 CSCCOC1CCOC1=O 7a_100000230434_100000211211 [0,0,0,1,0,0|3,0,0]=4 10122 B11R1.180 CSCCO[C@H]1CCNC1=O 34a_100000688343_100000212216 [0,0,0,1,0,0|3,0,0]=4 10123 B11R1.180 CSCCSC1CCCC1=O 62a_100000211823_100000751147 [0,0,0,1,0,0|2,0,0]=3 10124 B11R1.180 CSCCSC1CCCC1=O 62a_100000212216_100000211823 [0,0,0,1,0,0|2,0,0]=3 10125 B11R1.180 CSCCSC1CCOC1=O 62a_100000211211_100000751147 [0,0,0,1,0,0|3,0,0]=4 10126 B11R1.180 CSCCSC1CCOC1=O 62a_100000212216_100000211211 [0,0,0,1,0,0|3,0,0]=4 10127 B11R1.180 CSCOCC1CCNC1=O 34a_100000133458_100011218213 [0,0,0,1,0,0|3,0,0]=4 10128 B11R1.180 CSCSCN1CCCC1=O 62a_100000026320_100011218213 [0,0,0,1,0,0|3,0,0]=4 10129 B11R1.180 CSCSCN1CCCC1=O 62a_100011218213_100000026320 [0,0,0,1,0,0|3,0,0]=4 10130 B11R1.180 C[C@@H]1CCCN1CCCC#N 2230a_100015189458_100000687738 [0,0,0,1,0,0|2,0,1]=4 10131 B11R1.180 C[C@@H]1CCCN1CCCC#N 269982a_100015189458_100000687738 [0,0,0,1,0,0|2,0,1]=4 10132 B11R1.180 C[C@@H]1CCCN1CCCC=O 2230a_100015189458_200011292268 [0,0,0,1,0,0|1,0,0]=2 10133 B11R1.180 C[C@@H]1CCCN1CCCC=O 269982a_100015189458_200011292268 [0,0,0,1,0,0|1,0,0]=2 10134 B11R1.180 C[C@@H]1CCCN1CCCCF 2230a_100015189458_100000729493 [0,0,0,1,0,0|2,0,1]=4 10135 B11R1.180 C[C@@H]1CCCN1CCCCF 269982a_100015189458_100000729493 [0,0,0,1,0,0|2,0,1]=4 10136 B11R1.180 C[C@@H]1CCCN1CCCCF 34a_100015189458_100000729493 [0,0,0,1,0,0|2,0,1]=4 10137 B11R1.180 C[C@@H]1CCCN1CCCCO 2230a_100015189458_100000210776 [0,0,0,1,0,0|1,0,2]=4 10138 B11R1.180 C[C@@H]1CCCN1CCCCO 269982a_100015189458_100000210776 [0,0,0,1,0,0|1,0,2]=4 10139 B11R1.180 C[C@@H]1CCCN1CCCCO 34a_100015189458_100011216708 [0,0,0,1,0,0|1,0,2]=4 10140 B11R1.180 C[C@H]1CCCN1CCCC#N 2230a_100020605311_100000687738 [0,0,0,1,0,0|2,0,1]=4 10141 B11R1.180 C[C@H]1CCCN1CCCC#N 269982a_100020605311_100000687738 [0,0,0,1,0,0|2,0,1]=4 10142 B11R1.180 C[C@H]1CCCN1CCCC=O 2230a_100020605311_200011292268 [0,0,0,1,0,0|1,0,0]=2 10143 B11R1.180 C[C@H]1CCCN1CCCC=O 269982a_100020605311_200011292268 [0,0,0,1,0,0|1,0,0]=2 10144 B11R1.180 C[C@H]1CCCN1CCCCF 2230a_100020605311_100000729493 [0,0,0,1,0,0|2,0,1]=4 10145 B11R1.180 C[C@H]1CCCN1CCCCF 269982a_100020605311_100000729493 [0,0,0,1,0,0|2,0,1]=4 10146 B11R1.180 C[C@H]1CCCN1CCCCO 2230a_100020605311_100000210776 [0,0,0,1,0,0|1,0,2]=4 10147 B11R1.180 C[C@H]1CCCN1CCCCO 269982a_100020605311_100000210776 [0,0,0,1,0,0|1,0,2]=4 10148 B11R1.180 N#CCCSC1CCCC1=O 62a_100000211823_100011215226 [0,0,0,1,0,0|2,0,1]=4 10149 B11R1.180 N#CCCSC1CCCC1=O 62a_100011215226_100000211823 [0,0,0,1,0,0|2,0,1]=4 10150 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [0,0,0,1,0,0|2,0,0]=3 10151 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [0,0,0,1,0,0|3,0,0]=4 10152 B11R1.180 NOCCOC1CCCC1=O 34a_100000700252_100000709159 [0,0,0,1,0,0|3,0,0]=4 10153 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [0,0,0,1,0,0|2,0,0]=3 10154 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [0,0,0,1,0,0|2,0,0]=3 10155 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [0,0,0,1,0,0|2,0,0]=3 10156 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [0,0,0,1,0,0|2,0,0]=3 10157 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [0,0,0,1,0,0|2,0,0]=3 10158 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [0,0,0,1,0,0|2,0,0]=3 10159 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [0,0,0,1,0,0|2,0,0]=3 10160 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [0,0,0,1,0,0|2,0,0]=3 10161 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [0,0,0,1,0,0|2,0,0]=3 10162 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [0,0,0,1,0,0|2,0,0]=3 10163 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [0,0,0,1,0,0|2,0,0]=3 10164 B11R1.180 O=C1CCCN1CCOCF 34a_100000211209_100015361967 [0,0,0,1,0,0|3,0,0]=4 10165 B11R1.180 O=C1CCCN1CCOCF 7a_100000211209_100015361967 [0,0,0,1,0,0|3,0,0]=4 10166 B11R1.180 O=C1CCCN1CCSCF 62a_100000739059_100015361967 [0,0,0,1,0,0|3,0,0]=4 10167 B11R1.180 O=C1CCCN1CCSCF 62a_100015361967_100000739059 [0,0,0,1,0,0|3,0,0]=4 10168 B11R1.180 O=C1CCCN1CSCCF 62a_100000026320_100011217306 [0,0,0,1,0,0|3,0,0]=4 10169 B11R1.180 O=C1CCCN1CSCCF 62a_100011217306_100000026320 [0,0,0,1,0,0|3,0,0]=4 10170 B11R1.180 O=C1CCCN1CSCCO 62a_100000026320_100000211926 [0,0,0,1,0,0|3,0,0]=4 10171 B11R1.180 O=C1CCCN1CSCCO 62a_100000211926_100000026320 [0,0,0,1,0,0|3,0,0]=4 10172 B11R1.180 O=C1NCCC1COCCF 34a_100000133458_100011217306 [0,0,0,1,0,0|3,0,0]=4 10173 B11R1.180 O=C1NCCC1COCCO 34a_100000133458_100000211926 [0,0,0,1,0,0|3,0,0]=4 10174 B11R1.180 O=C1NCCC1NCCCF 2230a_100016995588_100011934791 [0,0,0,1,0,0|3,0,0]=4 10175 B11R1.180 O=C1NCCC1NCCCF 34a_100016995588_100011934791 [0,0,0,1,0,0|3,0,0]=4 10176 B11R1.180 O=C1NCCC1NCCCO 2230a_100016995588_100000230001 [0,0,0,1,0,0|3,0,0]=4 10177 B11R1.180 O=C1NCCC1NCCCO 34a_100016995588_100000230001 [0,0,0,1,0,0|3,0,0]=4 10178 B11R1.180 O=C1NCC[C@@H]1OCCCF 34a_100000688343_100011934791 [0,0,0,1,0,0|3,0,0]=4 10179 B11R1.180 O=C1NCC[C@@H]1OCCCO 34a_100000688343_100000230001 [0,0,0,1,0,0|3,0,0]=4 10180 B11R1.180 O=C1OCCC1NCCCF 2230a_100015189416_100000211211 [0,0,0,1,0,0|3,0,0]=4 10181 B11R1.180 O=C1OCCC1NCCCF 34a_100015189416_100000211211 [0,0,0,1,0,0|3,0,0]=4 10182 B11R1.180 O=C1OCCC1OCCCBr 34a_100011217188_100000211211 [0,0,0,1,0,0|3,0,0]=4 10183 B11R1.180 O=C1OCCC1OCCCCl 34a_100000230001_100000211211 [0,0,0,1,0,0|3,0,0]=4 10184 B11R1.180 O=C1OCCC1OCCCF 34a_100000759539_100000211211 [0,0,0,1,0,0|3,0,0]=4 10185 B11R1.180 O=C1OCCC1SCCCF 62a_100000211211_100011934791 [0,0,0,1,0,0|3,0,0]=4 10186 B11R1.180 O=C1OCCC1SCCCF 62a_100011934791_100000211211 [0,0,0,1,0,0|3,0,0]=4 10187 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [0,0,0,1,0,0|3,0,0]=4 10188 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [0,0,0,1,0,0|3,0,0]=4 10189 B11R1.180 [13CH3]NCCCN1CCCC1=O 2230a_100000210347_200025704644 [0,0,0,1,0,0|2,0,0]=3 10190 B11R1.180 [13CH3]NCCCN1CCCC1=O 34a_100000210347_200025704644 [0,0,0,1,0,0|2,0,0]=3 10191 B11R1.180 [13CH3]OCCCN1CCCC1=O 34a_100011216539_200025704644 [0,0,0,1,0,0|2,0,0]=3 10192 B11R1.180 [13CH3]OCCCN1CCCC1=O 7a_100011216539_200025704644 [0,0,0,1,0,0|2,0,0]=3 10193 B11R1.190 C#CCCCCN1CCC1C 269982a_100000755817_100010269958 [0,0,0,1,0,0|2,0,1]=4 10194 B11R1.190 C#CCCCCN1CCC1C 34a_100000755817_100010269958 [0,0,0,1,0,0|2,0,1]=4 10195 B11R1.190 C#CCCCNC1CCC1=O 34a_100000718082_100009892977 [0,0,0,1,0,0|1,0,2]=4 10196 B11R1.190 C#CCCCOC1CCC1=O 34a_100000215630_100009892977 [0,0,0,1,0,0|1,0,2]=4 10197 B11R1.190 C#CCCCOC1CCC1=O 7a_100000215630_100009892977 [0,0,0,1,0,0|1,0,2]=4 10198 B11R1.190 C#CCCCSC1CCC1=O 62a_100009892977_100011215417 [0,0,0,1,0,0|1,0,2]=4 10199 B11R1.190 C#CCCCSC1CCC1=O 62a_100011215417_100009892977 [0,0,0,1,0,0|1,0,2]=4 10200 B11R1.190 C#CCSCCC1CCC1=O 62a_100000038162_200016118888 [0,0,0,1,0,0|1,0,2]=4 10201 B11R1.190 C/C=C/CCOC1CCC1=O 34a_100016278192_100009892977 [0,0,0,1,0,0|1,0,2]=4 10202 B11R1.190 C=CCCCCN1CCC1C 269982a_100000755817_100011215482 [0,0,0,1,0,0|2,0,0]=3 10203 B11R1.190 C=CCCCCN1CCC1C 34a_100000755817_100011215482 [0,0,0,1,0,0|2,0,0]=3 10204 B11R1.190 C=CCCCNC1CCC1=O 34a_100000700776_100009892977 [0,0,0,1,0,0|1,0,2]=4 10205 B11R1.190 C=CCCCOC1CCC1=O 34a_100000758997_100009892977 [0,0,0,1,0,0|1,0,2]=4 10206 B11R1.190 C=CCCCOC1CCC1=O 7a_100000758997_100009892977 [0,0,0,1,0,0|1,0,2]=4 10207 B11R1.190 C=CCCCSC1CCC1=O 62a_100009892977_100000757094 [0,0,0,1,0,0|1,0,2]=4 10208 B11R1.190 C=CCCCSC1CCC1=O 62a_100011713584_100009892977 [0,0,0,1,0,0|1,0,2]=4 10209 B11R1.190 C=CCNCCC1CCC1=O 2230a_100020586998_200016118888 [0,0,0,1,0,0|1,0,2]=4 10210 B11R1.190 C=CCSCCC1CCC1=O 62a_100000210623_200016118888 [0,0,0,1,0,0|1,0,2]=4 10211 B11R1.190 C=CCSCCC1CCC1=O 62a_200016118888_100000210623 [0,0,0,1,0,0|1,0,2]=4 10212 B11R1.190 CC#CCCOC1CCC1=O 34a_100000750427_100009892977 [0,0,0,1,0,0|1,0,2]=4 10213 B11R1.190 CC/C=C\COC1CCC1=O 34a_100016268518_100009892977 [0,0,0,1,0,0|1,0,2]=4 10214 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100009892977_100103147603 [0,0,0,1,0,0|1,0,2]=4 10215 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100103147603_100009892977 [0,0,0,1,0,0|1,0,2]=4 10216 B11R1.190 CC1CCN1CCCCC#N 269982a_100000755817_100011219923 [0,0,0,1,0,0|2,0,1]=4 10217 B11R1.190 CC1CCN1CCCCC=O 269982a_100000755817_100000139335 [0,0,0,1,0,0|1,0,0]=2 10218 B11R1.190 CC1CCN1CCCCCF 269982a_100000755817_100000729378 [0,0,0,1,0,0|2,0,1]=4 10219 B11R1.190 CC1CCN1CCCCCF 34a_100000755817_100000729378 [0,0,0,1,0,0|2,0,1]=4 10220 B11R1.190 CC1CCN1CCCCCO 269982a_100000755817_100000746330 [0,0,0,1,0,0|1,0,2]=4 10221 B11R1.190 CC1CCN1CCCCCO 34a_100000755817_100000746330 [0,0,0,1,0,0|1,0,2]=4 10222 B11R1.190 CCC#CCOC1CCC1=O 34a_100000032950_100009892977 [0,0,0,1,0,0|1,0,2]=4 10223 B11R1.190 CCC#CCSC1CCC1=O 62a_100009813939_100009892977 [0,0,0,1,0,0|1,0,2]=4 10224 B11R1.190 CCC#CCSC1CCC1=O 62a_100009892977_100009813939 [0,0,0,1,0,0|1,0,2]=4 10225 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [0,0,0,1,0,0|2,0,1]=4 10226 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [0,0,0,1,0,0|2,0,1]=4 10227 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,0,0,1,0,0|1,0,0]=2 10228 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,0,0,1,0,0|1,0,0]=2 10229 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,0,0,1,0,0|1,0,0]=2 10230 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,0,0,1,0,0|1,0,0]=2 10231 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,0,0,1,0,0|1,0,0]=2 10232 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,0,0,1,0,0|1,0,0]=2 10233 B11R1.190 CCOCCNC1CCC1=O 34a_102516460346_100009892977 [0,0,0,1,0,0|2,0,0]=3 10234 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [0,0,0,1,0,0|2,0,0]=3 10235 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [0,0,0,1,0,0|2,0,0]=3 10236 B11R1.190 CCOCCSC1CCC1=O 62a_100000210147_100009892977 [0,0,0,1,0,0|2,0,0]=3 10237 B11R1.190 CCOCCSC1CCC1=O 62a_100009892977_100011215890 [0,0,0,1,0,0|2,0,0]=3 10238 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [0,0,0,1,0,0|2,0,0]=3 10239 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [0,0,0,1,0,0|2,0,0]=3 10240 B11R1.190 CCSCCSC1CCC1=O 62a_100000757381_100009892977 [0,0,0,1,0,0|2,0,0]=3 10241 B11R1.190 CCSCCSC1CCC1=O 62a_100009892977_100000757381 [0,0,0,1,0,0|2,0,0]=3 10242 B11R1.190 CNCCCOC1CCC1=O 34a_100000213112_100009892977 [0,0,0,1,0,0|2,0,0]=3 10243 B11R1.190 COCCCCN1CCC1C 269982a_100000755817_100000730899 [0,0,0,1,0,0|3,0,0]=4 10244 B11R1.190 COCCCCN1CCC1C 34a_100000755817_100000755781 [0,0,0,1,0,0|3,0,0]=4 10245 B11R1.190 COCCCNC1CCC1=O 34a_100150723488_100009892977 [0,0,0,1,0,0|2,0,0]=3 10246 B11R1.190 COCCCOC1CCC1=O 34a_100000740835_100009892977 [0,0,0,1,0,0|2,0,0]=3 10247 B11R1.190 COCCCSC1CCC1=O 62a_100000709357_100009892977 [0,0,0,1,0,0|2,0,0]=3 10248 B11R1.190 COCCCSC1CCC1=O 62a_100009892977_100000709357 [0,0,0,1,0,0|2,0,0]=3 10249 B11R1.190 COCSCCC1CCC1=O 62a_100000766300_200016118888 [0,0,0,1,0,0|2,0,0]=3 10250 B11R1.190 COCSCCC1CCC1=O 62a_200016118888_100000766300 [0,0,0,1,0,0|2,0,0]=3 10251 B11R1.190 CSCCCOC1CCC1=O 34a_100000690336_100009892977 [0,0,0,1,0,0|2,0,0]=3 10252 B11R1.190 CSCCCOC1CCC1=O 7a_100000690336_100009892977 [0,0,0,1,0,0|2,0,0]=3 10253 B11R1.190 CSCSCCC1CCC1=O 62a_100011218213_200016118888 [0,0,0,1,0,0|2,0,0]=3 10254 B11R1.190 CSCSCCC1CCC1=O 62a_200016118888_100011218213 [0,0,0,1,0,0|2,0,0]=3 10255 B11R1.190 N#CCCCSC1CCC1=O 62a_100000687738_100009892977 [0,0,0,1,0,0|2,0,1]=4 10256 B11R1.190 N#CCCCSC1CCC1=O 62a_100009892977_100000687738 [0,0,0,1,0,0|2,0,1]=4 10257 B11R1.190 N#CCSCCC1CCC1=O 62a_100011215382_200016118888 [0,0,0,1,0,0|2,0,1]=4 10258 B11R1.190 N#CCSCCC1CCC1=O 62a_200016118888_100011215382 [0,0,0,1,0,0|2,0,1]=4 10259 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [0,0,0,1,0,0|2,0,0]=3 10260 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [0,0,0,1,0,0|2,0,0]=3 10261 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [0,0,0,1,0,0|2,0,0]=3 10262 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [0,0,0,1,0,0|2,0,0]=3 10263 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,0,0,1,0,0|2,0,0]=3 10264 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,0,0,1,0,0|2,0,0]=3 10265 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [0,0,0,1,0,0|2,0,0]=3 10266 B11R1.190 O=C1CCC1OCCCCBr 34a_100011216708_100009892977 [0,0,0,1,0,0|2,0,0]=3 10267 B11R1.190 O=C1CCC1OCCCCCl 34a_100000210776_100009892977 [0,0,0,1,0,0|2,0,0]=3 10268 B11R1.190 O=C1CCC1OCCCCCl 7a_100000210776_100009892977 [0,0,0,1,0,0|2,0,0]=3 10269 B11R1.190 O=C1CCC1OCCCCF 34a_100011995726_100009892977 [0,0,0,1,0,0|2,0,0]=3 10270 B11R1.190 O=C1CCC1OCCCCF 7a_100011995726_100009892977 [0,0,0,1,0,0|2,0,0]=3 10271 B11R1.190 O=C1CCC1OCCCCI 34a_200012148704_100009892977 [0,0,0,1,0,0|2,0,0]=3 10272 B11R1.190 O=C1CCC1SCCCCF 62a_100000729493_100009892977 [0,0,0,1,0,0|2,0,0]=3 10273 B11R1.190 O=C1CCC1SCCCCF 62a_100009892977_100000729493 [0,0,0,1,0,0|2,0,0]=3 10274 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [0,0,0,1,0,0|2,0,0]=3 10275 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [0,0,0,1,0,0|2,0,0]=3 10276 B11R1.190 O=CCCCSC1CCC1=O 62a_100009892977_200011292268 [0,0,0,1,0,0|2,0,1]=4 10277 B11R1.190 O=CCCCSC1CCC1=O 62a_200011292268_100009892977 [0,0,0,1,0,0|2,0,1]=4 10278 B11R1.190 O=CCSCCC1CCC1=O 62a_200015260668_200016118888 [0,0,0,1,0,0|2,0,1]=4 10279 B11R1.190 O=CCSCCC1CCC1=O 62a_200016118888_200015260668 [0,0,0,1,0,0|2,0,1]=4 10280 B11R1.203 BrCCOC1CCCCCC1 34a_100000211926_100011217769 [0,0,0,1,0,0|2,0,1]=4 10281 B11R1.203 C#CCCN1CCCCCC1 2230a_100000185865_100000688953 [0,0,0,1,0,0|2,0,1]=4 10282 B11R1.203 C#CCCN1CCCCCC1 269982a_100000185865_100000730999 [0,0,0,1,0,0|2,0,1]=4 10283 B11R1.203 C#CCCN1CCCCCC1 34a_100000185865_100000688953 [0,0,0,1,0,0|2,0,1]=4 10284 B11R1.203 C#CCNC1CCCCCC1 2230a_100000210984_100000038162 [0,0,0,1,0,0|2,0,1]=4 10285 B11R1.203 C#CCNC1CCCCCC1 34a_100000210984_100000184674 [0,0,0,1,0,0|2,0,1]=4 10286 B11R1.203 C#CCNC1CCCCCC1 34a_100000212058_100011217769 [0,0,0,1,0,0|2,0,1]=4 10287 B11R1.203 C#CCOC1CCCCCC1 34a_100000210247_100011217769 [0,0,0,1,0,0|2,0,1]=4 10288 B11R1.203 C#CCOC1CCCCCC1 34a_100000210887_100000184674 [0,0,0,1,0,0|2,0,1]=4 10289 B11R1.203 C#CCOC1CCCCCC1 7a_100000210887_100000038162 [0,0,0,1,0,0|2,0,1]=4 10290 B11R1.203 C#CCSC1CCCCCC1 62a_100000038162_100011217769 [0,0,0,1,0,0|2,0,1]=4 10291 B11R1.203 C/C=C/CN1CCCCCC1 269982a_100000185865_100102629194 [0,0,0,1,0,0|2,0,1]=4 10292 B11R1.203 C/C=C/CN1CCCCCC1 34a_100000185865_100102629194 [0,0,0,1,0,0|2,0,1]=4 10293 B11R1.203 C=CCCN1CCCCCC1 2230a_100000185865_100000754431 [0,0,0,1,0,0|2,0,0]=3 10294 B11R1.203 C=CCCN1CCCCCC1 269982a_100000185865_100000754431 [0,0,0,1,0,0|2,0,0]=3 10295 B11R1.203 C=CCCN1CCCCCC1 34a_100000185865_100000754431 [0,0,0,1,0,0|2,0,0]=3 10296 B11R1.203 C=CCCN1CCCOCC1 2230a_100000685342_100000754431 [0,0,0,1,0,0|3,0,0]=4 10297 B11R1.203 C=CCCN1CCCOCC1 269982a_100000685342_100000754431 [0,0,0,1,0,0|3,0,0]=4 10298 B11R1.203 C=CCCN1CCCOCC1 34a_100000685342_100000754431 [0,0,0,1,0,0|3,0,0]=4 10299 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [0,0,0,1,0,0|2,0,0]=3 10300 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [0,0,0,1,0,0|2,0,0]=3 10301 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [0,0,0,1,0,0|2,0,0]=3 10302 B11R1.203 C=CCNC1CCCNCC1 270004a_100020586998_100015187895 [0,0,0,1,0,0|3,0,0]=4 10303 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [0,0,0,1,0,0|2,0,0]=3 10304 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [0,0,0,1,0,0|2,0,0]=3 10305 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [0,0,0,1,0,0|2,0,0]=3 10306 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [0,0,0,1,0,0|2,0,0]=3 10307 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [0,0,0,1,0,0|2,0,0]=3 10308 B11R1.203 CC=CCN1CCCCCC1 2230a_100000185865_100000070051 [0,0,0,1,0,0|2,0,1]=4 10309 B11R1.203 CC=CCN1CCCCCC1 34a_100000185865_100000070051 [0,0,0,1,0,0|2,0,1]=4 10310 B11R1.203 CCCCN1CCCCCC1 2230a_100000185865_100000210211 [0,0,0,1,0,0|2,0,1]=4 10311 B11R1.203 CCCCN1CCCCCC1 269982a_100000185865_100000210211 [0,0,0,1,0,0|2,0,1]=4 10312 B11R1.203 CCCCN1CCCCCC1 34a_100000185865_100000210210 [0,0,0,1,0,0|2,0,1]=4 10313 B11R1.203 CCCNC1CCCCCC1 2230a_100000210984_100000210303 [0,0,0,1,0,0|2,0,1]=4 10314 B11R1.203 CCCNC1CCCCCC1 270004a_100020643023_100000210131 [0,0,0,1,0,0|2,0,1]=4 10315 B11R1.203 CCCNC1CCCCCC1 34a_100000210984_100000210303 [0,0,0,1,0,0|2,0,1]=4 10316 B11R1.203 CCCOC1CCCCCC1 34a_100000210258_100011217769 [0,0,0,1,0,0|2,0,1]=4 10317 B11R1.203 CCCOC1CCCCCC1 34a_100000210887_100000210303 [0,0,0,1,0,0|2,0,1]=4 10318 B11R1.203 CCCOC1CCCCCC1 7a_100000210887_100000210303 [0,0,0,1,0,0|2,0,1]=4 10319 B11R1.203 CCCSC1CCCCCC1 62a_100000210303_100011217769 [0,0,0,1,0,0|2,0,1]=4 10320 B11R1.203 CCCSC1CCCCCC1 62a_100011217769_100000210303 [0,0,0,1,0,0|2,0,1]=4 10321 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [0,0,0,1,0,0|2,0,1]=4 10322 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [0,0,0,1,0,0|2,0,1]=4 10323 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [0,0,0,1,0,0|2,0,1]=4 10324 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [0,0,0,1,0,0|2,0,1]=4 10325 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [0,0,0,1,0,0|2,0,1]=4 10326 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [0,0,0,1,0,0|2,0,1]=4 10327 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [0,0,0,1,0,0|2,0,1]=4 10328 B11R1.203 CCSCC1CCCCCC1 62a_100000210202_200000696569 [0,0,0,1,0,0|2,0,1]=4 10329 B11R1.203 CCSCC1CCCCCC1 62a_200000696569_100000210202 [0,0,0,1,0,0|2,0,1]=4 10330 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [0,0,0,1,0,0|2,0,0]=3 10331 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [0,0,0,1,0,0|2,0,0]=3 10332 B11R1.203 CNCCN1CCCCCC1 7a_106832991635_100000722644 [0,0,0,1,0,0|3,0,0]=4 10333 B11R1.203 COCCN1CCCCCC1 2230a_100000185865_100011201679 [0,0,0,1,0,0|3,0,0]=4 10334 B11R1.203 COCCN1CCCCCC1 269982a_100000185865_100000233755 [0,0,0,1,0,0|3,0,0]=4 10335 B11R1.203 COCCN1CCCCCC1 34a_100000185865_100011201679 [0,0,0,1,0,0|3,0,0]=4 10336 B11R1.203 COCCN1CCCCCC1 34a_100000238007_200000210301 [0,0,0,1,0,0|3,0,0]=4 10337 B11R1.203 COCNC1CCCCCC1 2230a_100000210984_100000766300 [0,0,0,1,0,0|3,0,0]=4 10338 B11R1.203 COCSC1CCCCCC1 62a_100000766300_100011217769 [0,0,0,1,0,0|3,0,0]=4 10339 B11R1.203 COCSC1CCCCCC1 62a_100011217769_100000766300 [0,0,0,1,0,0|3,0,0]=4 10340 B11R1.203 CSCCN1CCCCCC1 2230a_100000185865_100000751147 [0,0,0,1,0,0|3,0,0]=4 10341 B11R1.203 CSCCN1CCCCCC1 269982a_100000185865_100000212216 [0,0,0,1,0,0|3,0,0]=4 10342 B11R1.203 CSCCN1CCCCCC1 34a_100000185865_100000212216 [0,0,0,1,0,0|3,0,0]=4 10343 B11R1.203 CSCCN1CCCCCC1 62a_100000722644_200000210301 [0,0,0,1,0,0|3,0,0]=4 10344 B11R1.203 CSCCN1CCCCCC1 62a_200000210301_100000722644 [0,0,0,1,0,0|3,0,0]=4 10345 B11R1.203 CSCNC1CCCCCC1 2230a_100000210984_100011218213 [0,0,0,1,0,0|3,0,0]=4 10346 B11R1.203 CSCNC1CCCCCC1 34a_100000210984_100011218213 [0,0,0,1,0,0|3,0,0]=4 10347 B11R1.203 CSCOC1CCCCCC1 34a_100000210887_100011218213 [0,0,0,1,0,0|3,0,0]=4 10348 B11R1.203 CSCSC1CCCCCC1 62a_100011217769_100011218213 [0,0,0,1,0,0|3,0,0]=4 10349 B11R1.203 CSCSC1CCCCCC1 62a_100011218213_100011217769 [0,0,0,1,0,0|3,0,0]=4 10350 B11R1.203 FCCCN1CCCCCC1 2230a_100000185865_100011934791 [0,0,0,1,0,0|2,0,1]=4 10351 B11R1.203 FCCCN1CCCCCC1 269982a_100000185865_100011934791 [0,0,0,1,0,0|2,0,1]=4 10352 B11R1.203 FCCCN1CCCCCC1 34a_100000185865_100011934791 [0,0,0,1,0,0|2,0,1]=4 10353 B11R1.203 FCCNC1CCCCCC1 2230a_100000210984_100011217306 [0,0,0,1,0,0|2,0,1]=4 10354 B11R1.203 FCCNC1CCCCCC1 34a_100000210984_100011217306 [0,0,0,1,0,0|2,0,1]=4 10355 B11R1.203 FCCNC1CCCCCC1 34a_100000724931_100011217769 [0,0,0,1,0,0|2,0,1]=4 10356 B11R1.203 FCCOC1CCCCCC1 34a_100000210887_100011217306 [0,0,0,1,0,0|2,0,1]=4 10357 B11R1.203 FCCOC1CCCCCC1 7a_100000210887_100011217306 [0,0,0,1,0,0|2,0,1]=4 10358 B11R1.203 FCCSC1CCCCCC1 62a_100011217306_100011217769 [0,0,0,1,0,0|2,0,1]=4 10359 B11R1.203 FCCSC1CCCCCC1 62a_100011217769_100011217306 [0,0,0,1,0,0|2,0,1]=4 10360 B11R1.203 FCNCC1CCCCCC1 34a_100015204231_100015361967 [0,0,0,1,0,0|2,0,1]=4 10361 B11R1.203 FCOCC1CCCCCC1 34a_100000699130_100015361967 [0,0,0,1,0,0|2,0,1]=4 10362 B11R1.203 FCOCC1CCCCCC1 7a_100000699130_100015361967 [0,0,0,1,0,0|2,0,1]=4 10363 B11R1.203 FCSCC1CCCCCC1 62a_100015361967_200000696569 [0,0,0,1,0,0|2,0,1]=4 10364 B11R1.203 FCSCC1CCCCCC1 62a_200000696569_100015361967 [0,0,0,1,0,0|2,0,1]=4 10365 B11R1.203 N#CCCN1CCCCCC1 2230a_100000185865_100011215226 [0,0,0,1,0,0|2,0,1]=4 10366 B11R1.203 N#CCCN1CCCCCC1 269982a_100000185865_100011215226 [0,0,0,1,0,0|2,0,1]=4 10367 B11R1.203 N#CCNC1CCCCCC1 2230a_100000210984_100011215382 [0,0,0,1,0,0|2,0,1]=4 10368 B11R1.203 N#CCOC1CCCCCC1 7a_100000210887_100011215382 [0,0,0,1,0,0|2,0,1]=4 10369 B11R1.203 N#CCSC1CCCCCC1 62a_100011215382_100011217769 [0,0,0,1,0,0|2,0,1]=4 10370 B11R1.203 N#CCSC1CCCCCC1 62a_100011217769_100011215382 [0,0,0,1,0,0|2,0,1]=4 10371 B11R1.203 NCCOC1CCCCCC1 34a_100000210304_100011217769 [0,0,0,1,0,0|2,0,1]=4 10372 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [0,0,0,1,0,0|1,0,0]=2 10373 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [0,0,0,1,0,0|1,0,0]=2 10374 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [0,0,0,1,0,0|1,0,0]=2 10375 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [0,0,0,1,0,0|1,0,0]=2 10376 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [0,0,0,1,0,0|1,0,0]=2 10377 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [0,0,0,1,0,0|1,0,0]=2 10378 B11R1.203 OCCCN1CCCCCC1 2230a_100000185865_100000230001 [0,0,0,1,0,0|1,0,2]=4 10379 B11R1.203 OCCCN1CCCCCC1 269982a_100000185865_100011215043 [0,0,0,1,0,0|1,0,2]=4 10380 B11R1.203 OCCCN1CCCCCC1 34a_100000185865_100000230001 [0,0,0,1,0,0|1,0,2]=4 10381 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [0,0,0,1,0,0|1,0,2]=4 10382 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [0,0,0,1,0,0|1,0,2]=4 10383 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [0,0,0,1,0,0|1,0,2]=4 10384 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [0,0,0,1,0,0|1,0,2]=4 10385 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [0,0,0,1,0,0|1,0,2]=4 10386 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [0,0,0,1,0,0|1,0,2]=4 10387 B11R1.203 OCCSC1CCCCCC1 62a_100000211926_100011217769 [0,0,0,1,0,0|1,0,2]=4 10388 B11R1.203 OCCSC1CCCCCC1 62a_100011217769_100000211926 [0,0,0,1,0,0|1,0,2]=4 10389 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [0,0,0,1,0,0|2,0,0]=3 10390 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [0,0,0,1,0,0|2,0,0]=3 10391 B11R1.203 [13CH3]OCCN1CCCCCC1 34a_100000238007_200025704644 [0,0,0,1,0,0|3,0,0]=4 10392 B11R1.203 [13CH3]SCCN1CCCCCC1 62a_100000722644_200025704644 [0,0,0,1,0,0|3,0,0]=4 10393 B11R1.203 [13CH3]SCCN1CCCCCC1 62a_200025704644_100000722644 [0,0,0,1,0,0|3,0,0]=4 10394 B11R1.232 C=CCCN1CCC1COC 2230a_100015195929_100000754431 [0,0,0,1,0,0|3,0,0]=4 10395 B11R1.232 C=CCCN1CCC1COC 269982a_100015195929_100000754431 [0,0,0,1,0,0|3,0,0]=4 10396 B11R1.232 C=CCCN1CCC1COC 34a_100015195929_100000754431 [0,0,0,1,0,0|3,0,0]=4 10397 B11R1.232 CCCCN1CCC1COC 2230a_100015195929_100000210211 [0,0,0,1,0,0|3,0,0]=4 10398 B11R1.232 CCCCN1CCC1COC 269982a_100015195929_100000210211 [0,0,0,1,0,0|3,0,0]=4 10399 B11R1.232 CCCCN1CCC1COC 34a_100015195929_100000210210 [0,0,0,1,0,0|3,0,0]=4 10400 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [0,0,0,1,0,0|2,0,1]=4 10401 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [0,0,0,1,0,0|2,0,1]=4 10402 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [0,0,0,1,0,0|2,0,1]=4 10403 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [0,0,0,1,0,0|2,0,0]=3 10404 B11R1.248 FCN1CCCCCCCC1 269982a_100000039187_100015361967 [0,0,0,1,0,0|2,0,1]=4 10405 B11R1.248 FCN1CCCCCCCC1 34a_100000039187_100015361967 [0,0,0,1,0,0|2,0,1]=4 10406 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 10407 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [2,0,0,0,0,0|1,0,1]=4 10408 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 10409 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [2,0,0,0,0,0|1,0,1]=4 10410 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [2,0,0,0,0,0|1,0,1]=4 10411 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [2,0,0,0,0,0|1,0,1]=4 10412 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [2,0,0,0,0,0|1,0,1]=4 10413 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [2,0,0,0,0,0|1,0,1]=4 10414 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [2,0,0,0,0,0|1,0,1]=4 10415 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [2,0,0,0,0,0|1,0,1]=4 10416 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [2,0,0,0,0,0|1,0,1]=4 10417 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [2,0,0,0,0,0|1,0,1]=4 10418 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 10419 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [2,0,0,0,0,0|1,0,1]=4 10420 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 10421 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 10422 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [2,0,0,0,0,0|1,0,1]=4 10423 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 10424 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [2,0,0,0,0,0|1,0,1]=4 10425 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [2,0,0,0,0,0|1,0,1]=4 10426 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 10427 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 10428 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [2,0,0,0,0,0|1,0,1]=4 10429 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 10430 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 10431 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [2,0,0,0,0,0|1,0,1]=4 10432 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [2,0,0,0,0,0|1,0,1]=4 10433 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [2,0,0,0,0,0|1,0,1]=4 10434 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [2,0,0,0,0,0|1,0,1]=4 10435 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [2,0,0,0,0,0|1,0,1]=4 10436 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 10437 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [2,0,0,0,0,0|1,0,1]=4 10438 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 10439 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [2,0,0,0,0,0|1,0,1]=4 10440 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [2,0,0,0,0,0|1,0,1]=4 10441 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [2,0,0,0,0,0|1,0,1]=4 10442 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [2,0,0,0,0,0|1,0,1]=4 10443 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 10444 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [2,0,0,0,0,0|1,0,1]=4 10445 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 10446 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [2,0,0,0,0,0|1,0,1]=4 10447 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [2,0,0,0,0,0|1,0,1]=4 10448 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,0]=3 10449 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,0]=3 10450 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,0]=3 10451 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,0]=3 10452 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,0]=3 10453 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|1,0,0]=3 10454 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|1,0,0]=3 10455 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|1,0,0]=3 10456 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|1,0,0]=3 10457 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|1,0,0]=3 10458 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|1,0,0]=3 10459 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|1,0,0]=3 10460 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|1,0,0]=3 10461 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|1,0,0]=3 10462 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|1,0,0]=3 10463 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|1,0,0]=3 10464 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|1,0,0]=3 10465 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|1,0,0]=3 10466 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|1,0,0]=3 10467 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 10468 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 10469 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|1,0,0]=3 10470 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|1,0,0]=3 10471 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [2,0,0,0,0,0|2,0,0]=4 10472 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [2,0,0,0,0,0|2,0,0]=4 10473 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|1,0,0]=3 10474 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|1,0,0]=3 10475 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [2,0,0,0,0,0|2,0,0]=4 10476 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [2,0,0,0,0,0|2,0,0]=4 10477 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [2,0,0,0,0,0|1,0,1]=4 10478 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [2,0,0,0,0,0|1,0,1]=4 10479 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [2,0,0,0,0,0|1,0,1]=4 10480 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [2,0,0,0,0,0|2,0,0]=4 10481 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [2,0,0,0,0,0|2,0,0]=4 10482 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|1,0,0]=3 10483 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|1,0,0]=3 10484 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [2,0,0,0,0,0|2,0,0]=4 10485 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|1,0,0]=3 10486 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|1,0,0]=3 10487 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|1,0,0]=3 10488 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 10489 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 10490 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [2,0,0,0,0,0|2,0,0]=4 10491 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [2,0,0,0,0,0|1,0,1]=4 10492 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [2,0,0,0,0,0|1,0,1]=4 10493 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [2,0,0,0,0,0|2,0,0]=4 10494 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|1,0,0]=3 10495 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|1,0,0]=3 10496 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|1,0,0]=3 10497 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|1,0,0]=3 10498 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [2,0,0,0,0,0|2,0,0]=4 10499 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [2,0,0,0,0,0|2,0,0]=4 10500 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [2,0,0,0,0,0|1,0,1]=4 10501 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [2,0,0,0,0,0|1,0,1]=4 10502 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [2,0,0,0,0,0|2,0,0]=4 10503 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [2,0,0,0,0,0|2,0,0]=4 10504 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [2,0,0,0,0,0|2,0,0]=4 10505 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [2,0,0,0,0,0|2,0,0]=4 10506 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|1,0,0]=3 10507 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|1,0,0]=3 10508 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [2,0,0,0,0,0|2,0,0]=4 10509 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [2,0,0,0,0,0|2,0,0]=4 10510 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [2,0,0,0,0,0|2,0,0]=4 10511 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [2,0,0,0,0,0|2,0,0]=4 10512 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [2,0,0,0,0,0|1,0,1]=4 10513 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [2,0,0,0,0,0|1,0,1]=4 10514 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [2,0,0,0,0,0|2,0,0]=4 10515 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [2,0,0,0,0,0|2,0,0]=4 10516 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [2,0,0,0,0,0|2,0,0]=4 10517 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [2,0,0,0,0,0|2,0,0]=4 10518 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [2,0,0,0,0,0|2,0,0]=4 10519 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [2,0,0,0,0,0|2,0,0]=4 10520 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [2,0,0,0,0,0|2,0,0]=4 10521 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|1,0,0]=3 10522 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|1,0,0]=3 10523 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [2,0,0,0,0,0|2,0,0]=4 10524 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 10525 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [2,0,0,0,0,0|2,0,0]=4 10526 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 10527 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [2,0,0,0,0,0|2,0,0]=4 10528 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [2,0,0,0,0,0|1,0,1]=4 10529 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [2,0,0,0,0,0|1,0,1]=4 10530 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 10531 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [2,0,0,0,0,0|2,0,0]=4 10532 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 10533 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [2,0,0,0,0,0|2,0,0]=4 10534 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [2,0,0,0,0,0|2,0,0]=4 10535 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [2,0,0,0,0,0|2,0,0]=4 10536 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [2,0,0,0,0,0|2,0,0]=4 10537 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [2,0,0,0,0,0|2,0,0]=4 10538 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [2,0,0,0,0,0|2,0,0]=4 10539 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [2,0,0,0,0,0|2,0,0]=4 10540 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [2,0,0,0,0,0|2,0,0]=4 10541 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [2,0,0,0,0,0|2,0,0]=4 10542 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [2,0,0,0,0,0|2,0,0]=4 10543 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [2,0,0,0,0,0|2,0,0]=4 10544 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [2,0,0,0,0,0|2,0,0]=4 10545 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [2,0,0,0,0,0|2,0,0]=4 10546 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [2,0,0,0,0,0|2,0,0]=4 10547 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [2,0,0,0,0,0|2,0,0]=4 10548 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [2,0,0,0,0,0|2,0,0]=4 10549 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [2,0,0,0,0,0|2,0,0]=4 10550 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [2,0,0,0,0,0|2,0,0]=4 10551 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [2,0,0,0,0,0|2,0,0]=4 10552 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [2,0,0,0,0,0|2,0,0]=4 10553 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|1,0,0]=3 10554 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [2,0,0,0,0,0|2,0,0]=4 10555 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [2,0,0,0,0,0|2,0,0]=4 10556 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [2,0,0,0,0,0|1,0,1]=4 10557 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [2,0,0,0,0,0|1,0,1]=4 10558 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [2,0,0,0,0,0|2,0,0]=4 10559 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [2,0,0,0,0,0|2,0,0]=4 10560 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [2,0,0,0,0,0|2,0,0]=4 10561 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [2,0,0,0,0,0|2,0,0]=4 10562 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [2,0,0,0,0,0|2,0,0]=4 10563 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [2,0,0,0,0,0|2,0,0]=4 10564 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [2,0,0,0,0,0|2,0,0]=4 10565 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [2,0,0,0,0,0|2,0,0]=4 10566 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [2,0,0,0,0,0|2,0,0]=4 10567 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [2,0,0,0,0,0|2,0,0]=4 10568 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [2,0,0,0,0,0|2,0,0]=4 10569 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [2,0,0,0,0,0|2,0,0]=4 10570 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [2,0,0,0,0,0|1,0,1]=4 10571 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [2,0,0,0,0,0|1,0,1]=4 10572 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [2,0,0,0,0,0|2,0,0]=4 10573 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [2,0,0,0,0,0|2,0,0]=4 10574 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [2,0,0,0,0,0|2,0,0]=4 10575 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [2,0,0,0,0,0|2,0,0]=4 10576 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [2,0,0,0,0,0|2,0,0]=4 10577 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [2,0,0,0,0,0|2,0,0]=4 10578 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 10579 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 10580 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [2,0,0,0,0,0|2,0,0]=4 10581 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 10582 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 10583 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [2,0,0,0,0,0|2,0,0]=4 10584 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 10585 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [2,0,0,0,0,0|1,0,1]=4 10586 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 10587 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [2,0,0,0,0,0|2,0,0]=4 10588 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 10589 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 10590 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 10591 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [2,0,0,0,0,0|2,0,0]=4 10592 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [2,0,0,0,0,0|2,0,0]=4 10593 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [2,0,0,0,0,0|2,0,0]=4 10594 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [2,0,0,0,0,0|2,0,0]=4 10595 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [2,0,0,0,0,0|2,0,0]=4 10596 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [2,0,0,0,0,0|2,0,0]=4 10597 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [2,0,0,0,0,0|2,0,0]=4 10598 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [2,0,0,0,0,0|2,0,0]=4 10599 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [2,0,0,0,0,0|2,0,0]=4 10600 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [2,0,0,0,0,0|2,0,0]=4 10601 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [2,0,0,0,0,0|2,0,0]=4 10602 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [2,0,0,0,0,0|2,0,0]=4 10603 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [2,0,0,0,0,0|2,0,0]=4 10604 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [2,0,0,0,0,0|2,0,0]=4 10605 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [2,0,0,0,0,0|2,0,0]=4 10606 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [2,0,0,0,0,0|2,0,0]=4 10607 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [2,0,0,0,0,0|2,0,0]=4 10608 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [2,0,0,0,0,0|2,0,0]=4 10609 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [2,0,0,0,0,0|1,0,0]=3 10610 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [2,0,0,0,0,0|1,0,0]=3 10611 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [2,0,0,0,0,0|2,0,0]=4 10612 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [2,0,0,0,0,0|2,0,0]=4 10613 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [2,0,0,0,0,0|1,0,1]=4 10614 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [2,0,0,0,0,0|1,0,1]=4 10615 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [2,0,0,0,0,0|2,0,0]=4 10616 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [2,0,0,0,0,0|2,0,0]=4 10617 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [2,0,0,0,0,0|2,0,0]=4 10618 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [2,0,0,0,0,0|2,0,0]=4 10619 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [2,0,0,0,0,0|2,0,0]=4 10620 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [2,0,0,0,0,0|2,0,0]=4 10621 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [2,0,0,0,0,0|2,0,0]=4 10622 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [2,0,0,0,0,0|2,0,0]=4 10623 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [2,0,0,0,0,0|2,0,0]=4 10624 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [2,0,0,0,0,0|1,0,0]=3 10625 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [2,0,0,0,0,0|2,0,0]=4 10626 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [2,0,0,0,0,0|1,0,1]=4 10627 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [2,0,0,0,0,0|1,0,1]=4 10628 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,1]=4 10629 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [2,0,0,0,0,0|2,0,0]=4 10630 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [2,0,0,0,0,0|2,0,0]=4 10631 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [2,0,0,0,0,0|2,0,0]=4 10632 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [2,0,0,0,0,0|2,0,0]=4 10633 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 10634 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 10635 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 10636 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 10637 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [2,0,0,0,0,0|2,0,0]=4 10638 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 10639 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 10640 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [2,0,0,0,0,0|2,0,0]=4 10641 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|1,0,1]=4 10642 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [2,0,0,0,0,0|2,0,0]=4 10643 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [2,0,0,0,0,0|2,0,0]=4 10644 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [2,0,0,0,0,0|2,0,0]=4 10645 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [2,0,0,0,0,0|2,0,0]=4 10646 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [2,0,0,0,0,0|2,0,0]=4 10647 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [2,0,0,0,0,0|2,0,0]=4 10648 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [2,0,0,0,0,0|2,0,0]=4 10649 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [2,0,0,0,0,0|2,0,0]=4 10650 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [2,0,0,0,0,0|2,0,0]=4 10651 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [2,0,0,0,0,0|2,0,0]=4 10652 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [2,0,0,0,0,0|2,0,0]=4 10653 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [2,0,0,0,0,0|2,0,0]=4 10654 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [2,0,0,0,0,0|2,0,0]=4 10655 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [2,0,0,0,0,0|2,0,0]=4 10656 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [2,0,0,0,0,0|2,0,0]=4 10657 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [2,0,0,0,0,0|2,0,0]=4 10658 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [2,0,0,0,0,0|2,0,0]=4 10659 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [2,0,0,0,0,0|1,0,0]=3 10660 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [2,0,0,0,0,0|1,0,0]=3 10661 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [2,0,0,0,0,0|2,0,0]=4 10662 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [2,0,0,0,0,0|2,0,0]=4 10663 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [2,0,0,0,0,0|1,0,1]=4 10664 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [2,0,0,0,0,0|1,0,1]=4 10665 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [2,0,0,0,0,0|2,0,0]=4 10666 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [2,0,0,0,0,0|2,0,0]=4 10667 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [2,0,0,0,0,0|2,0,0]=4 10668 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [2,0,0,0,0,0|2,0,0]=4 10669 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [2,0,0,0,0,0|2,0,0]=4 10670 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [2,0,0,0,0,0|2,0,0]=4 10671 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [2,0,0,0,0,0|2,0,0]=4 10672 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|1,0,0]=3 10673 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|1,0,0]=3 10674 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 10675 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [2,0,0,0,0,0|2,0,0]=4 10676 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 10677 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [2,0,0,0,0,0|1,0,1]=4 10678 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [2,0,0,0,0,0|1,0,1]=4 10679 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [2,0,0,0,0,0|1,0,1]=4 10680 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [2,0,0,0,0,0|1,0,1]=4 10681 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [2,0,0,0,0,0|1,0,1]=4 10682 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [2,0,0,0,0,0|2,0,0]=4 10683 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [2,0,0,0,0,0|2,0,0]=4 10684 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [2,0,0,0,0,0|2,0,0]=4 10685 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [2,0,0,0,0,0|2,0,0]=4 10686 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [2,0,0,0,0,0|2,0,0]=4 10687 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [2,0,0,0,0,0|2,0,0]=4 10688 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [2,0,0,0,0,0|2,0,0]=4 10689 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 10690 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 10691 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [2,0,0,0,0,0|2,0,0]=4 10692 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [2,0,0,0,0,0|2,0,0]=4 10693 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [2,0,0,0,0,0|2,0,0]=4 10694 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [2,0,0,0,0,0|2,0,0]=4 10695 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|1,0,1]=4 10696 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [2,0,0,0,0,0|2,0,0]=4 10697 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [2,0,0,0,0,0|2,0,0]=4 10698 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [2,0,0,0,0,0|2,0,0]=4 10699 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [2,0,0,0,0,0|2,0,0]=4 10700 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [2,0,0,0,0,0|2,0,0]=4 10701 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [2,0,0,0,0,0|2,0,0]=4 10702 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [2,0,0,0,0,0|2,0,0]=4 10703 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [2,0,0,0,0,0|2,0,0]=4 10704 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|1,0,0]=3 10705 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|1,0,0]=3 10706 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [2,0,0,0,0,0|2,0,0]=4 10707 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [2,0,0,0,0,0|2,0,0]=4 10708 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [2,0,0,0,0,0|1,0,1]=4 10709 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [2,0,0,0,0,0|1,0,1]=4 10710 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [2,0,0,0,0,0|2,0,0]=4 10711 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [2,0,0,0,0,0|2,0,0]=4 10712 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [2,0,0,0,0,0|2,0,0]=4 10713 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [2,0,0,0,0,0|2,0,0]=4 10714 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [2,0,0,0,0,0|2,0,0]=4 10715 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [2,0,0,0,0,0|2,0,0]=4 10716 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [2,0,0,0,0,0|2,0,0]=4 10717 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [2,0,0,0,0,0|2,0,0]=4 10718 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [2,0,0,0,0,0|2,0,0]=4 10719 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [2,0,0,0,0,0|2,0,0]=4 10720 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [2,0,0,0,0,0|2,0,0]=4 10721 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [2,0,0,0,0,0|2,0,0]=4 10722 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [2,0,0,0,0,0|2,0,0]=4 10723 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [2,0,0,0,0,0|2,0,0]=4 10724 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [2,0,0,0,0,0|2,0,0]=4 10725 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [2,0,0,0,0,0|2,0,0]=4 10726 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [2,0,0,0,0,0|2,0,0]=4 10727 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [2,0,0,0,0,0|2,0,0]=4 10728 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [2,0,0,0,0,0|2,0,0]=4 10729 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [2,0,0,0,0,0|2,0,0]=4 10730 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [2,0,0,0,0,0|2,0,0]=4 10731 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [2,0,0,0,0,0|2,0,0]=4 10732 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [2,0,0,0,0,0|2,0,0]=4 10733 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [2,0,0,0,0,0|2,0,0]=4 10734 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [2,0,0,0,0,0|2,0,0]=4 10735 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [2,0,0,0,0,0|1,0,1]=4 10736 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [2,0,0,0,0,0|1,0,1]=4 10737 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [2,0,0,0,0,0|2,0,0]=4 10738 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [2,0,0,0,0,0|2,0,0]=4 10739 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 10740 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 10741 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [2,0,0,0,0,0|2,0,0]=4 10742 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [2,0,0,0,0,0|2,0,0]=4 10743 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [2,0,0,0,0,0|2,0,0]=4 10744 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|1,0,0]=3 10745 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|1,0,0]=3 10746 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [2,0,0,0,0,0|2,0,0]=4 10747 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [2,0,0,0,0,0|2,0,0]=4 10748 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [2,0,0,0,0,0|1,0,1]=4 10749 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [2,0,0,0,0,0|1,0,1]=4 10750 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [1,1,0,0,0,0|0,0,2]=4 10751 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [1,1,0,0,0,0|0,0,2]=4 10752 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [1,1,0,0,0,0|1,0,1]=4 10753 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [1,1,0,0,0,0|1,0,1]=4 10754 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [1,1,0,0,0,0|0,0,2]=4 10755 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [1,1,0,0,0,0|0,0,2]=4 10756 B10R0.1 C=CCCCCN(C)CCC 2230a_100000747261_100011215482 [1,1,0,0,0,0|1,0,1]=4 10757 B10R0.1 C=CCCCCN(C)CCC 2230a_100012000471_100000210303 [1,1,0,0,0,0|1,0,1]=4 10758 B10R0.1 C=CCCCCN(C)CCC 269982a_100000747261_100011215482 [1,1,0,0,0,0|1,0,1]=4 10759 B10R0.1 C=CCCCCN(C)CCC 269982a_100012000471_100000210303 [1,1,0,0,0,0|1,0,1]=4 10760 B10R0.1 C=CCCCNC(C)CCC 2230a_100000700776_100000766640 [1,1,0,0,0,0|1,0,1]=4 10761 B10R0.1 C=CCCCNC(C)CCC 2230a_100000741246_100011713584 [1,1,0,0,0,0|1,0,1]=4 10762 B10R0.1 C=CCCCNC(C)CCC 270004a_100000700776_100000211909 [1,1,0,0,0,0|1,0,1]=4 10763 B10R0.1 C=CCCCNC(C)CCC 34a_100000700776_100000766640 [1,1,0,0,0,0|1,0,1]=4 10764 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [1,1,0,0,0,0|1,0,1]=4 10765 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [1,1,0,0,0,0|1,0,1]=4 10766 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [1,1,0,0,0,0|1,0,1]=4 10767 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [1,1,0,0,0,0|1,0,1]=4 10768 B10R0.1 C=CCCCSC(C)CCC 62a_100000766640_100000757094 [1,1,0,0,0,0|1,0,1]=4 10769 B10R0.1 C=CCCCSC(C)CCC 62a_100011713584_100000766640 [1,1,0,0,0,0|1,0,1]=4 10770 B10R0.1 C=CCCNCC(C)CCC 2230a_100015191253_100011216630 [1,1,0,0,0,0|1,0,1]=4 10771 B10R0.1 C=CCCNCC(C)CCC 270004a_100015191253_100000243154 [1,1,0,0,0,0|1,0,1]=4 10772 B10R0.1 C=CCCOCC(C)CCC 34a_100000688023_100000754431 [1,1,0,0,0,0|1,0,1]=4 10773 B10R0.1 C=CCCOCC(C)CCC 34a_100011205117_100011216630 [1,1,0,0,0,0|1,0,1]=4 10774 B10R0.1 C=CCCOCC(C)CCC 7a_100000688023_100000754431 [1,1,0,0,0,0|1,0,1]=4 10775 B10R0.1 C=CCCOC[C@@H](N)CCC 34a_100000732646_100000754431 [1,1,0,0,0,0|1,0,1]=4 10776 B10R0.1 C=CCCSCC(C)CCC 62a_100000754431_100011216630 [1,1,0,0,0,0|1,0,1]=4 10777 B10R0.1 C=CCCSCC(C)CCC 62a_100011216630_100000754431 [1,1,0,0,0,0|1,0,1]=4 10778 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [1,1,0,0,0,0|1,0,1]=4 10779 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [1,1,0,0,0,0|1,0,1]=4 10780 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [1,1,0,0,0,0|1,0,1]=4 10781 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [1,1,0,0,0,0|1,0,1]=4 10782 B10R0.1 C=CCOCCC(C)CCC 34a_100011217855_100015514636 [1,1,0,0,0,0|1,0,1]=4 10783 B10R0.1 C=CCOCCC(C)CCC 7a_100011217855_100015514636 [1,1,0,0,0,0|1,0,1]=4 10784 B10R0.1 C=CCOCC[C@@H](N)CCC 34a_100015193777_100015514636 [1,1,0,0,0,0|1,0,1]=4 10785 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [1,1,0,0,0,0|1,0,1]=4 10786 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [1,1,0,0,0,0|1,0,1]=4 10787 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [1,1,0,0,0,0|1,0,1]=4 10788 B10R0.1 CC(CCO)SCCCC=O 62a_100009893172_200011292268 [1,1,0,0,0,0|2,0,0]=4 10789 B10R0.1 CC(CCO)SCCCC=O 62a_200011292268_100009893172 [1,1,0,0,0,0|2,0,0]=4 10790 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,1,0,0,0,0|1,0,1]=4 10791 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,1,0,0,0,0|0,0,2]=4 10792 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,1,0,0,0,0|0,0,2]=4 10793 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [1,1,0,0,0,0|1,0,1]=4 10794 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [1,1,0,0,0,0|1,0,1]=4 10795 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [1,1,0,0,0,0|2,0,0]=4 10796 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [1,1,0,0,0,0|2,0,0]=4 10797 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [1,1,0,0,0,0|1,0,0]=3 10798 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [1,1,0,0,0,0|1,0,0]=3 10799 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [1,1,0,0,0,0|2,0,0]=4 10800 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [1,1,0,0,0,0|2,0,0]=4 10801 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [1,1,0,0,0,0|1,0,1]=4 10802 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [1,1,0,0,0,0|1,0,1]=4 10803 B10R0.1 CCCC(C)CNCCCF 2230a_100015189416_100011216630 [1,1,0,0,0,0|2,0,0]=4 10804 B10R0.1 CCCC(C)CNCCCF 270004a_100015189416_100000243154 [1,1,0,0,0,0|2,0,0]=4 10805 B10R0.1 CCCC(C)CNCCCF 34a_100015189416_100011216630 [1,1,0,0,0,0|2,0,0]=4 10806 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [1,1,0,0,0,0|1,0,1]=4 10807 B10R0.1 CCCC(C)COCCCBr 34a_100011217188_100011216630 [1,1,0,0,0,0|2,0,0]=4 10808 B10R0.1 CCCC(C)COCCCCl 34a_100000230001_100011216630 [1,1,0,0,0,0|2,0,0]=4 10809 B10R0.1 CCCC(C)COCCCF 34a_100000688023_100011934791 [1,1,0,0,0,0|2,0,0]=4 10810 B10R0.1 CCCC(C)COCCCF 34a_100000759539_100011216630 [1,1,0,0,0,0|2,0,0]=4 10811 B10R0.1 CCCC(C)COCCCF 7a_100000688023_100011934791 [1,1,0,0,0,0|2,0,0]=4 10812 B10R0.1 CCCC(C)COCCCN 34a_100000182051_100011216630 [1,1,0,0,0,0|2,0,0]=4 10813 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [1,1,0,0,0,0|1,0,1]=4 10814 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [1,1,0,0,0,0|1,0,1]=4 10815 B10R0.1 CCCC(C)CSCCCF 62a_100011216630_100011934791 [1,1,0,0,0,0|2,0,0]=4 10816 B10R0.1 CCCC(C)CSCCCF 62a_100011934791_100011216630 [1,1,0,0,0,0|2,0,0]=4 10817 B10R0.1 CCCC(C)CSCCCO 62a_100011215043_100011216630 [1,1,0,0,0,0|1,0,1]=4 10818 B10R0.1 CCCC(C)CSCCCO 62a_100011216630_100011215043 [1,1,0,0,0,0|1,0,1]=4 10819 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [1,1,0,0,0,0|1,0,0]=3 10820 B10R0.1 CCCC(C)NCCCCF 2230a_100000741246_100000729493 [1,1,0,0,0,0|2,0,0]=4 10821 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [1,1,0,0,0,0|1,0,1]=4 10822 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [1,1,0,0,0,0|1,0,1]=4 10823 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [1,1,0,0,0,0|1,0,1]=4 10824 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [1,1,0,0,0,0|1,0,1]=4 10825 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [1,1,0,0,0,0|1,0,0]=3 10826 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [1,1,0,0,0,0|2,0,0]=4 10827 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [1,1,0,0,0,0|2,0,0]=4 10828 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [1,1,0,0,0,0|2,0,0]=4 10829 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [1,1,0,0,0,0|2,0,0]=4 10830 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [1,1,0,0,0,0|2,0,0]=4 10831 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [1,1,0,0,0,0|2,0,0]=4 10832 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [1,1,0,0,0,0|2,0,0]=4 10833 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [1,1,0,0,0,0|2,0,0]=4 10834 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [1,1,0,0,0,0|2,0,0]=4 10835 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [1,1,0,0,0,0|1,0,1]=4 10836 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [1,1,0,0,0,0|1,0,1]=4 10837 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [1,1,0,0,0,0|1,0,0]=3 10838 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [1,1,0,0,0,0|1,0,0]=3 10839 B10R0.1 CCCC(C)SCCCCF 62a_100000729493_100000766640 [1,1,0,0,0,0|2,0,0]=4 10840 B10R0.1 CCCC(C)SCCCCF 62a_100000766640_100000729493 [1,1,0,0,0,0|2,0,0]=4 10841 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [1,1,0,0,0,0|1,0,1]=4 10842 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [1,1,0,0,0,0|1,0,1]=4 10843 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,1,0,0,0,0|0,0,2]=4 10844 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,1,0,0,0,0|0,0,2]=4 10845 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,1,0,0,0,0|1,0,1]=4 10846 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,1,0,0,0,0|0,0,2]=4 10847 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,1,0,0,0,0|0,0,2]=4 10848 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [1,1,0,0,0,0|1,0,1]=4 10849 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [1,1,0,0,0,0|1,0,1]=4 10850 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [1,1,0,0,0,0|1,0,1]=4 10851 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [1,1,0,0,0,0|1,0,1]=4 10852 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [1,1,0,0,0,0|2,0,0]=4 10853 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [1,1,0,0,0,0|1,0,1]=4 10854 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [1,1,0,0,0,0|1,0,1]=4 10855 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [1,1,0,0,0,0|1,0,1]=4 10856 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [1,1,0,0,0,0|2,0,0]=4 10857 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [1,1,0,0,0,0|2,0,0]=4 10858 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [1,1,0,0,0,0|1,0,1]=4 10859 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [1,1,0,0,0,0|1,0,1]=4 10860 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [1,1,0,0,0,0|2,0,0]=4 10861 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [1,1,0,0,0,0|2,0,0]=4 10862 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [1,1,0,0,0,0|1,0,0]=3 10863 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [1,1,0,0,0,0|1,0,0]=3 10864 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [1,1,0,0,0,0|1,0,1]=4 10865 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [1,1,0,0,0,0|1,0,1]=4 10866 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [1,1,0,0,0,0|1,0,1]=4 10867 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [1,1,0,0,0,0|1,0,1]=4 10868 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [1,1,0,0,0,0|2,0,0]=4 10869 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [1,1,0,0,0,0|2,0,0]=4 10870 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [1,1,0,0,0,0|1,0,1]=4 10871 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [1,1,0,0,0,0|1,0,1]=4 10872 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [1,1,0,0,0,0|1,0,1]=4 10873 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [1,1,0,0,0,0|1,0,1]=4 10874 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [1,1,0,0,0,0|1,0,1]=4 10875 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [1,1,0,0,0,0|1,0,1]=4 10876 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [1,1,0,0,0,0|1,0,1]=4 10877 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [1,1,0,0,0,0|1,0,1]=4 10878 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [1,1,0,0,0,0|1,0,1]=4 10879 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [1,1,0,0,0,0|1,0,1]=4 10880 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [1,1,0,0,0,0|2,0,0]=4 10881 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [1,1,0,0,0,0|1,0,1]=4 10882 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [1,1,0,0,0,0|1,0,1]=4 10883 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [1,1,0,0,0,0|1,0,1]=4 10884 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [1,1,0,0,0,0|1,0,1]=4 10885 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [1,1,0,0,0,0|1,0,1]=4 10886 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [1,1,0,0,0,0|1,0,1]=4 10887 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [1,1,0,0,0,0|1,0,1]=4 10888 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [1,1,0,0,0,0|1,0,1]=4 10889 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [1,1,0,0,0,0|1,0,1]=4 10890 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [1,1,0,0,0,0|1,0,1]=4 10891 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [1,1,0,0,0,0|1,0,1]=4 10892 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [1,1,0,0,0,0|1,0,1]=4 10893 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [1,1,0,0,0,0|1,0,1]=4 10894 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [1,1,0,0,0,0|1,0,1]=4 10895 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [1,1,0,0,0,0|1,0,1]=4 10896 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [1,1,0,0,0,0|1,0,1]=4 10897 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [1,1,0,0,0,0|1,0,1]=4 10898 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [1,1,0,0,0,0|2,0,0]=4 10899 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [1,1,0,0,0,0|1,0,1]=4 10900 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [1,1,0,0,0,0|1,0,1]=4 10901 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [1,1,0,0,0,0|1,0,1]=4 10902 B10R0.1 CCCN(C)CCCCC=O 2230a_100000747261_100000139335 [1,1,0,0,0,0|1,0,0]=3 10903 B10R0.1 CCCN(C)CCCCC=O 269982a_100000747261_100000139335 [1,1,0,0,0,0|1,0,0]=3 10904 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [1,1,0,0,0,0|2,0,0]=4 10905 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [1,1,0,0,0,0|2,0,0]=4 10906 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [1,1,0,0,0,0|1,0,1]=4 10907 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [1,1,0,0,0,0|1,0,1]=4 10908 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [1,1,0,0,0,0|1,0,1]=4 10909 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [1,1,0,0,0,0|1,0,1]=4 10910 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [1,1,0,0,0,0|1,0,1]=4 10911 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [1,1,0,0,0,0|1,0,1]=4 10912 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [1,1,0,0,0,0|1,0,1]=4 10913 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [1,1,0,0,0,0|1,0,0]=3 10914 B10R0.1 CCC[C@H](N)CCOCCF 34a_100015193777_100011217306 [1,1,0,0,0,0|2,0,0]=4 10915 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [1,1,0,0,0,0|1,0,1]=4 10916 B10R0.1 CCC[C@H](N)COCCCF 34a_100000732646_100011934791 [1,1,0,0,0,0|2,0,0]=4 10917 B10R0.1 CCC[C@H](N)COCCCO 34a_100000732646_100000230001 [1,1,0,0,0,0|1,0,1]=4 10918 B10R0.1 CN(CC=O)CCCCCO 2230a_100000722520_200015260668 [1,1,0,0,0,0|2,0,0]=4 10919 B10R0.1 CN(CC=O)CCCCCO 269982a_100000722520_200015260668 [1,1,0,0,0,0|2,0,0]=4 10920 B10R0.1 CN(CCO)CCCCC=O 2230a_100000210263_100000139335 [1,1,0,0,0,0|2,0,0]=4 10921 B10R0.1 CN(CCO)CCCCC=O 269982a_100000210263_100000139335 [1,1,0,0,0,0|2,0,0]=4 10922 B10R0.1 COCC(C)SCCCC=O 62a_100000765312_200011292268 [1,1,0,0,0,0|2,0,0]=4 10923 B10R0.1 COCC(C)SCCCC=O 62a_200011292268_100000765312 [1,1,0,0,0,0|2,0,0]=4 10924 B10R0.1 COC[C@@H](C)NCCCC=O 2230a_100000764878_200011292268 [1,1,0,0,0,0|2,0,0]=4 10925 B10R0.1 C[C@H](CCO)NCCCC=O 2230a_100000706166_200011292268 [1,1,0,0,0,0|2,0,0]=4 10926 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [1,1,0,0,0,0|0,0,2]=4 10927 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [1,1,0,0,0,0|0,0,2]=4 10928 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [1,1,0,0,0,0|0,0,2]=4 10929 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [1,1,0,0,0,0|1,0,1]=4 10930 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,1,0,0,0,0|1,0,1]=4 10931 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,1,0,0,0,0|1,0,1]=4 10932 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,1,0,0,0,0|1,0,1]=4 10933 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,1,0,0,0,0|1,0,1]=4 10934 B10R0.4 C=C(C)CCSCCCC=O 62a_100000730704_200011292268 [1,1,0,0,0,0|1,0,1]=4 10935 B10R0.4 C=C(C)CCSCCCC=O 62a_200011292268_100000730704 [1,1,0,0,0,0|1,0,1]=4 10936 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,1,0,0,0,0|1,0,1]=4 10937 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,1,0,0,0,0|1,0,1]=4 10938 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [1,1,0,0,0,0|1,0,1]=4 10939 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,1,0,0,0,0|1,0,1]=4 10940 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,1,0,0,0,0|1,0,1]=4 10941 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,1,0,0,0,0|1,0,1]=4 10942 B10R0.4 C=C(C)CSCCCCC=O 62a_100000139335_100000211660 [1,1,0,0,0,0|1,0,1]=4 10943 B10R0.4 C=C(C)CSCCCCC=O 62a_100000748629_100000139335 [1,1,0,0,0,0|1,0,1]=4 10944 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [1,1,0,0,0,0|1,0,1]=4 10945 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [1,1,0,0,0,0|1,0,1]=4 10946 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [1,1,0,0,0,0|1,0,1]=4 10947 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [1,1,0,0,0,0|1,0,1]=4 10948 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [1,1,0,0,0,0|1,0,1]=4 10949 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [1,1,0,0,0,0|1,0,1]=4 10950 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [1,1,0,0,0,0|1,0,1]=4 10951 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [1,1,0,0,0,0|1,0,1]=4 10952 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [1,1,0,0,0,0|0,0,2]=4 10953 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [1,1,0,0,0,0|0,0,2]=4 10954 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [1,1,0,0,0,0|0,0,2]=4 10955 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [1,1,0,0,0,0|1,0,1]=4 10956 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [1,1,0,0,0,0|1,0,1]=4 10957 B10R0.4 C=CCCCCCNC(C)C 2230a_100138425928_100000700193 [1,1,0,0,0,0|1,0,1]=4 10958 B10R0.4 C=CCCCCCNC(C)C 34a_100138425928_100000700193 [1,1,0,0,0,0|1,0,1]=4 10959 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [1,1,0,0,0,0|1,0,1]=4 10960 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [1,1,0,0,0,0|1,0,1]=4 10961 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [1,1,0,0,0,0|1,0,1]=4 10962 B10R0.4 C=CCCCCCSC(C)C 62a_100000210206_100000700193 [1,1,0,0,0,0|1,0,1]=4 10963 B10R0.4 C=CCCCCCSC(C)C 62a_100000700193_100000210206 [1,1,0,0,0,0|1,0,1]=4 10964 B10R0.4 C=CCCCCNCC(C)C 2230a_100000210953_100011215482 [1,1,0,0,0,0|1,0,1]=4 10965 B10R0.4 C=CCCCCNCC(C)C 2230a_100000703577_100000210760 [1,1,0,0,0,0|1,0,1]=4 10966 B10R0.4 C=CCCCCNCC(C)C 270004a_100000703577_100000210432 [1,1,0,0,0,0|1,0,1]=4 10967 B10R0.4 C=CCCCCNCC(C)C 34a_100000210953_100011215482 [1,1,0,0,0,0|1,0,1]=4 10968 B10R0.4 C=CCCCCNCC(C)C 34a_100000703577_100000210624 [1,1,0,0,0,0|1,0,1]=4 10969 B10R0.4 C=CCCCCNCC(C)O 2230a_100000210904_100011215482 [1,1,0,0,0,0|1,0,1]=4 10970 B10R0.4 C=CCCCCNCC(C)O 2230a_100000703577_100011218427 [1,1,0,0,0,0|1,0,1]=4 10971 B10R0.4 C=CCCCCNCC(C)O 34a_100000210904_100011215482 [1,1,0,0,0,0|1,0,1]=4 10972 B10R0.4 C=CCCCCNCC(C)O 34a_100000703577_100011218427 [1,1,0,0,0,0|1,0,1]=4 10973 B10R0.4 C=CCCCCNC[C@@H](C)O 2230a_100000703577_100009817552 [1,1,0,0,0,0|1,0,1]=4 10974 B10R0.4 C=CCCCCNC[C@@H](C)O 34a_100000703577_100009817552 [1,1,0,0,0,0|1,0,1]=4 10975 B10R0.4 C=CCCCCOCC(C)Br 34a_100012180447_100011215482 [1,1,0,0,0,0|1,0,1]=4 10976 B10R0.4 C=CCCCCOCC(C)C 34a_100000210257_100011215482 [1,1,0,0,0,0|1,0,1]=4 10977 B10R0.4 C=CCCCCOCC(C)C 34a_100000766645_100000210624 [1,1,0,0,0,0|1,0,1]=4 10978 B10R0.4 C=CCCCCOCC(C)C 7a_100000766645_100000210760 [1,1,0,0,0,0|1,0,1]=4 10979 B10R0.4 C=CCCCCOCC(C)F 34a_100015925927_100011215482 [1,1,0,0,0,0|1,0,1]=4 10980 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [1,1,0,0,0,0|1,0,1]=4 10981 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [1,1,0,0,0,0|1,0,1]=4 10982 B10R0.4 C=CCCCCOC[C@@H](C)Cl 34a_100016084084_100011215482 [1,1,0,0,0,0|1,0,1]=4 10983 B10R0.4 C=CCCCCOC[C@@H](C)N 34a_100000737577_100011215482 [1,1,0,0,0,0|1,0,1]=4 10984 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [1,1,0,0,0,0|1,0,1]=4 10985 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [1,1,0,0,0,0|1,0,1]=4 10986 B10R0.4 C=CCCCCSCC(C)C 62a_100000210624_100011215482 [1,1,0,0,0,0|1,0,1]=4 10987 B10R0.4 C=CCCCCSCC(C)C 62a_100011215482_100000210760 [1,1,0,0,0,0|1,0,1]=4 10988 B10R0.4 C=CCCCCSCC(C)O 62a_100011215482_100011218427 [1,1,0,0,0,0|1,0,1]=4 10989 B10R0.4 C=CCCCCSCC(C)O 62a_100011218427_100011215482 [1,1,0,0,0,0|1,0,1]=4 10990 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100009817552_100011215482 [1,1,0,0,0,0|1,0,1]=4 10991 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100011215482_100009817552 [1,1,0,0,0,0|1,0,1]=4 10992 B10R0.4 C=CCCCNCCC(C)C 2230a_100000700776_100000210312 [1,1,0,0,0,0|1,0,1]=4 10993 B10R0.4 C=CCCCNCCC(C)C 269862a_100000700776_100000185833 [1,1,0,0,0,0|1,0,1]=4 10994 B10R0.4 C=CCCCNCCC(C)C 34a_100000700776_100000210312 [1,1,0,0,0,0|1,0,1]=4 10995 B10R0.4 C=CCCCNCCC(C)O 2230a_100000700776_100012276601 [1,1,0,0,0,0|1,0,1]=4 10996 B10R0.4 C=CCCCNCCC(C)O 2230a_200000755665_100011713584 [1,1,0,0,0,0|1,0,1]=4 10997 B10R0.4 C=CCCCNCCC(C)O 34a_100000700776_100012276601 [1,1,0,0,0,0|1,0,1]=4 10998 B10R0.4 C=CCCCOCCC(C)Br 34a_100009893172_100000757094 [1,1,0,0,0,0|1,0,1]=4 10999 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [1,1,0,0,0,0|1,0,1]=4 11000 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [1,1,0,0,0,0|1,0,1]=4 11001 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [1,1,0,0,0,0|1,0,1]=4 11002 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [1,1,0,0,0,0|1,0,1]=4 11003 B10R0.4 C=CCCCOCCC(C)O 34a_100000758997_100012276601 [1,1,0,0,0,0|1,0,1]=4 11004 B10R0.4 C=CCCCOCCC(C)O 7a_100000758997_100012276601 [1,1,0,0,0,0|1,0,1]=4 11005 B10R0.4 C=CCCCOCC[C@@H](C)N 34a_100000706166_100000757094 [1,1,0,0,0,0|1,0,1]=4 11006 B10R0.4 C=CCCCSCCC(C)C 62a_100000210312_100000757094 [1,1,0,0,0,0|1,0,1]=4 11007 B10R0.4 C=CCCCSCCC(C)C 62a_100011713584_100000210312 [1,1,0,0,0,0|1,0,1]=4 11008 B10R0.4 C=CCCCSCCC(C)O 62a_100011713584_100012276601 [1,1,0,0,0,0|1,0,1]=4 11009 B10R0.4 C=CCCCSCCC(C)O 62a_100012276601_100000757094 [1,1,0,0,0,0|1,0,1]=4 11010 B10R0.4 C=CCCNCCCC(C)C 2230a_100015191253_100011214892 [1,1,0,0,0,0|1,0,1]=4 11011 B10R0.4 C=CCCNCCCC(C)C 2230a_200000737386_100000754431 [1,1,0,0,0,0|1,0,1]=4 11012 B10R0.4 C=CCCNCCCC(C)C 34a_200000737386_100000754431 [1,1,0,0,0,0|1,0,1]=4 11013 B10R0.4 C=CCCNCCCC(C)O 2230a_100015191253_200000718107 [1,1,0,0,0,0|1,0,1]=4 11014 B10R0.4 C=CCCOCCCC(C)C 34a_100000210774_100000754431 [1,1,0,0,0,0|1,0,1]=4 11015 B10R0.4 C=CCCOCCCC(C)C 34a_100011205117_100011214892 [1,1,0,0,0,0|1,0,1]=4 11016 B10R0.4 C=CCCOCCCC(C)C 7a_100000210774_100000754431 [1,1,0,0,0,0|1,0,1]=4 11017 B10R0.4 C=CCCOCCCC(C)O 34a_100011205117_200000718107 [1,1,0,0,0,0|1,0,1]=4 11018 B10R0.4 C=CCCSCCCC(C)C 62a_100000754431_100011214892 [1,1,0,0,0,0|1,0,1]=4 11019 B10R0.4 C=CCCSCCCC(C)C 62a_100011214892_100000754431 [1,1,0,0,0,0|1,0,1]=4 11020 B10R0.4 C=CCCSCCCC(C)O 62a_100000754431_200000718107 [1,1,0,0,0,0|1,0,1]=4 11021 B10R0.4 C=CCCSCCCC(C)O 62a_200000718107_100000754431 [1,1,0,0,0,0|1,0,1]=4 11022 B10R0.4 C=CCNCCCCC(C)C 2230a_100020586998_100011216152 [1,1,0,0,0,0|1,0,1]=4 11023 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [1,1,0,0,0,0|1,0,1]=4 11024 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [1,1,0,0,0,0|1,0,1]=4 11025 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [1,1,0,0,0,0|1,0,1]=4 11026 B10R0.4 C=CCSCCCCC(C)C 62a_100000210623_100011216152 [1,1,0,0,0,0|1,0,1]=4 11027 B10R0.4 C=CCSCCCCC(C)C 62a_100011216152_100000210623 [1,1,0,0,0,0|1,0,1]=4 11028 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [1,1,0,0,0,0|1,0,1]=4 11029 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,1,0,0,0,0|1,0,0]=3 11030 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,1,0,0,0,0|1,0,0]=3 11031 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [1,1,0,0,0,0|2,0,0]=4 11032 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,1,0,0,0,0|2,0,0]=4 11033 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [1,1,0,0,0,0|2,0,0]=4 11034 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [1,1,0,0,0,0|2,0,0]=4 11035 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [1,1,0,0,0,0|1,0,1]=4 11036 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [1,1,0,0,0,0|1,0,1]=4 11037 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [1,1,0,0,0,0|2,0,0]=4 11038 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [1,1,0,0,0,0|2,0,0]=4 11039 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,1,0,0,0,0|2,0,0]=4 11040 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,1,0,0,0,0|2,0,0]=4 11041 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [1,1,0,0,0,0|2,0,0]=4 11042 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [1,1,0,0,0,0|2,0,0]=4 11043 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [1,1,0,0,0,0|2,0,0]=4 11044 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [1,1,0,0,0,0|2,0,0]=4 11045 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [1,1,0,0,0,0|2,0,0]=4 11046 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [1,1,0,0,0,0|2,0,0]=4 11047 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [1,1,0,0,0,0|2,0,0]=4 11048 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,1,0,0,0,0|2,0,0]=4 11049 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,1,0,0,0,0|2,0,0]=4 11050 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [1,1,0,0,0,0|2,0,0]=4 11051 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [1,1,0,0,0,0|2,0,0]=4 11052 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,1,0,0,0,0|2,0,0]=4 11053 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,1,0,0,0,0|2,0,0]=4 11054 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [1,1,0,0,0,0|1,0,1]=4 11055 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [1,1,0,0,0,0|2,0,0]=4 11056 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [1,1,0,0,0,0|2,0,0]=4 11057 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [1,1,0,0,0,0|2,0,0]=4 11058 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [1,1,0,0,0,0|2,0,0]=4 11059 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,1,0,0,0,0|2,0,0]=4 11060 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,1,0,0,0,0|2,0,0]=4 11061 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [1,1,0,0,0,0|1,0,1]=4 11062 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [1,1,0,0,0,0|1,0,1]=4 11063 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [1,1,0,0,0,0|2,0,0]=4 11064 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [1,1,0,0,0,0|2,0,0]=4 11065 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,1,0,0,0,0|2,0,0]=4 11066 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,1,0,0,0,0|2,0,0]=4 11067 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [1,1,0,0,0,0|2,0,0]=4 11068 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,1,0,0,0,0|2,0,0]=4 11069 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,1,0,0,0,0|2,0,0]=4 11070 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,1,0,0,0,0|2,0,0]=4 11071 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [1,1,0,0,0,0|2,0,0]=4 11072 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [1,1,0,0,0,0|2,0,0]=4 11073 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [1,1,0,0,0,0|2,0,0]=4 11074 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [1,1,0,0,0,0|2,0,0]=4 11075 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [1,1,0,0,0,0|2,0,0]=4 11076 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [1,1,0,0,0,0|1,0,1]=4 11077 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [1,1,0,0,0,0|2,0,0]=4 11078 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [1,1,0,0,0,0|1,0,1]=4 11079 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [1,1,0,0,0,0|1,0,1]=4 11080 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [1,1,0,0,0,0|1,0,1]=4 11081 B10R0.4 CC(C)CCCCCNCF 34a_100011290863_100015361967 [1,1,0,0,0,0|2,0,0]=4 11082 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [1,1,0,0,0,0|2,0,0]=4 11083 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [1,1,0,0,0,0|2,0,0]=4 11084 B10R0.4 CC(C)CCCCCSCF 62a_100000210682_100015361967 [1,1,0,0,0,0|2,0,0]=4 11085 B10R0.4 CC(C)CCCCCSCF 62a_100015361967_100000210682 [1,1,0,0,0,0|2,0,0]=4 11086 B10R0.4 CC(C)CCCCNCCF 34a_100000724931_100011216152 [1,1,0,0,0,0|2,0,0]=4 11087 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [1,1,0,0,0,0|1,0,1]=4 11088 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [1,1,0,0,0,0|1,0,1]=4 11089 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [1,1,0,0,0,0|1,0,0]=3 11090 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [1,1,0,0,0,0|1,0,0]=3 11091 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [1,1,0,0,0,0|2,0,0]=4 11092 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [1,1,0,0,0,0|2,0,0]=4 11093 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [1,1,0,0,0,0|2,0,0]=4 11094 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [1,1,0,0,0,0|2,0,0]=4 11095 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [1,1,0,0,0,0|1,0,1]=4 11096 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [1,1,0,0,0,0|1,0,1]=4 11097 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [1,1,0,0,0,0|1,0,0]=3 11098 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [1,1,0,0,0,0|1,0,0]=3 11099 B10R0.4 CC(C)CCCCSCCF 62a_100011216152_100011217306 [1,1,0,0,0,0|2,0,0]=4 11100 B10R0.4 CC(C)CCCCSCCF 62a_100011217306_100011216152 [1,1,0,0,0,0|2,0,0]=4 11101 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [1,1,0,0,0,0|1,0,1]=4 11102 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [1,1,0,0,0,0|1,0,1]=4 11103 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [1,1,0,0,0,0|2,0,0]=4 11104 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [1,1,0,0,0,0|2,0,0]=4 11105 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [1,1,0,0,0,0|2,0,0]=4 11106 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [1,1,0,0,0,0|2,0,0]=4 11107 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [1,1,0,0,0,0|1,0,1]=4 11108 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [1,1,0,0,0,0|1,0,1]=4 11109 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [1,1,0,0,0,0|2,0,0]=4 11110 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [1,1,0,0,0,0|2,0,0]=4 11111 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [1,1,0,0,0,0|2,0,0]=4 11112 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [1,1,0,0,0,0|2,0,0]=4 11113 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [1,1,0,0,0,0|2,0,0]=4 11114 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [1,1,0,0,0,0|2,0,0]=4 11115 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [1,1,0,0,0,0|1,0,1]=4 11116 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [1,1,0,0,0,0|1,0,1]=4 11117 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [1,1,0,0,0,0|2,0,0]=4 11118 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [1,1,0,0,0,0|2,0,0]=4 11119 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [1,1,0,0,0,0|1,0,1]=4 11120 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [1,1,0,0,0,0|1,0,1]=4 11121 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [1,1,0,0,0,0|1,0,1]=4 11122 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [1,1,0,0,0,0|1,0,1]=4 11123 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [1,1,0,0,0,0|1,0,1]=4 11124 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [1,1,0,0,0,0|1,0,0]=3 11125 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [1,1,0,0,0,0|2,0,0]=4 11126 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [1,1,0,0,0,0|2,0,0]=4 11127 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [1,1,0,0,0,0|2,0,0]=4 11128 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [1,1,0,0,0,0|2,0,0]=4 11129 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [1,1,0,0,0,0|2,0,0]=4 11130 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [1,1,0,0,0,0|2,0,0]=4 11131 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [1,1,0,0,0,0|2,0,0]=4 11132 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [1,1,0,0,0,0|2,0,0]=4 11133 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [1,1,0,0,0,0|2,0,0]=4 11134 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [1,1,0,0,0,0|1,0,1]=4 11135 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [1,1,0,0,0,0|1,0,1]=4 11136 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [1,1,0,0,0,0|1,0,0]=3 11137 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [1,1,0,0,0,0|1,0,0]=3 11138 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [1,1,0,0,0,0|2,0,0]=4 11139 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [1,1,0,0,0,0|2,0,0]=4 11140 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [1,1,0,0,0,0|1,0,1]=4 11141 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [1,1,0,0,0,0|1,0,1]=4 11142 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [1,1,0,0,0,0|1,0,0]=3 11143 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [1,1,0,0,0,0|2,0,0]=4 11144 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [1,1,0,0,0,0|2,0,0]=4 11145 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [1,1,0,0,0,0|1,0,1]=4 11146 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [1,1,0,0,0,0|1,0,1]=4 11147 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [1,1,0,0,0,0|1,0,1]=4 11148 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [1,1,0,0,0,0|1,0,1]=4 11149 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [1,1,0,0,0,0|1,0,1]=4 11150 B10R0.4 CC(C)CNCCOCC=O 34a_100015185251_200009817547 [1,1,0,0,0,0|2,0,0]=4 11151 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [1,1,0,0,0,0|2,0,0]=4 11152 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [1,1,0,0,0,0|2,0,0]=4 11153 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [1,1,0,0,0,0|2,0,0]=4 11154 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [1,1,0,0,0,0|2,0,0]=4 11155 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [1,1,0,0,0,0|2,0,0]=4 11156 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [1,1,0,0,0,0|2,0,0]=4 11157 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [1,1,0,0,0,0|2,0,0]=4 11158 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [1,1,0,0,0,0|2,0,0]=4 11159 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [1,1,0,0,0,0|1,0,1]=4 11160 B10R0.4 CC(C)COCCOCC=O 34a_100000703358_200009817547 [1,1,0,0,0,0|2,0,0]=4 11161 B10R0.4 CC(C)COCCOCC=O 7a_100000703358_200015260668 [1,1,0,0,0,0|2,0,0]=4 11162 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [1,1,0,0,0,0|1,0,0]=3 11163 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [1,1,0,0,0,0|1,0,0]=3 11164 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [1,1,0,0,0,0|2,0,0]=4 11165 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [1,1,0,0,0,0|2,0,0]=4 11166 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [1,1,0,0,0,0|1,0,1]=4 11167 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [1,1,0,0,0,0|1,0,1]=4 11168 B10R0.4 CC(C)CSCCOCC=O 34a_200000230437_200009817547 [1,1,0,0,0,0|2,0,0]=4 11169 B10R0.4 CC(C)CSCCOCC=O 7a_200000230437_200015260668 [1,1,0,0,0,0|2,0,0]=4 11170 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [1,1,0,0,0,0|1,0,0]=3 11171 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [1,1,0,0,0,0|2,0,0]=4 11172 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [1,1,0,0,0,0|2,0,0]=4 11173 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [1,1,0,0,0,0|1,0,1]=4 11174 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [1,1,0,0,0,0|1,0,1]=4 11175 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [1,1,0,0,0,0|1,0,1]=4 11176 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [1,1,0,0,0,0|1,0,1]=4 11177 B10R0.4 CC(C)NCCCOCC=O 34a_100000182298_200009817547 [1,1,0,0,0,0|2,0,0]=4 11178 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [1,1,0,0,0,0|2,0,0]=4 11179 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [1,1,0,0,0,0|2,0,0]=4 11180 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [1,1,0,0,0,0|2,0,0]=4 11181 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [1,1,0,0,0,0|2,0,0]=4 11182 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [1,1,0,0,0,0|2,0,0]=4 11183 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [1,1,0,0,0,0|2,0,0]=4 11184 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [1,1,0,0,0,0|2,0,0]=4 11185 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [1,1,0,0,0,0|2,0,0]=4 11186 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [1,1,0,0,0,0|1,0,1]=4 11187 B10R0.4 CC(C)OCCCNCC=O 2230a_100000737246_200015260668 [1,1,0,0,0,0|2,0,0]=4 11188 B10R0.4 CC(C)OCCCNCC=O 34a_100000737246_200009817547 [1,1,0,0,0,0|2,0,0]=4 11189 B10R0.4 CC(C)OCSCCCC=O 62a_100000709892_200011292268 [1,1,0,0,0,0|2,0,0]=4 11190 B10R0.4 CC(C)OCSCCCC=O 62a_200011292268_100000709892 [1,1,0,0,0,0|2,0,0]=4 11191 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [1,1,0,0,0,0|1,0,0]=3 11192 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [1,1,0,0,0,0|1,0,0]=3 11193 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [1,1,0,0,0,0|2,0,0]=4 11194 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [1,1,0,0,0,0|2,0,0]=4 11195 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [1,1,0,0,0,0|1,0,1]=4 11196 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [1,1,0,0,0,0|1,0,1]=4 11197 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [1,1,0,0,0,0|2,0,0]=4 11198 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [1,1,0,0,0,0|1,0,1]=4 11199 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [1,1,0,0,0,0|2,0,0]=4 11200 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [1,1,0,0,0,0|2,0,0]=4 11201 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [1,1,0,0,0,0|2,0,0]=4 11202 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [1,1,0,0,0,0|2,0,0]=4 11203 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [1,1,0,0,0,0|2,0,0]=4 11204 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [1,1,0,0,0,0|2,0,0]=4 11205 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [1,1,0,0,0,0|2,0,0]=4 11206 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [1,1,0,0,0,0|2,0,0]=4 11207 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [1,1,0,0,0,0|1,0,1]=4 11208 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [1,1,0,0,0,0|1,0,1]=4 11209 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [1,1,0,0,0,0|1,0,0]=3 11210 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [1,1,0,0,0,0|2,0,0]=4 11211 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [1,1,0,0,0,0|1,0,1]=4 11212 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [1,1,0,0,0,0|1,0,1]=4 11213 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [1,1,0,0,0,0|1,0,1]=4 11214 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [1,1,0,0,0,0|2,0,0]=4 11215 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [1,1,0,0,0,0|2,0,0]=4 11216 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [1,1,0,0,0,0|2,0,0]=4 11217 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [1,1,0,0,0,0|2,0,0]=4 11218 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [1,1,0,0,0,0|2,0,0]=4 11219 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [1,1,0,0,0,0|2,0,0]=4 11220 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [1,1,0,0,0,0|2,0,0]=4 11221 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [1,1,0,0,0,0|1,0,0]=3 11222 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [1,1,0,0,0,0|1,0,0]=3 11223 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [1,1,0,0,0,0|2,0,0]=4 11224 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [1,1,0,0,0,0|2,0,0]=4 11225 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [1,1,0,0,0,0|1,0,1]=4 11226 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [1,1,0,0,0,0|1,0,1]=4 11227 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [1,1,0,0,0,0|1,0,0]=3 11228 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [1,1,0,0,0,0|2,0,0]=4 11229 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [1,1,0,0,0,0|2,0,0]=4 11230 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [1,1,0,0,0,0|1,0,1]=4 11231 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [1,1,0,0,0,0|1,0,1]=4 11232 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [1,1,0,0,0,0|1,0,1]=4 11233 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [1,1,0,0,0,0|1,0,1]=4 11234 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [1,1,0,0,0,0|2,0,0]=4 11235 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [1,1,0,0,0,0|2,0,0]=4 11236 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [1,1,0,0,0,0|2,0,0]=4 11237 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [1,1,0,0,0,0|2,0,0]=4 11238 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [1,1,0,0,0,0|2,0,0]=4 11239 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [1,1,0,0,0,0|2,0,0]=4 11240 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [1,1,0,0,0,0|2,0,0]=4 11241 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [1,1,0,0,0,0|1,0,0]=3 11242 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [1,1,0,0,0,0|1,0,0]=3 11243 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [1,1,0,0,0,0|2,0,0]=4 11244 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [1,1,0,0,0,0|2,0,0]=4 11245 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [1,1,0,0,0,0|1,0,1]=4 11246 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [1,1,0,0,0,0|1,0,1]=4 11247 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,1,0,0,0,0|0,0,2]=4 11248 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,1,0,0,0,0|0,0,2]=4 11249 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [1,1,0,0,0,0|0,0,2]=4 11250 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,1,0,0,0,0|0,0,2]=4 11251 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,1,0,0,0,0|0,0,2]=4 11252 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,1,0,0,0,0|0,0,0]=2 11253 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,1,0,0,0,0|0,0,0]=2 11254 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,1,0,0,0,0|0,0,0]=2 11255 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [1,1,0,0,0,0|1,0,1]=4 11256 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [1,1,0,0,0,0|1,0,1]=4 11257 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [1,1,0,0,0,0|1,0,1]=4 11258 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [1,1,0,0,0,0|1,0,1]=4 11259 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [1,1,0,0,0,0|1,0,1]=4 11260 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [1,1,0,0,0,0|1,0,1]=4 11261 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,1,0,0,0,0|1,0,0]=3 11262 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,1,0,0,0,0|1,0,0]=3 11263 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,1,0,0,0,0|1,0,0]=3 11264 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,1,0,0,0,0|1,0,0]=3 11265 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [1,1,0,0,0,0|1,0,1]=4 11266 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [1,1,0,0,0,0|1,0,1]=4 11267 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [1,1,0,0,0,0|1,0,1]=4 11268 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [1,1,0,0,0,0|1,0,1]=4 11269 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [1,1,0,0,0,0|1,0,1]=4 11270 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [1,1,0,0,0,0|1,0,1]=4 11271 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [1,1,0,0,0,0|1,0,1]=4 11272 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [1,1,0,0,0,0|1,0,1]=4 11273 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,1,0,0,0,0|1,0,0]=3 11274 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,1,0,0,0,0|1,0,0]=3 11275 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,1,0,0,0,0|1,0,0]=3 11276 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,1,0,0,0,0|1,0,1]=4 11277 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,1,0,0,0,0|1,0,1]=4 11278 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,1,0,0,0,0|1,0,1]=4 11279 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,1,0,0,0,0|1,0,1]=4 11280 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,1,0,0,0,0|1,0,1]=4 11281 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,1,0,0,0,0|1,0,1]=4 11282 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,1,0,0,0,0|1,0,1]=4 11283 B10R0.4 CCCCCCNCC(F)F 2230a_100000210581_100011934356 [1,1,0,0,0,0|2,0,0]=4 11284 B10R0.4 CCCCCCNCC(F)F 34a_100000765723_100000210314 [1,1,0,0,0,0|2,0,0]=4 11285 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,1,0,0,0,0|1,0,1]=4 11286 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,1,0,0,0,0|1,0,0]=3 11287 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,1,0,0,0,0|1,0,0]=3 11288 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,1,0,0,0,0|1,0,0]=3 11289 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,1,0,0,0,0|1,0,0]=3 11290 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [1,1,0,0,0,0|1,0,1]=4 11291 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,1,0,0,0,0|1,0,1]=4 11292 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,1,0,0,0,0|1,0,1]=4 11293 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,1,0,0,0,0|1,0,1]=4 11294 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [1,1,0,0,0,0|1,0,1]=4 11295 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,1,0,0,0,0|1,0,1]=4 11296 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,1,0,0,0,0|1,0,1]=4 11297 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [1,1,0,0,0,0|2,0,0]=4 11298 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [1,1,0,0,0,0|2,0,0]=4 11299 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [1,1,0,0,0,0|2,0,0]=4 11300 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [1,1,0,0,0,0|1,0,1]=4 11301 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,1,0,0,0,0|1,0,1]=4 11302 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,1,0,0,0,0|1,0,1]=4 11303 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,1,0,0,0,0|1,0,1]=4 11304 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [1,1,0,0,0,0|2,0,0]=4 11305 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,1,0,0,0,0|1,0,0]=3 11306 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,1,0,0,0,0|1,0,0]=3 11307 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,1,0,0,0,0|1,0,0]=3 11308 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,1,0,0,0,0|1,0,0]=3 11309 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,1,0,0,0,0|1,0,1]=4 11310 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,1,0,0,0,0|1,0,1]=4 11311 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,1,0,0,0,0|1,0,1]=4 11312 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,1,0,0,0,0|1,0,1]=4 11313 B10R0.4 CCCCCCSCC(F)F 62a_100000210314_100011934356 [1,1,0,0,0,0|2,0,0]=4 11314 B10R0.4 CCCCCCSCC(F)F 62a_100011934356_100000210757 [1,1,0,0,0,0|2,0,0]=4 11315 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,1,0,0,0,0|1,0,1]=4 11316 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,1,0,0,0,0|1,0,1]=4 11317 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [1,1,0,0,0,0|2,0,0]=4 11318 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,1,0,0,0,0|1,0,0]=3 11319 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [1,1,0,0,0,0|1,0,1]=4 11320 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [1,1,0,0,0,0|1,0,1]=4 11321 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,1,0,0,0,0|1,0,1]=4 11322 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,1,0,0,0,0|1,0,1]=4 11323 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,1,0,0,0,0|2,0,0]=4 11324 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,1,0,0,0,0|1,0,0]=3 11325 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,1,0,0,0,0|1,0,0]=3 11326 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,1,0,0,0,0|1,0,0]=3 11327 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,1,0,0,0,0|1,0,0]=3 11328 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,1,0,0,0,0|1,0,0]=3 11329 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,1,0,0,0,0|1,0,0]=3 11330 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,1,0,0,0,0|1,0,0]=3 11331 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [1,1,0,0,0,0|1,0,1]=4 11332 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [1,1,0,0,0,0|1,0,1]=4 11333 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [1,1,0,0,0,0|1,0,1]=4 11334 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [1,1,0,0,0,0|1,0,1]=4 11335 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [1,1,0,0,0,0|1,0,1]=4 11336 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,1,0,0,0,0|1,0,1]=4 11337 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,1,0,0,0,0|1,0,1]=4 11338 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [1,1,0,0,0,0|2,0,0]=4 11339 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,1,0,0,0,0|1,0,1]=4 11340 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,1,0,0,0,0|2,0,0]=4 11341 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,1,0,0,0,0|1,0,0]=3 11342 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,1,0,0,0,0|1,0,0]=3 11343 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,1,0,0,0,0|1,0,0]=3 11344 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,1,0,0,0,0|1,0,0]=3 11345 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [1,1,0,0,0,0|1,0,1]=4 11346 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [1,1,0,0,0,0|1,0,1]=4 11347 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,1,0,0,0,0|1,0,1]=4 11348 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,1,0,0,0,0|1,0,1]=4 11349 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,1,0,0,0,0|2,0,0]=4 11350 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,1,0,0,0,0|2,0,0]=4 11351 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,1,0,0,0,0|1,0,0]=3 11352 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,1,0,0,0,0|1,0,0]=3 11353 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,1,0,0,0,0|1,0,0]=3 11354 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [1,1,0,0,0,0|1,0,1]=4 11355 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [1,1,0,0,0,0|1,0,1]=4 11356 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [1,1,0,0,0,0|1,0,1]=4 11357 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [1,1,0,0,0,0|1,0,1]=4 11358 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [1,1,0,0,0,0|1,0,1]=4 11359 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [1,1,0,0,0,0|1,0,1]=4 11360 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [1,1,0,0,0,0|2,0,0]=4 11361 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [1,1,0,0,0,0|2,0,0]=4 11362 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [1,1,0,0,0,0|2,0,0]=4 11363 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [1,1,0,0,0,0|2,0,0]=4 11364 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [1,1,0,0,0,0|2,0,0]=4 11365 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [1,1,0,0,0,0|2,0,0]=4 11366 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [1,1,0,0,0,0|2,0,0]=4 11367 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [1,1,0,0,0,0|2,0,0]=4 11368 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [1,1,0,0,0,0|2,0,0]=4 11369 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,1,0,0,0,0|1,0,0]=3 11370 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,1,0,0,0,0|1,0,0]=3 11371 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,1,0,0,0,0|1,0,0]=3 11372 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,1,0,0,0,0|1,0,0]=3 11373 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,1,0,0,0,0|1,0,0]=3 11374 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,1,0,0,0,0|1,0,0]=3 11375 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,1,0,0,0,0|1,0,1]=4 11376 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,1,0,0,0,0|1,0,1]=4 11377 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,1,0,0,0,0|1,0,1]=4 11378 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,1,0,0,0,0|1,0,1]=4 11379 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,1,0,0,0,0|1,0,1]=4 11380 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,1,0,0,0,0|1,0,1]=4 11381 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [1,1,0,0,0,0|2,0,0]=4 11382 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [1,1,0,0,0,0|2,0,0]=4 11383 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [1,1,0,0,0,0|2,0,0]=4 11384 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [1,1,0,0,0,0|2,0,0]=4 11385 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [1,1,0,0,0,0|2,0,0]=4 11386 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [1,1,0,0,0,0|2,0,0]=4 11387 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [1,1,0,0,0,0|2,0,0]=4 11388 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [1,1,0,0,0,0|2,0,0]=4 11389 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [1,1,0,0,0,0|2,0,0]=4 11390 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [1,1,0,0,0,0|2,0,0]=4 11391 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [1,1,0,0,0,0|2,0,0]=4 11392 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,1,0,0,0,0|2,0,0]=4 11393 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [1,1,0,0,0,0|2,0,0]=4 11394 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [1,1,0,0,0,0|2,0,0]=4 11395 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [1,1,0,0,0,0|2,0,0]=4 11396 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [1,1,0,0,0,0|2,0,0]=4 11397 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [1,1,0,0,0,0|2,0,0]=4 11398 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,1,0,0,0,0|1,0,0]=3 11399 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,1,0,0,0,0|1,0,0]=3 11400 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,1,0,0,0,0|1,0,0]=3 11401 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,1,0,0,0,0|1,0,0]=3 11402 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [1,1,0,0,0,0|1,0,1]=4 11403 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [1,1,0,0,0,0|1,0,1]=4 11404 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [1,1,0,0,0,0|1,0,1]=4 11405 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [1,1,0,0,0,0|1,0,1]=4 11406 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [1,1,0,0,0,0|2,0,0]=4 11407 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [1,1,0,0,0,0|2,0,0]=4 11408 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [1,1,0,0,0,0|2,0,0]=4 11409 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [1,1,0,0,0,0|2,0,0]=4 11410 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [1,1,0,0,0,0|2,0,0]=4 11411 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [1,1,0,0,0,0|2,0,0]=4 11412 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [1,1,0,0,0,0|2,0,0]=4 11413 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [1,1,0,0,0,0|2,0,0]=4 11414 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [1,1,0,0,0,0|2,0,0]=4 11415 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [1,1,0,0,0,0|2,0,0]=4 11416 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [1,1,0,0,0,0|2,0,0]=4 11417 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [1,1,0,0,0,0|2,0,0]=4 11418 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,1,0,0,0,0|1,0,0]=3 11419 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [1,1,0,0,0,0|2,0,0]=4 11420 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,1,0,0,0,0|2,0,0]=4 11421 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,1,0,0,0,0|1,0,0]=3 11422 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,1,0,0,0,0|1,0,0]=3 11423 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,1,0,0,0,0|1,0,0]=3 11424 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,1,0,0,0,0|1,0,1]=4 11425 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,1,0,0,0,0|1,0,1]=4 11426 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,1,0,0,0,0|1,0,1]=4 11427 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [1,1,0,0,0,0|2,0,0]=4 11428 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [1,1,0,0,0,0|2,0,0]=4 11429 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [1,1,0,0,0,0|2,0,0]=4 11430 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [1,1,0,0,0,0|2,0,0]=4 11431 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [1,1,0,0,0,0|2,0,0]=4 11432 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [1,1,0,0,0,0|2,0,0]=4 11433 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [1,1,0,0,0,0|2,0,0]=4 11434 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [1,1,0,0,0,0|2,0,0]=4 11435 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [1,1,0,0,0,0|2,0,0]=4 11436 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [1,1,0,0,0,0|2,0,0]=4 11437 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [1,1,0,0,0,0|2,0,0]=4 11438 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,1,0,0,0,0|2,0,0]=4 11439 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [1,1,0,0,0,0|2,0,0]=4 11440 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [1,1,0,0,0,0|2,0,0]=4 11441 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [1,1,0,0,0,0|2,0,0]=4 11442 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [1,1,0,0,0,0|2,0,0]=4 11443 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [1,1,0,0,0,0|2,0,0]=4 11444 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [1,1,0,0,0,0|2,0,0]=4 11445 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [1,1,0,0,0,0|2,0,0]=4 11446 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [1,1,0,0,0,0|2,0,0]=4 11447 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [1,1,0,0,0,0|2,0,0]=4 11448 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [1,1,0,0,0,0|2,0,0]=4 11449 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,1,0,0,0,0|1,0,0]=3 11450 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,1,0,0,0,0|1,0,0]=3 11451 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,1,0,0,0,0|1,0,1]=4 11452 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,1,0,0,0,0|1,0,1]=4 11453 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [1,1,0,0,0,0|2,0,0]=4 11454 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [1,1,0,0,0,0|2,0,0]=4 11455 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [1,1,0,0,0,0|2,0,0]=4 11456 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [1,1,0,0,0,0|2,0,0]=4 11457 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [1,1,0,0,0,0|2,0,0]=4 11458 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [1,1,0,0,0,0|2,0,0]=4 11459 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [1,1,0,0,0,0|2,0,0]=4 11460 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [1,1,0,0,0,0|2,0,0]=4 11461 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [1,1,0,0,0,0|2,0,0]=4 11462 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [1,1,0,0,0,0|2,0,0]=4 11463 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,1,0,0,0,0|1,0,0]=3 11464 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [1,1,0,0,0,0|1,0,1]=4 11465 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [1,1,0,0,0,0|1,0,1]=4 11466 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [1,1,0,0,0,0|1,0,1]=4 11467 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [1,1,0,0,0,0|2,0,0]=4 11468 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [1,1,0,0,0,0|2,0,0]=4 11469 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [1,1,0,0,0,0|2,0,0]=4 11470 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,1,0,0,0,0|1,0,0]=3 11471 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,1,0,0,0,0|1,0,0]=3 11472 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,1,0,0,0,0|1,0,0]=3 11473 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,1,0,0,0,0|1,0,0]=3 11474 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [1,1,0,0,0,0|1,0,1]=4 11475 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [1,1,0,0,0,0|1,0,1]=4 11476 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [1,1,0,0,0,0|1,0,1]=4 11477 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [1,1,0,0,0,0|2,0,0]=4 11478 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [1,1,0,0,0,0|2,0,0]=4 11479 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [1,1,0,0,0,0|2,0,0]=4 11480 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [1,1,0,0,0,0|2,0,0]=4 11481 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [1,1,0,0,0,0|2,0,0]=4 11482 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [1,1,0,0,0,0|2,0,0]=4 11483 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [1,1,0,0,0,0|2,0,0]=4 11484 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,1,0,0,0,0|2,0,0]=4 11485 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [1,1,0,0,0,0|2,0,0]=4 11486 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [1,1,0,0,0,0|2,0,0]=4 11487 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [1,1,0,0,0,0|2,0,0]=4 11488 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [1,1,0,0,0,0|2,0,0]=4 11489 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [1,1,0,0,0,0|2,0,0]=4 11490 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [1,1,0,0,0,0|2,0,0]=4 11491 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [1,1,0,0,0,0|2,0,0]=4 11492 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [1,1,0,0,0,0|2,0,0]=4 11493 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [1,1,0,0,0,0|2,0,0]=4 11494 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [1,1,0,0,0,0|2,0,0]=4 11495 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [1,1,0,0,0,0|2,0,0]=4 11496 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [1,1,0,0,0,0|2,0,0]=4 11497 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [1,1,0,0,0,0|2,0,0]=4 11498 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [1,1,0,0,0,0|2,0,0]=4 11499 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [1,1,0,0,0,0|2,0,0]=4 11500 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [1,1,0,0,0,0|2,0,0]=4 11501 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [1,1,0,0,0,0|2,0,0]=4 11502 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [1,1,0,0,0,0|2,0,0]=4 11503 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [1,1,0,0,0,0|2,0,0]=4 11504 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [1,1,0,0,0,0|2,0,0]=4 11505 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [1,1,0,0,0,0|2,0,0]=4 11506 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [1,1,0,0,0,0|2,0,0]=4 11507 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [1,1,0,0,0,0|2,0,0]=4 11508 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [1,1,0,0,0,0|2,0,0]=4 11509 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [1,1,0,0,0,0|2,0,0]=4 11510 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [1,1,0,0,0,0|2,0,0]=4 11511 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [1,1,0,0,0,0|2,0,0]=4 11512 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,1,0,0,0,0|1,0,0]=3 11513 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,1,0,0,0,0|1,0,0]=3 11514 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [1,1,0,0,0,0|1,0,1]=4 11515 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [1,1,0,0,0,0|1,0,1]=4 11516 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [1,1,0,0,0,0|2,0,0]=4 11517 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [1,1,0,0,0,0|2,0,0]=4 11518 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [1,1,0,0,0,0|2,0,0]=4 11519 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [1,1,0,0,0,0|2,0,0]=4 11520 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [1,1,0,0,0,0|2,0,0]=4 11521 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [1,1,0,0,0,0|2,0,0]=4 11522 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [1,1,0,0,0,0|2,0,0]=4 11523 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [1,1,0,0,0,0|2,0,0]=4 11524 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [1,1,0,0,0,0|2,0,0]=4 11525 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [1,1,0,0,0,0|2,0,0]=4 11526 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [1,1,0,0,0,0|2,0,0]=4 11527 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [1,1,0,0,0,0|2,0,0]=4 11528 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [1,1,0,0,0,0|2,0,0]=4 11529 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [1,1,0,0,0,0|2,0,0]=4 11530 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [1,1,0,0,0,0|2,0,0]=4 11531 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [1,1,0,0,0,0|2,0,0]=4 11532 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [1,1,0,0,0,0|2,0,0]=4 11533 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [1,1,0,0,0,0|2,0,0]=4 11534 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [1,1,0,0,0,0|2,0,0]=4 11535 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [1,1,0,0,0,0|1,0,1]=4 11536 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [1,1,0,0,0,0|1,0,1]=4 11537 B10R0.4 CN(C)CCCCSCC=O 62a_200015260668_100000690147 [1,1,0,0,0,0|2,0,0]=4 11538 B10R0.4 CN(C)CCSCCCC=O 62a_200011292268_100000755713 [1,1,0,0,0,0|2,0,0]=4 11539 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [1,1,0,0,0,0|1,0,1]=4 11540 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [1,1,0,0,0,0|1,0,1]=4 11541 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [1,1,0,0,0,0|2,0,0]=4 11542 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [1,1,0,0,0,0|2,0,0]=4 11543 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [1,1,0,0,0,0|2,0,0]=4 11544 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [1,1,0,0,0,0|2,0,0]=4 11545 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [1,1,0,0,0,0|2,0,0]=4 11546 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [1,1,0,0,0,0|2,0,0]=4 11547 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,1,0,0,0,0|1,0,0]=3 11548 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [1,1,0,0,0,0|2,0,0]=4 11549 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [1,1,0,0,0,0|2,0,0]=4 11550 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [1,1,0,0,0,0|2,0,0]=4 11551 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [1,1,0,0,0,0|2,0,0]=4 11552 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,1,0,0,0,0|2,0,0]=4 11553 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [1,1,0,0,0,0|2,0,0]=4 11554 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,1,0,0,0,0|2,0,0]=4 11555 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [1,1,0,0,0,0|2,0,0]=4 11556 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [1,1,0,0,0,0|2,0,0]=4 11557 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [1,1,0,0,0,0|2,0,0]=4 11558 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [1,1,0,0,0,0|2,0,0]=4 11559 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [1,1,0,0,0,0|2,0,0]=4 11560 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [1,1,0,0,0,0|2,0,0]=4 11561 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [1,1,0,0,0,0|2,0,0]=4 11562 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [1,1,0,0,0,0|2,0,0]=4 11563 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [1,1,0,0,0,0|2,0,0]=4 11564 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [1,1,0,0,0,0|2,0,0]=4 11565 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [1,1,0,0,0,0|2,0,0]=4 11566 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [1,1,0,0,0,0|2,0,0]=4 11567 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [1,1,0,0,0,0|2,0,0]=4 11568 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [1,1,0,0,0,0|2,0,0]=4 11569 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [1,1,0,0,0,0|2,0,0]=4 11570 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [1,1,0,0,0,0|2,0,0]=4 11571 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [1,1,0,0,0,0|2,0,0]=4 11572 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [1,1,0,0,0,0|2,0,0]=4 11573 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [1,1,0,0,0,0|2,0,0]=4 11574 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [1,1,0,0,0,0|2,0,0]=4 11575 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [1,1,0,0,0,0|2,0,0]=4 11576 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [1,1,0,0,0,0|2,0,0]=4 11577 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [1,1,0,0,0,0|2,0,0]=4 11578 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [1,1,0,0,0,0|2,0,0]=4 11579 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [1,1,0,0,0,0|2,0,0]=4 11580 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [1,1,0,0,0,0|2,0,0]=4 11581 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [1,1,0,0,0,0|2,0,0]=4 11582 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [1,1,0,0,0,0|2,0,0]=4 11583 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [1,1,0,0,0,0|2,0,0]=4 11584 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [1,1,0,0,0,0|2,0,0]=4 11585 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [1,1,0,0,0,0|2,0,0]=4 11586 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [1,1,0,0,0,0|2,0,0]=4 11587 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [1,1,0,0,0,0|2,0,0]=4 11588 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [1,1,0,0,0,0|2,0,0]=4 11589 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [1,1,0,0,0,0|2,0,0]=4 11590 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [1,1,0,0,0,0|2,0,0]=4 11591 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [1,1,0,0,0,0|2,0,0]=4 11592 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [1,1,0,0,0,0|2,0,0]=4 11593 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [1,1,0,0,0,0|2,0,0]=4 11594 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [1,1,0,0,0,0|2,0,0]=4 11595 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [1,1,0,0,0,0|2,0,0]=4 11596 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [1,1,0,0,0,0|2,0,0]=4 11597 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [1,1,0,0,0,0|2,0,0]=4 11598 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [1,1,0,0,0,0|2,0,0]=4 11599 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [1,1,0,0,0,0|2,0,0]=4 11600 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [1,1,0,0,0,0|2,0,0]=4 11601 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [1,1,0,0,0,0|2,0,0]=4 11602 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [1,1,0,0,0,0|2,0,0]=4 11603 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [1,1,0,0,0,0|2,0,0]=4 11604 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [1,1,0,0,0,0|2,0,0]=4 11605 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [1,1,0,0,0,0|2,0,0]=4 11606 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [1,1,0,0,0,0|2,0,0]=4 11607 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [1,1,0,0,0,0|2,0,0]=4 11608 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [1,1,0,0,0,0|2,0,0]=4 11609 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [1,1,0,0,0,0|1,0,1]=4 11610 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [1,1,0,0,0,0|2,0,0]=4 11611 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [1,1,0,0,0,0|1,0,1]=4 11612 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [1,1,0,0,0,0|2,0,0]=4 11613 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [1,1,0,0,0,0|1,0,1]=4 11614 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [1,1,0,0,0,0|1,0,1]=4 11615 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [1,1,0,0,0,0|1,0,1]=4 11616 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [1,1,0,0,0,0|2,0,0]=4 11617 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [1,1,0,0,0,0|2,0,0]=4 11618 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [1,1,0,0,0,0|2,0,0]=4 11619 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [1,1,0,0,0,0|2,0,0]=4 11620 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [1,1,0,0,0,0|2,0,0]=4 11621 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [1,1,0,0,0,0|2,0,0]=4 11622 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [1,1,0,0,0,0|2,0,0]=4 11623 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [1,1,0,0,0,0|1,0,0]=3 11624 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [1,1,0,0,0,0|1,0,0]=3 11625 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [1,1,0,0,0,0|2,0,0]=4 11626 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [1,1,0,0,0,0|2,0,0]=4 11627 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [1,1,0,0,0,0|1,0,1]=4 11628 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [1,1,0,0,0,0|1,0,1]=4 11629 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [1,1,0,0,0,0|2,0,0]=4 11630 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [1,1,0,0,0,0|2,0,0]=4 11631 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [1,1,0,0,0,0|2,0,0]=4 11632 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [1,1,0,0,0,0|2,0,0]=4 11633 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [1,1,0,0,0,0|2,0,0]=4 11634 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [1,1,0,0,0,0|2,0,0]=4 11635 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [1,1,0,0,0,0|2,0,0]=4 11636 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [1,1,0,0,0,0|2,0,0]=4 11637 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [1,1,0,0,0,0|2,0,0]=4 11638 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [1,1,0,0,0,0|2,0,0]=4 11639 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [1,1,0,0,0,0|2,0,0]=4 11640 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [1,1,0,0,0,0|2,0,0]=4 11641 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [1,1,0,0,0,0|2,0,0]=4 11642 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [1,1,0,0,0,0|2,0,0]=4 11643 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [1,1,0,0,0,0|2,0,0]=4 11644 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [1,1,0,0,0,0|2,0,0]=4 11645 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [1,1,0,0,0,0|2,0,0]=4 11646 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [1,1,0,0,0,0|2,0,0]=4 11647 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [1,1,0,0,0,0|2,0,0]=4 11648 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [1,1,0,0,0,0|2,0,0]=4 11649 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [1,1,0,0,0,0|2,0,0]=4 11650 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [1,1,0,0,0,0|2,0,0]=4 11651 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [1,1,0,0,0,0|2,0,0]=4 11652 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [1,1,0,0,0,0|2,0,0]=4 11653 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [1,1,0,0,0,0|2,0,0]=4 11654 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [1,1,0,0,0,0|2,0,0]=4 11655 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [1,1,0,0,0,0|2,0,0]=4 11656 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [1,1,0,0,0,0|2,0,0]=4 11657 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [1,1,0,0,0,0|2,0,0]=4 11658 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [1,1,0,0,0,0|2,0,0]=4 11659 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [1,1,0,0,0,0|2,0,0]=4 11660 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [1,1,0,0,0,0|2,0,0]=4 11661 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [1,1,0,0,0,0|2,0,0]=4 11662 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [1,1,0,0,0,0|2,0,0]=4 11663 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [1,1,0,0,0,0|2,0,0]=4 11664 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [1,1,0,0,0,0|2,0,0]=4 11665 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [1,1,0,0,0,0|2,0,0]=4 11666 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [1,1,0,0,0,0|2,0,0]=4 11667 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [1,1,0,0,0,0|2,0,0]=4 11668 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [1,1,0,0,0,0|2,0,0]=4 11669 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [1,1,0,0,0,0|2,0,0]=4 11670 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [1,1,0,0,0,0|2,0,0]=4 11671 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [1,1,0,0,0,0|2,0,0]=4 11672 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [1,1,0,0,0,0|2,0,0]=4 11673 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [1,1,0,0,0,0|2,0,0]=4 11674 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [1,1,0,0,0,0|2,0,0]=4 11675 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [1,1,0,0,0,0|2,0,0]=4 11676 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [1,1,0,0,0,0|2,0,0]=4 11677 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [1,1,0,0,0,0|2,0,0]=4 11678 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [1,1,0,0,0,0|2,0,0]=4 11679 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [1,1,0,0,0,0|2,0,0]=4 11680 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [1,1,0,0,0,0|2,0,0]=4 11681 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [1,1,0,0,0,0|2,0,0]=4 11682 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [1,1,0,0,0,0|2,0,0]=4 11683 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,1,0,0,0,0|2,0,0]=4 11684 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,1,0,0,0,0|2,0,0]=4 11685 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [1,1,0,0,0,0|2,0,0]=4 11686 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [1,1,0,0,0,0|2,0,0]=4 11687 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [1,1,0,0,0,0|2,0,0]=4 11688 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [1,1,0,0,0,0|2,0,0]=4 11689 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [1,1,0,0,0,0|2,0,0]=4 11690 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [1,1,0,0,0,0|2,0,0]=4 11691 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [1,1,0,0,0,0|2,0,0]=4 11692 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [1,1,0,0,0,0|2,0,0]=4 11693 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [1,1,0,0,0,0|2,0,0]=4 11694 B10R0.4 O=CCCCCSCC(F)F 62a_100000139335_100011934356 [1,1,0,0,0,0|2,0,0]=4 11695 B10R0.4 O=CCCCCSCC(F)F 62a_100011934356_100000139335 [1,1,0,0,0,0|2,0,0]=4 11696 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,1,0,0,0,0|1,0,0]=3 11697 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [1,1,0,0,0,0|0,0,2]=4 11698 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [1,1,0,0,0,0|1,0,1]=4 11699 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [1,1,0,0,0,0|1,0,1]=4 11700 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [1,1,0,0,0,0|1,0,1]=4 11701 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [1,1,0,0,0,0|1,0,1]=4 11702 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [1,1,0,0,0,0|1,0,1]=4 11703 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [1,1,0,0,0,0|1,0,1]=4 11704 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [1,1,0,0,0,0|1,0,1]=4 11705 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [1,1,0,0,0,0|1,0,1]=4 11706 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [1,1,0,0,0,0|1,0,1]=4 11707 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [1,1,0,0,0,0|0,0,2]=4 11708 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [1,1,0,0,0,0|0,0,2]=4 11709 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [1,1,0,0,0,0|1,0,1]=4 11710 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [1,1,0,0,0,0|1,0,1]=4 11711 B10R0.74 C=CCCCCNC(C)CC 2230a_100000209981_100011215482 [1,1,0,0,0,0|1,0,1]=4 11712 B10R0.74 C=CCCCCNC(C)CC 2230a_100000703577_100000758301 [1,1,0,0,0,0|1,0,1]=4 11713 B10R0.74 C=CCCCCNC(C)CC 34a_100000703577_100011215416 [1,1,0,0,0,0|1,0,1]=4 11714 B10R0.74 C=CCCCCOC(C)CC 34a_100000766645_100011215416 [1,1,0,0,0,0|1,0,1]=4 11715 B10R0.74 C=CCCCCOC(C)CC 7a_100000210228_100011215482 [1,1,0,0,0,0|1,0,1]=4 11716 B10R0.74 C=CCCCCOC(C)CC 7a_100000766645_100000758301 [1,1,0,0,0,0|1,0,1]=4 11717 B10R0.74 C=CCCCCSC(C)CC 62a_100000758301_100011215482 [1,1,0,0,0,0|1,0,1]=4 11718 B10R0.74 C=CCCCCSC(C)CC 62a_100011215482_100000758301 [1,1,0,0,0,0|1,0,1]=4 11719 B10R0.74 C=CCCCNCC(C)CC 2230a_100000700776_100000748023 [1,1,0,0,0,0|1,0,1]=4 11720 B10R0.74 C=CCCCNCC(C)CC 2230a_100020588543_100011713584 [1,1,0,0,0,0|1,0,1]=4 11721 B10R0.74 C=CCCCNCC(C)CC 270004a_100000700776_100000243153 [1,1,0,0,0,0|1,0,1]=4 11722 B10R0.74 C=CCCCNCC(C)CC 34a_100000700776_100000748023 [1,1,0,0,0,0|1,0,1]=4 11723 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [1,1,0,0,0,0|1,0,1]=4 11724 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [1,1,0,0,0,0|1,0,1]=4 11725 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [1,1,0,0,0,0|1,0,1]=4 11726 B10R0.74 C=CCCCNC[C@@H](C)CC 2230a_100000700776_100009816398 [1,1,0,0,0,0|1,0,1]=4 11727 B10R0.74 C=CCCCNC[C@@H](C)CC 34a_100000700776_100009816398 [1,1,0,0,0,0|1,0,1]=4 11728 B10R0.74 C=CCCCOCC(C)CC 34a_100000758997_100000748023 [1,1,0,0,0,0|1,0,1]=4 11729 B10R0.74 C=CCCCOCC(C)CC 7a_100000758997_100000748023 [1,1,0,0,0,0|1,0,1]=4 11730 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [1,1,0,0,0,0|1,0,1]=4 11731 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [1,1,0,0,0,0|1,0,1]=4 11732 B10R0.74 C=CCCCOC[C@@H](C)CC 34a_100000758997_100009816398 [1,1,0,0,0,0|1,0,1]=4 11733 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100000758997_100009816398 [1,1,0,0,0,0|1,0,1]=4 11734 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100009816381_100000757094 [1,1,0,0,0,0|1,0,1]=4 11735 B10R0.74 C=CCCCSCC(C)CC 62a_100000748023_100000757094 [1,1,0,0,0,0|1,0,1]=4 11736 B10R0.74 C=CCCCSCC(C)CC 62a_100011713584_100000748023 [1,1,0,0,0,0|1,0,1]=4 11737 B10R0.74 C=CCCCSCC(O)CC 62a_100011218378_100000757094 [1,1,0,0,0,0|1,0,1]=4 11738 B10R0.74 C=CCCCSCC(O)CC 62a_100011713584_100011218378 [1,1,0,0,0,0|1,0,1]=4 11739 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100009816398_100000757094 [1,1,0,0,0,0|1,0,1]=4 11740 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100011713584_100009816398 [1,1,0,0,0,0|1,0,1]=4 11741 B10R0.74 C=CCCNCCC(C)CC 2230a_100020591266_100000754431 [1,1,0,0,0,0|1,0,1]=4 11742 B10R0.74 C=CCCOCCC(C)CC 7a_100011215188_100000754431 [1,1,0,0,0,0|1,0,1]=4 11743 B10R0.74 C=CCOCCCC(C)CC 7a_100011216074_100015514636 [1,1,0,0,0,0|1,0,1]=4 11744 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [1,1,0,0,0,0|1,0,1]=4 11745 B10R0.74 CC(CF)OCCCCC=O 7a_100016041109_100000139335 [1,1,0,0,0,0|2,0,0]=4 11746 B10R0.74 CC(CO)SCCCCC=O 62a_100012180447_100000139335 [1,1,0,0,0,0|2,0,0]=4 11747 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [1,1,0,0,0,0|1,0,1]=4 11748 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [1,1,0,0,0,0|0,0,2]=4 11749 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [1,1,0,0,0,0|0,0,2]=4 11750 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [1,1,0,0,0,0|1,0,1]=4 11751 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [1,1,0,0,0,0|1,0,1]=4 11752 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [1,1,0,0,0,0|1,0,1]=4 11753 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [1,1,0,0,0,0|1,0,1]=4 11754 B10R0.74 CCC(C)CCCOCC=O 7a_100011216074_200015260668 [1,1,0,0,0,0|1,0,0]=3 11755 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [1,1,0,0,0,0|2,0,0]=4 11756 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [1,1,0,0,0,0|1,0,1]=4 11757 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [1,1,0,0,0,0|2,0,0]=4 11758 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [1,1,0,0,0,0|1,0,1]=4 11759 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [1,1,0,0,0,0|2,0,0]=4 11760 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [1,1,0,0,0,0|1,0,1]=4 11761 B10R0.74 CCC(C)CNCCCC=O 2230a_100020588543_200011292268 [1,1,0,0,0,0|1,0,0]=3 11762 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [1,1,0,0,0,0|2,0,0]=4 11763 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [1,1,0,0,0,0|1,0,1]=4 11764 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [1,1,0,0,0,0|1,0,1]=4 11765 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [1,1,0,0,0,0|1,0,1]=4 11766 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [1,1,0,0,0,0|1,0,1]=4 11767 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [1,1,0,0,0,0|2,0,0]=4 11768 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [1,1,0,0,0,0|2,0,0]=4 11769 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [1,1,0,0,0,0|2,0,0]=4 11770 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [1,1,0,0,0,0|2,0,0]=4 11771 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [1,1,0,0,0,0|2,0,0]=4 11772 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [1,1,0,0,0,0|2,0,0]=4 11773 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [1,1,0,0,0,0|2,0,0]=4 11774 B10R0.74 CCC(C)CSCCCC=O 62a_100000748023_200011292268 [1,1,0,0,0,0|1,0,0]=3 11775 B10R0.74 CCC(C)CSCCCC=O 62a_200011292268_100000748023 [1,1,0,0,0,0|1,0,0]=3 11776 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [1,1,0,0,0,0|2,0,0]=4 11777 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [1,1,0,0,0,0|2,0,0]=4 11778 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [1,1,0,0,0,0|1,0,1]=4 11779 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [1,1,0,0,0,0|1,0,1]=4 11780 B10R0.74 CCC(C)NCCCCC=O 2230a_100000209981_100000139335 [1,1,0,0,0,0|1,0,0]=3 11781 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [1,1,0,0,0,0|2,0,0]=4 11782 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [1,1,0,0,0,0|1,0,1]=4 11783 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [1,1,0,0,0,0|1,0,1]=4 11784 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [1,1,0,0,0,0|1,0,1]=4 11785 B10R0.74 CCC(C)OCCCCC=O 7a_100000210228_100000139335 [1,1,0,0,0,0|1,0,0]=3 11786 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [1,1,0,0,0,0|2,0,0]=4 11787 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [1,1,0,0,0,0|2,0,0]=4 11788 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [1,1,0,0,0,0|2,0,0]=4 11789 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [1,1,0,0,0,0|2,0,0]=4 11790 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [1,1,0,0,0,0|2,0,0]=4 11791 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [1,1,0,0,0,0|2,0,0]=4 11792 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [1,1,0,0,0,0|2,0,0]=4 11793 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [1,1,0,0,0,0|2,0,0]=4 11794 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [1,1,0,0,0,0|1,0,1]=4 11795 B10R0.74 CCC(C)SCCCCC=O 62a_100000139335_100000758301 [1,1,0,0,0,0|1,0,0]=3 11796 B10R0.74 CCC(C)SCCCCC=O 62a_100000758301_100000139335 [1,1,0,0,0,0|1,0,0]=3 11797 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [1,1,0,0,0,0|2,0,0]=4 11798 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [1,1,0,0,0,0|2,0,0]=4 11799 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [1,1,0,0,0,0|1,0,1]=4 11800 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [1,1,0,0,0,0|1,0,1]=4 11801 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [1,1,0,0,0,0|1,0,0]=3 11802 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [1,1,0,0,0,0|2,0,0]=4 11803 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [1,1,0,0,0,0|1,0,1]=4 11804 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [1,1,0,0,0,0|1,0,1]=4 11805 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [1,1,0,0,0,0|1,0,1]=4 11806 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [1,1,0,0,0,0|2,0,0]=4 11807 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [1,1,0,0,0,0|2,0,0]=4 11808 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [1,1,0,0,0,0|2,0,0]=4 11809 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [1,1,0,0,0,0|2,0,0]=4 11810 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [1,1,0,0,0,0|2,0,0]=4 11811 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [1,1,0,0,0,0|2,0,0]=4 11812 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [1,1,0,0,0,0|2,0,0]=4 11813 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [1,1,0,0,0,0|1,0,0]=3 11814 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [1,1,0,0,0,0|1,0,0]=3 11815 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [1,1,0,0,0,0|2,0,0]=4 11816 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [1,1,0,0,0,0|2,0,0]=4 11817 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [1,1,0,0,0,0|1,0,1]=4 11818 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [1,1,0,0,0,0|1,0,1]=4 11819 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,1,0,0,0,0|0,0,2]=4 11820 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,1,0,0,0,0|0,0,2]=4 11821 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [1,1,0,0,0,0|1,0,1]=4 11822 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,1,0,0,0,0|0,0,2]=4 11823 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [1,1,0,0,0,0|1,0,1]=4 11824 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [1,1,0,0,0,0|1,0,1]=4 11825 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [1,1,0,0,0,0|1,0,1]=4 11826 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [1,1,0,0,0,0|1,0,1]=4 11827 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [1,1,0,0,0,0|1,0,1]=4 11828 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [1,1,0,0,0,0|1,0,1]=4 11829 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [1,1,0,0,0,0|1,0,1]=4 11830 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [1,1,0,0,0,0|1,0,1]=4 11831 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [1,1,0,0,0,0|1,0,1]=4 11832 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [1,1,0,0,0,0|1,0,1]=4 11833 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [1,1,0,0,0,0|1,0,1]=4 11834 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [1,1,0,0,0,0|1,0,1]=4 11835 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [1,1,0,0,0,0|1,0,1]=4 11836 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [1,1,0,0,0,0|1,0,1]=4 11837 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [1,1,0,0,0,0|1,0,1]=4 11838 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [1,1,0,0,0,0|1,0,1]=4 11839 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [1,1,0,0,0,0|1,0,1]=4 11840 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [1,1,0,0,0,0|1,0,1]=4 11841 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [1,1,0,0,0,0|1,0,1]=4 11842 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [1,1,0,0,0,0|2,0,0]=4 11843 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [1,1,0,0,0,0|1,0,1]=4 11844 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [1,1,0,0,0,0|1,0,1]=4 11845 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [1,1,0,0,0,0|1,0,1]=4 11846 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [1,1,0,0,0,0|1,0,1]=4 11847 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [1,1,0,0,0,0|1,0,1]=4 11848 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [1,1,0,0,0,0|1,0,1]=4 11849 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [1,1,0,0,0,0|1,0,1]=4 11850 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [1,1,0,0,0,0|1,0,1]=4 11851 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [1,1,0,0,0,0|1,0,1]=4 11852 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [1,1,0,0,0,0|2,0,0]=4 11853 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [1,1,0,0,0,0|2,0,0]=4 11854 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [1,1,0,0,0,0|2,0,0]=4 11855 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [1,1,0,0,0,0|1,0,1]=4 11856 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [1,1,0,0,0,0|1,0,1]=4 11857 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [1,1,0,0,0,0|1,0,1]=4 11858 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [1,1,0,0,0,0|1,0,1]=4 11859 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [1,1,0,0,0,0|1,0,1]=4 11860 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [1,1,0,0,0,0|1,0,1]=4 11861 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [1,1,0,0,0,0|1,0,1]=4 11862 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [1,1,0,0,0,0|1,0,1]=4 11863 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [1,1,0,0,0,0|1,0,1]=4 11864 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [1,1,0,0,0,0|1,0,1]=4 11865 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [1,1,0,0,0,0|1,0,1]=4 11866 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [1,1,0,0,0,0|1,0,1]=4 11867 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [1,1,0,0,0,0|1,0,1]=4 11868 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [1,1,0,0,0,0|1,0,1]=4 11869 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [1,1,0,0,0,0|1,0,1]=4 11870 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [1,1,0,0,0,0|1,0,1]=4 11871 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [1,1,0,0,0,0|1,0,1]=4 11872 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [1,1,0,0,0,0|2,0,0]=4 11873 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [1,1,0,0,0,0|1,0,1]=4 11874 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [1,1,0,0,0,0|1,0,1]=4 11875 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [1,1,0,0,0,0|1,0,1]=4 11876 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [1,1,0,0,0,0|1,0,1]=4 11877 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [1,1,0,0,0,0|2,0,0]=4 11878 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [1,1,0,0,0,0|2,0,0]=4 11879 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [1,1,0,0,0,0|1,0,1]=4 11880 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [1,1,0,0,0,0|1,0,1]=4 11881 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [1,1,0,0,0,0|1,0,1]=4 11882 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [1,1,0,0,0,0|1,0,1]=4 11883 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [1,1,0,0,0,0|1,0,1]=4 11884 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [1,1,0,0,0,0|1,0,1]=4 11885 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [1,1,0,0,0,0|1,0,1]=4 11886 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [1,1,0,0,0,0|1,0,1]=4 11887 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [1,1,0,0,0,0|1,0,1]=4 11888 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [1,1,0,0,0,0|2,0,0]=4 11889 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [1,1,0,0,0,0|2,0,0]=4 11890 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [1,1,0,0,0,0|1,0,1]=4 11891 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [1,1,0,0,0,0|1,0,1]=4 11892 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [1,1,0,0,0,0|2,0,0]=4 11893 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [1,1,0,0,0,0|1,0,1]=4 11894 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [1,1,0,0,0,0|1,0,1]=4 11895 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [1,1,0,0,0,0|1,0,1]=4 11896 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [1,1,0,0,0,0|1,0,1]=4 11897 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [1,1,0,0,0,0|1,0,1]=4 11898 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [1,1,0,0,0,0|1,0,1]=4 11899 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [1,1,0,0,0,0|1,0,1]=4 11900 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [1,1,0,0,0,0|1,0,1]=4 11901 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [1,1,0,0,0,0|1,0,1]=4 11902 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [1,1,0,0,0,0|1,0,1]=4 11903 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [1,1,0,0,0,0|2,0,0]=4 11904 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [1,1,0,0,0,0|2,0,0]=4 11905 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [1,1,0,0,0,0|1,0,1]=4 11906 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [1,1,0,0,0,0|1,0,1]=4 11907 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [1,1,0,0,0,0|1,0,1]=4 11908 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [1,1,0,0,0,0|1,0,1]=4 11909 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [1,1,0,0,0,0|1,0,1]=4 11910 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [1,1,0,0,0,0|1,0,1]=4 11911 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [1,1,0,0,0,0|1,0,1]=4 11912 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [1,1,0,0,0,0|2,0,0]=4 11913 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [1,1,0,0,0,0|1,0,0]=3 11914 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [1,1,0,0,0,0|1,0,0]=3 11915 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [1,1,0,0,0,0|2,0,0]=4 11916 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [1,1,0,0,0,0|2,0,0]=4 11917 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [1,1,0,0,0,0|1,0,1]=4 11918 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [1,1,0,0,0,0|1,0,1]=4 11919 B10R0.74 CCN(C)CCCSCC=O 62a_200015260668_100015186262 [1,1,0,0,0,0|2,0,0]=4 11920 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [1,1,0,0,0,0|1,0,1]=4 11921 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [1,1,0,0,0,0|1,0,1]=4 11922 B10R0.74 CC[C@H](C)COCCCC=O 7a_100009816381_200011292268 [1,1,0,0,0,0|1,0,0]=3 11923 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [1,1,0,0,0,0|2,0,0]=4 11924 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [1,1,0,0,0,0|2,0,0]=4 11925 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [1,1,0,0,0,0|2,0,0]=4 11926 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [1,1,0,0,0,0|2,0,0]=4 11927 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [1,1,0,0,0,0|2,0,0]=4 11928 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [1,1,0,0,0,0|2,0,0]=4 11929 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [1,1,0,0,0,0|2,0,0]=4 11930 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [1,1,0,0,0,0|2,0,0]=4 11931 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [1,1,0,0,0,0|1,0,1]=4 11932 B10R0.74 CC[C@H](C)CSCCCC=O 62a_100009816398_200011292268 [1,1,0,0,0,0|1,0,0]=3 11933 B10R0.74 CC[C@H](C)CSCCCC=O 62a_200011292268_100009816398 [1,1,0,0,0,0|1,0,0]=3 11934 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [1,1,0,0,0,0|2,0,0]=4 11935 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [1,1,0,0,0,0|2,0,0]=4 11936 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [1,1,0,0,0,0|1,0,1]=4 11937 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [1,1,0,0,0,0|1,0,1]=4 11938 B10R0.74 COC(C)SCCCCC=O 62a_100000139335_100009879195 [1,1,0,0,0,0|2,0,0]=4 11939 B10R0.74 COC(C)SCCCCC=O 62a_100009879195_100000139335 [1,1,0,0,0,0|2,0,0]=4 11940 B10R0.74 CO[C@H](C)CNCCCC=O 2230a_100020591295_200011292268 [1,1,0,0,0,0|2,0,0]=4 11941 B10R0.74 C[C@@H](CN)CCCOCC=O 34a_100160569302_200009817547 [1,1,0,0,0,0|2,0,0]=4 11942 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_100000059175_200011292268 [1,1,0,0,0,0|2,0,0]=4 11943 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_200011292268_100000059175 [1,1,0,0,0,0|2,0,0]=4 11944 B10R0.74 C[C@H](CO)NCCCCC=O 2230a_100000737577_100000139335 [1,1,0,0,0,0|2,0,0]=4 11945 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100000139335_100016084084 [1,1,0,0,0,0|2,0,0]=4 11946 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100016084084_100000139335 [1,1,0,0,0,0|2,0,0]=4 11947 B10R0.74 O=CCCCNC[C@H](O)CO 2230a_100020644852_200011292268 [1,1,0,0,0,0|2,0,0]=4 11948 B10R0.74 O=CCCCSCC(O)CO 62a_100011219619_200011292268 [1,1,0,0,0,0|2,0,0]=4 11949 B10R0.74 O=CCCCSCC(O)CO 62a_200011292268_100011219619 [1,1,0,0,0,0|2,0,0]=4 11950 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_100015614560_200011292268 [1,1,0,0,0,0|2,0,0]=4 11951 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_200011292268_100015614560 [1,1,0,0,0,0|2,0,0]=4 11952 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_100009815848_200011292268 [1,1,0,0,0,0|2,0,0]=4 11953 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_200011292268_100009815848 [1,1,0,0,0,0|2,0,0]=4 11954 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [1,1,0,0,0,0|0,0,2]=4 11955 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [1,1,0,0,0,0|0,0,2]=4 11956 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [1,1,0,0,0,0|1,0,1]=4 11957 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [1,1,0,0,0,0|1,0,1]=4 11958 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [1,1,0,0,0,0|1,0,1]=4 11959 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [1,1,0,0,0,0|0,0,2]=4 11960 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [1,1,0,0,0,0|0,0,2]=4 11961 B10R0.91 C=CCCCN(C)CCCC 2230a_100000207549_100011713584 [1,1,0,0,0,0|1,0,1]=4 11962 B10R0.91 C=CCCCN(C)CCCC 269982a_100000207549_100000757094 [1,1,0,0,0,0|1,0,1]=4 11963 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [1,1,0,0,0,0|1,0,1]=4 11964 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [1,1,0,0,0,0|1,0,1]=4 11965 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [1,1,0,0,0,0|1,0,1]=4 11966 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [1,1,0,0,0,0|1,0,1]=4 11967 B10R0.91 C=CCCNC(C)CCCC 2230a_100000126638_100000754431 [1,1,0,0,0,0|1,0,1]=4 11968 B10R0.91 C=CCCNC(C)CCCC 2230a_100015191253_200011215066 [1,1,0,0,0,0|1,0,1]=4 11969 B10R0.91 C=CCCNC(C)CCCC 270004a_100015191253_100000210087 [1,1,0,0,0,0|1,0,1]=4 11970 B10R0.91 C=CCCOC(C)CCCC 34a_100000687866_100000754431 [1,1,0,0,0,0|1,0,1]=4 11971 B10R0.91 C=CCCOC(C)CCCC 34a_100011205117_200011215066 [1,1,0,0,0,0|1,0,1]=4 11972 B10R0.91 C=CCCOC(C)CCCC 7a_100000687866_100000754431 [1,1,0,0,0,0|1,0,1]=4 11973 B10R0.91 C=CCCSC(C)CCCC 62a_100000754431_200011215066 [1,1,0,0,0,0|1,0,1]=4 11974 B10R0.91 C=CCCSC(C)CCCC 62a_200011215066_100000754431 [1,1,0,0,0,0|1,0,1]=4 11975 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [1,1,0,0,0,0|1,0,1]=4 11976 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [1,1,0,0,0,0|1,0,1]=4 11977 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [1,1,0,0,0,0|1,0,1]=4 11978 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [1,1,0,0,0,0|1,0,1]=4 11979 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [1,1,0,0,0,0|1,0,1]=4 11980 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [1,1,0,0,0,0|1,0,1]=4 11981 B10R0.91 C=CCOCC(C)CCCC 34a_100011995851_100015514636 [1,1,0,0,0,0|1,0,1]=4 11982 B10R0.91 C=CCOCC(C)CCCC 7a_100011995851_100015514636 [1,1,0,0,0,0|1,0,1]=4 11983 B10R0.91 C=CCOC[C@@H](N)CCCC 34a_100011934283_100015514636 [1,1,0,0,0,0|1,0,1]=4 11984 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [1,1,0,0,0,0|1,0,1]=4 11985 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [1,1,0,0,0,0|1,0,1]=4 11986 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [1,1,0,0,0,0|1,0,1]=4 11987 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [1,1,0,0,0,0|0,0,2]=4 11988 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [1,1,0,0,0,0|0,0,2]=4 11989 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [1,1,0,0,0,0|1,0,0]=3 11990 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [1,1,0,0,0,0|1,0,0]=3 11991 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [1,1,0,0,0,0|1,0,1]=4 11992 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [1,1,0,0,0,0|1,0,1]=4 11993 B10R0.91 CCCCC(C)COCCF 34a_100011995851_100011217306 [1,1,0,0,0,0|2,0,0]=4 11994 B10R0.91 CCCCC(C)COCCF 7a_100011995851_100011217306 [1,1,0,0,0,0|2,0,0]=4 11995 B10R0.91 CCCCC(C)COCCO 34a_100011995851_100000211926 [1,1,0,0,0,0|1,0,1]=4 11996 B10R0.91 CCCCC(C)COCCO 7a_100011995851_100000211926 [1,1,0,0,0,0|1,0,1]=4 11997 B10R0.91 CCCCC(C)NCCCF 2230a_100000126638_100011934791 [1,1,0,0,0,0|2,0,0]=4 11998 B10R0.91 CCCCC(C)NCCCF 2230a_100015189416_200011215066 [1,1,0,0,0,0|2,0,0]=4 11999 B10R0.91 CCCCC(C)NCCCF 270004a_100015189416_100000210087 [1,1,0,0,0,0|2,0,0]=4 12000 B10R0.91 CCCCC(C)NCCCF 34a_100015189416_200011215066 [1,1,0,0,0,0|2,0,0]=4 12001 B10R0.91 CCCCC(C)NCCCO 2230a_100000126638_100000230001 [1,1,0,0,0,0|1,0,1]=4 12002 B10R0.91 CCCCC(C)NCCCO 270004a_100000182051_100000210087 [1,1,0,0,0,0|1,0,1]=4 12003 B10R0.91 CCCCC(C)OCCCBr 34a_100011217188_200011215066 [1,1,0,0,0,0|2,0,0]=4 12004 B10R0.91 CCCCC(C)OCCCCl 34a_100000230001_200011215066 [1,1,0,0,0,0|2,0,0]=4 12005 B10R0.91 CCCCC(C)OCCCF 34a_100000687866_100011934791 [1,1,0,0,0,0|2,0,0]=4 12006 B10R0.91 CCCCC(C)OCCCF 34a_100000759539_200011215066 [1,1,0,0,0,0|2,0,0]=4 12007 B10R0.91 CCCCC(C)OCCCF 7a_100000687866_100011934791 [1,1,0,0,0,0|2,0,0]=4 12008 B10R0.91 CCCCC(C)OCCCN 34a_100000182051_200011215066 [1,1,0,0,0,0|2,0,0]=4 12009 B10R0.91 CCCCC(C)OCCCO 34a_100000687866_100000230001 [1,1,0,0,0,0|1,0,1]=4 12010 B10R0.91 CCCCC(C)OCCCO 7a_100000687866_100011215043 [1,1,0,0,0,0|1,0,1]=4 12011 B10R0.91 CCCCC(C)SCCCF 62a_100011934791_200011215066 [1,1,0,0,0,0|2,0,0]=4 12012 B10R0.91 CCCCC(C)SCCCF 62a_200011215066_100011934791 [1,1,0,0,0,0|2,0,0]=4 12013 B10R0.91 CCCCC(C)SCCCO 62a_100011215043_200011215066 [1,1,0,0,0,0|1,0,1]=4 12014 B10R0.91 CCCCC(C)SCCCO 62a_200011215066_100011215043 [1,1,0,0,0,0|1,0,1]=4 12015 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,1,0,0,0,0|0,0,2]=4 12016 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,1,0,0,0,0|0,0,2]=4 12017 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [1,1,0,0,0,0|1,0,1]=4 12018 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,1,0,0,0,0|0,0,2]=4 12019 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [1,1,0,0,0,0|1,0,0]=3 12020 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [1,1,0,0,0,0|1,0,1]=4 12021 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [1,1,0,0,0,0|1,0,1]=4 12022 B10R0.91 CCCCCC(C)NCCF 2230a_100000211957_100011217306 [1,1,0,0,0,0|2,0,0]=4 12023 B10R0.91 CCCCCC(C)NCCF 34a_100000724931_200011218191 [1,1,0,0,0,0|2,0,0]=4 12024 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [1,1,0,0,0,0|1,0,1]=4 12025 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [1,1,0,0,0,0|1,0,1]=4 12026 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [1,1,0,0,0,0|1,0,1]=4 12027 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [1,1,0,0,0,0|1,0,1]=4 12028 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [1,1,0,0,0,0|1,0,0]=3 12029 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [1,1,0,0,0,0|1,0,0]=3 12030 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [1,1,0,0,0,0|2,0,0]=4 12031 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [1,1,0,0,0,0|1,0,1]=4 12032 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [1,1,0,0,0,0|1,0,1]=4 12033 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [1,1,0,0,0,0|1,0,1]=4 12034 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [1,1,0,0,0,0|2,0,0]=4 12035 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [1,1,0,0,0,0|2,0,0]=4 12036 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [1,1,0,0,0,0|2,0,0]=4 12037 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [1,1,0,0,0,0|1,0,1]=4 12038 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [1,1,0,0,0,0|1,0,1]=4 12039 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [1,1,0,0,0,0|1,0,0]=3 12040 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [1,1,0,0,0,0|1,0,0]=3 12041 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [1,1,0,0,0,0|1,0,1]=4 12042 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [1,1,0,0,0,0|1,0,1]=4 12043 B10R0.91 CCCCCC(C)SCCF 62a_100011217306_200011218191 [1,1,0,0,0,0|2,0,0]=4 12044 B10R0.91 CCCCCC(C)SCCF 62a_200011218191_100011217306 [1,1,0,0,0,0|2,0,0]=4 12045 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [1,1,0,0,0,0|1,0,1]=4 12046 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [1,1,0,0,0,0|1,0,1]=4 12047 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [1,1,0,0,0,0|1,0,1]=4 12048 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [1,1,0,0,0,0|1,0,1]=4 12049 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [1,1,0,0,0,0|1,0,1]=4 12050 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [1,1,0,0,0,0|1,0,1]=4 12051 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [1,1,0,0,0,0|2,0,0]=4 12052 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [1,1,0,0,0,0|2,0,0]=4 12053 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [1,1,0,0,0,0|1,0,1]=4 12054 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [1,1,0,0,0,0|1,0,1]=4 12055 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [1,1,0,0,0,0|1,0,1]=4 12056 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [1,1,0,0,0,0|1,0,1]=4 12057 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [1,1,0,0,0,0|1,0,0]=3 12058 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [1,1,0,0,0,0|1,0,0]=3 12059 B10R0.91 CCCCN(C)CCCCF 2230a_100000207549_100000729493 [1,1,0,0,0,0|2,0,0]=4 12060 B10R0.91 CCCCN(C)CCCCF 269982a_100000207549_100000729493 [1,1,0,0,0,0|2,0,0]=4 12061 B10R0.91 CCCCN(C)CCCCO 2230a_100000207549_100000210776 [1,1,0,0,0,0|1,0,1]=4 12062 B10R0.91 CCCCN(C)CCCCO 2230a_100000717598_100000210211 [1,1,0,0,0,0|1,0,1]=4 12063 B10R0.91 CCCCN(C)CCCCO 2230a_200011216965_200000210301 [1,1,0,0,0,0|1,0,1]=4 12064 B10R0.91 CCCCN(C)CCCCO 269982a_100000207549_100000210776 [1,1,0,0,0,0|1,0,1]=4 12065 B10R0.91 CCCCN(C)CCCCO 269982a_100000717598_100000210211 [1,1,0,0,0,0|1,0,1]=4 12066 B10R0.91 CCCCN(C)CCCCO 269982a_200011216965_200000210301 [1,1,0,0,0,0|1,0,1]=4 12067 B10R0.91 CCCCN([13CH3])CCCCO 2230a_200011216965_200025704644 [1,1,0,0,0,0|1,0,1]=4 12068 B10R0.91 CCCCN([13CH3])CCCCO 269982a_200011216965_200025704644 [1,1,0,0,0,0|1,0,1]=4 12069 B10R0.91 CCCCNC(C)CCCC 2230a_100000102301_200011215066 [1,1,0,0,0,0|1,0,1]=4 12070 B10R0.91 CCCCNC(C)CCCC 2230a_100000126638_100000210211 [1,1,0,0,0,0|1,0,1]=4 12071 B10R0.91 CCCCNC(C)CCCC 270004a_100000102301_100000210087 [1,1,0,0,0,0|1,0,1]=4 12072 B10R0.91 CCCCNC(C)CCCC 7a_106832991798_200011215066 [1,1,0,0,0,0|1,0,1]=4 12073 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [1,1,0,0,0,0|1,0,1]=4 12074 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [1,1,0,0,0,0|1,0,1]=4 12075 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [1,1,0,0,0,0|1,0,1]=4 12076 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [1,1,0,0,0,0|1,0,1]=4 12077 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [1,1,0,0,0,0|2,0,0]=4 12078 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [1,1,0,0,0,0|2,0,0]=4 12079 B10R0.91 CCCCSC(C)CCCC 62a_100000210211_200011215066 [1,1,0,0,0,0|1,0,1]=4 12080 B10R0.91 CCCCSC(C)CCCC 62a_200011215066_100000210210 [1,1,0,0,0,0|1,0,1]=4 12081 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [1,1,0,0,0,0|1,0,0]=3 12082 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [1,1,0,0,0,0|1,0,1]=4 12083 B10R0.91 CCCC[C@H](N)COCCF 34a_100011934283_100011217306 [1,1,0,0,0,0|2,0,0]=4 12084 B10R0.91 CCCC[C@H](N)COCCO 34a_100011934283_100000211926 [1,1,0,0,0,0|1,0,1]=4 12085 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [1,1,0,0,0,0|1,0,1]=4 12086 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [1,1,0,0,0,0|1,0,1]=4 12087 B10R0.91 CCCOC(C)CNCC=O 2230a_100015185124_200015260668 [1,1,0,0,0,0|2,0,0]=4 12088 B10R0.91 CCCOC(C)CNCC=O 34a_100015185124_200009817547 [1,1,0,0,0,0|2,0,0]=4 12089 B10R0.91 CCOCC(O)CNCC=O 2230a_102515437182_200015260668 [1,1,0,0,0,0|2,0,0]=4 12090 B10R0.91 CCOCC(O)CNCC=O 34a_102515437182_200009817547 [1,1,0,0,0,0|2,0,0]=4 12091 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [1,1,0,0,0,0|2,0,0]=4 12092 B10R0.91 CN(CCCO)CCCC=O 2230a_100000213112_200011292268 [1,1,0,0,0,0|2,0,0]=4 12093 B10R0.91 CN(CCCO)CCCC=O 269982a_100000213112_200011292268 [1,1,0,0,0,0|2,0,0]=4 12094 B10R0.91 COCCCC(C)OCC=O 34a_200011539412_200009817547 [1,1,0,0,0,0|2,0,0]=4 12095 B10R0.91 COCCCC(C)OCC=O 7a_200011539412_200015260668 [1,1,0,0,0,0|2,0,0]=4 12096 B10R0.91 COCCN(C)CCCC=O 2230a_100000743101_200011292268 [1,1,0,0,0,0|2,0,0]=4 12097 B10R0.91 COCCN(C)CCCC=O 269982a_100000743101_200011292268 [1,1,0,0,0,0|2,0,0]=4 12098 B10R0.91 CSCCN(C)CCCC=O 2230a_100000686725_200011292268 [1,1,0,0,0,0|2,0,0]=4 12099 B10R0.91 CSCCN(C)CCCC=O 269982a_100000686725_200011292268 [1,1,0,0,0,0|2,0,0]=4 12100 B10R0.91 CSCC[C@H](N)COCC=O 34a_100011827619_200009817547 [1,1,0,0,0,0|2,0,0]=4 12101 B10R0.91 C[C@H](CCCO)CNCC=O 2230a_100160569302_200015260668 [1,1,0,0,0,0|2,0,0]=4 12102 B10R0.91 C[C@H](CCCO)CNCC=O 34a_100160569302_200009817547 [1,1,0,0,0,0|2,0,0]=4 12103 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,2,0,0,0,0|1,0,1]=4 12104 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,2,0,0,0,0|1,0,1]=4 12105 B12R0.1 C#CCC(C)OCCCCCC=O 7a_100000685586_100000139337 [0,2,0,0,0,0|0,0,2]=4 12106 B12R0.1 C#CCC(C)OCCCCCCC 34a_100000685586_100000210614 [0,2,0,0,0,0|1,0,1]=4 12107 B12R0.1 C#CCC(C)OCCCCCCC 7a_100000685586_100000210614 [0,2,0,0,0,0|1,0,1]=4 12108 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [0,2,0,0,0,0|1,0,1]=4 12109 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [0,2,0,0,0,0|1,0,1]=4 12110 B12R0.1 C#CCCCCCCN(C)CCC 2230a_100000747261_100012276617 [0,2,0,0,0,0|1,0,1]=4 12111 B12R0.1 C#CCCCCCCN(C)CCC 269982a_100000747261_100012276617 [0,2,0,0,0,0|1,0,1]=4 12112 B12R0.1 C#CCCCCCNC(C)CCC 2230a_100000741246_100012094781 [0,2,0,0,0,0|1,0,1]=4 12113 B12R0.1 C#CCCCCCOC(C)CCC 34a_100000764384_100012094781 [0,2,0,0,0,0|1,0,1]=4 12114 B12R0.1 C#CCCCCCOC(C)CCC 34a_100000766912_100000766640 [0,2,0,0,0,0|1,0,1]=4 12115 B12R0.1 C#CCCCCCOC(C)CCC 7a_100000764384_100012094781 [0,2,0,0,0,0|1,0,1]=4 12116 B12R0.1 C#CCCCCCOC(C)CCC 7a_100000766912_100000766640 [0,2,0,0,0,0|1,0,1]=4 12117 B12R0.1 C#CCCCCCSC(C)CCC 62a_100000766640_100012094781 [0,2,0,0,0,0|1,0,1]=4 12118 B12R0.1 C#CCCCCCSC(C)CCC 62a_100012094781_100000766640 [0,2,0,0,0,0|1,0,1]=4 12119 B12R0.1 C#CCCCCNCC(C)CCC 2230a_100000706060_100011216630 [0,2,0,0,0,0|1,0,1]=4 12120 B12R0.1 C#CCCCCNCC(C)CCC 34a_100000706060_100011216630 [0,2,0,0,0,0|1,0,1]=4 12121 B12R0.1 C#CCCCCOCC(C)CCC 34a_100000688023_100010269958 [0,2,0,0,0,0|1,0,1]=4 12122 B12R0.1 C#CCCCCOCC(C)CCC 34a_100000766709_100011216630 [0,2,0,0,0,0|1,0,1]=4 12123 B12R0.1 C#CCCCCOCC(C)CCC 7a_100000688023_100010269958 [0,2,0,0,0,0|1,0,1]=4 12124 B12R0.1 C#CCCCCOCC(C)CCC 7a_100000766709_100011216630 [0,2,0,0,0,0|1,0,1]=4 12125 B12R0.1 C#CCCCCOC[C@@H](N)CCC 34a_100000732646_100010269958 [0,2,0,0,0,0|1,0,1]=4 12126 B12R0.1 C#CCCCCSCC(C)CCC 62a_100010269958_100011216630 [0,2,0,0,0,0|1,0,1]=4 12127 B12R0.1 C#CCCCCSCC(C)CCC 62a_100011216630_100010269958 [0,2,0,0,0,0|1,0,1]=4 12128 B12R0.1 C#CCCCOCCC(C)CCC 34a_100011217855_100000695029 [0,2,0,0,0,0|1,0,1]=4 12129 B12R0.1 C#CCCCOCCC(C)CCC 7a_100011217855_100011215417 [0,2,0,0,0,0|1,0,1]=4 12130 B12R0.1 C#CCCCOCC[C@@H](N)CCC 34a_100015193777_100000695029 [0,2,0,0,0,0|1,0,1]=4 12131 B12R0.1 C#CCCOCCCC(C)CCC 34a_100011713154_100000688953 [0,2,0,0,0,0|1,0,1]=4 12132 B12R0.1 C#CCCOCCCC(C)CCC 7a_100011713154_100000688953 [0,2,0,0,0,0|1,0,1]=4 12133 B12R0.1 C#CCN(C)CCCCCCCC 2230a_100000207567_100000038162 [0,2,0,0,0,0|1,0,1]=4 12134 B12R0.1 C#CCN(C)CCCCCCCC 2230a_100000225692_100000210759 [0,2,0,0,0,0|1,0,1]=4 12135 B12R0.1 C#CCN(C)CCCCCCCC 34a_100000225692_100000210759 [0,2,0,0,0,0|1,0,1]=4 12136 B12R0.1 C/C=C/C(C)OCCCCCCC 34a_200102604097_100000210614 [0,2,0,0,0,0|1,0,1]=4 12137 B12R0.1 C/C=C/COCCCC(C)CCC 34a_100011713154_100102629194 [0,2,0,0,0,0|1,0,1]=4 12138 B12R0.1 C/C=C/COCCCC(C)CCC 7a_100011713154_100102629194 [0,2,0,0,0,0|1,0,1]=4 12139 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,2,0,0,0,0|1,0,0]=3 12140 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,2,0,0,0,0|1,0,0]=3 12141 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,2,0,0,0,0|1,0,1]=4 12142 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,2,0,0,0,0|1,0,1]=4 12143 B12R0.1 C=CCC(=O)CCCCCCOC 1458a_100000210193_100011998445 [0,2,0,0,0,0|1,0,1]=4 12144 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [0,2,0,0,0,0|1,0,1]=4 12145 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [0,2,0,0,0,0|1,0,1]=4 12146 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [0,2,0,0,0,0|1,0,1]=4 12147 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [0,2,0,0,0,0|1,0,1]=4 12148 B12R0.1 C=CCC(C)COCCCCC=O 7a_100009832082_100000139335 [0,2,0,0,0,0|0,0,2]=4 12149 B12R0.1 C=CCC(C)COCCCCCC 34a_100009832082_100000210314 [0,2,0,0,0,0|1,0,0]=3 12150 B12R0.1 C=CCC(C)COCCCCCC 7a_100009832082_100000210314 [0,2,0,0,0,0|1,0,0]=3 12151 B12R0.1 C=CCC(C)COCCCCCF 34a_100009832082_100000729378 [0,2,0,0,0,0|2,0,0]=4 12152 B12R0.1 C=CCC(C)COCCCCCF 7a_100009832082_100000729378 [0,2,0,0,0,0|2,0,0]=4 12153 B12R0.1 C=CCC(C)COCCCCCO 34a_100009832082_100000746330 [0,2,0,0,0,0|2,0,0]=4 12154 B12R0.1 C=CCC(C)COCCCCCO 7a_100009832082_100000746330 [0,2,0,0,0,0|2,0,0]=4 12155 B12R0.1 C=CCC(C)COCCCCOC 34a_100009832082_100000755781 [0,2,0,0,0,0|2,0,0]=4 12156 B12R0.1 C=CCC(C)COCCCCOC 7a_100009832082_100000730899 [0,2,0,0,0,0|2,0,0]=4 12157 B12R0.1 C=CCC(C)COCCCOCC 34a_100009832082_100012232248 [0,2,0,0,0,0|2,0,0]=4 12158 B12R0.1 C=CCC(C)COCCCOCC 7a_100009832082_100012232248 [0,2,0,0,0,0|2,0,0]=4 12159 B12R0.1 C=CCC(C)COCCOCCC 34a_100009832082_100011215938 [0,2,0,0,0,0|2,0,0]=4 12160 B12R0.1 C=CCC(C)COCCOCCC 7a_100009832082_100011215938 [0,2,0,0,0,0|2,0,0]=4 12161 B12R0.1 C=CCC(C)COCOCCCC 34a_100009832082_100011995733 [0,2,0,0,0,0|2,0,0]=4 12162 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,2,0,0,0,0|1,0,0]=3 12163 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,2,0,0,0,0|1,0,0]=3 12164 B12R0.1 C=CCCCCCCC(=O)CCF 1458a_100011809334_100011217306 [0,2,0,0,0,0|1,0,1]=4 12165 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,2,0,0,0,0|1,0,1]=4 12166 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,2,0,0,0,0|1,0,1]=4 12167 B12R0.1 C=CCCCCCCC(=O)COC 1458a_100000210968_100011215473 [0,2,0,0,0,0|1,0,1]=4 12168 B12R0.1 C=CCCCCCCC(=O)CSC 1458a_100000184570_100011215473 [0,2,0,0,0,0|1,0,1]=4 12169 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [0,2,0,0,0,0|1,0,1]=4 12170 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [0,2,0,0,0,0|1,0,1]=4 12171 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [0,2,0,0,0,0|1,0,1]=4 12172 B12R0.1 C=CCCCCCCN(C)CCC 2230a_100000747261_100011215473 [0,2,0,0,0,0|1,0,0]=3 12173 B12R0.1 C=CCCCCCCN(C)CCC 269982a_100000747261_100011215473 [0,2,0,0,0,0|1,0,0]=3 12174 B12R0.1 C=CCCCCCCN(C)CCO 2230a_100000210263_100011215473 [0,2,0,0,0,0|2,0,0]=4 12175 B12R0.1 C=CCCCCCCN(C)CCO 269982a_100000210263_100011215473 [0,2,0,0,0,0|2,0,0]=4 12176 B12R0.1 C=CCCCCCNC(C)CCC 2230a_100000741246_100000700193 [0,2,0,0,0,0|1,0,0]=3 12177 B12R0.1 C=CCCCCCN[C@H](C)CCO 2230a_100000706166_100000700193 [0,2,0,0,0,0|2,0,0]=4 12178 B12R0.1 C=CCCCCCN[C@H](C)CCO 34a_100000706166_100000700193 [0,2,0,0,0,0|2,0,0]=4 12179 B12R0.1 C=CCCCCCN[C@H](C)COC 2230a_100000764878_100000700193 [0,2,0,0,0,0|2,0,0]=4 12180 B12R0.1 C=CCCCCCOC(C)CCBr 34a_100012276601_100000700193 [0,2,0,0,0,0|2,0,0]=4 12181 B12R0.1 C=CCCCCCOC(C)CCC 34a_100000764384_100000700193 [0,2,0,0,0,0|1,0,0]=3 12182 B12R0.1 C=CCCCCCOC(C)CCC 34a_100011216702_100000766640 [0,2,0,0,0,0|1,0,0]=3 12183 B12R0.1 C=CCCCCCOC(C)CCC 7a_100000764384_100000700193 [0,2,0,0,0,0|1,0,0]=3 12184 B12R0.1 C=CCCCCCOC(C)CCC 7a_100011216702_100000766640 [0,2,0,0,0,0|1,0,0]=3 12185 B12R0.1 C=CCCCCCOC(C)CCO 34a_100011216702_100009893172 [0,2,0,0,0,0|2,0,0]=4 12186 B12R0.1 C=CCCCCCOC(C)CCO 7a_100011216702_100009893172 [0,2,0,0,0,0|2,0,0]=4 12187 B12R0.1 C=CCCCCCOC(C)COC 34a_100011216702_100000765312 [0,2,0,0,0,0|2,0,0]=4 12188 B12R0.1 C=CCCCCCOC(C)COC 7a_100011216702_100000765312 [0,2,0,0,0,0|2,0,0]=4 12189 B12R0.1 C=CCCCCCO[C@H](C)COC 34a_100011934205_100000700193 [0,2,0,0,0,0|2,0,0]=4 12190 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000700193_100000766640 [0,2,0,0,0,0|1,0,0]=3 12191 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000766640_100000700193 [0,2,0,0,0,0|1,0,0]=3 12192 B12R0.1 C=CCCCCCSC(C)CCO 62a_100000700193_100009893172 [0,2,0,0,0,0|2,0,0]=4 12193 B12R0.1 C=CCCCCCSC(C)CCO 62a_100009893172_100000700193 [0,2,0,0,0,0|2,0,0]=4 12194 B12R0.1 C=CCCCCCSC(C)COC 62a_100000700193_100000765312 [0,2,0,0,0,0|2,0,0]=4 12195 B12R0.1 C=CCCCCCSC(C)COC 62a_100000765312_100000700193 [0,2,0,0,0,0|2,0,0]=4 12196 B12R0.1 C=CCCCCNCC(=O)CCC 2230a_100000703577_100000747444 [0,2,0,0,0,0|1,0,1]=4 12197 B12R0.1 C=CCCCCNCC(C)CCC 2230a_100000703577_100011216630 [0,2,0,0,0,0|1,0,0]=3 12198 B12R0.1 C=CCCCCNCC(C)CCC 270004a_100000703577_100000243154 [0,2,0,0,0,0|1,0,0]=3 12199 B12R0.1 C=CCCCCNCC(C)CCC 34a_100000703577_100011216630 [0,2,0,0,0,0|1,0,0]=3 12200 B12R0.1 C=CCCCCNCC(O)COC 2230a_100000756049_100011215482 [0,2,0,0,0,0|2,0,0]=4 12201 B12R0.1 C=CCCCCNCC(O)COC 34a_100000703577_100011215053 [0,2,0,0,0,0|2,0,0]=4 12202 B12R0.1 C=CCCCCNCC(O)COC 34a_100000756049_100011215482 [0,2,0,0,0,0|2,0,0]=4 12203 B12R0.1 C=CCCCCOCC(=O)CCC 7a_100000766645_100000747444 [0,2,0,0,0,0|1,0,1]=4 12204 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000688023_100011215482 [0,2,0,0,0,0|1,0,0]=3 12205 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000766645_100011216630 [0,2,0,0,0,0|1,0,0]=3 12206 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000688023_100011215482 [0,2,0,0,0,0|1,0,0]=3 12207 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000766645_100011216630 [0,2,0,0,0,0|1,0,0]=3 12208 B12R0.1 C=CCCCCOCC(C)CCN 34a_106354213184_100011215482 [0,2,0,0,0,0|2,0,0]=4 12209 B12R0.1 C=CCCCCOCC(N)COC 34a_100000724102_100011215482 [0,2,0,0,0,0|2,0,0]=4 12210 B12R0.1 C=CCCCCOCC(O)COC 34a_100000766645_100011215053 [0,2,0,0,0,0|2,0,0]=4 12211 B12R0.1 C=CCCCCOCC(O)COC 7a_100000766645_100011215053 [0,2,0,0,0,0|2,0,0]=4 12212 B12R0.1 C=CCCCCOC[C@@H](N)CCC 34a_100000732646_100011215482 [0,2,0,0,0,0|1,0,0]=3 12213 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100000747444_100011215482 [0,2,0,0,0,0|1,0,1]=4 12214 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100011215482_100000747444 [0,2,0,0,0,0|1,0,1]=4 12215 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011215482_100011216630 [0,2,0,0,0,0|1,0,0]=3 12216 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011216630_100011215482 [0,2,0,0,0,0|1,0,0]=3 12217 B12R0.1 C=CCCCCSCC(O)COC 62a_100011215053_100011215482 [0,2,0,0,0,0|2,0,0]=4 12218 B12R0.1 C=CCCCCSCC(O)COC 62a_100011215482_100011215053 [0,2,0,0,0,0|2,0,0]=4 12219 B12R0.1 C=CCCCOCCC(C)CCC 34a_100011217855_100000757094 [0,2,0,0,0,0|1,0,0]=3 12220 B12R0.1 C=CCCCOCCC(C)CCC 7a_100011217855_100000757094 [0,2,0,0,0,0|1,0,0]=3 12221 B12R0.1 C=CCCCOCC[C@@H](N)CCC 34a_100015193777_100000757094 [0,2,0,0,0,0|1,0,0]=3 12222 B12R0.1 C=CCCOCCCC(C)CCC 34a_100011713154_100000754431 [0,2,0,0,0,0|1,0,0]=3 12223 B12R0.1 C=CCCOCCCC(C)CCC 7a_100011713154_100000754431 [0,2,0,0,0,0|1,0,0]=3 12224 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000207567_100000210623 [0,2,0,0,0,0|1,0,0]=3 12225 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000225617_100000210759 [0,2,0,0,0,0|1,0,0]=3 12226 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000207567_100000210623 [0,2,0,0,0,0|1,0,0]=3 12227 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000225617_100000210759 [0,2,0,0,0,0|1,0,0]=3 12228 B12R0.1 C=CCN(C)CCCCCCCO 2230a_100000225617_100000760002 [0,2,0,0,0,0|2,0,0]=4 12229 B12R0.1 C=CCN(C)CCCCCCCO 269982a_100000225617_100000760002 [0,2,0,0,0,0|2,0,0]=4 12230 B12R0.1 C=CCN(C)CCCCCCOC 2230a_100000225617_100011998445 [0,2,0,0,0,0|2,0,0]=4 12231 B12R0.1 C=CCN(C)CCCCCCOC 269982a_100000225617_100011998445 [0,2,0,0,0,0|2,0,0]=4 12232 B12R0.1 C=CCOCCOCC(C)CCC 34a_100000037705_100011216630 [0,2,0,0,0,0|2,0,0]=4 12233 B12R0.1 C=CCOCCOCC(C)CCC 7a_100000037705_100011216630 [0,2,0,0,0,0|2,0,0]=4 12234 B12R0.1 C=CC[C@@H](C)OCCCCCC=O 7a_100000731007_100000139337 [0,2,0,0,0,0|0,0,2]=4 12235 B12R0.1 C=CC[C@@H](C)OCCCCCCC 34a_100000731007_100000210614 [0,2,0,0,0,0|1,0,0]=3 12236 B12R0.1 C=CC[C@@H](C)OCCCCCCC 7a_100000731007_100000210614 [0,2,0,0,0,0|1,0,0]=3 12237 B12R0.1 C=CC[C@@H](C)OCCCCCCF 34a_100000731007_100015922095 [0,2,0,0,0,0|2,0,0]=4 12238 B12R0.1 C=CC[C@@H](C)OCCCCCCF 7a_100000731007_100015922095 [0,2,0,0,0,0|2,0,0]=4 12239 B12R0.1 C=CC[C@@H](C)OCCCCCCO 34a_100000731007_100000766143 [0,2,0,0,0,0|2,0,0]=4 12240 B12R0.1 C=CC[C@@H](C)OCCCCCCO 7a_100000731007_100000766143 [0,2,0,0,0,0|2,0,0]=4 12241 B12R0.1 C=CC[C@@H](C)OCCOCCCC 34a_100000731007_100000743108 [0,2,0,0,0,0|2,0,0]=4 12242 B12R0.1 C=CC[C@@H](C)OCCOCCCC 7a_100000731007_100000743108 [0,2,0,0,0,0|2,0,0]=4 12243 B12R0.1 C=CC[C@@H](N)COCCCCCC 34a_100020615467_100000210314 [0,2,0,0,0,0|1,0,0]=3 12244 B12R0.1 C=CC[C@@H](N)COCCCCCF 34a_100020615467_100000729378 [0,2,0,0,0,0|2,0,0]=4 12245 B12R0.1 C=CC[C@@H](N)COCCCCCO 34a_100020615467_100000746330 [0,2,0,0,0,0|2,0,0]=4 12246 B12R0.1 C=CC[C@@H](N)COCCCCOC 34a_100020615467_100000755781 [0,2,0,0,0,0|2,0,0]=4 12247 B12R0.1 C=CC[C@@H](N)COCCCOCC 34a_100020615467_100012232248 [0,2,0,0,0,0|2,0,0]=4 12248 B12R0.1 C=CC[C@@H](N)COCCOCCC 34a_100020615467_100011215938 [0,2,0,0,0,0|2,0,0]=4 12249 B12R0.1 C=CC[C@@H](N)COCOCCCC 34a_100020615467_100011995733 [0,2,0,0,0,0|2,0,0]=4 12250 B12R0.1 C=COCCCCOC(C)CCC 34a_100000031558_100000766640 [0,2,0,0,0,0|2,0,0]=4 12251 B12R0.1 C=COCCCCOC(C)CCC 7a_100000031558_100000766640 [0,2,0,0,0,0|2,0,0]=4 12252 B12R0.1 C=COCCCNCC(C)CCC 2230a_100000210767_100011216630 [0,2,0,0,0,0|2,0,0]=4 12253 B12R0.1 C=COCCCNCC(C)CCC 270004a_100000210767_100000243154 [0,2,0,0,0,0|2,0,0]=4 12254 B12R0.1 C=COCCCNCC(C)CCC 34a_100000210767_100011216630 [0,2,0,0,0,0|2,0,0]=4 12255 B12R0.1 C=COCCOCCC(C)CCC 34a_100011217855_100000039644 [0,2,0,0,0,0|2,0,0]=4 12256 B12R0.1 C=COCCOCCC(C)CCC 7a_100011217855_100000039644 [0,2,0,0,0,0|2,0,0]=4 12257 B12R0.1 C=COCCOCC[C@@H](N)CCC 34a_100015193777_100000039644 [0,2,0,0,0,0|2,0,0]=4 12258 B12R0.1 CC(CC#N)SCCCCCC=O 62a_100000139337_100009813641 [0,2,0,0,0,0|1,0,1]=4 12259 B12R0.1 CC(CC#N)SCCCCCC=O 62a_100009813641_100000139337 [0,2,0,0,0,0|1,0,1]=4 12260 B12R0.1 CC(CCO)SCCCCCC=O 62a_100000139337_100009893172 [0,2,0,0,0,0|1,0,0]=3 12261 B12R0.1 CC(CCO)SCCCCCC=O 62a_100009893172_100000139337 [0,2,0,0,0,0|1,0,0]=3 12262 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,2,0,0,0,0|1,0,1]=4 12263 B12R0.1 CC=CCCCOCC(C)CCC 34a_100020645299_100011216630 [0,2,0,0,0,0|1,0,1]=4 12264 B12R0.1 CC=CCOCCCC(C)CCC 34a_100011713154_100000070051 [0,2,0,0,0,0|1,0,1]=4 12265 B12R0.1 CC=CCOCCCC(C)CCC 7a_100011713154_100000070051 [0,2,0,0,0,0|1,0,1]=4 12266 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [0,2,0,0,0,0|1,0,1]=4 12267 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,2,0,0,0,0|0,0,2]=4 12268 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,2,0,0,0,0|0,0,2]=4 12269 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,2,0,0,0,0|2,0,0]=4 12270 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000139335_100000747444 [0,2,0,0,0,0|0,0,1]=3 12271 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000747444_100000139335 [0,2,0,0,0,0|0,0,1]=3 12272 B12R0.1 CCCC(=O)OCSCCCC=O 62a_200011292268_100000034017 [0,2,0,0,0,0|1,0,1]=4 12273 B12R0.1 CCCC(C)CCCOCCC#N 7a_100011713154_100000184422 [0,2,0,0,0,0|1,0,1]=4 12274 B12R0.1 CCCC(C)CCCOCCCF 34a_100011713154_100011934791 [0,2,0,0,0,0|1,0,1]=4 12275 B12R0.1 CCCC(C)CCCOCCCF 7a_100011713154_100011934791 [0,2,0,0,0,0|1,0,1]=4 12276 B12R0.1 CCCC(C)CCCOCCCO 34a_100011713154_100000230001 [0,2,0,0,0,0|0,0,2]=4 12277 B12R0.1 CCCC(C)CCCOCCCO 7a_100011713154_100011215043 [0,2,0,0,0,0|0,0,2]=4 12278 B12R0.1 CCCC(C)CCCOCCOC 34a_100011713154_100011201679 [0,2,0,0,0,0|2,0,0]=4 12279 B12R0.1 CCCC(C)CCCOCCOC 7a_100011713154_100000233755 [0,2,0,0,0,0|2,0,0]=4 12280 B12R0.1 CCCC(C)CCCOCCSC 34a_100011713154_100000212216 [0,2,0,0,0,0|2,0,0]=4 12281 B12R0.1 CCCC(C)CCCOCCSC 7a_100011713154_100000212216 [0,2,0,0,0,0|2,0,0]=4 12282 B12R0.1 CCCC(C)CCOCCCC#N 7a_100011217855_100000687738 [0,2,0,0,0,0|1,0,1]=4 12283 B12R0.1 CCCC(C)CCOCCCC=O 7a_100011217855_200011292268 [0,2,0,0,0,0|0,0,0]=2 12284 B12R0.1 CCCC(C)CCOCCCCF 34a_100011217855_100000729493 [0,2,0,0,0,0|1,0,1]=4 12285 B12R0.1 CCCC(C)CCOCCCCF 7a_100011217855_100000729493 [0,2,0,0,0,0|1,0,1]=4 12286 B12R0.1 CCCC(C)CCOCCCCO 34a_100011217855_100011216708 [0,2,0,0,0,0|0,0,2]=4 12287 B12R0.1 CCCC(C)CCOCCCCO 7a_100011217855_100000210776 [0,2,0,0,0,0|0,0,2]=4 12288 B12R0.1 CCCC(C)CCOCCCOC 34a_100011217855_100000740836 [0,2,0,0,0,0|2,0,0]=4 12289 B12R0.1 CCCC(C)CCOCCCOC 7a_100011217855_100000740836 [0,2,0,0,0,0|2,0,0]=4 12290 B12R0.1 CCCC(C)CNCCCCC#N 270004a_100000751965_100000243154 [0,2,0,0,0,0|1,0,1]=4 12291 B12R0.1 CCCC(C)CNCCCCCO 2230a_100000762737_100011216630 [0,2,0,0,0,0|0,0,2]=4 12292 B12R0.1 CCCC(C)CNCCCCCO 270004a_100000762737_100000243154 [0,2,0,0,0,0|0,0,2]=4 12293 B12R0.1 CCCC(C)CNCCCCCO 34a_100000762737_100011216630 [0,2,0,0,0,0|0,0,2]=4 12294 B12R0.1 CCCC(C)COCCCCC#N 7a_100000688023_100000211819 [0,2,0,0,0,0|1,0,1]=4 12295 B12R0.1 CCCC(C)COCCCCC=O 7a_100000688023_100000139335 [0,2,0,0,0,0|0,0,0]=2 12296 B12R0.1 CCCC(C)COCCCCCBr 34a_100000746331_100011216630 [0,2,0,0,0,0|1,0,1]=4 12297 B12R0.1 CCCC(C)COCCCCCBr 7a_100000746331_100011216630 [0,2,0,0,0,0|1,0,1]=4 12298 B12R0.1 CCCC(C)COCCCCCCl 34a_100000746330_100011216630 [0,2,0,0,0,0|1,0,1]=4 12299 B12R0.1 CCCC(C)COCCCCCCl 7a_100000746330_100011216630 [0,2,0,0,0,0|1,0,1]=4 12300 B12R0.1 CCCC(C)COCCCCCF 34a_100000688023_100000729378 [0,2,0,0,0,0|1,0,1]=4 12301 B12R0.1 CCCC(C)COCCCCCF 7a_100000688023_100000729378 [0,2,0,0,0,0|1,0,1]=4 12302 B12R0.1 CCCC(C)COCCCCCI 34a_200012148887_100011216630 [0,2,0,0,0,0|1,0,1]=4 12303 B12R0.1 CCCC(C)COCCCCCI 7a_200012148887_100011216630 [0,2,0,0,0,0|1,0,1]=4 12304 B12R0.1 CCCC(C)COCCCCCN 34a_100000762737_100011216630 [0,2,0,0,0,0|1,0,1]=4 12305 B12R0.1 CCCC(C)COCCCCCO 34a_100000688023_100000746330 [0,2,0,0,0,0|0,0,2]=4 12306 B12R0.1 CCCC(C)COCCCCCO 7a_100000688023_100000746330 [0,2,0,0,0,0|0,0,2]=4 12307 B12R0.1 CCCC(C)COCCCCOC 34a_100000688023_100000755781 [0,2,0,0,0,0|2,0,0]=4 12308 B12R0.1 CCCC(C)COCCCCOC 34a_100000740925_100011216630 [0,2,0,0,0,0|2,0,0]=4 12309 B12R0.1 CCCC(C)COCCCCOC 7a_100000688023_100000730899 [0,2,0,0,0,0|2,0,0]=4 12310 B12R0.1 CCCC(C)COCCCCSC 34a_100011217163_100011216630 [0,2,0,0,0,0|2,0,0]=4 12311 B12R0.1 CCCC(C)COCCCCSC 7a_100011217163_100011216630 [0,2,0,0,0,0|2,0,0]=4 12312 B12R0.1 CCCC(C)CSCCCCC#N 62a_100011216630_100000211819 [0,2,0,0,0,0|1,0,1]=4 12313 B12R0.1 CCCC(C)CSCCCCC#N 62a_100011219923_100011216630 [0,2,0,0,0,0|1,0,1]=4 12314 B12R0.1 CCCC(C)CSCCCCC=O 62a_100000139335_100011216630 [0,2,0,0,0,0|0,0,0]=2 12315 B12R0.1 CCCC(C)CSCCCCC=O 62a_100011216630_100000139335 [0,2,0,0,0,0|0,0,0]=2 12316 B12R0.1 CCCC(C)CSCCCCCF 62a_100000729378_100011216630 [0,2,0,0,0,0|1,0,1]=4 12317 B12R0.1 CCCC(C)CSCCCCCF 62a_100011216630_100000729378 [0,2,0,0,0,0|1,0,1]=4 12318 B12R0.1 CCCC(C)CSCCCCCO 62a_100000746330_100011216630 [0,2,0,0,0,0|0,0,2]=4 12319 B12R0.1 CCCC(C)CSCCCCCO 62a_100011216630_100000746330 [0,2,0,0,0,0|0,0,2]=4 12320 B12R0.1 CCCC(C)CSCCCCOC 62a_100000730899_100011216630 [0,2,0,0,0,0|2,0,0]=4 12321 B12R0.1 CCCC(C)CSCCCCOC 62a_100011216630_100000730899 [0,2,0,0,0,0|2,0,0]=4 12322 B12R0.1 CCCC(C)NCCCCCC#N 2230a_100000741246_100009813376 [0,2,0,0,0,0|1,0,1]=4 12323 B12R0.1 CCCC(C)NCCCCCC#N 270004a_100000061152_100000211909 [0,2,0,0,0,0|1,0,1]=4 12324 B12R0.1 CCCC(C)NCCCCCC=O 2230a_100000741246_100000139337 [0,2,0,0,0,0|0,0,0]=2 12325 B12R0.1 CCCC(C)NCCCCCCF 2230a_100000741246_100015922095 [0,2,0,0,0,0|1,0,1]=4 12326 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000686447_100000766640 [0,2,0,0,0,0|0,0,2]=4 12327 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000741246_100000766143 [0,2,0,0,0,0|0,0,2]=4 12328 B12R0.1 CCCC(C)NCCCCCCO 270004a_100000686447_100000211909 [0,2,0,0,0,0|0,0,2]=4 12329 B12R0.1 CCCC(C)NCCCCCCO 34a_100000686447_100000766640 [0,2,0,0,0,0|0,0,2]=4 12330 B12R0.1 CCCC(C)NCCCCCOC 2230a_100000747528_100000766640 [0,2,0,0,0,0|2,0,0]=4 12331 B12R0.1 CCCC(C)NCCCCCOC 270004a_100000747528_100000211909 [0,2,0,0,0,0|2,0,0]=4 12332 B12R0.1 CCCC(C)NCCCCCOC 34a_100000747528_100000766640 [0,2,0,0,0,0|2,0,0]=4 12333 B12R0.1 CCCC(C)OCCCCCC#N 7a_100000764384_100009813376 [0,2,0,0,0,0|1,0,1]=4 12334 B12R0.1 CCCC(C)OCCCCCC=O 7a_100000764384_100000139337 [0,2,0,0,0,0|0,0,0]=2 12335 B12R0.1 CCCC(C)OCCCCCCBr 34a_100011215345_100000766640 [0,2,0,0,0,0|1,0,1]=4 12336 B12R0.1 CCCC(C)OCCCCCCBr 7a_100011215345_100000766640 [0,2,0,0,0,0|1,0,1]=4 12337 B12R0.1 CCCC(C)OCCCCCCCl 34a_100000766143_100000766640 [0,2,0,0,0,0|1,0,1]=4 12338 B12R0.1 CCCC(C)OCCCCCCCl 7a_100000766143_100000766640 [0,2,0,0,0,0|1,0,1]=4 12339 B12R0.1 CCCC(C)OCCCCCCF 34a_100000732779_100000766640 [0,2,0,0,0,0|1,0,1]=4 12340 B12R0.1 CCCC(C)OCCCCCCF 34a_100000764384_100015922095 [0,2,0,0,0,0|1,0,1]=4 12341 B12R0.1 CCCC(C)OCCCCCCF 7a_100000732779_100000766640 [0,2,0,0,0,0|1,0,1]=4 12342 B12R0.1 CCCC(C)OCCCCCCF 7a_100000764384_100015922095 [0,2,0,0,0,0|1,0,1]=4 12343 B12R0.1 CCCC(C)OCCCCCCN 34a_100000686447_100000766640 [0,2,0,0,0,0|1,0,1]=4 12344 B12R0.1 CCCC(C)OCCCCCCO 34a_100000764384_100000766143 [0,2,0,0,0,0|0,0,2]=4 12345 B12R0.1 CCCC(C)OCCCCCCO 7a_100000764384_100000766143 [0,2,0,0,0,0|0,0,2]=4 12346 B12R0.1 CCCC(C)OCCCCCNC 34a_100000722520_100000766640 [0,2,0,0,0,0|2,0,0]=4 12347 B12R0.1 CCCC(C)SCCCCCC#N 62a_100000766640_100009813376 [0,2,0,0,0,0|1,0,1]=4 12348 B12R0.1 CCCC(C)SCCCCCC#N 62a_100009813376_100000766640 [0,2,0,0,0,0|1,0,1]=4 12349 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000139337_100000766640 [0,2,0,0,0,0|0,0,0]=2 12350 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000766640_100000139337 [0,2,0,0,0,0|0,0,0]=2 12351 B12R0.1 CCCC(C)SCCCCCCF 62a_100000766640_100015922095 [0,2,0,0,0,0|1,0,1]=4 12352 B12R0.1 CCCC(C)SCCCCCCF 62a_100015922095_100000766640 [0,2,0,0,0,0|1,0,1]=4 12353 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766143_100000766640 [0,2,0,0,0,0|0,0,2]=4 12354 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766640_100000766143 [0,2,0,0,0,0|0,0,2]=4 12355 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [0,2,0,0,0,0|1,0,1]=4 12356 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [0,2,0,0,0,0|1,0,1]=4 12357 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [0,2,0,0,0,0|1,0,1]=4 12358 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,2,0,0,0,0|1,0,1]=4 12359 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,2,0,0,0,0|1,0,1]=4 12360 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,2,0,0,0,0|1,0,1]=4 12361 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,2,0,0,0,0|1,0,1]=4 12362 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,2,0,0,0,0|1,0,1]=4 12363 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,2,0,0,0,0|0,0,2]=4 12364 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,2,0,0,0,0|0,0,2]=4 12365 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,2,0,0,0,0|2,0,0]=4 12366 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,2,0,0,0,0|2,0,0]=4 12367 B12R0.1 CCCCCCCCC(C)CNC 270004a_106832991635_100011995885 [0,2,0,0,0,0|1,0,1]=4 12368 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [0,2,0,0,0,0|0,0,2]=4 12369 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [0,2,0,0,0,0|0,0,2]=4 12370 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [0,2,0,0,0,0|0,0,2]=4 12371 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [0,2,0,0,0,0|0,0,2]=4 12372 B12R0.1 CCCCCCCCC(C)NCC 270004a_100015525214_100011216694 [0,2,0,0,0,0|1,0,1]=4 12373 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,2,0,0,0,0|1,0,1]=4 12374 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,2,0,0,0,0|1,0,1]=4 12375 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [0,2,0,0,0,0|1,0,1]=4 12376 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [0,2,0,0,0,0|1,0,1]=4 12377 B12R0.1 CCCCCCCCN(C)CC#N 2230a_100000207567_100011215382 [0,2,0,0,0,0|1,0,1]=4 12378 B12R0.1 CCCCCCCCN(C)CC#N 2230a_100000748184_100000210759 [0,2,0,0,0,0|1,0,1]=4 12379 B12R0.1 CCCCCCCCN(C)CC#N 269982a_100000207567_100011214920 [0,2,0,0,0,0|1,0,1]=4 12380 B12R0.1 CCCCCCCCN(C)CC=O 2230a_100000207567_200015260668 [0,2,0,0,0,0|0,0,0]=2 12381 B12R0.1 CCCCCCCCN(C)CC=O 269982a_100000207567_200015260668 [0,2,0,0,0,0|0,0,0]=2 12382 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [0,2,0,0,0,0|1,0,1]=4 12383 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [0,2,0,0,0,0|1,0,1]=4 12384 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [0,2,0,0,0,0|1,0,1]=4 12385 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [0,2,0,0,0,0|1,0,1]=4 12386 B12R0.1 CCCCCCCCN(C)CCF 2230a_100000207567_100011217306 [0,2,0,0,0,0|1,0,1]=4 12387 B12R0.1 CCCCCCCCN(C)CCF 269982a_100000207567_100011217306 [0,2,0,0,0,0|1,0,1]=4 12388 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [0,2,0,0,0,0|0,0,2]=4 12389 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [0,2,0,0,0,0|0,0,2]=4 12390 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [0,2,0,0,0,0|0,0,2]=4 12391 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [0,2,0,0,0,0|0,0,2]=4 12392 B12R0.1 CCCCCCCCN(C)COC 2230a_100000207567_100000766300 [0,2,0,0,0,0|2,0,0]=4 12393 B12R0.1 CCCCCCCCN(C)COC 269982a_100000207567_100000766300 [0,2,0,0,0,0|2,0,0]=4 12394 B12R0.1 CCCCCCCCN(C)CSC 2230a_100000207567_100011218213 [0,2,0,0,0,0|2,0,0]=4 12395 B12R0.1 CCCCCCCCN(C)CSC 269982a_100000207567_100011218213 [0,2,0,0,0,0|2,0,0]=4 12396 B12R0.1 CCCCCCCNC(C)CC#N 2230a_100000229938_100009813641 [0,2,0,0,0,0|1,0,1]=4 12397 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000229938_100000766640 [0,2,0,0,0,0|1,0,1]=4 12398 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000741246_100000210681 [0,2,0,0,0,0|1,0,1]=4 12399 B12R0.1 CCCCCCCNC(C)CCC 270004a_100000229938_100000211909 [0,2,0,0,0,0|1,0,1]=4 12400 B12R0.1 CCCCCCCNC(C)CCO 2230a_100000229938_100009893172 [0,2,0,0,0,0|0,0,2]=4 12401 B12R0.1 CCCCCCCNC(C)COC 2230a_100000229938_100000765312 [0,2,0,0,0,0|2,0,0]=4 12402 B12R0.1 CCCCCCCNC(C)COC 270004a_100000229938_100000749346 [0,2,0,0,0,0|2,0,0]=4 12403 B12R0.1 CCCCCCCNC(C)CSC 270004a_100000229938_100011216314 [0,2,0,0,0,0|2,0,0]=4 12404 B12R0.1 CCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210681 [0,2,0,0,0,0|1,0,1]=4 12405 B12R0.1 CCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210681 [0,2,0,0,0,0|0,0,2]=4 12406 B12R0.1 CCCCCCCN[C@H](C)CCO 34a_100000706166_100000210614 [0,2,0,0,0,0|0,0,2]=4 12407 B12R0.1 CCCCCCCN[C@H](C)COC 2230a_100000764878_100000210681 [0,2,0,0,0,0|2,0,0]=4 12408 B12R0.1 CCCCCCCOC(C)CC#N 7a_100000210272_100009813641 [0,2,0,0,0,0|1,0,1]=4 12409 B12R0.1 CCCCCCCOC(C)CCBr 34a_100012276601_100000210614 [0,2,0,0,0,0|1,0,1]=4 12410 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [0,2,0,0,0,0|1,0,1]=4 12411 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [0,2,0,0,0,0|1,0,1]=4 12412 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [0,2,0,0,0,0|1,0,1]=4 12413 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [0,2,0,0,0,0|1,0,1]=4 12414 B12R0.1 CCCCCCCOC(C)CCO 34a_100000210272_100009893172 [0,2,0,0,0,0|0,0,2]=4 12415 B12R0.1 CCCCCCCOC(C)CCO 7a_100000210272_100009893172 [0,2,0,0,0,0|0,0,2]=4 12416 B12R0.1 CCCCCCCOC(C)COC 34a_100000210272_100000765312 [0,2,0,0,0,0|2,0,0]=4 12417 B12R0.1 CCCCCCCOC(C)COC 7a_100000210272_100000765312 [0,2,0,0,0,0|2,0,0]=4 12418 B12R0.1 CCCCCCCO[C@H](C)COC 34a_100011934205_100000210614 [0,2,0,0,0,0|2,0,0]=4 12419 B12R0.1 CCCCCCCSC(C)CC#N 62a_100000210614_100009813641 [0,2,0,0,0,0|1,0,1]=4 12420 B12R0.1 CCCCCCCSC(C)CC#N 62a_100009813641_100000210316 [0,2,0,0,0,0|1,0,1]=4 12421 B12R0.1 CCCCCCCSC(C)CCC 62a_100000210614_100000766640 [0,2,0,0,0,0|1,0,1]=4 12422 B12R0.1 CCCCCCCSC(C)CCC 62a_100000766640_100000210316 [0,2,0,0,0,0|1,0,1]=4 12423 B12R0.1 CCCCCCCSC(C)CCO 62a_100000210614_100009893172 [0,2,0,0,0,0|0,0,2]=4 12424 B12R0.1 CCCCCCCSC(C)CCO 62a_100009893172_100000210316 [0,2,0,0,0,0|0,0,2]=4 12425 B12R0.1 CCCCCCCSC(C)COC 62a_100000210614_100000765312 [0,2,0,0,0,0|2,0,0]=4 12426 B12R0.1 CCCCCCCSC(C)COC 62a_100000765312_100000210316 [0,2,0,0,0,0|2,0,0]=4 12427 B12R0.1 CCCCCCNCC(C)CCC 2230a_100000210581_100011216630 [0,2,0,0,0,0|1,0,1]=4 12428 B12R0.1 CCCCCCNCC(C)CCC 270004a_100000210581_100000243154 [0,2,0,0,0,0|1,0,1]=4 12429 B12R0.1 CCCCCCNCC(O)COC 2230a_100000756049_100000210314 [0,2,0,0,0,0|2,0,0]=4 12430 B12R0.1 CCCCCCNCC(O)COC 34a_100000756049_100000210314 [0,2,0,0,0,0|2,0,0]=4 12431 B12R0.1 CCCCCCNC[C@@H](O)CC#N 2230a_100000210581_100000001066 [0,2,0,0,0,0|1,0,1]=4 12432 B12R0.1 CCCCCCOCC(C)CCC 34a_100000210259_100011216630 [0,2,0,0,0,0|1,0,1]=4 12433 B12R0.1 CCCCCCOCC(C)CCC 34a_100000688023_100000210314 [0,2,0,0,0,0|1,0,1]=4 12434 B12R0.1 CCCCCCOCC(C)CCC 7a_100000210259_100011216630 [0,2,0,0,0,0|1,0,1]=4 12435 B12R0.1 CCCCCCOCC(C)CCC 7a_100000688023_100000210314 [0,2,0,0,0,0|1,0,1]=4 12436 B12R0.1 CCCCCCOCC(C)CCN 34a_106354213184_100000210314 [0,2,0,0,0,0|1,0,1]=4 12437 B12R0.1 CCCCCCOCC(N)COC 34a_100000724102_100000210314 [0,2,0,0,0,0|2,0,0]=4 12438 B12R0.1 CCCCCCOCC(O)COC 34a_100000210259_100011215053 [0,2,0,0,0,0|2,0,0]=4 12439 B12R0.1 CCCCCCOCC(O)COC 7a_100000210259_100011215053 [0,2,0,0,0,0|2,0,0]=4 12440 B12R0.1 CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210314 [0,2,0,0,0,0|1,0,1]=4 12441 B12R0.1 CCCCCCOC[C@@H](O)CC#N 7a_100000210259_100000001066 [0,2,0,0,0,0|1,0,1]=4 12442 B12R0.1 CCCCCCSCC(C)CCC 62a_100000210314_100011216630 [0,2,0,0,0,0|1,0,1]=4 12443 B12R0.1 CCCCCCSCC(C)CCC 62a_100011216630_100000210757 [0,2,0,0,0,0|1,0,1]=4 12444 B12R0.1 CCCCCCSCC(O)COC 62a_100000210314_100011215053 [0,2,0,0,0,0|2,0,0]=4 12445 B12R0.1 CCCCCCSCC(O)COC 62a_100011215053_100000210757 [0,2,0,0,0,0|2,0,0]=4 12446 B12R0.1 CCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210757 [0,2,0,0,0,0|1,0,1]=4 12447 B12R0.1 CCCCCCSC[C@@H](O)CC#N 62a_100000210314_100000001066 [0,2,0,0,0,0|1,0,1]=4 12448 B12R0.1 CCCCCOCCC(C)CCC 34a_100011217855_100000718602 [0,2,0,0,0,0|1,0,1]=4 12449 B12R0.1 CCCCCOCCC(C)CCC 7a_100011217855_100000210326 [0,2,0,0,0,0|1,0,1]=4 12450 B12R0.1 CCCCCOCC[C@@H](N)CCC 34a_100015193777_100000718602 [0,2,0,0,0,0|1,0,1]=4 12451 B12R0.1 CCCCOCCCC(C)CCC 34a_100011713154_100000210210 [0,2,0,0,0,0|1,0,1]=4 12452 B12R0.1 CCCCOCCCC(C)CCC 7a_100011713154_100000210211 [0,2,0,0,0,0|1,0,1]=4 12453 B12R0.1 CCCN(C)CCCCCCC#N 2230a_100000747261_100009813337 [0,2,0,0,0,0|1,0,1]=4 12454 B12R0.1 CCCN(C)CCCCCCC#N 269982a_100000747261_100009813337 [0,2,0,0,0,0|1,0,1]=4 12455 B12R0.1 CCCN(C)CCCCCCCO 2230a_100000747261_100000760002 [0,2,0,0,0,0|0,0,2]=4 12456 B12R0.1 CCCN(C)CCCCCCCO 269982a_100000747261_100000760002 [0,2,0,0,0,0|0,0,2]=4 12457 B12R0.1 CCCN(C)CCCCCCOC 2230a_100000747261_100011998445 [0,2,0,0,0,0|2,0,0]=4 12458 B12R0.1 CCCN(C)CCCCCCOC 269982a_100000747261_100011998445 [0,2,0,0,0,0|2,0,0]=4 12459 B12R0.1 CCC[C@H](N)CCOCCCCF 34a_100015193777_100000729493 [0,2,0,0,0,0|1,0,1]=4 12460 B12R0.1 CCC[C@H](N)CCOCCCCO 34a_100015193777_100011216708 [0,2,0,0,0,0|0,0,2]=4 12461 B12R0.1 CCC[C@H](N)CCOCCCOC 34a_100015193777_100000740836 [0,2,0,0,0,0|2,0,0]=4 12462 B12R0.1 CCC[C@H](N)COCCCCCF 34a_100000732646_100000729378 [0,2,0,0,0,0|1,0,1]=4 12463 B12R0.1 CCC[C@H](N)COCCCCCO 34a_100000732646_100000746330 [0,2,0,0,0,0|0,0,2]=4 12464 B12R0.1 CCC[C@H](N)COCCCCOC 34a_100000732646_100000755781 [0,2,0,0,0,0|2,0,0]=4 12465 B12R0.1 CCNC(=O)CCSCCCC=O 62a_100000737597_200011292268 [0,2,0,0,0,0|1,0,1]=4 12466 B12R0.1 CCNC(=O)CCSCCCC=O 62a_200011292268_100000737597 [0,2,0,0,0,0|1,0,1]=4 12467 B12R0.1 CCNC(=O)CNCCCCC=O 2230a_100016988866_100000139335 [0,2,0,0,0,0|1,0,1]=4 12468 B12R0.1 CCNC(=O)CSCCCCC=O 62a_100000139335_100000183381 [0,2,0,0,0,0|1,0,1]=4 12469 B12R0.1 CCNC(=O)CSCCCCC=O 62a_100000183381_100000139335 [0,2,0,0,0,0|1,0,1]=4 12470 B12R0.1 CCOC(=O)CCCCSCC=O 62a_100000750268_200015260668 [0,2,0,0,0,0|1,0,1]=4 12471 B12R0.1 CCOC(=O)CCCCSCC=O 62a_200015260668_100000750268 [0,2,0,0,0,0|1,0,1]=4 12472 B12R0.1 CCOC(=O)CCSCCCC=O 62a_100000765890_200011292268 [0,2,0,0,0,0|1,0,1]=4 12473 B12R0.1 CCOC(=O)CCSCCCC=O 62a_200011292268_100000765890 [0,2,0,0,0,0|1,0,1]=4 12474 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000139335_100000188475 [0,2,0,0,0,0|1,0,1]=4 12475 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000188475_100000139335 [0,2,0,0,0,0|1,0,1]=4 12476 B12R0.1 COCC(C)SCCCCCC=O 62a_100000139337_100000765312 [0,2,0,0,0,0|1,0,0]=3 12477 B12R0.1 COCC(C)SCCCCCC=O 62a_100000765312_100000139337 [0,2,0,0,0,0|1,0,0]=3 12478 B12R0.1 COCC(O)CNCCCCC=O 2230a_100000756049_100000139335 [0,2,0,0,0,0|1,0,0]=3 12479 B12R0.1 COCC(O)CSCCCCC=O 62a_100000139335_100011215053 [0,2,0,0,0,0|1,0,0]=3 12480 B12R0.1 COCC(O)CSCCCCC=O 62a_100011215053_100000139335 [0,2,0,0,0,0|1,0,0]=3 12481 B12R0.1 COC[C@@H](C)NCCCCCC=O 2230a_100000764878_100000139337 [0,2,0,0,0,0|1,0,0]=3 12482 B12R0.1 C[C@@H](CC#N)NCCCCCC=O 2230a_100016994482_100000139337 [0,2,0,0,0,0|1,0,1]=4 12483 B12R0.1 C[C@H](CCO)NCCCCCC=O 2230a_100000706166_100000139337 [0,2,0,0,0,0|1,0,0]=3 12484 B12R0.1 N#CC[C@H](O)CSCCCCC=O 62a_100000001066_100000139335 [0,2,0,0,0,0|1,0,1]=4 12485 B12R0.1 N#CC[C@H](O)CSCCCCC=O 62a_100000139335_100000001066 [0,2,0,0,0,0|1,0,1]=4 12486 B12R0.5 C#CCCCCCCCCCOC 34a_100000034437_200000210301 [0,2,0,0,0,0|1,0,1]=4 12487 B12R0.5 C#CCCCCCCCCCOC 7a_100000034437_200000210301 [0,2,0,0,0,0|1,0,1]=4 12488 B12R0.5 C#CCCCCCCCCCO[13CH3] 34a_100000034437_200025704644 [0,2,0,0,0,0|1,0,1]=4 12489 B12R0.5 C#CCCCCCCCCCO[13CH3] 7a_100000034437_200025704644 [0,2,0,0,0,0|1,0,1]=4 12490 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [0,2,0,0,0,0|1,0,1]=4 12491 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [0,2,0,0,0,0|1,0,1]=4 12492 B12R0.5 C#CCCCCCCCCOCF 34a_100000065265_100015361967 [0,2,0,0,0,0|1,0,1]=4 12493 B12R0.5 C#CCCCCCCCCOCF 7a_100000065265_100015361967 [0,2,0,0,0,0|1,0,1]=4 12494 B12R0.5 C#CCCCCCCCNCC=C 2230a_100020586998_100153394163 [0,2,0,0,0,0|1,0,1]=4 12495 B12R0.5 C#CCCCCCCCNCCF 34a_100000724931_100153394163 [0,2,0,0,0,0|1,0,1]=4 12496 B12R0.5 C#CCCCCCCCNCCO 2230a_100016997473_100153394163 [0,2,0,0,0,0|1,0,1]=4 12497 B12R0.5 C#CCCCCCCCNCCO 34a_100016990907_100153394163 [0,2,0,0,0,0|1,0,1]=4 12498 B12R0.5 C#CCCCCCCCOCC=C 34a_100000054614_100015514636 [0,2,0,0,0,0|1,0,1]=4 12499 B12R0.5 C#CCCCCCCCOCC=C 34a_200000210373_100153394163 [0,2,0,0,0,0|1,0,1]=4 12500 B12R0.5 C#CCCCCCCCOCC=C 7a_100000054614_100015514636 [0,2,0,0,0,0|1,0,1]=4 12501 B12R0.5 C#CCCCCCCCOCC=O 34a_100000054614_200009817547 [0,2,0,0,0,0|0,0,1]=3 12502 B12R0.5 C#CCCCCCCCOCC=O 7a_100000054614_200015260668 [0,2,0,0,0,0|0,0,1]=3 12503 B12R0.5 C#CCCCCCCCOCCBr 34a_100000211926_100153394163 [0,2,0,0,0,0|1,0,1]=4 12504 B12R0.5 C#CCCCCCCCOCCC 34a_100000054614_100000210303 [0,2,0,0,0,0|1,0,1]=4 12505 B12R0.5 C#CCCCCCCCOCCC 34a_100000210258_100153394163 [0,2,0,0,0,0|1,0,1]=4 12506 B12R0.5 C#CCCCCCCCOCCC 7a_100000054614_100000210303 [0,2,0,0,0,0|1,0,1]=4 12507 B12R0.5 C#CCCCCCCCOCCF 34a_100000054614_100011217306 [0,2,0,0,0,0|1,0,1]=4 12508 B12R0.5 C#CCCCCCCCOCCF 7a_100000054614_100011217306 [0,2,0,0,0,0|1,0,1]=4 12509 B12R0.5 C#CCCCCCCCOCCN 34a_100000210304_100153394163 [0,2,0,0,0,0|1,0,1]=4 12510 B12R0.5 C#CCCCCCCCOCCO 34a_100000054614_100000211926 [0,2,0,0,0,0|1,0,1]=4 12511 B12R0.5 C#CCCCCCCCOCCO 7a_100000054614_100000211926 [0,2,0,0,0,0|1,0,1]=4 12512 B12R0.5 C#CCCCCCCCOCSC 34a_100000054614_100011218213 [0,2,0,0,0,0|1,0,1]=4 12513 B12R0.5 C#CCCCCCCCSCC=C 62a_100000210623_100153394163 [0,2,0,0,0,0|1,0,1]=4 12514 B12R0.5 C#CCCCCCCCSCC=C 62a_100153394163_100000210623 [0,2,0,0,0,0|1,0,1]=4 12515 B12R0.5 C#CCCCCCCCSCC=O 62a_100153394163_200015260668 [0,2,0,0,0,0|0,0,1]=3 12516 B12R0.5 C#CCCCCCCCSCC=O 62a_200015260668_100153394163 [0,2,0,0,0,0|0,0,1]=3 12517 B12R0.5 C#CCCCCCCCSCCC 62a_100000210303_100153394163 [0,2,0,0,0,0|1,0,1]=4 12518 B12R0.5 C#CCCCCCCCSCCC 62a_100153394163_100000210303 [0,2,0,0,0,0|1,0,1]=4 12519 B12R0.5 C#CCCCCCCCSCCF 62a_100011217306_100153394163 [0,2,0,0,0,0|1,0,1]=4 12520 B12R0.5 C#CCCCCCCCSCCF 62a_100153394163_100011217306 [0,2,0,0,0,0|1,0,1]=4 12521 B12R0.5 C#CCCCCCCCSCCO 62a_100000211926_100153394163 [0,2,0,0,0,0|1,0,1]=4 12522 B12R0.5 C#CCCCCCCCSCCO 62a_100153394163_100000211926 [0,2,0,0,0,0|1,0,1]=4 12523 B12R0.5 C#CCCCCCCCSCOC 62a_100000766300_100153394163 [0,2,0,0,0,0|1,0,1]=4 12524 B12R0.5 C#CCCCCCCCSCOC 62a_100153394163_100000766300 [0,2,0,0,0,0|1,0,1]=4 12525 B12R0.5 C#CCCCCCCCSCSC 62a_100011218213_100153394163 [0,2,0,0,0,0|1,0,1]=4 12526 B12R0.5 C#CCCCCCCCSCSC 62a_100153394163_100011218213 [0,2,0,0,0,0|1,0,1]=4 12527 B12R0.5 C#CCCCCCCNCCC=C 2230a_100015191253_100012276617 [0,2,0,0,0,0|1,0,1]=4 12528 B12R0.5 C#CCCCCCCNCCCC 2230a_100000102301_100012276617 [0,2,0,0,0,0|1,0,1]=4 12529 B12R0.5 C#CCCCCCCNCCCC 7a_106832991798_100012276617 [0,2,0,0,0,0|1,0,1]=4 12530 B12R0.5 C#CCCCCCCNCCCF 2230a_100015189416_100012276617 [0,2,0,0,0,0|1,0,1]=4 12531 B12R0.5 C#CCCCCCCNCCCF 34a_100015189416_100012276617 [0,2,0,0,0,0|1,0,1]=4 12532 B12R0.5 C#CCCCCCCNCCOC 2230a_100000209980_100012276617 [0,2,0,0,0,0|1,0,1]=4 12533 B12R0.5 C#CCCCCCCNCCSC 2230a_100020590264_100012276617 [0,2,0,0,0,0|1,0,1]=4 12534 B12R0.5 C#CCCCCCCOCCC=C 34a_100011205117_100012276617 [0,2,0,0,0,0|1,0,1]=4 12535 B12R0.5 C#CCCCCCCOCCC=C 34a_100011217361_100000754431 [0,2,0,0,0,0|1,0,1]=4 12536 B12R0.5 C#CCCCCCCOCCC=C 7a_100011217361_100000754431 [0,2,0,0,0,0|1,0,1]=4 12537 B12R0.5 C#CCCCCCCOCCCBr 34a_100011217188_100012276617 [0,2,0,0,0,0|1,0,1]=4 12538 B12R0.5 C#CCCCCCCOCCCC 34a_100000210227_100012276617 [0,2,0,0,0,0|1,0,1]=4 12539 B12R0.5 C#CCCCCCCOCCCC 34a_100011217361_100000210210 [0,2,0,0,0,0|1,0,1]=4 12540 B12R0.5 C#CCCCCCCOCCCC 7a_100000210227_100012276617 [0,2,0,0,0,0|1,0,1]=4 12541 B12R0.5 C#CCCCCCCOCCCC 7a_100011217361_100000210211 [0,2,0,0,0,0|1,0,1]=4 12542 B12R0.5 C#CCCCCCCOCCCCl 34a_100000230001_100012276617 [0,2,0,0,0,0|1,0,1]=4 12543 B12R0.5 C#CCCCCCCOCCCF 34a_100000759539_100012276617 [0,2,0,0,0,0|1,0,1]=4 12544 B12R0.5 C#CCCCCCCOCCCF 34a_100011217361_100011934791 [0,2,0,0,0,0|1,0,1]=4 12545 B12R0.5 C#CCCCCCCOCCCF 7a_100011217361_100011934791 [0,2,0,0,0,0|1,0,1]=4 12546 B12R0.5 C#CCCCCCCOCCCN 34a_100000182051_100012276617 [0,2,0,0,0,0|1,0,1]=4 12547 B12R0.5 C#CCCCCCCOCCCO 34a_100011217361_100000230001 [0,2,0,0,0,0|1,0,1]=4 12548 B12R0.5 C#CCCCCCCOCCCO 7a_100011217361_100011215043 [0,2,0,0,0,0|1,0,1]=4 12549 B12R0.5 C#CCCCCCCOCCOC 34a_100000210237_100012276617 [0,2,0,0,0,0|1,0,1]=4 12550 B12R0.5 C#CCCCCCCOCCOC 34a_100011217361_100011201679 [0,2,0,0,0,0|1,0,1]=4 12551 B12R0.5 C#CCCCCCCOCCOC 7a_100011217361_100000233755 [0,2,0,0,0,0|1,0,1]=4 12552 B12R0.5 C#CCCCCCCOCCSC 34a_100000230434_100012276617 [0,2,0,0,0,0|1,0,1]=4 12553 B12R0.5 C#CCCCCCCOCCSC 34a_100011217361_100000212216 [0,2,0,0,0,0|1,0,1]=4 12554 B12R0.5 C#CCCCCCCOCCSC 7a_100000230434_100012276617 [0,2,0,0,0,0|1,0,1]=4 12555 B12R0.5 C#CCCCCCCOCCSC 7a_100011217361_100000212216 [0,2,0,0,0,0|1,0,1]=4 12556 B12R0.5 C#CCCCCCCSCCC=C 62a_100000754431_100012276617 [0,2,0,0,0,0|1,0,1]=4 12557 B12R0.5 C#CCCCCCCSCCC=C 62a_100012276617_100000754431 [0,2,0,0,0,0|1,0,1]=4 12558 B12R0.5 C#CCCCCCCSCCCC 62a_100000210211_100012276617 [0,2,0,0,0,0|1,0,1]=4 12559 B12R0.5 C#CCCCCCCSCCCC 62a_100012276617_100000210210 [0,2,0,0,0,0|1,0,1]=4 12560 B12R0.5 C#CCCCCCCSCCCF 62a_100011934791_100012276617 [0,2,0,0,0,0|1,0,1]=4 12561 B12R0.5 C#CCCCCCCSCCCF 62a_100012276617_100011934791 [0,2,0,0,0,0|1,0,1]=4 12562 B12R0.5 C#CCCCCCCSCCCO 62a_100011215043_100012276617 [0,2,0,0,0,0|1,0,1]=4 12563 B12R0.5 C#CCCCCCCSCCCO 62a_100012276617_100011215043 [0,2,0,0,0,0|1,0,1]=4 12564 B12R0.5 C#CCCCCCCSCCOC 62a_100000233755_100012276617 [0,2,0,0,0,0|1,0,1]=4 12565 B12R0.5 C#CCCCCCCSCCOC 62a_100012276617_100000233755 [0,2,0,0,0,0|1,0,1]=4 12566 B12R0.5 C#CCCCCCCSCCSC 62a_100000212216_100012276617 [0,2,0,0,0,0|1,0,1]=4 12567 B12R0.5 C#CCCCCCCSCCSC 62a_100012276617_100000751147 [0,2,0,0,0,0|1,0,1]=4 12568 B12R0.5 C#CCCCCCCSCOCC 62a_100000739092_100012276617 [0,2,0,0,0,0|1,0,1]=4 12569 B12R0.5 C#CCCCCCCSCOCC 62a_100012276617_100000739092 [0,2,0,0,0,0|1,0,1]=4 12570 B12R0.5 C#CCCCCCNCCCC=C 2230a_100000700776_100012094781 [0,2,0,0,0,0|1,0,1]=4 12571 B12R0.5 C#CCCCCCNCCCC=C 34a_100000700776_100012094781 [0,2,0,0,0,0|1,0,1]=4 12572 B12R0.5 C#CCCCCCNCCCCC 2230a_100000209983_100012094781 [0,2,0,0,0,0|1,0,1]=4 12573 B12R0.5 C#CCCCCCNCCCCO 2230a_100000750430_100012094781 [0,2,0,0,0,0|1,0,1]=4 12574 B12R0.5 C#CCCCCCNCCCCO 34a_100000750430_100012094781 [0,2,0,0,0,0|1,0,1]=4 12575 B12R0.5 C#CCCCCCNCCCOC 34a_100150723488_100012094781 [0,2,0,0,0,0|1,0,1]=4 12576 B12R0.5 C#CCCCCCNCCCSC 2230a_100000749238_100012094781 [0,2,0,0,0,0|1,0,1]=4 12577 B12R0.5 C#CCCCCCNCCOCC 2230a_102516460346_100012094781 [0,2,0,0,0,0|1,0,1]=4 12578 B12R0.5 C#CCCCCCNCCOCC 34a_102516460346_100012094781 [0,2,0,0,0,0|1,0,1]=4 12579 B12R0.5 C#CCCCCCNCCSCC 2230a_100000106463_100012094781 [0,2,0,0,0,0|1,0,1]=4 12580 B12R0.5 C#CCCCCCOCCCC=C 34a_100000758997_100012094781 [0,2,0,0,0,0|1,0,1]=4 12581 B12R0.5 C#CCCCCCOCCCC=C 34a_100000766912_100000757094 [0,2,0,0,0,0|1,0,1]=4 12582 B12R0.5 C#CCCCCCOCCCC=C 7a_100000758997_100012094781 [0,2,0,0,0,0|1,0,1]=4 12583 B12R0.5 C#CCCCCCOCCCC=C 7a_100000766912_100000757094 [0,2,0,0,0,0|1,0,1]=4 12584 B12R0.5 C#CCCCCCOCCCC=O 7a_100000766912_200011292268 [0,2,0,0,0,0|0,0,1]=3 12585 B12R0.5 C#CCCCCCOCCCCBr 34a_100011216708_100012094781 [0,2,0,0,0,0|1,0,1]=4 12586 B12R0.5 C#CCCCCCOCCCCC 34a_100000210253_100012094781 [0,2,0,0,0,0|1,0,1]=4 12587 B12R0.5 C#CCCCCCOCCCCC 34a_100000766912_100000718602 [0,2,0,0,0,0|1,0,1]=4 12588 B12R0.5 C#CCCCCCOCCCCC 7a_100000210253_100012094781 [0,2,0,0,0,0|1,0,1]=4 12589 B12R0.5 C#CCCCCCOCCCCC 7a_100000766912_100000210326 [0,2,0,0,0,0|1,0,1]=4 12590 B12R0.5 C#CCCCCCOCCCCCl 34a_100000210776_100012094781 [0,2,0,0,0,0|1,0,1]=4 12591 B12R0.5 C#CCCCCCOCCCCCl 7a_100000210776_100012094781 [0,2,0,0,0,0|1,0,1]=4 12592 B12R0.5 C#CCCCCCOCCCCF 34a_100000766912_100000729493 [0,2,0,0,0,0|1,0,1]=4 12593 B12R0.5 C#CCCCCCOCCCCF 34a_100011995726_100012094781 [0,2,0,0,0,0|1,0,1]=4 12594 B12R0.5 C#CCCCCCOCCCCF 7a_100000766912_100000729493 [0,2,0,0,0,0|1,0,1]=4 12595 B12R0.5 C#CCCCCCOCCCCF 7a_100011995726_100012094781 [0,2,0,0,0,0|1,0,1]=4 12596 B12R0.5 C#CCCCCCOCCCCI 34a_200012148704_100012094781 [0,2,0,0,0,0|1,0,1]=4 12597 B12R0.5 C#CCCCCCOCCCCN 34a_100000750430_100012094781 [0,2,0,0,0,0|1,0,1]=4 12598 B12R0.5 C#CCCCCCOCCCCO 34a_100000766912_100011216708 [0,2,0,0,0,0|1,0,1]=4 12599 B12R0.5 C#CCCCCCOCCCCO 7a_100000766912_100000210776 [0,2,0,0,0,0|1,0,1]=4 12600 B12R0.5 C#CCCCCCOCCCNC 34a_100000213112_100012094781 [0,2,0,0,0,0|1,0,1]=4 12601 B12R0.5 C#CCCCCCOCCCOC 34a_100000740835_100012094781 [0,2,0,0,0,0|1,0,1]=4 12602 B12R0.5 C#CCCCCCOCCCOC 34a_100000766912_100000740836 [0,2,0,0,0,0|1,0,1]=4 12603 B12R0.5 C#CCCCCCOCCCOC 7a_100000766912_100000740836 [0,2,0,0,0,0|1,0,1]=4 12604 B12R0.5 C#CCCCCCOCCCSC 34a_100000690336_100012094781 [0,2,0,0,0,0|1,0,1]=4 12605 B12R0.5 C#CCCCCCOCCCSC 7a_100000690336_100012094781 [0,2,0,0,0,0|1,0,1]=4 12606 B12R0.5 C#CCCCCCOCCOCC 34a_100000210136_100012094781 [0,2,0,0,0,0|1,0,1]=4 12607 B12R0.5 C#CCCCCCOCCOCC 34a_100000766912_100000210147 [0,2,0,0,0,0|1,0,1]=4 12608 B12R0.5 C#CCCCCCOCCOCC 7a_100000210136_100012094781 [0,2,0,0,0,0|1,0,1]=4 12609 B12R0.5 C#CCCCCCOCCOCC 7a_100000766912_100011215890 [0,2,0,0,0,0|1,0,1]=4 12610 B12R0.5 C#CCCCCCOCCSCC 34a_100000212035_100012094781 [0,2,0,0,0,0|1,0,1]=4 12611 B12R0.5 C#CCCCCCOCCSCC 34a_100000766912_100000757381 [0,2,0,0,0,0|1,0,1]=4 12612 B12R0.5 C#CCCCCCOCCSCC 7a_100000212035_100012094781 [0,2,0,0,0,0|1,0,1]=4 12613 B12R0.5 C#CCCCCCOCCSCC 7a_100000766912_100000757381 [0,2,0,0,0,0|1,0,1]=4 12614 B12R0.5 C#CCCCCCSCCCC=C 62a_100011713584_100012094781 [0,2,0,0,0,0|1,0,1]=4 12615 B12R0.5 C#CCCCCCSCCCC=C 62a_100012094781_100000757094 [0,2,0,0,0,0|1,0,1]=4 12616 B12R0.5 C#CCCCCCSCCCC=O 62a_100012094781_200011292268 [0,2,0,0,0,0|0,0,1]=3 12617 B12R0.5 C#CCCCCCSCCCC=O 62a_200011292268_100012094781 [0,2,0,0,0,0|0,0,1]=3 12618 B12R0.5 C#CCCCCCSCCCCC 62a_100000210326_100012094781 [0,2,0,0,0,0|1,0,1]=4 12619 B12R0.5 C#CCCCCCSCCCCC 62a_100012094781_100000210326 [0,2,0,0,0,0|1,0,1]=4 12620 B12R0.5 C#CCCCCCSCCCCF 62a_100000729493_100012094781 [0,2,0,0,0,0|1,0,1]=4 12621 B12R0.5 C#CCCCCCSCCCCF 62a_100012094781_100000729493 [0,2,0,0,0,0|1,0,1]=4 12622 B12R0.5 C#CCCCCCSCCCCO 62a_100000210776_100012094781 [0,2,0,0,0,0|1,0,1]=4 12623 B12R0.5 C#CCCCCCSCCCCO 62a_100012094781_100000210776 [0,2,0,0,0,0|1,0,1]=4 12624 B12R0.5 C#CCCCCCSCCCOC 62a_100000709357_100012094781 [0,2,0,0,0,0|1,0,1]=4 12625 B12R0.5 C#CCCCCCSCCCOC 62a_100012094781_100000709357 [0,2,0,0,0,0|1,0,1]=4 12626 B12R0.5 C#CCCCCCSCCOCC 62a_100000210147_100012094781 [0,2,0,0,0,0|1,0,1]=4 12627 B12R0.5 C#CCCCCCSCCOCC 62a_100012094781_100011215890 [0,2,0,0,0,0|1,0,1]=4 12628 B12R0.5 C#CCCCCCSCCSCC 62a_100000757381_100012094781 [0,2,0,0,0,0|1,0,1]=4 12629 B12R0.5 C#CCCCCCSCCSCC 62a_100012094781_100000757381 [0,2,0,0,0,0|1,0,1]=4 12630 B12R0.5 C#CCCCCNCCCCC=C 2230a_100000703577_100010269958 [0,2,0,0,0,0|1,0,1]=4 12631 B12R0.5 C#CCCCCNCCCCC=C 2230a_100000706060_100011215482 [0,2,0,0,0,0|1,0,1]=4 12632 B12R0.5 C#CCCCCNCCCCC=C 34a_100000703577_100010269958 [0,2,0,0,0,0|1,0,1]=4 12633 B12R0.5 C#CCCCCNCCCCC=C 34a_100000706060_100011215482 [0,2,0,0,0,0|1,0,1]=4 12634 B12R0.5 C#CCCCCNCCCCC=O 2230a_100000706060_100000139335 [0,2,0,0,0,0|0,0,1]=3 12635 B12R0.5 C#CCCCCNCCCCCC 2230a_100000210581_100010269958 [0,2,0,0,0,0|1,0,1]=4 12636 B12R0.5 C#CCCCCNCCCCCC 2230a_100000706060_100000210314 [0,2,0,0,0,0|1,0,1]=4 12637 B12R0.5 C#CCCCCNCCCCCC 34a_100000706060_100000210314 [0,2,0,0,0,0|1,0,1]=4 12638 B12R0.5 C#CCCCCNCCCCCF 2230a_100000706060_100000729378 [0,2,0,0,0,0|1,0,1]=4 12639 B12R0.5 C#CCCCCNCCCCCF 34a_100000706060_100000729378 [0,2,0,0,0,0|1,0,1]=4 12640 B12R0.5 C#CCCCCNCCCCCO 2230a_100000706060_100000746330 [0,2,0,0,0,0|1,0,1]=4 12641 B12R0.5 C#CCCCCNCCCCCO 2230a_100000762737_100010269958 [0,2,0,0,0,0|1,0,1]=4 12642 B12R0.5 C#CCCCCNCCCCCO 34a_100000706060_100000746330 [0,2,0,0,0,0|1,0,1]=4 12643 B12R0.5 C#CCCCCNCCCCCO 34a_100000762737_100010269958 [0,2,0,0,0,0|1,0,1]=4 12644 B12R0.5 C#CCCCCNCCCCOC 2230a_100000706060_100000730899 [0,2,0,0,0,0|1,0,1]=4 12645 B12R0.5 C#CCCCCNCCCCOC 34a_100000706060_100000755781 [0,2,0,0,0,0|1,0,1]=4 12646 B12R0.5 C#CCCCCNCCCOCC 2230a_100000210961_100010269958 [0,2,0,0,0,0|1,0,1]=4 12647 B12R0.5 C#CCCCCNCCCOCC 2230a_100000706060_100012232248 [0,2,0,0,0,0|1,0,1]=4 12648 B12R0.5 C#CCCCCNCCCOCC 34a_100000210961_100010269958 [0,2,0,0,0,0|1,0,1]=4 12649 B12R0.5 C#CCCCCNCCCOCC 34a_100000706060_100012232248 [0,2,0,0,0,0|1,0,1]=4 12650 B12R0.5 C#CCCCCNCCOCCC 2230a_100000706060_100011215938 [0,2,0,0,0,0|1,0,1]=4 12651 B12R0.5 C#CCCCCNCCOCCC 2230a_100161115042_100010269958 [0,2,0,0,0,0|1,0,1]=4 12652 B12R0.5 C#CCCCCNCCOCCC 34a_100000706060_100011215938 [0,2,0,0,0,0|1,0,1]=4 12653 B12R0.5 C#CCCCCNCCOCCC 34a_100161115042_100010269958 [0,2,0,0,0,0|1,0,1]=4 12654 B12R0.5 C#CCCCCNCCSCCC 2230a_100020603323_100010269958 [0,2,0,0,0,0|1,0,1]=4 12655 B12R0.5 C#CCCCCNCOCCCC 2230a_100000706060_100011995733 [0,2,0,0,0,0|1,0,1]=4 12656 B12R0.5 C#CCCCCNCOCCCC 34a_100000706060_100011995733 [0,2,0,0,0,0|1,0,1]=4 12657 B12R0.5 C#CCCCCOCCCCC=C 34a_100000766645_100010269958 [0,2,0,0,0,0|1,0,1]=4 12658 B12R0.5 C#CCCCCOCCCCC=C 34a_100000766709_100011215482 [0,2,0,0,0,0|1,0,1]=4 12659 B12R0.5 C#CCCCCOCCCCC=C 7a_100000766645_100010269958 [0,2,0,0,0,0|1,0,1]=4 12660 B12R0.5 C#CCCCCOCCCCC=C 7a_100000766709_100011215482 [0,2,0,0,0,0|1,0,1]=4 12661 B12R0.5 C#CCCCCOCCCCC=O 7a_100000766709_100000139335 [0,2,0,0,0,0|0,0,1]=3 12662 B12R0.5 C#CCCCCOCCCCCBr 34a_100000746331_100010269958 [0,2,0,0,0,0|1,0,1]=4 12663 B12R0.5 C#CCCCCOCCCCCBr 7a_100000746331_100010269958 [0,2,0,0,0,0|1,0,1]=4 12664 B12R0.5 C#CCCCCOCCCCCC 34a_100000210259_100010269958 [0,2,0,0,0,0|1,0,1]=4 12665 B12R0.5 C#CCCCCOCCCCCC 34a_100000766709_100000210314 [0,2,0,0,0,0|1,0,1]=4 12666 B12R0.5 C#CCCCCOCCCCCC 7a_100000210259_100010269958 [0,2,0,0,0,0|1,0,1]=4 12667 B12R0.5 C#CCCCCOCCCCCC 7a_100000766709_100000210314 [0,2,0,0,0,0|1,0,1]=4 12668 B12R0.5 C#CCCCCOCCCCCCl 34a_100000746330_100010269958 [0,2,0,0,0,0|1,0,1]=4 12669 B12R0.5 C#CCCCCOCCCCCCl 7a_100000746330_100010269958 [0,2,0,0,0,0|1,0,1]=4 12670 B12R0.5 C#CCCCCOCCCCCF 34a_100000766709_100000729378 [0,2,0,0,0,0|1,0,1]=4 12671 B12R0.5 C#CCCCCOCCCCCF 7a_100000766709_100000729378 [0,2,0,0,0,0|1,0,1]=4 12672 B12R0.5 C#CCCCCOCCCCCI 34a_200012148887_100010269958 [0,2,0,0,0,0|1,0,1]=4 12673 B12R0.5 C#CCCCCOCCCCCI 7a_200012148887_100010269958 [0,2,0,0,0,0|1,0,1]=4 12674 B12R0.5 C#CCCCCOCCCCCN 34a_100000762737_100010269958 [0,2,0,0,0,0|1,0,1]=4 12675 B12R0.5 C#CCCCCOCCCCCO 34a_100000766709_100000746330 [0,2,0,0,0,0|1,0,1]=4 12676 B12R0.5 C#CCCCCOCCCCCO 7a_100000766709_100000746330 [0,2,0,0,0,0|1,0,1]=4 12677 B12R0.5 C#CCCCCOCCCCOC 34a_100000740925_100010269958 [0,2,0,0,0,0|1,0,1]=4 12678 B12R0.5 C#CCCCCOCCCCOC 34a_100000766709_100000755781 [0,2,0,0,0,0|1,0,1]=4 12679 B12R0.5 C#CCCCCOCCCCOC 7a_100000766709_100000730899 [0,2,0,0,0,0|1,0,1]=4 12680 B12R0.5 C#CCCCCOCCCCSC 34a_100011217163_100010269958 [0,2,0,0,0,0|1,0,1]=4 12681 B12R0.5 C#CCCCCOCCCCSC 7a_100011217163_100010269958 [0,2,0,0,0,0|1,0,1]=4 12682 B12R0.5 C#CCCCCOCCCOCC 34a_100000757476_100010269958 [0,2,0,0,0,0|1,0,1]=4 12683 B12R0.5 C#CCCCCOCCCOCC 34a_100000766709_100012232248 [0,2,0,0,0,0|1,0,1]=4 12684 B12R0.5 C#CCCCCOCCCOCC 7a_100000757476_100010269958 [0,2,0,0,0,0|1,0,1]=4 12685 B12R0.5 C#CCCCCOCCCOCC 7a_100000766709_100012232248 [0,2,0,0,0,0|1,0,1]=4 12686 B12R0.5 C#CCCCCOCCCSCC 34a_100011216438_100010269958 [0,2,0,0,0,0|1,0,1]=4 12687 B12R0.5 C#CCCCCOCCCSCC 7a_100011216438_100010269958 [0,2,0,0,0,0|1,0,1]=4 12688 B12R0.5 C#CCCCCOCCOCCC 34a_100000752267_100010269958 [0,2,0,0,0,0|1,0,1]=4 12689 B12R0.5 C#CCCCCOCCOCCC 34a_100000766709_100011215938 [0,2,0,0,0,0|1,0,1]=4 12690 B12R0.5 C#CCCCCOCCOCCC 7a_100000752267_100010269958 [0,2,0,0,0,0|1,0,1]=4 12691 B12R0.5 C#CCCCCOCCOCCC 7a_100000766709_100011215938 [0,2,0,0,0,0|1,0,1]=4 12692 B12R0.5 C#CCCCCOCCSCCC 34a_200000230433_100010269958 [0,2,0,0,0,0|1,0,1]=4 12693 B12R0.5 C#CCCCCOCCSCCC 7a_200000230433_100010269958 [0,2,0,0,0,0|1,0,1]=4 12694 B12R0.5 C#CCCCCOCOCCCC 34a_100000766709_100011995733 [0,2,0,0,0,0|1,0,1]=4 12695 B12R0.5 C#CCCCCSCCCCC=C 62a_100010269958_100011215482 [0,2,0,0,0,0|1,0,1]=4 12696 B12R0.5 C#CCCCCSCCCCC=C 62a_100011215482_100010269958 [0,2,0,0,0,0|1,0,1]=4 12697 B12R0.5 C#CCCCCSCCCCC=O 62a_100000139335_100010269958 [0,2,0,0,0,0|0,0,1]=3 12698 B12R0.5 C#CCCCCSCCCCC=O 62a_100010269958_100000139335 [0,2,0,0,0,0|0,0,1]=3 12699 B12R0.5 C#CCCCCSCCCCCC 62a_100000210314_100010269958 [0,2,0,0,0,0|1,0,1]=4 12700 B12R0.5 C#CCCCCSCCCCCC 62a_100010269958_100000210757 [0,2,0,0,0,0|1,0,1]=4 12701 B12R0.5 C#CCCCCSCCCCCF 62a_100000729378_100010269958 [0,2,0,0,0,0|1,0,1]=4 12702 B12R0.5 C#CCCCCSCCCCCF 62a_100010269958_100000729378 [0,2,0,0,0,0|1,0,1]=4 12703 B12R0.5 C#CCCCCSCCCCCO 62a_100000746330_100010269958 [0,2,0,0,0,0|1,0,1]=4 12704 B12R0.5 C#CCCCCSCCCCCO 62a_100010269958_100000746330 [0,2,0,0,0,0|1,0,1]=4 12705 B12R0.5 C#CCCCCSCCCCOC 62a_100000730899_100010269958 [0,2,0,0,0,0|1,0,1]=4 12706 B12R0.5 C#CCCCCSCCCCOC 62a_100010269958_100000730899 [0,2,0,0,0,0|1,0,1]=4 12707 B12R0.5 C#CCCCCSCCCOCC 62a_100010269958_100012232248 [0,2,0,0,0,0|1,0,1]=4 12708 B12R0.5 C#CCCCCSCCCOCC 62a_100012232248_100010269958 [0,2,0,0,0,0|1,0,1]=4 12709 B12R0.5 C#CCCCCSCCOCCC 62a_100010269958_100011215938 [0,2,0,0,0,0|1,0,1]=4 12710 B12R0.5 C#CCCCCSCCOCCC 62a_100011215938_100010269958 [0,2,0,0,0,0|1,0,1]=4 12711 B12R0.5 C#CCCCCSCOCCCC 62a_100010269958_100011995733 [0,2,0,0,0,0|1,0,1]=4 12712 B12R0.5 C#CCCCCSCOCCCC 62a_100011995733_100010269958 [0,2,0,0,0,0|1,0,1]=4 12713 B12R0.5 C#CCCCNCCCCCC=C 34a_100000718082_100000700193 [0,2,0,0,0,0|1,0,1]=4 12714 B12R0.5 C#CCCCNCCCCCCC 2230a_100000229938_100000731252 [0,2,0,0,0,0|1,0,1]=4 12715 B12R0.5 C#CCCCNCCCCCCC 34a_100000718082_100000210614 [0,2,0,0,0,0|1,0,1]=4 12716 B12R0.5 C#CCCCNCCCCCCF 34a_100000718082_100015922095 [0,2,0,0,0,0|1,0,1]=4 12717 B12R0.5 C#CCCCNCCCCCCO 2230a_100000686447_100000731252 [0,2,0,0,0,0|1,0,1]=4 12718 B12R0.5 C#CCCCNCCCCCCO 34a_100000686447_100000695029 [0,2,0,0,0,0|1,0,1]=4 12719 B12R0.5 C#CCCCNCCCCCCO 34a_100000718082_100000766143 [0,2,0,0,0,0|1,0,1]=4 12720 B12R0.5 C#CCCCNCCCCCOC 2230a_100000747528_100000731252 [0,2,0,0,0,0|1,0,1]=4 12721 B12R0.5 C#CCCCNCCCCCOC 34a_100000747528_100000695029 [0,2,0,0,0,0|1,0,1]=4 12722 B12R0.5 C#CCCCNCCCOCCC 2230a_100011217757_100000731252 [0,2,0,0,0,0|1,0,1]=4 12723 B12R0.5 C#CCCCNCCCOCCC 34a_100011217757_100000695029 [0,2,0,0,0,0|1,0,1]=4 12724 B12R0.5 C#CCCCNCCOCCCC 34a_100000718082_100000743108 [0,2,0,0,0,0|1,0,1]=4 12725 B12R0.5 C#CCCCNCCSCCCC 2230a_100025743550_100000731252 [0,2,0,0,0,0|1,0,1]=4 12726 B12R0.5 C#CCCCOCCCCCC=C 34a_100000215630_100000700193 [0,2,0,0,0,0|1,0,1]=4 12727 B12R0.5 C#CCCCOCCCCCC=C 34a_100011216702_100000695029 [0,2,0,0,0,0|1,0,1]=4 12728 B12R0.5 C#CCCCOCCCCCC=C 7a_100000215630_100000700193 [0,2,0,0,0,0|1,0,1]=4 12729 B12R0.5 C#CCCCOCCCCCC=C 7a_100011216702_100011215417 [0,2,0,0,0,0|1,0,1]=4 12730 B12R0.5 C#CCCCOCCCCCC=O 7a_100000215630_100000139337 [0,2,0,0,0,0|0,0,1]=3 12731 B12R0.5 C#CCCCOCCCCCCBr 34a_100011215345_100000695029 [0,2,0,0,0,0|1,0,1]=4 12732 B12R0.5 C#CCCCOCCCCCCBr 7a_100011215345_100011215417 [0,2,0,0,0,0|1,0,1]=4 12733 B12R0.5 C#CCCCOCCCCCCC 34a_100000210272_100000695029 [0,2,0,0,0,0|1,0,1]=4 12734 B12R0.5 C#CCCCOCCCCCCC 34a_100000215630_100000210614 [0,2,0,0,0,0|1,0,1]=4 12735 B12R0.5 C#CCCCOCCCCCCC 7a_100000210272_100011215417 [0,2,0,0,0,0|1,0,1]=4 12736 B12R0.5 C#CCCCOCCCCCCC 7a_100000215630_100000210614 [0,2,0,0,0,0|1,0,1]=4 12737 B12R0.5 C#CCCCOCCCCCCCl 34a_100000766143_100000695029 [0,2,0,0,0,0|1,0,1]=4 12738 B12R0.5 C#CCCCOCCCCCCCl 7a_100000766143_100011215417 [0,2,0,0,0,0|1,0,1]=4 12739 B12R0.5 C#CCCCOCCCCCCF 34a_100000215630_100015922095 [0,2,0,0,0,0|1,0,1]=4 12740 B12R0.5 C#CCCCOCCCCCCF 34a_100000732779_100000695029 [0,2,0,0,0,0|1,0,1]=4 12741 B12R0.5 C#CCCCOCCCCCCF 7a_100000215630_100015922095 [0,2,0,0,0,0|1,0,1]=4 12742 B12R0.5 C#CCCCOCCCCCCF 7a_100000732779_100011215417 [0,2,0,0,0,0|1,0,1]=4 12743 B12R0.5 C#CCCCOCCCCCCN 34a_100000686447_100000695029 [0,2,0,0,0,0|1,0,1]=4 12744 B12R0.5 C#CCCCOCCCCCCO 34a_100000215630_100000766143 [0,2,0,0,0,0|1,0,1]=4 12745 B12R0.5 C#CCCCOCCCCCCO 7a_100000215630_100000766143 [0,2,0,0,0,0|1,0,1]=4 12746 B12R0.5 C#CCCCOCCCCCNC 34a_100000722520_100000695029 [0,2,0,0,0,0|1,0,1]=4 12747 B12R0.5 C#CCCCOCCOCCCC 34a_100000210238_100000695029 [0,2,0,0,0,0|1,0,1]=4 12748 B12R0.5 C#CCCCOCCOCCCC 34a_100000215630_100000743108 [0,2,0,0,0,0|1,0,1]=4 12749 B12R0.5 C#CCCCOCCOCCCC 7a_100000210238_100011215417 [0,2,0,0,0,0|1,0,1]=4 12750 B12R0.5 C#CCCCOCCOCCCC 7a_100000215630_100000743108 [0,2,0,0,0,0|1,0,1]=4 12751 B12R0.5 C#CCCCOCCSCCCC 34a_200000230436_100000695029 [0,2,0,0,0,0|1,0,1]=4 12752 B12R0.5 C#CCCCOCCSCCCC 7a_200000230436_100011215417 [0,2,0,0,0,0|1,0,1]=4 12753 B12R0.5 C#CCCCSCCCCCC=C 62a_100000700193_100011215417 [0,2,0,0,0,0|1,0,1]=4 12754 B12R0.5 C#CCCCSCCCCCC=C 62a_100011215417_100000700193 [0,2,0,0,0,0|1,0,1]=4 12755 B12R0.5 C#CCCCSCCCCCC=O 62a_100000139337_100011215417 [0,2,0,0,0,0|0,0,1]=3 12756 B12R0.5 C#CCCCSCCCCCC=O 62a_100011215417_100000139337 [0,2,0,0,0,0|0,0,1]=3 12757 B12R0.5 C#CCCCSCCCCCCC 62a_100000210614_100011215417 [0,2,0,0,0,0|1,0,1]=4 12758 B12R0.5 C#CCCCSCCCCCCC 62a_100011215417_100000210316 [0,2,0,0,0,0|1,0,1]=4 12759 B12R0.5 C#CCCCSCCCCCCF 62a_100011215417_100015922095 [0,2,0,0,0,0|1,0,1]=4 12760 B12R0.5 C#CCCCSCCCCCCF 62a_100015922095_100011215417 [0,2,0,0,0,0|1,0,1]=4 12761 B12R0.5 C#CCCCSCCCCCCO 62a_100000766143_100011215417 [0,2,0,0,0,0|1,0,1]=4 12762 B12R0.5 C#CCCCSCCCCCCO 62a_100011215417_100000766143 [0,2,0,0,0,0|1,0,1]=4 12763 B12R0.5 C#CCCCSCCOCCCC 62a_100000743108_100011215417 [0,2,0,0,0,0|1,0,1]=4 12764 B12R0.5 C#CCCCSCCOCCCC 62a_100011215417_100000743108 [0,2,0,0,0,0|1,0,1]=4 12765 B12R0.5 C#CCCNCCCCCCC=C 34a_100000755551_100011215473 [0,2,0,0,0,0|1,0,1]=4 12766 B12R0.5 C#CCCNCCCCCCCC 2230a_100000229939_100000688953 [0,2,0,0,0,0|1,0,1]=4 12767 B12R0.5 C#CCCNCCCCCCCC 34a_100000229939_100000688953 [0,2,0,0,0,0|1,0,1]=4 12768 B12R0.5 C#CCCNCCCCCCCC 34a_100000755551_100000210759 [0,2,0,0,0,0|1,0,1]=4 12769 B12R0.5 C#CCCNCCCCCCCO 2230a_100011996573_100000688953 [0,2,0,0,0,0|1,0,1]=4 12770 B12R0.5 C#CCCNCCCCCCCO 34a_100000755551_100000760002 [0,2,0,0,0,0|1,0,1]=4 12771 B12R0.5 C#CCCNCCCCCCCO 34a_100011996573_100000688953 [0,2,0,0,0,0|1,0,1]=4 12772 B12R0.5 C#CCCNCCCCCCOC 34a_100000755551_100011998445 [0,2,0,0,0,0|1,0,1]=4 12773 B12R0.5 C#CCCNCCCOCCCC 2230a_200000211371_100000688953 [0,2,0,0,0,0|1,0,1]=4 12774 B12R0.5 C#CCCNCCCOCCCC 34a_200000211371_100000688953 [0,2,0,0,0,0|1,0,1]=4 12775 B12R0.5 C#CCCOCCCCCCC=C 34a_100011215631_100011215473 [0,2,0,0,0,0|1,0,1]=4 12776 B12R0.5 C#CCCOCCCCCCC=C 34a_200011216477_100000688953 [0,2,0,0,0,0|1,0,1]=4 12777 B12R0.5 C#CCCOCCCCCCC=C 7a_200011216477_100000688953 [0,2,0,0,0,0|1,0,1]=4 12778 B12R0.5 C#CCCOCCCCCCCBr 34a_100000760002_100000688953 [0,2,0,0,0,0|1,0,1]=4 12779 B12R0.5 C#CCCOCCCCCCCBr 7a_100000760002_100000688953 [0,2,0,0,0,0|1,0,1]=4 12780 B12R0.5 C#CCCOCCCCCCCC 34a_100000210232_100000688953 [0,2,0,0,0,0|1,0,1]=4 12781 B12R0.5 C#CCCOCCCCCCCC 34a_100011215631_100000210759 [0,2,0,0,0,0|1,0,1]=4 12782 B12R0.5 C#CCCOCCCCCCCC 7a_100000210232_100000688953 [0,2,0,0,0,0|1,0,1]=4 12783 B12R0.5 C#CCCOCCCCCCCN 34a_100011996573_100000688953 [0,2,0,0,0,0|1,0,1]=4 12784 B12R0.5 C#CCCOCCCCCCCO 34a_100011215631_100000760002 [0,2,0,0,0,0|1,0,1]=4 12785 B12R0.5 C#CCCOCCCCCCOC 34a_100011215631_100011998445 [0,2,0,0,0,0|1,0,1]=4 12786 B12R0.5 C#CCCOCCCCCCOC 34a_200012092642_100000688953 [0,2,0,0,0,0|1,0,1]=4 12787 B12R0.5 C#CCCOCCCCCCOC 7a_200012092642_100000688953 [0,2,0,0,0,0|1,0,1]=4 12788 B12R0.5 C#CCCOCCCOCCCC 34a_200011215613_100000688953 [0,2,0,0,0,0|1,0,1]=4 12789 B12R0.5 C#CCCOCCCOCCCC 7a_200011215613_100000688953 [0,2,0,0,0,0|1,0,1]=4 12790 B12R0.5 C#CCCOCCNCCCCC 34a_100000224656_100000688953 [0,2,0,0,0,0|1,0,1]=4 12791 B12R0.5 C#CCCOCCOCCCCC 34a_100011215259_100000688953 [0,2,0,0,0,0|1,0,1]=4 12792 B12R0.5 C#CCCOCCOCCCCC 7a_100011215259_100000688953 [0,2,0,0,0,0|1,0,1]=4 12793 B12R0.5 C#CCCSCCCCCCC=C 62a_100000688953_100011215473 [0,2,0,0,0,0|1,0,1]=4 12794 B12R0.5 C#CCCSCCCCCCC=C 62a_100011215473_100000688953 [0,2,0,0,0,0|1,0,1]=4 12795 B12R0.5 C#CCCSCCCCCCCC 62a_100000210759_100000688953 [0,2,0,0,0,0|1,0,1]=4 12796 B12R0.5 C#CCCSCCCCCCCC 62a_100000688953_100000210317 [0,2,0,0,0,0|1,0,1]=4 12797 B12R0.5 C#CCCSCCCCCCCO 62a_100000688953_100000760002 [0,2,0,0,0,0|1,0,1]=4 12798 B12R0.5 C#CCCSCCCCCCCO 62a_100000760002_100000688953 [0,2,0,0,0,0|1,0,1]=4 12799 B12R0.5 C#CCCSCCCCCCOC 62a_100000688953_100011998445 [0,2,0,0,0,0|1,0,1]=4 12800 B12R0.5 C#CCCSCCCCCCOC 62a_100011998445_100000688953 [0,2,0,0,0,0|1,0,1]=4 12801 B12R0.5 C#CCNCCCCCCCC=C 34a_100000212058_100012355270 [0,2,0,0,0,0|1,0,1]=4 12802 B12R0.5 C#CCNCCCCCCCCC 2230a_100000212291_100000038162 [0,2,0,0,0,0|1,0,1]=4 12803 B12R0.5 C#CCNCCCCCCCCC 34a_100000212058_100011214924 [0,2,0,0,0,0|1,0,1]=4 12804 B12R0.5 C#CCNCCCCCCCCC 34a_100000212291_100000184674 [0,2,0,0,0,0|1,0,1]=4 12805 B12R0.5 C#CCNCCCCCCCCO 2230a_102515433106_100000038162 [0,2,0,0,0,0|1,0,1]=4 12806 B12R0.5 C#CCNCCCCCCCCO 34a_100000212058_100000033203 [0,2,0,0,0,0|1,0,1]=4 12807 B12R0.5 C#CCNCCCCCCCCO 34a_102515433106_100000184674 [0,2,0,0,0,0|1,0,1]=4 12808 B12R0.5 C#CCOCCCCCCCC=C 34a_100000210247_100012355270 [0,2,0,0,0,0|1,0,1]=4 12809 B12R0.5 C#CCOCCCCCCCC=C 34a_100000730831_100000184674 [0,2,0,0,0,0|1,0,1]=4 12810 B12R0.5 C#CCOCCCCCCCC=C 7a_100000730831_100000038162 [0,2,0,0,0,0|1,0,1]=4 12811 B12R0.5 C#CCOCCCCCCCCBr 34a_100009813846_100000184674 [0,2,0,0,0,0|1,0,1]=4 12812 B12R0.5 C#CCOCCCCCCCCBr 7a_100009813846_100000038162 [0,2,0,0,0,0|1,0,1]=4 12813 B12R0.5 C#CCOCCCCCCCCC 34a_100000210247_100011214924 [0,2,0,0,0,0|1,0,1]=4 12814 B12R0.5 C#CCOCCCCCCCCC 34a_100000210712_100000184674 [0,2,0,0,0,0|1,0,1]=4 12815 B12R0.5 C#CCOCCCCCCCCC 7a_100000210712_100000038162 [0,2,0,0,0,0|1,0,1]=4 12816 B12R0.5 C#CCOCCCCCCCCCl 34a_100000033203_100000184674 [0,2,0,0,0,0|1,0,1]=4 12817 B12R0.5 C#CCOCCCCCCCCCl 7a_100000033203_100000038162 [0,2,0,0,0,0|1,0,1]=4 12818 B12R0.5 C#CCOCCCCCCCCN 34a_102515433106_100000184674 [0,2,0,0,0,0|1,0,1]=4 12819 B12R0.5 C#CCOCCCCCCCCO 34a_100000210247_100000033203 [0,2,0,0,0,0|1,0,1]=4 12820 B12R0.5 C#CCOCCCCCCOCC 34a_200011021349_100000210202 [0,2,0,0,0,0|1,0,1]=4 12821 B12R0.5 C#CCOCCCCCCOCC 7a_200011021349_100000210202 [0,2,0,0,0,0|1,0,1]=4 12822 B12R0.5 C#CCOCCCCNCCCC 34a_200011216965_100000184674 [0,2,0,0,0,0|1,0,1]=4 12823 B12R0.5 C#CCOCCCCOCCCC 34a_200000760531_100000184674 [0,2,0,0,0,0|1,0,1]=4 12824 B12R0.5 C#CCOCCCCOCCCC 7a_200000760531_100000038162 [0,2,0,0,0,0|1,0,1]=4 12825 B12R0.5 C#CCOCCNCCCCC=O 2230a_100000700922_100000139335 [0,2,0,0,0,0|0,0,2]=4 12826 B12R0.5 C#CCOCCNCCCCCC 2230a_100000210581_100010402529 [0,2,0,0,0,0|1,0,1]=4 12827 B12R0.5 C#CCOCCNCCCCCC 2230a_100000700922_100000210314 [0,2,0,0,0,0|1,0,1]=4 12828 B12R0.5 C#CCOCCNCCCCCC 34a_100000700922_100000210314 [0,2,0,0,0,0|1,0,1]=4 12829 B12R0.5 C#CCOCCOCCCCC=O 7a_100000054580_100000139335 [0,2,0,0,0,0|0,0,2]=4 12830 B12R0.5 C#CCOCCOCCCCCC 34a_100000054580_100000210314 [0,2,0,0,0,0|1,0,1]=4 12831 B12R0.5 C#CCOCCOCCCCCC 34a_100000210259_100010402529 [0,2,0,0,0,0|1,0,1]=4 12832 B12R0.5 C#CCOCCOCCCCCC 34a_100000691444_100000184674 [0,2,0,0,0,0|1,0,1]=4 12833 B12R0.5 C#CCOCCOCCCCCC 7a_100000054580_100000210314 [0,2,0,0,0,0|1,0,1]=4 12834 B12R0.5 C#CCOCCOCCCCCC 7a_100000210259_100010402529 [0,2,0,0,0,0|1,0,1]=4 12835 B12R0.5 C#CCOCCOCCCCCC 7a_100000691444_100000038162 [0,2,0,0,0,0|1,0,1]=4 12836 B12R0.5 C#CCOCCSCCCCC=O 62a_100000139335_100010402529 [0,2,0,0,0,0|0,0,2]=4 12837 B12R0.5 C#CCOCCSCCCCC=O 62a_100010402529_100000139335 [0,2,0,0,0,0|0,0,2]=4 12838 B12R0.5 C#CCOCCSCCCCCC 62a_100000210314_100010402529 [0,2,0,0,0,0|1,0,1]=4 12839 B12R0.5 C#CCOCCSCCCCCC 62a_100010402529_100000210757 [0,2,0,0,0,0|1,0,1]=4 12840 B12R0.5 C#CCSCCCCCCCC=C 62a_100000038162_100012355270 [0,2,0,0,0,0|1,0,1]=4 12841 B12R0.5 C#CCSCCCCCCCCC 62a_100000038162_100000210670 [0,2,0,0,0,0|1,0,1]=4 12842 B12R0.5 C#CCSCCCCCCCCO 62a_100000038162_100000033203 [0,2,0,0,0,0|1,0,1]=4 12843 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [0,2,0,0,0,0|1,0,0]=3 12844 B12R0.5 C/C=C/CCOCCCCCCF 34a_100016278192_100015922095 [0,2,0,0,0,0|1,0,1]=4 12845 B12R0.5 C/C=C/CCOCCCCCCO 34a_100016278192_100000766143 [0,2,0,0,0,0|1,0,1]=4 12846 B12R0.5 C/C=C/CCOCCOCCCC 34a_100016278192_100000743108 [0,2,0,0,0,0|1,0,1]=4 12847 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [0,2,0,0,0,0|1,0,0]=3 12848 B12R0.5 C/C=C/CNCCCCCCCO 34a_100011996573_100102629194 [0,2,0,0,0,0|1,0,1]=4 12849 B12R0.5 C/C=C/CNCCCOCCCC 34a_200000211371_100102629194 [0,2,0,0,0,0|1,0,1]=4 12850 B12R0.5 C/C=C/COCCCCCCCBr 34a_100000760002_100102629194 [0,2,0,0,0,0|1,0,1]=4 12851 B12R0.5 C/C=C/COCCCCCCCBr 7a_100000760002_100102629194 [0,2,0,0,0,0|1,0,1]=4 12852 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [0,2,0,0,0,0|1,0,0]=3 12853 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [0,2,0,0,0,0|1,0,0]=3 12854 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [0,2,0,0,0,0|1,0,0]=3 12855 B12R0.5 C/C=C/COCCCCCCCN 34a_100011996573_100102629194 [0,2,0,0,0,0|1,0,1]=4 12856 B12R0.5 C/C=C/COCCCCCCCO 34a_100016270725_100000760002 [0,2,0,0,0,0|1,0,1]=4 12857 B12R0.5 C/C=C/COCCCCCCOC 34a_100016270725_100011998445 [0,2,0,0,0,0|1,0,1]=4 12858 B12R0.5 C/C=C/COCCCCCCOC 34a_200012092642_100102629194 [0,2,0,0,0,0|1,0,1]=4 12859 B12R0.5 C/C=C/COCCCCCCOC 7a_200012092642_100102629194 [0,2,0,0,0,0|1,0,1]=4 12860 B12R0.5 C/C=C/COCCCOCCCC 34a_200011215613_100102629194 [0,2,0,0,0,0|1,0,1]=4 12861 B12R0.5 C/C=C/COCCCOCCCC 7a_200011215613_100102629194 [0,2,0,0,0,0|1,0,1]=4 12862 B12R0.5 C/C=C/COCCNCCCCC 34a_100000224656_100102629194 [0,2,0,0,0,0|1,0,1]=4 12863 B12R0.5 C/C=C/COCCOCCCCC 34a_100011215259_100102629194 [0,2,0,0,0,0|1,0,1]=4 12864 B12R0.5 C/C=C/COCCOCCCCC 7a_100011215259_100102629194 [0,2,0,0,0,0|1,0,1]=4 12865 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [0,2,0,0,0,0|1,0,0]=3 12866 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [0,2,0,0,0,0|1,0,0]=3 12867 B12R0.5 C/C=C/CSCCCCCCCO 62a_100000760002_100102629194 [0,2,0,0,0,0|1,0,1]=4 12868 B12R0.5 C/C=C/CSCCCCCCCO 62a_100102629194_100000760002 [0,2,0,0,0,0|1,0,1]=4 12869 B12R0.5 C/C=C/CSCCCCCCOC 62a_100011998445_100102629194 [0,2,0,0,0,0|1,0,1]=4 12870 B12R0.5 C/C=C/CSCCCCCCOC 62a_100102629194_100011998445 [0,2,0,0,0,0|1,0,1]=4 12871 B12R0.5 C=CCCC/C=C/COCCCC 34a_200016268473_100000210210 [0,2,0,0,0,0|1,0,1]=4 12872 B12R0.5 C=CCCC/C=C/COCCCC 7a_200016268473_100000210211 [0,2,0,0,0,0|1,0,1]=4 12873 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [0,2,0,0,0,0|1,0,0]=3 12874 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [0,2,0,0,0,0|1,0,0]=3 12875 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [0,2,0,0,0,0|1,0,0]=3 12876 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [0,2,0,0,0,0|1,0,0]=3 12877 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [0,2,0,0,0,0|1,0,0]=3 12878 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [0,2,0,0,0,0|1,0,0]=3 12879 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [0,2,0,0,0,0|1,0,0]=3 12880 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [0,2,0,0,0,0|1,0,0]=3 12881 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [0,2,0,0,0,0|1,0,0]=3 12882 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [0,2,0,0,0,0|1,0,0]=3 12883 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [0,2,0,0,0,0|1,0,0]=3 12884 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [0,2,0,0,0,0|1,0,0]=3 12885 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [0,2,0,0,0,0|1,0,0]=3 12886 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [0,2,0,0,0,0|1,0,0]=3 12887 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [0,2,0,0,0,0|1,0,0]=3 12888 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [0,2,0,0,0,0|1,0,0]=3 12889 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [0,2,0,0,0,0|1,0,0]=3 12890 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [0,2,0,0,0,0|1,0,0]=3 12891 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [0,2,0,0,0,0|1,0,0]=3 12892 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [0,2,0,0,0,0|1,0,0]=3 12893 B12R0.5 C=CCCCCCCCCOCF 34a_100011215194_100015361967 [0,2,0,0,0,0|1,0,0]=3 12894 B12R0.5 C=CCCCCCCCCOCF 7a_100011215194_100015361967 [0,2,0,0,0,0|1,0,0]=3 12895 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [0,2,0,0,0,0|1,0,0]=3 12896 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [0,2,0,0,0,0|1,0,0]=3 12897 B12R0.5 C=CCCCCCCCCSCF 62a_100011933949_100015361967 [0,2,0,0,0,0|1,0,0]=3 12898 B12R0.5 C=CCCCCCCCCSCF 62a_100015361967_100011933949 [0,2,0,0,0,0|1,0,0]=3 12899 B12R0.5 C=CCCCCCCCNCC=C 2230a_100020586998_100012355270 [0,2,0,0,0,0|1,0,1]=4 12900 B12R0.5 C=CCCCCCCCNCCF 34a_100000724931_100012355270 [0,2,0,0,0,0|1,0,0]=3 12901 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [0,2,0,0,0,0|1,0,0]=3 12902 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [0,2,0,0,0,0|1,0,0]=3 12903 B12R0.5 C=CCCCCCCCOCC#N 7a_100000730831_100011215382 [0,2,0,0,0,0|1,0,1]=4 12904 B12R0.5 C=CCCCCCCCOCC=C 34a_100000730831_100015514636 [0,2,0,0,0,0|1,0,1]=4 12905 B12R0.5 C=CCCCCCCCOCC=C 34a_200000210373_100012355270 [0,2,0,0,0,0|1,0,1]=4 12906 B12R0.5 C=CCCCCCCCOCC=C 7a_100000730831_100015514636 [0,2,0,0,0,0|1,0,1]=4 12907 B12R0.5 C=CCCCCCCCOCC=O 34a_100000730831_200009817547 [0,2,0,0,0,0|0,0,1]=3 12908 B12R0.5 C=CCCCCCCCOCC=O 7a_100000730831_200015260668 [0,2,0,0,0,0|0,0,1]=3 12909 B12R0.5 C=CCCCCCCCOCCBr 34a_100000211926_100012355270 [0,2,0,0,0,0|1,0,0]=3 12910 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [0,2,0,0,0,0|1,0,0]=3 12911 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [0,2,0,0,0,0|1,0,0]=3 12912 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [0,2,0,0,0,0|1,0,0]=3 12913 B12R0.5 C=CCCCCCCCOCCF 34a_100000730831_100011217306 [0,2,0,0,0,0|1,0,0]=3 12914 B12R0.5 C=CCCCCCCCOCCF 7a_100000730831_100011217306 [0,2,0,0,0,0|1,0,0]=3 12915 B12R0.5 C=CCCCCCCCOCCN 34a_100000210304_100012355270 [0,2,0,0,0,0|1,0,0]=3 12916 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [0,2,0,0,0,0|1,0,0]=3 12917 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [0,2,0,0,0,0|1,0,0]=3 12918 B12R0.5 C=CCCCCCCCOCSC 34a_100000730831_100011218213 [0,2,0,0,0,0|1,0,0]=3 12919 B12R0.5 C=CCCCCCCCSCC#N 62a_100011215382_100012355270 [0,2,0,0,0,0|1,0,1]=4 12920 B12R0.5 C=CCCCCCCCSCC#N 62a_100012355270_100011215382 [0,2,0,0,0,0|1,0,1]=4 12921 B12R0.5 C=CCCCCCCCSCC=C 62a_100000210623_100012355270 [0,2,0,0,0,0|1,0,1]=4 12922 B12R0.5 C=CCCCCCCCSCC=C 62a_100012355270_100000210623 [0,2,0,0,0,0|1,0,1]=4 12923 B12R0.5 C=CCCCCCCCSCC=O 62a_100012355270_200015260668 [0,2,0,0,0,0|0,0,1]=3 12924 B12R0.5 C=CCCCCCCCSCC=O 62a_200015260668_100012355270 [0,2,0,0,0,0|0,0,1]=3 12925 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [0,2,0,0,0,0|1,0,0]=3 12926 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [0,2,0,0,0,0|1,0,0]=3 12927 B12R0.5 C=CCCCCCCCSCCF 62a_100011217306_100012355270 [0,2,0,0,0,0|1,0,0]=3 12928 B12R0.5 C=CCCCCCCCSCCF 62a_100012355270_100011217306 [0,2,0,0,0,0|1,0,0]=3 12929 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [0,2,0,0,0,0|1,0,0]=3 12930 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [0,2,0,0,0,0|1,0,0]=3 12931 B12R0.5 C=CCCCCCCCSCOC 62a_100000766300_100012355270 [0,2,0,0,0,0|1,0,0]=3 12932 B12R0.5 C=CCCCCCCCSCOC 62a_100012355270_100000766300 [0,2,0,0,0,0|1,0,0]=3 12933 B12R0.5 C=CCCCCCCCSCSC 62a_100011218213_100012355270 [0,2,0,0,0,0|1,0,0]=3 12934 B12R0.5 C=CCCCCCCCSCSC 62a_100012355270_100011218213 [0,2,0,0,0,0|1,0,0]=3 12935 B12R0.5 C=CCCCCCCNCC#CC 2230a_100000685387_100011215473 [0,2,0,0,0,0|1,0,1]=4 12936 B12R0.5 C=CCCCCCCNCC#CC 34a_100000685387_100011215473 [0,2,0,0,0,0|1,0,1]=4 12937 B12R0.5 C=CCCCCCCNCCC=C 2230a_100015191253_100011215473 [0,2,0,0,0,0|1,0,1]=4 12938 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [0,2,0,0,0,0|1,0,0]=3 12939 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [0,2,0,0,0,0|1,0,0]=3 12940 B12R0.5 C=CCCCCCCNCCCF 2230a_100015189416_100011215473 [0,2,0,0,0,0|1,0,0]=3 12941 B12R0.5 C=CCCCCCCNCCCF 34a_100015189416_100011215473 [0,2,0,0,0,0|1,0,0]=3 12942 B12R0.5 C=CCCCCCCNCCOC 2230a_100000209980_100011215473 [0,2,0,0,0,0|1,0,0]=3 12943 B12R0.5 C=CCCCCCCNCCSC 2230a_100020590264_100011215473 [0,2,0,0,0,0|1,0,0]=3 12944 B12R0.5 C=CCCCCCCOC/C=C/C 34a_100016270725_100011215473 [0,2,0,0,0,0|1,0,1]=4 12945 B12R0.5 C=CCCCCCCOC/C=C/C 34a_200011216477_100102629194 [0,2,0,0,0,0|1,0,1]=4 12946 B12R0.5 C=CCCCCCCOC/C=C/C 7a_200011216477_100102629194 [0,2,0,0,0,0|1,0,1]=4 12947 B12R0.5 C=CCCCCCCOCC#CC 34a_100000761923_100011215473 [0,2,0,0,0,0|1,0,1]=4 12948 B12R0.5 C=CCCCCCCOCC#CC 34a_200011216477_100000748600 [0,2,0,0,0,0|1,0,1]=4 12949 B12R0.5 C=CCCCCCCOCC#CC 7a_200011216477_100000748600 [0,2,0,0,0,0|1,0,1]=4 12950 B12R0.5 C=CCCCCCCOCC=CC 34a_200011216477_100000070051 [0,2,0,0,0,0|1,0,1]=4 12951 B12R0.5 C=CCCCCCCOCC=CC 7a_200011216477_100000070051 [0,2,0,0,0,0|1,0,1]=4 12952 B12R0.5 C=CCCCCCCOCCC#N 7a_200011216477_100000184422 [0,2,0,0,0,0|1,0,1]=4 12953 B12R0.5 C=CCCCCCCOCCC=C 34a_100011205117_100011215473 [0,2,0,0,0,0|1,0,1]=4 12954 B12R0.5 C=CCCCCCCOCCC=C 34a_200011216477_100000754431 [0,2,0,0,0,0|1,0,1]=4 12955 B12R0.5 C=CCCCCCCOCCC=C 7a_200011216477_100000754431 [0,2,0,0,0,0|1,0,1]=4 12956 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [0,2,0,0,0,0|1,0,0]=3 12957 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [0,2,0,0,0,0|1,0,0]=3 12958 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [0,2,0,0,0,0|1,0,0]=3 12959 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [0,2,0,0,0,0|1,0,0]=3 12960 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [0,2,0,0,0,0|1,0,0]=3 12961 B12R0.5 C=CCCCCCCOCCCCl 34a_100000230001_100011215473 [0,2,0,0,0,0|1,0,0]=3 12962 B12R0.5 C=CCCCCCCOCCCF 34a_100000759539_100011215473 [0,2,0,0,0,0|1,0,0]=3 12963 B12R0.5 C=CCCCCCCOCCCF 34a_200011216477_100011934791 [0,2,0,0,0,0|1,0,0]=3 12964 B12R0.5 C=CCCCCCCOCCCF 7a_200011216477_100011934791 [0,2,0,0,0,0|1,0,0]=3 12965 B12R0.5 C=CCCCCCCOCCCN 34a_100000182051_100011215473 [0,2,0,0,0,0|1,0,0]=3 12966 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [0,2,0,0,0,0|1,0,0]=3 12967 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [0,2,0,0,0,0|1,0,0]=3 12968 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [0,2,0,0,0,0|1,0,0]=3 12969 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [0,2,0,0,0,0|1,0,0]=3 12970 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [0,2,0,0,0,0|1,0,0]=3 12971 B12R0.5 C=CCCCCCCOCCON 34a_100000700252_100011215473 [0,2,0,0,0,0|2,0,0]=4 12972 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [0,2,0,0,0,0|1,0,0]=3 12973 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [0,2,0,0,0,0|1,0,0]=3 12974 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [0,2,0,0,0,0|1,0,0]=3 12975 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [0,2,0,0,0,0|1,0,0]=3 12976 B12R0.5 C=CCCCCCCSC/C=C/C 62a_100011215473_100102629194 [0,2,0,0,0,0|1,0,1]=4 12977 B12R0.5 C=CCCCCCCSC/C=C/C 62a_100102629194_100011215473 [0,2,0,0,0,0|1,0,1]=4 12978 B12R0.5 C=CCCCCCCSCC#CC 62a_100000748600_100011215473 [0,2,0,0,0,0|1,0,1]=4 12979 B12R0.5 C=CCCCCCCSCC#CC 62a_100011215473_100000748600 [0,2,0,0,0,0|1,0,1]=4 12980 B12R0.5 C=CCCCCCCSCC=CC 62a_100000070051_100011215473 [0,2,0,0,0,0|1,0,1]=4 12981 B12R0.5 C=CCCCCCCSCC=CC 62a_100011215473_100000070051 [0,2,0,0,0,0|1,0,1]=4 12982 B12R0.5 C=CCCCCCCSCCC#N 62a_100011215226_100011215473 [0,2,0,0,0,0|1,0,1]=4 12983 B12R0.5 C=CCCCCCCSCCC#N 62a_100011215473_100011215226 [0,2,0,0,0,0|1,0,1]=4 12984 B12R0.5 C=CCCCCCCSCCC=C 62a_100000754431_100011215473 [0,2,0,0,0,0|1,0,1]=4 12985 B12R0.5 C=CCCCCCCSCCC=C 62a_100011215473_100000754431 [0,2,0,0,0,0|1,0,1]=4 12986 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [0,2,0,0,0,0|1,0,0]=3 12987 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [0,2,0,0,0,0|1,0,0]=3 12988 B12R0.5 C=CCCCCCCSCCCF 62a_100011215473_100011934791 [0,2,0,0,0,0|1,0,0]=3 12989 B12R0.5 C=CCCCCCCSCCCF 62a_100011934791_100011215473 [0,2,0,0,0,0|1,0,0]=3 12990 B12R0.5 C=CCCCCCCSCCCO 62a_100011215043_100011215473 [0,2,0,0,0,0|1,0,0]=3 12991 B12R0.5 C=CCCCCCCSCCCO 62a_100011215473_100011215043 [0,2,0,0,0,0|1,0,0]=3 12992 B12R0.5 C=CCCCCCCSCCOC 62a_100000233755_100011215473 [0,2,0,0,0,0|1,0,0]=3 12993 B12R0.5 C=CCCCCCCSCCOC 62a_100011215473_100000233755 [0,2,0,0,0,0|1,0,0]=3 12994 B12R0.5 C=CCCCCCCSCCSC 62a_100000212216_100011215473 [0,2,0,0,0,0|1,0,0]=3 12995 B12R0.5 C=CCCCCCCSCCSC 62a_100011215473_100000751147 [0,2,0,0,0,0|1,0,0]=3 12996 B12R0.5 C=CCCCCCCSCOCC 62a_100000739092_100011215473 [0,2,0,0,0,0|1,0,0]=3 12997 B12R0.5 C=CCCCCCCSCOCC 62a_100011215473_100000739092 [0,2,0,0,0,0|1,0,0]=3 12998 B12R0.5 C=CCCCCCNCCCC=C 2230a_100000700776_100000700193 [0,2,0,0,0,0|1,0,1]=4 12999 B12R0.5 C=CCCCCCNCCCC=C 34a_100000700776_100000700193 [0,2,0,0,0,0|1,0,1]=4 13000 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [0,2,0,0,0,0|1,0,0]=3 13001 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [0,2,0,0,0,0|1,0,0]=3 13002 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [0,2,0,0,0,0|1,0,0]=3 13003 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [0,2,0,0,0,0|1,0,0]=3 13004 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [0,2,0,0,0,0|1,0,0]=3 13005 B12R0.5 C=CCCCCCNCCOCC 2230a_102516460346_100000700193 [0,2,0,0,0,0|1,0,0]=3 13006 B12R0.5 C=CCCCCCNCCOCC 34a_102516460346_100000700193 [0,2,0,0,0,0|1,0,0]=3 13007 B12R0.5 C=CCCCCCNCCSCC 2230a_100000106463_100000700193 [0,2,0,0,0,0|1,0,0]=3 13008 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100011216702_100103147603 [0,2,0,0,0,0|1,0,1]=4 13009 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100016268518_100000700193 [0,2,0,0,0,0|1,0,1]=4 13010 B12R0.5 C=CCCCCCOC/C=C\CC 7a_100011216702_100103147603 [0,2,0,0,0,0|1,0,1]=4 13011 B12R0.5 C=CCCCCCOCC#CCC 34a_100000032950_100000700193 [0,2,0,0,0,0|1,0,1]=4 13012 B12R0.5 C=CCCCCCOCC#CCC 34a_100011216702_100009813939 [0,2,0,0,0,0|1,0,1]=4 13013 B12R0.5 C=CCCCCCOCC#CCC 7a_100011216702_100009813939 [0,2,0,0,0,0|1,0,1]=4 13014 B12R0.5 C=CCCCCCOCC/C=C/C 34a_100016278192_100000700193 [0,2,0,0,0,0|1,0,1]=4 13015 B12R0.5 C=CCCCCCOCCC#CC 34a_100000750427_100000700193 [0,2,0,0,0,0|1,0,1]=4 13016 B12R0.5 C=CCCCCCOCCCC#N 7a_100011216702_100000687738 [0,2,0,0,0,0|1,0,1]=4 13017 B12R0.5 C=CCCCCCOCCCC=C 34a_100000758997_100000700193 [0,2,0,0,0,0|1,0,1]=4 13018 B12R0.5 C=CCCCCCOCCCC=C 34a_100011216702_100000757094 [0,2,0,0,0,0|1,0,1]=4 13019 B12R0.5 C=CCCCCCOCCCC=C 7a_100000758997_100000700193 [0,2,0,0,0,0|1,0,1]=4 13020 B12R0.5 C=CCCCCCOCCCC=C 7a_100011216702_100000757094 [0,2,0,0,0,0|1,0,1]=4 13021 B12R0.5 C=CCCCCCOCCCC=O 7a_100011216702_200011292268 [0,2,0,0,0,0|0,0,1]=3 13022 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [0,2,0,0,0,0|1,0,0]=3 13023 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [0,2,0,0,0,0|1,0,0]=3 13024 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [0,2,0,0,0,0|1,0,0]=3 13025 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [0,2,0,0,0,0|1,0,0]=3 13026 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [0,2,0,0,0,0|1,0,0]=3 13027 B12R0.5 C=CCCCCCOCCCCCl 34a_100000210776_100000700193 [0,2,0,0,0,0|1,0,0]=3 13028 B12R0.5 C=CCCCCCOCCCCCl 7a_100000210776_100000700193 [0,2,0,0,0,0|1,0,0]=3 13029 B12R0.5 C=CCCCCCOCCCCF 34a_100011216702_100000729493 [0,2,0,0,0,0|1,0,0]=3 13030 B12R0.5 C=CCCCCCOCCCCF 34a_100011995726_100000700193 [0,2,0,0,0,0|1,0,0]=3 13031 B12R0.5 C=CCCCCCOCCCCF 7a_100011216702_100000729493 [0,2,0,0,0,0|1,0,0]=3 13032 B12R0.5 C=CCCCCCOCCCCF 7a_100011995726_100000700193 [0,2,0,0,0,0|1,0,0]=3 13033 B12R0.5 C=CCCCCCOCCCCI 34a_200012148704_100000700193 [0,2,0,0,0,0|1,0,0]=3 13034 B12R0.5 C=CCCCCCOCCCCN 34a_100000750430_100000700193 [0,2,0,0,0,0|1,0,0]=3 13035 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [0,2,0,0,0,0|1,0,0]=3 13036 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [0,2,0,0,0,0|1,0,0]=3 13037 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [0,2,0,0,0,0|1,0,0]=3 13038 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [0,2,0,0,0,0|1,0,0]=3 13039 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [0,2,0,0,0,0|1,0,0]=3 13040 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [0,2,0,0,0,0|1,0,0]=3 13041 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [0,2,0,0,0,0|1,0,0]=3 13042 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [0,2,0,0,0,0|1,0,0]=3 13043 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [0,2,0,0,0,0|1,0,0]=3 13044 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [0,2,0,0,0,0|1,0,0]=3 13045 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [0,2,0,0,0,0|1,0,0]=3 13046 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [0,2,0,0,0,0|1,0,0]=3 13047 B12R0.5 C=CCCCCCOCCSCC 34a_100000212035_100000700193 [0,2,0,0,0,0|1,0,0]=3 13048 B12R0.5 C=CCCCCCOCCSCC 34a_100011216702_100000757381 [0,2,0,0,0,0|1,0,0]=3 13049 B12R0.5 C=CCCCCCOCCSCC 7a_100000212035_100000700193 [0,2,0,0,0,0|1,0,0]=3 13050 B12R0.5 C=CCCCCCOCCSCC 7a_100011216702_100000757381 [0,2,0,0,0,0|1,0,0]=3 13051 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100000700193_100103147603 [0,2,0,0,0,0|1,0,1]=4 13052 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100103147603_100000700193 [0,2,0,0,0,0|1,0,1]=4 13053 B12R0.5 C=CCCCCCSCC#CCC 62a_100000700193_100009813939 [0,2,0,0,0,0|1,0,1]=4 13054 B12R0.5 C=CCCCCCSCC#CCC 62a_100009813939_100000700193 [0,2,0,0,0,0|1,0,1]=4 13055 B12R0.5 C=CCCCCCSCCCC#N 62a_100000687738_100000700193 [0,2,0,0,0,0|1,0,1]=4 13056 B12R0.5 C=CCCCCCSCCCC#N 62a_100000700193_100000687738 [0,2,0,0,0,0|1,0,1]=4 13057 B12R0.5 C=CCCCCCSCCCC=C 62a_100000700193_100000757094 [0,2,0,0,0,0|1,0,1]=4 13058 B12R0.5 C=CCCCCCSCCCC=C 62a_100011713584_100000700193 [0,2,0,0,0,0|1,0,1]=4 13059 B12R0.5 C=CCCCCCSCCCC=O 62a_100000700193_200011292268 [0,2,0,0,0,0|0,0,1]=3 13060 B12R0.5 C=CCCCCCSCCCC=O 62a_200011292268_100000700193 [0,2,0,0,0,0|0,0,1]=3 13061 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [0,2,0,0,0,0|1,0,0]=3 13062 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [0,2,0,0,0,0|1,0,0]=3 13063 B12R0.5 C=CCCCCCSCCCCF 62a_100000700193_100000729493 [0,2,0,0,0,0|1,0,0]=3 13064 B12R0.5 C=CCCCCCSCCCCF 62a_100000729493_100000700193 [0,2,0,0,0,0|1,0,0]=3 13065 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [0,2,0,0,0,0|1,0,0]=3 13066 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [0,2,0,0,0,0|1,0,0]=3 13067 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [0,2,0,0,0,0|1,0,0]=3 13068 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [0,2,0,0,0,0|1,0,0]=3 13069 B12R0.5 C=CCCCCCSCCOCC 62a_100000210147_100000700193 [0,2,0,0,0,0|1,0,0]=3 13070 B12R0.5 C=CCCCCCSCCOCC 62a_100000700193_100011215890 [0,2,0,0,0,0|1,0,0]=3 13071 B12R0.5 C=CCCCCCSCCSCC 62a_100000700193_100000757381 [0,2,0,0,0,0|1,0,0]=3 13072 B12R0.5 C=CCCCCCSCCSCC 62a_100000757381_100000700193 [0,2,0,0,0,0|1,0,0]=3 13073 B12R0.5 C=CCCCCNCC/C=C\CC 2230a_100000703577_100015370543 [0,2,0,0,0,0|1,0,1]=4 13074 B12R0.5 C=CCCCCNCC/C=C\CC 34a_100000703577_100015370543 [0,2,0,0,0,0|1,0,1]=4 13075 B12R0.5 C=CCCCCNCCCCC#N 2230a_100000703577_100000211819 [0,2,0,0,0,0|1,0,1]=4 13076 B12R0.5 C=CCCCCNCCCCC=C 2230a_100000703577_100011215482 [0,2,0,0,0,0|1,0,1]=4 13077 B12R0.5 C=CCCCCNCCCCC=C 34a_100000703577_100011215482 [0,2,0,0,0,0|1,0,1]=4 13078 B12R0.5 C=CCCCCNCCCCC=O 2230a_100000703577_100000139335 [0,2,0,0,0,0|0,0,1]=3 13079 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [0,2,0,0,0,0|1,0,0]=3 13080 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [0,2,0,0,0,0|1,0,0]=3 13081 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [0,2,0,0,0,0|1,0,0]=3 13082 B12R0.5 C=CCCCCNCCCCCF 2230a_100000703577_100000729378 [0,2,0,0,0,0|1,0,0]=3 13083 B12R0.5 C=CCCCCNCCCCCF 34a_100000703577_100000729378 [0,2,0,0,0,0|1,0,0]=3 13084 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [0,2,0,0,0,0|1,0,0]=3 13085 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [0,2,0,0,0,0|1,0,0]=3 13086 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [0,2,0,0,0,0|1,0,0]=3 13087 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [0,2,0,0,0,0|1,0,0]=3 13088 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [0,2,0,0,0,0|1,0,0]=3 13089 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [0,2,0,0,0,0|1,0,0]=3 13090 B12R0.5 C=CCCCCNCCCOCC 2230a_100000210961_100011215482 [0,2,0,0,0,0|1,0,0]=3 13091 B12R0.5 C=CCCCCNCCCOCC 2230a_100000703577_100012232248 [0,2,0,0,0,0|1,0,0]=3 13092 B12R0.5 C=CCCCCNCCCOCC 34a_100000210961_100011215482 [0,2,0,0,0,0|1,0,0]=3 13093 B12R0.5 C=CCCCCNCCCOCC 34a_100000703577_100012232248 [0,2,0,0,0,0|1,0,0]=3 13094 B12R0.5 C=CCCCCNCCOCCC 2230a_100000703577_100011215938 [0,2,0,0,0,0|1,0,0]=3 13095 B12R0.5 C=CCCCCNCCOCCC 2230a_100161115042_100011215482 [0,2,0,0,0,0|1,0,0]=3 13096 B12R0.5 C=CCCCCNCCOCCC 34a_100000703577_100011215938 [0,2,0,0,0,0|1,0,0]=3 13097 B12R0.5 C=CCCCCNCCOCCC 34a_100161115042_100011215482 [0,2,0,0,0,0|1,0,0]=3 13098 B12R0.5 C=CCCCCNCCOCCO 2230a_100000211614_100011215482 [0,2,0,0,0,0|2,0,0]=4 13099 B12R0.5 C=CCCCCNCCOCCO 2230a_100000703577_100011215305 [0,2,0,0,0,0|2,0,0]=4 13100 B12R0.5 C=CCCCCNCCOCCO 34a_100000211614_100011215482 [0,2,0,0,0,0|2,0,0]=4 13101 B12R0.5 C=CCCCCNCCOCCO 34a_100000703577_100000692535 [0,2,0,0,0,0|2,0,0]=4 13102 B12R0.5 C=CCCCCNCCSCCC 2230a_100020603323_100011215482 [0,2,0,0,0,0|1,0,0]=3 13103 B12R0.5 C=CCCCCNCCSCCO 2230a_100011219999_100011215482 [0,2,0,0,0,0|2,0,0]=4 13104 B12R0.5 C=CCCCCNCOCCCC 2230a_100000703577_100011995733 [0,2,0,0,0,0|1,0,0]=3 13105 B12R0.5 C=CCCCCNCOCCCC 34a_100000703577_100011995733 [0,2,0,0,0,0|1,0,0]=3 13106 B12R0.5 C=CCCCCNCOCCOC 2230a_100000703577_100000231047 [0,2,0,0,0,0|2,0,0]=4 13107 B12R0.5 C=CCCCCOC/C=C/CCC 34a_100016278788_100011215482 [0,2,0,0,0,0|1,0,1]=4 13108 B12R0.5 C=CCCCCOC/C=C/CCC 7a_100016278788_100011215482 [0,2,0,0,0,0|1,0,1]=4 13109 B12R0.5 C=CCCCCOCC#CCCC 34a_100000034806_100011215482 [0,2,0,0,0,0|1,0,1]=4 13110 B12R0.5 C=CCCCCOCC#CCCC 7a_100000034806_100011215482 [0,2,0,0,0,0|1,0,1]=4 13111 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100000766645_100015370543 [0,2,0,0,0,0|1,0,1]=4 13112 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100016288707_100011215482 [0,2,0,0,0,0|1,0,1]=4 13113 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100000766645_100015370543 [0,2,0,0,0,0|1,0,1]=4 13114 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100016288707_100011215482 [0,2,0,0,0,0|1,0,1]=4 13115 B12R0.5 C=CCCCCOCCC#CCC 34a_100000036655_100011215482 [0,2,0,0,0,0|1,0,1]=4 13116 B12R0.5 C=CCCCCOCCC#CCC 7a_100000036655_100011215482 [0,2,0,0,0,0|1,0,1]=4 13117 B12R0.5 C=CCCCCOCCCC=CC 34a_100020645299_100011215482 [0,2,0,0,0,0|1,0,1]=4 13118 B12R0.5 C=CCCCCOCCCCC#N 7a_100000766645_100000211819 [0,2,0,0,0,0|1,0,1]=4 13119 B12R0.5 C=CCCCCOCCCCC=C 34a_100000766645_100011215482 [0,2,0,0,0,0|1,0,1]=4 13120 B12R0.5 C=CCCCCOCCCCC=C 7a_100000766645_100011215482 [0,2,0,0,0,0|1,0,1]=4 13121 B12R0.5 C=CCCCCOCCCCC=O 7a_100000766645_100000139335 [0,2,0,0,0,0|0,0,1]=3 13122 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [0,2,0,0,0,0|1,0,0]=3 13123 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [0,2,0,0,0,0|1,0,0]=3 13124 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [0,2,0,0,0,0|1,0,0]=3 13125 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [0,2,0,0,0,0|1,0,0]=3 13126 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [0,2,0,0,0,0|1,0,0]=3 13127 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [0,2,0,0,0,0|1,0,0]=3 13128 B12R0.5 C=CCCCCOCCCCCCl 34a_100000746330_100011215482 [0,2,0,0,0,0|1,0,0]=3 13129 B12R0.5 C=CCCCCOCCCCCCl 7a_100000746330_100011215482 [0,2,0,0,0,0|1,0,0]=3 13130 B12R0.5 C=CCCCCOCCCCCF 34a_100000766645_100000729378 [0,2,0,0,0,0|1,0,0]=3 13131 B12R0.5 C=CCCCCOCCCCCF 7a_100000766645_100000729378 [0,2,0,0,0,0|1,0,0]=3 13132 B12R0.5 C=CCCCCOCCCCCI 34a_200012148887_100011215482 [0,2,0,0,0,0|1,0,0]=3 13133 B12R0.5 C=CCCCCOCCCCCI 7a_200012148887_100011215482 [0,2,0,0,0,0|1,0,0]=3 13134 B12R0.5 C=CCCCCOCCCCCN 34a_100000762737_100011215482 [0,2,0,0,0,0|1,0,0]=3 13135 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [0,2,0,0,0,0|1,0,0]=3 13136 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [0,2,0,0,0,0|1,0,0]=3 13137 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [0,2,0,0,0,0|1,0,0]=3 13138 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [0,2,0,0,0,0|1,0,0]=3 13139 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [0,2,0,0,0,0|1,0,0]=3 13140 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [0,2,0,0,0,0|1,0,0]=3 13141 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [0,2,0,0,0,0|1,0,0]=3 13142 B12R0.5 C=CCCCCOCCCOCC 34a_100000757476_100011215482 [0,2,0,0,0,0|1,0,0]=3 13143 B12R0.5 C=CCCCCOCCCOCC 34a_100000766645_100012232248 [0,2,0,0,0,0|1,0,0]=3 13144 B12R0.5 C=CCCCCOCCCOCC 7a_100000757476_100011215482 [0,2,0,0,0,0|1,0,0]=3 13145 B12R0.5 C=CCCCCOCCCOCC 7a_100000766645_100012232248 [0,2,0,0,0,0|1,0,0]=3 13146 B12R0.5 C=CCCCCOCCCSCC 34a_100011216438_100011215482 [0,2,0,0,0,0|1,0,0]=3 13147 B12R0.5 C=CCCCCOCCCSCC 7a_100011216438_100011215482 [0,2,0,0,0,0|1,0,0]=3 13148 B12R0.5 C=CCCCCOCCOCCBr 34a_100000692535_100011215482 [0,2,0,0,0,0|2,0,0]=4 13149 B12R0.5 C=CCCCCOCCOCCBr 7a_100000692535_100011215482 [0,2,0,0,0,0|2,0,0]=4 13150 B12R0.5 C=CCCCCOCCOCCC 34a_100000752267_100011215482 [0,2,0,0,0,0|1,0,0]=3 13151 B12R0.5 C=CCCCCOCCOCCC 34a_100000766645_100011215938 [0,2,0,0,0,0|1,0,0]=3 13152 B12R0.5 C=CCCCCOCCOCCC 7a_100000752267_100011215482 [0,2,0,0,0,0|1,0,0]=3 13153 B12R0.5 C=CCCCCOCCOCCC 7a_100000766645_100011215938 [0,2,0,0,0,0|1,0,0]=3 13154 B12R0.5 C=CCCCCOCCOCCCl 34a_100011215305_100011215482 [0,2,0,0,0,0|2,0,0]=4 13155 B12R0.5 C=CCCCCOCCOCCCl 7a_100011215305_100011215482 [0,2,0,0,0,0|2,0,0]=4 13156 B12R0.5 C=CCCCCOCCOCCF 34a_200015357709_100011215482 [0,2,0,0,0,0|2,0,0]=4 13157 B12R0.5 C=CCCCCOCCOCCF 7a_200015357709_100011215482 [0,2,0,0,0,0|2,0,0]=4 13158 B12R0.5 C=CCCCCOCCOCCI 34a_100012149058_100011215482 [0,2,0,0,0,0|2,0,0]=4 13159 B12R0.5 C=CCCCCOCCOCCI 7a_100012149058_100011215482 [0,2,0,0,0,0|2,0,0]=4 13160 B12R0.5 C=CCCCCOCCOCCN 34a_100000211614_100011215482 [0,2,0,0,0,0|2,0,0]=4 13161 B12R0.5 C=CCCCCOCCOCCO 34a_100000766645_100000692535 [0,2,0,0,0,0|2,0,0]=4 13162 B12R0.5 C=CCCCCOCCOCCO 7a_100000766645_100011215305 [0,2,0,0,0,0|2,0,0]=4 13163 B12R0.5 C=CCCCCOCCSCCC 34a_200000230433_100011215482 [0,2,0,0,0,0|1,0,0]=3 13164 B12R0.5 C=CCCCCOCCSCCC 7a_200000230433_100011215482 [0,2,0,0,0,0|1,0,0]=3 13165 B12R0.5 C=CCCCCOCOCCCC 34a_100000766645_100011995733 [0,2,0,0,0,0|1,0,0]=3 13166 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100011215482_100015370543 [0,2,0,0,0,0|1,0,1]=4 13167 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100015370543_100011215482 [0,2,0,0,0,0|1,0,1]=4 13168 B12R0.5 C=CCCCCSCCCCC#N 62a_100011215482_100000211819 [0,2,0,0,0,0|1,0,1]=4 13169 B12R0.5 C=CCCCCSCCCCC#N 62a_100011219923_100011215482 [0,2,0,0,0,0|1,0,1]=4 13170 B12R0.5 C=CCCCCSCCCCC=C 62a_100011215482_100011215482 [0,2,0,0,0,0|1,0,1]=4 13171 B12R0.5 C=CCCCCSCCCCC=O 62a_100000139335_100011215482 [0,2,0,0,0,0|0,0,1]=3 13172 B12R0.5 C=CCCCCSCCCCC=O 62a_100011215482_100000139335 [0,2,0,0,0,0|0,0,1]=3 13173 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [0,2,0,0,0,0|1,0,0]=3 13174 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [0,2,0,0,0,0|1,0,0]=3 13175 B12R0.5 C=CCCCCSCCCCCF 62a_100000729378_100011215482 [0,2,0,0,0,0|1,0,0]=3 13176 B12R0.5 C=CCCCCSCCCCCF 62a_100011215482_100000729378 [0,2,0,0,0,0|1,0,0]=3 13177 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [0,2,0,0,0,0|1,0,0]=3 13178 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [0,2,0,0,0,0|1,0,0]=3 13179 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [0,2,0,0,0,0|1,0,0]=3 13180 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [0,2,0,0,0,0|1,0,0]=3 13181 B12R0.5 C=CCCCCSCCCOCC 62a_100011215482_100012232248 [0,2,0,0,0,0|1,0,0]=3 13182 B12R0.5 C=CCCCCSCCCOCC 62a_100012232248_100011215482 [0,2,0,0,0,0|1,0,0]=3 13183 B12R0.5 C=CCCCCSCCOCCC 62a_100011215482_100011215938 [0,2,0,0,0,0|1,0,0]=3 13184 B12R0.5 C=CCCCCSCCOCCC 62a_100011215938_100011215482 [0,2,0,0,0,0|1,0,0]=3 13185 B12R0.5 C=CCCCCSCCOCCO 62a_100011215305_100011215482 [0,2,0,0,0,0|2,0,0]=4 13186 B12R0.5 C=CCCCCSCCOCCO 62a_100011215482_100011215305 [0,2,0,0,0,0|2,0,0]=4 13187 B12R0.5 C=CCCCCSCOCCCC 62a_100011215482_100011995733 [0,2,0,0,0,0|1,0,0]=3 13188 B12R0.5 C=CCCCCSCOCCCC 62a_100011995733_100011215482 [0,2,0,0,0,0|1,0,0]=3 13189 B12R0.5 C=CCCCCSCOCCOC 62a_100000231047_100011215482 [0,2,0,0,0,0|2,0,0]=4 13190 B12R0.5 C=CCCCCSCOCCOC 62a_100011215482_100000231047 [0,2,0,0,0,0|2,0,0]=4 13191 B12R0.5 C=CCCCNCCCCCC#N 2230a_100000700776_100009813376 [0,2,0,0,0,0|1,0,1]=4 13192 B12R0.5 C=CCCCNCCCCCC=O 2230a_100000700776_100000139337 [0,2,0,0,0,0|0,0,1]=3 13193 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [0,2,0,0,0,0|1,0,0]=3 13194 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [0,2,0,0,0,0|1,0,0]=3 13195 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [0,2,0,0,0,0|1,0,0]=3 13196 B12R0.5 C=CCCCNCCCCCCF 2230a_100000700776_100015922095 [0,2,0,0,0,0|1,0,0]=3 13197 B12R0.5 C=CCCCNCCCCCCF 34a_100000700776_100015922095 [0,2,0,0,0,0|1,0,0]=3 13198 B12R0.5 C=CCCCNCCCCCCO 2230a_100000686447_100011713584 [0,2,0,0,0,0|1,0,0]=3 13199 B12R0.5 C=CCCCNCCCCCCO 2230a_100000700776_100000766143 [0,2,0,0,0,0|1,0,0]=3 13200 B12R0.5 C=CCCCNCCCCCCO 34a_100000686447_100000757094 [0,2,0,0,0,0|1,0,0]=3 13201 B12R0.5 C=CCCCNCCCCCCO 34a_100000700776_100000766143 [0,2,0,0,0,0|1,0,0]=3 13202 B12R0.5 C=CCCCNCCCCCOC 2230a_100000747528_100011713584 [0,2,0,0,0,0|1,0,0]=3 13203 B12R0.5 C=CCCCNCCCCCOC 34a_100000747528_100000757094 [0,2,0,0,0,0|1,0,0]=3 13204 B12R0.5 C=CCCCNCCCOCCC 2230a_100011217757_100011713584 [0,2,0,0,0,0|1,0,0]=3 13205 B12R0.5 C=CCCCNCCCOCCC 34a_100011217757_100000757094 [0,2,0,0,0,0|1,0,0]=3 13206 B12R0.5 C=CCCCNCCOCCCC 2230a_100000700776_100000743108 [0,2,0,0,0,0|1,0,0]=3 13207 B12R0.5 C=CCCCNCCOCCCC 34a_100000700776_100000743108 [0,2,0,0,0,0|1,0,0]=3 13208 B12R0.5 C=CCCCNCCOCCOC 2230a_100000700776_100000695917 [0,2,0,0,0,0|2,0,0]=4 13209 B12R0.5 C=CCCCNCCOCCOC 2230a_100000745349_100011713584 [0,2,0,0,0,0|2,0,0]=4 13210 B12R0.5 C=CCCCNCCOCCOC 34a_100000700776_100000695917 [0,2,0,0,0,0|2,0,0]=4 13211 B12R0.5 C=CCCCNCCOCCOC 34a_100000745349_100000757094 [0,2,0,0,0,0|2,0,0]=4 13212 B12R0.5 C=CCCCNCCSCCCC 2230a_100025743550_100011713584 [0,2,0,0,0,0|1,0,0]=3 13213 B12R0.5 C=CCCCOC/C=C/CCCC 34a_200016272032_100000757094 [0,2,0,0,0,0|1,0,1]=4 13214 B12R0.5 C=CCCCOC/C=C/CCCC 7a_200016272032_100000757094 [0,2,0,0,0,0|1,0,1]=4 13215 B12R0.5 C=CCCCOCC#CCCCC 34a_200000034558_100000757094 [0,2,0,0,0,0|1,0,1]=4 13216 B12R0.5 C=CCCCOCC#CCCCC 7a_200000034558_100000757094 [0,2,0,0,0,0|1,0,1]=4 13217 B12R0.5 C=CCCCOCCC#CCCC 34a_100000042726_100000757094 [0,2,0,0,0,0|1,0,1]=4 13218 B12R0.5 C=CCCCOCCC#CCCC 7a_100000042726_100000757094 [0,2,0,0,0,0|1,0,1]=4 13219 B12R0.5 C=CCCCOCCC/C=C/CC 34a_100016287902_100000757094 [0,2,0,0,0,0|1,0,1]=4 13220 B12R0.5 C=CCCCOCCC/C=C/CC 7a_100016287902_100000757094 [0,2,0,0,0,0|1,0,1]=4 13221 B12R0.5 C=CCCCOCCCCCC#N 7a_100000758997_100009813376 [0,2,0,0,0,0|1,0,1]=4 13222 B12R0.5 C=CCCCOCCCCCC=O 7a_100000758997_100000139337 [0,2,0,0,0,0|0,0,1]=3 13223 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [0,2,0,0,0,0|1,0,0]=3 13224 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [0,2,0,0,0,0|1,0,0]=3 13225 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [0,2,0,0,0,0|1,0,0]=3 13226 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [0,2,0,0,0,0|1,0,0]=3 13227 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [0,2,0,0,0,0|1,0,0]=3 13228 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [0,2,0,0,0,0|1,0,0]=3 13229 B12R0.5 C=CCCCOCCCCCCCl 34a_100000766143_100000757094 [0,2,0,0,0,0|1,0,0]=3 13230 B12R0.5 C=CCCCOCCCCCCCl 7a_100000766143_100000757094 [0,2,0,0,0,0|1,0,0]=3 13231 B12R0.5 C=CCCCOCCCCCCF 34a_100000732779_100000757094 [0,2,0,0,0,0|1,0,0]=3 13232 B12R0.5 C=CCCCOCCCCCCF 34a_100000758997_100015922095 [0,2,0,0,0,0|1,0,0]=3 13233 B12R0.5 C=CCCCOCCCCCCF 7a_100000732779_100000757094 [0,2,0,0,0,0|1,0,0]=3 13234 B12R0.5 C=CCCCOCCCCCCF 7a_100000758997_100015922095 [0,2,0,0,0,0|1,0,0]=3 13235 B12R0.5 C=CCCCOCCCCCCN 34a_100000686447_100000757094 [0,2,0,0,0,0|1,0,0]=3 13236 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [0,2,0,0,0,0|1,0,0]=3 13237 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [0,2,0,0,0,0|1,0,0]=3 13238 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [0,2,0,0,0,0|1,0,0]=3 13239 B12R0.5 C=CCCCOCCOCCCC 34a_100000210238_100000757094 [0,2,0,0,0,0|1,0,0]=3 13240 B12R0.5 C=CCCCOCCOCCCC 34a_100000758997_100000743108 [0,2,0,0,0,0|1,0,0]=3 13241 B12R0.5 C=CCCCOCCOCCCC 7a_100000210238_100000757094 [0,2,0,0,0,0|1,0,0]=3 13242 B12R0.5 C=CCCCOCCOCCCC 7a_100000758997_100000743108 [0,2,0,0,0,0|1,0,0]=3 13243 B12R0.5 C=CCCCOCCOCCNC 34a_100000228057_100000757094 [0,2,0,0,0,0|2,0,0]=4 13244 B12R0.5 C=CCCCOCCOCCOC 34a_100000758997_100000695917 [0,2,0,0,0,0|2,0,0]=4 13245 B12R0.5 C=CCCCOCCOCCOC 34a_100011215163_100000757094 [0,2,0,0,0,0|2,0,0]=4 13246 B12R0.5 C=CCCCOCCOCCOC 7a_100000758997_100000695917 [0,2,0,0,0,0|2,0,0]=4 13247 B12R0.5 C=CCCCOCCOCCOC 7a_100011215163_100000757094 [0,2,0,0,0,0|2,0,0]=4 13248 B12R0.5 C=CCCCOCCSCCCC 34a_200000230436_100000757094 [0,2,0,0,0,0|1,0,0]=3 13249 B12R0.5 C=CCCCOCCSCCCC 7a_200000230436_100000757094 [0,2,0,0,0,0|1,0,0]=3 13250 B12R0.5 C=CCCCSCCCCCC#N 62a_100009813376_100000757094 [0,2,0,0,0,0|1,0,1]=4 13251 B12R0.5 C=CCCCSCCCCCC#N 62a_100011713584_100009813376 [0,2,0,0,0,0|1,0,1]=4 13252 B12R0.5 C=CCCCSCCCCCC=O 62a_100000139337_100000757094 [0,2,0,0,0,0|0,0,1]=3 13253 B12R0.5 C=CCCCSCCCCCC=O 62a_100011713584_100000139337 [0,2,0,0,0,0|0,0,1]=3 13254 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [0,2,0,0,0,0|1,0,0]=3 13255 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [0,2,0,0,0,0|1,0,0]=3 13256 B12R0.5 C=CCCCSCCCCCCF 62a_100011713584_100015922095 [0,2,0,0,0,0|1,0,0]=3 13257 B12R0.5 C=CCCCSCCCCCCF 62a_100015922095_100000757094 [0,2,0,0,0,0|1,0,0]=3 13258 B12R0.5 C=CCCCSCCCCCCO 62a_100000766143_100000757094 [0,2,0,0,0,0|1,0,0]=3 13259 B12R0.5 C=CCCCSCCCCCCO 62a_100011713584_100000766143 [0,2,0,0,0,0|1,0,0]=3 13260 B12R0.5 C=CCCCSCCOCCCC 62a_100000743108_100000757094 [0,2,0,0,0,0|1,0,0]=3 13261 B12R0.5 C=CCCCSCCOCCCC 62a_100011713584_100000743108 [0,2,0,0,0,0|1,0,0]=3 13262 B12R0.5 C=CCCCSCCOCCOC 62a_100000695917_100000757094 [0,2,0,0,0,0|2,0,0]=4 13263 B12R0.5 C=CCCCSCCOCCOC 62a_100011713584_100000695917 [0,2,0,0,0,0|2,0,0]=4 13264 B12R0.5 C=CCCNCC#CCCCCC 2230a_100015191253_100009816472 [0,2,0,0,0,0|1,0,1]=4 13265 B12R0.5 C=CCCNCCCCCCC#N 2230a_100015191253_100009813337 [0,2,0,0,0,0|1,0,1]=4 13266 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [0,2,0,0,0,0|1,0,0]=3 13267 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [0,2,0,0,0,0|1,0,0]=3 13268 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [0,2,0,0,0,0|1,0,0]=3 13269 B12R0.5 C=CCCNCCCCCCCO 2230a_100011996573_100000754431 [0,2,0,0,0,0|1,0,0]=3 13270 B12R0.5 C=CCCNCCCCCCCO 2230a_100015191253_100000760002 [0,2,0,0,0,0|1,0,0]=3 13271 B12R0.5 C=CCCNCCCCCCCO 34a_100011996573_100000754431 [0,2,0,0,0,0|1,0,0]=3 13272 B12R0.5 C=CCCNCCCCCCOC 2230a_100015191253_100011998445 [0,2,0,0,0,0|1,0,0]=3 13273 B12R0.5 C=CCCNCCCOCCCC 2230a_200000211371_100000754431 [0,2,0,0,0,0|1,0,0]=3 13274 B12R0.5 C=CCCNCCCOCCCC 34a_200000211371_100000754431 [0,2,0,0,0,0|1,0,0]=3 13275 B12R0.5 C=CCCNCCCOCCCO 2230a_100011310245_100000754431 [0,2,0,0,0,0|2,0,0]=4 13276 B12R0.5 C=CCCNCCCOCCCO 34a_100011310245_100000754431 [0,2,0,0,0,0|2,0,0]=4 13277 B12R0.5 C=CCCNCCCOCCOC 2230a_100000206027_100000754431 [0,2,0,0,0,0|2,0,0]=4 13278 B12R0.5 C=CCCNCCCOCCOC 2230a_100015191253_100011216529 [0,2,0,0,0,0|2,0,0]=4 13279 B12R0.5 C=CCCNCCCOCCOC 34a_100000206027_100000754431 [0,2,0,0,0,0|2,0,0]=4 13280 B12R0.5 C=CCCNCCOCCOCC 2230a_100015191253_100011211534 [0,2,0,0,0,0|2,0,0]=4 13281 B12R0.5 C=CCCNCCOCCOCC 2230a_100102712874_100000754431 [0,2,0,0,0,0|2,0,0]=4 13282 B12R0.5 C=CCCNCCOCCOCC 34a_100102712874_100000754431 [0,2,0,0,0,0|2,0,0]=4 13283 B12R0.5 C=CCCOC/C=C/CCCCC 34a_100016258190_100000754431 [0,2,0,0,0,0|1,0,1]=4 13284 B12R0.5 C=CCCOC/C=C/CCCCC 7a_100016258190_100000754431 [0,2,0,0,0,0|1,0,1]=4 13285 B12R0.5 C=CCCOCC#CCCCCC 34a_100011205117_100009816472 [0,2,0,0,0,0|1,0,1]=4 13286 B12R0.5 C=CCCOCC#CCCCCC 34a_200000033628_100000754431 [0,2,0,0,0,0|1,0,1]=4 13287 B12R0.5 C=CCCOCC#CCCCCC 7a_200000033628_100000754431 [0,2,0,0,0,0|1,0,1]=4 13288 B12R0.5 C=CCCOCC/C=C\CCCC 34a_200016286491_100000754431 [0,2,0,0,0,0|1,0,1]=4 13289 B12R0.5 C=CCCOCC/C=C\CCCC 7a_200016286491_100000754431 [0,2,0,0,0,0|1,0,1]=4 13290 B12R0.5 C=CCCOCCC#CCCCC 34a_100000037610_100000754431 [0,2,0,0,0,0|1,0,1]=4 13291 B12R0.5 C=CCCOCCC#CCCCC 7a_100000037610_100000754431 [0,2,0,0,0,0|1,0,1]=4 13292 B12R0.5 C=CCCOCCCC/C=C\CC 34a_100016287862_100000754431 [0,2,0,0,0,0|1,0,1]=4 13293 B12R0.5 C=CCCOCCCC/C=C\CC 7a_100016287862_100000754431 [0,2,0,0,0,0|1,0,1]=4 13294 B12R0.5 C=CCCOCCCCCCCBr 34a_100000760002_100000754431 [0,2,0,0,0,0|1,0,0]=3 13295 B12R0.5 C=CCCOCCCCCCCBr 7a_100000760002_100000754431 [0,2,0,0,0,0|1,0,0]=3 13296 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [0,2,0,0,0,0|1,0,0]=3 13297 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [0,2,0,0,0,0|1,0,0]=3 13298 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [0,2,0,0,0,0|1,0,0]=3 13299 B12R0.5 C=CCCOCCCCCCCN 34a_100011996573_100000754431 [0,2,0,0,0,0|1,0,0]=3 13300 B12R0.5 C=CCCOCCCCCCCO 34a_100011205117_100000760002 [0,2,0,0,0,0|1,0,0]=3 13301 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [0,2,0,0,0,0|1,0,0]=3 13302 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [0,2,0,0,0,0|1,0,0]=3 13303 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [0,2,0,0,0,0|1,0,0]=3 13304 B12R0.5 C=CCCOCCCOCCCC 34a_200011215613_100000754431 [0,2,0,0,0,0|1,0,0]=3 13305 B12R0.5 C=CCCOCCCOCCCC 7a_200011215613_100000754431 [0,2,0,0,0,0|1,0,0]=3 13306 B12R0.5 C=CCCOCCCOCCCN 34a_100011310245_100000754431 [0,2,0,0,0,0|2,0,0]=4 13307 B12R0.5 C=CCCOCCCOCCOC 34a_100011205117_100011216529 [0,2,0,0,0,0|2,0,0]=4 13308 B12R0.5 C=CCCOCCNCCCCC 34a_100000224656_100000754431 [0,2,0,0,0,0|1,0,0]=3 13309 B12R0.5 C=CCCOCCOCCCCC 34a_100011215259_100000754431 [0,2,0,0,0,0|1,0,0]=3 13310 B12R0.5 C=CCCOCCOCCCCC 7a_100011215259_100000754431 [0,2,0,0,0,0|1,0,0]=3 13311 B12R0.5 C=CCCOCCOCCOCC 34a_100000210240_100000754431 [0,2,0,0,0,0|2,0,0]=4 13312 B12R0.5 C=CCCOCCOCCOCC 34a_100011205117_100011211534 [0,2,0,0,0,0|2,0,0]=4 13313 B12R0.5 C=CCCOCCOCCOCC 7a_100000210240_100000754431 [0,2,0,0,0,0|2,0,0]=4 13314 B12R0.5 C=CCCSCC#CCCCCC 62a_100000754431_100009816472 [0,2,0,0,0,0|1,0,1]=4 13315 B12R0.5 C=CCCSCC#CCCCCC 62a_100009816472_100000754431 [0,2,0,0,0,0|1,0,1]=4 13316 B12R0.5 C=CCCSCCCCCCC#N 62a_100000754431_100009813337 [0,2,0,0,0,0|1,0,1]=4 13317 B12R0.5 C=CCCSCCCCCCC#N 62a_100009813337_100000754431 [0,2,0,0,0,0|1,0,1]=4 13318 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [0,2,0,0,0,0|1,0,0]=3 13319 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [0,2,0,0,0,0|1,0,0]=3 13320 B12R0.5 C=CCCSCCCCCCCO 62a_100000754431_100000760002 [0,2,0,0,0,0|1,0,0]=3 13321 B12R0.5 C=CCCSCCCCCCCO 62a_100000760002_100000754431 [0,2,0,0,0,0|1,0,0]=3 13322 B12R0.5 C=CCCSCCCCCCOC 62a_100000754431_100011998445 [0,2,0,0,0,0|1,0,0]=3 13323 B12R0.5 C=CCCSCCCCCCOC 62a_100011998445_100000754431 [0,2,0,0,0,0|1,0,0]=3 13324 B12R0.5 C=CCCSCCCOCCOC 62a_100000754431_100011216529 [0,2,0,0,0,0|2,0,0]=4 13325 B12R0.5 C=CCCSCCCOCCOC 62a_100011216529_100000754431 [0,2,0,0,0,0|2,0,0]=4 13326 B12R0.5 C=CCCSCCOCCOCC 62a_100000754431_100011211534 [0,2,0,0,0,0|2,0,0]=4 13327 B12R0.5 C=CCCSCCOCCOCC 62a_100011211534_100000754431 [0,2,0,0,0,0|2,0,0]=4 13328 B12R0.5 C=CCNCCCC#CCCCC 2230a_100020586998_200000047210 [0,2,0,0,0,0|1,0,1]=4 13329 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [0,2,0,0,0,0|1,0,0]=3 13330 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [0,2,0,0,0,0|1,0,0]=3 13331 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [0,2,0,0,0,0|1,0,0]=3 13332 B12R0.5 C=CCNCCCCCCCCO 2230a_100020586998_100000033203 [0,2,0,0,0,0|1,0,0]=3 13333 B12R0.5 C=CCNCCCCCCCCO 2230a_102515433106_100000210623 [0,2,0,0,0,0|1,0,0]=3 13334 B12R0.5 C=CCNCCCCCCCCO 34a_102515433106_100015514636 [0,2,0,0,0,0|1,0,0]=3 13335 B12R0.5 C=CCNCCOCCOCCC 2230a_200011904461_100000210623 [0,2,0,0,0,0|2,0,0]=4 13336 B12R0.5 C=CCNCCOCCOCCC 34a_200011904461_100015514636 [0,2,0,0,0,0|2,0,0]=4 13337 B12R0.5 C=CCOC/C=C/CCCCCC 34a_200016276170_100015514636 [0,2,0,0,0,0|1,0,1]=4 13338 B12R0.5 C=CCOC/C=C/CCCCCC 7a_200016276170_100015514636 [0,2,0,0,0,0|1,0,1]=4 13339 B12R0.5 C=CCOCC#CCCCCCC 34a_200000037284_100015514636 [0,2,0,0,0,0|1,0,1]=4 13340 B12R0.5 C=CCOCC#CCCCCCC 7a_200000037284_100015514636 [0,2,0,0,0,0|1,0,1]=4 13341 B12R0.5 C=CCOCC/C=C\CCCCC 34a_100016277358_100015514636 [0,2,0,0,0,0|1,0,1]=4 13342 B12R0.5 C=CCOCC/C=C\CCCCC 7a_100016277358_100015514636 [0,2,0,0,0,0|1,0,1]=4 13343 B12R0.5 C=CCOCCC#CCCCCC 34a_200000042877_100015514636 [0,2,0,0,0,0|1,0,1]=4 13344 B12R0.5 C=CCOCCC#CCCCCC 7a_200000042877_100015514636 [0,2,0,0,0,0|1,0,1]=4 13345 B12R0.5 C=CCOCCCC#CCCCC 34a_200000210373_200000047210 [0,2,0,0,0,0|1,0,1]=4 13346 B12R0.5 C=CCOCCCCC/C=C\CC 34a_100016268722_100015514636 [0,2,0,0,0,0|1,0,1]=4 13347 B12R0.5 C=CCOCCCCC/C=C\CC 7a_100016268722_100015514636 [0,2,0,0,0,0|1,0,1]=4 13348 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [0,2,0,0,0,0|1,0,0]=3 13349 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [0,2,0,0,0,0|1,0,0]=3 13350 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [0,2,0,0,0,0|1,0,0]=3 13351 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [0,2,0,0,0,0|1,0,0]=3 13352 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [0,2,0,0,0,0|1,0,0]=3 13353 B12R0.5 C=CCOCCCCCCCCCl 34a_100000033203_100015514636 [0,2,0,0,0,0|1,0,0]=3 13354 B12R0.5 C=CCOCCCCCCCCCl 7a_100000033203_100015514636 [0,2,0,0,0,0|1,0,0]=3 13355 B12R0.5 C=CCOCCCCCCCCN 34a_102515433106_100015514636 [0,2,0,0,0,0|1,0,0]=3 13356 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [0,2,0,0,0,0|1,0,0]=3 13357 B12R0.5 C=CCOCCCCCNCCN 34a_103619048469_100015514636 [0,2,0,0,0,0|2,0,0]=4 13358 B12R0.5 C=CCOCCCCNCCCC 34a_200011216965_100015514636 [0,2,0,0,0,0|1,0,0]=3 13359 B12R0.5 C=CCOCCCCOCCCC 34a_200000760531_100015514636 [0,2,0,0,0,0|1,0,0]=3 13360 B12R0.5 C=CCOCCCCOCCCC 7a_200000760531_100015514636 [0,2,0,0,0,0|1,0,0]=3 13361 B12R0.5 C=CCOCCCOCCCOC 34a_200011215475_100015514636 [0,2,0,0,0,0|2,0,0]=4 13362 B12R0.5 C=CCOCCCOCCCOC 7a_200011215475_100015514636 [0,2,0,0,0,0|2,0,0]=4 13363 B12R0.5 C=CCOCCOCCCCC=O 7a_100000037705_100000139335 [0,2,0,0,0,0|0,0,2]=4 13364 B12R0.5 C=CCOCCOCCCCCC 34a_100000037705_100000210314 [0,2,0,0,0,0|1,0,0]=3 13365 B12R0.5 C=CCOCCOCCCCCC 34a_100000691444_100015514636 [0,2,0,0,0,0|1,0,0]=3 13366 B12R0.5 C=CCOCCOCCCCCC 7a_100000037705_100000210314 [0,2,0,0,0,0|1,0,0]=3 13367 B12R0.5 C=CCOCCOCCCCCC 7a_100000691444_100015514636 [0,2,0,0,0,0|1,0,0]=3 13368 B12R0.5 C=CCOCCOCCCCCF 34a_100000037705_100000729378 [0,2,0,0,0,0|2,0,0]=4 13369 B12R0.5 C=CCOCCOCCCCCF 7a_100000037705_100000729378 [0,2,0,0,0,0|2,0,0]=4 13370 B12R0.5 C=CCOCCOCCCCCO 34a_100000037705_100000746330 [0,2,0,0,0,0|2,0,0]=4 13371 B12R0.5 C=CCOCCOCCCCCO 7a_100000037705_100000746330 [0,2,0,0,0,0|2,0,0]=4 13372 B12R0.5 C=CCOCCOCCCCOC 34a_100000037705_100000755781 [0,2,0,0,0,0|2,0,0]=4 13373 B12R0.5 C=CCOCCOCCCCOC 7a_100000037705_100000730899 [0,2,0,0,0,0|2,0,0]=4 13374 B12R0.5 C=CCOCCOCCCOCC 34a_100000037705_100012232248 [0,2,0,0,0,0|2,0,0]=4 13375 B12R0.5 C=CCOCCOCCCOCC 7a_100000037705_100012232248 [0,2,0,0,0,0|2,0,0]=4 13376 B12R0.5 C=CCOCCOCCOCCC 34a_100000037705_100011215938 [0,2,0,0,0,0|2,0,0]=4 13377 B12R0.5 C=CCOCCOCCOCCC 34a_100000065479_100000210303 [0,2,0,0,0,0|2,0,0]=4 13378 B12R0.5 C=CCOCCOCCOCCC 7a_100000037705_100011215938 [0,2,0,0,0,0|2,0,0]=4 13379 B12R0.5 C=CCOCCOCCOCCC 7a_100000065479_100000210303 [0,2,0,0,0,0|2,0,0]=4 13380 B12R0.5 C=CCOCCOCOCCCC 34a_100000037705_100011995733 [0,2,0,0,0,0|2,0,0]=4 13381 B12R0.5 C=CCSCCCC#CCCCC 62a_100000210623_200000047210 [0,2,0,0,0,0|1,0,1]=4 13382 B12R0.5 C=CCSCCCC#CCCCC 62a_200000047210_100000210623 [0,2,0,0,0,0|1,0,1]=4 13383 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [0,2,0,0,0,0|1,0,0]=3 13384 B12R0.5 C=CCSCCCCCCCCO 62a_100000033203_100000210623 [0,2,0,0,0,0|1,0,0]=3 13385 B12R0.5 C=CCSCCCCCCCCO 62a_100000210623_100000033203 [0,2,0,0,0,0|1,0,0]=3 13386 B12R0.5 C=COCCCCOCCCC=O 7a_100000031558_200011292268 [0,2,0,0,0,0|0,0,2]=4 13387 B12R0.5 C=COCCCCOCCCCC 34a_100000031558_100000718602 [0,2,0,0,0,0|1,0,0]=3 13388 B12R0.5 C=COCCCCOCCCCC 7a_100000031558_100000210326 [0,2,0,0,0,0|1,0,0]=3 13389 B12R0.5 C=COCCCCOCCCCF 34a_100000031558_100000729493 [0,2,0,0,0,0|2,0,0]=4 13390 B12R0.5 C=COCCCCOCCCCF 7a_100000031558_100000729493 [0,2,0,0,0,0|2,0,0]=4 13391 B12R0.5 C=COCCCCOCCCCO 34a_100000031558_100011216708 [0,2,0,0,0,0|2,0,0]=4 13392 B12R0.5 C=COCCCCOCCCCO 7a_100000031558_100000210776 [0,2,0,0,0,0|2,0,0]=4 13393 B12R0.5 C=COCCCCOCCCOC 34a_100000031558_100000740836 [0,2,0,0,0,0|2,0,0]=4 13394 B12R0.5 C=COCCCCOCCCOC 7a_100000031558_100000740836 [0,2,0,0,0,0|2,0,0]=4 13395 B12R0.5 C=COCCCCOCCOCC 34a_100000031558_100000210147 [0,2,0,0,0,0|2,0,0]=4 13396 B12R0.5 C=COCCCCOCCOCC 7a_100000031558_100011215890 [0,2,0,0,0,0|2,0,0]=4 13397 B12R0.5 C=COCCCCOCCSCC 34a_100000031558_100000757381 [0,2,0,0,0,0|2,0,0]=4 13398 B12R0.5 C=COCCCCOCCSCC 7a_100000031558_100000757381 [0,2,0,0,0,0|2,0,0]=4 13399 B12R0.5 C=COCCCNCCCCC=O 2230a_100000210767_100000139335 [0,2,0,0,0,0|0,0,2]=4 13400 B12R0.5 C=COCCCNCCCCCC 2230a_100000210767_100000210314 [0,2,0,0,0,0|1,0,0]=3 13401 B12R0.5 C=COCCCNCCCCCC 34a_100000210767_100000210314 [0,2,0,0,0,0|1,0,0]=3 13402 B12R0.5 C=COCCCNCCCCCF 2230a_100000210767_100000729378 [0,2,0,0,0,0|2,0,0]=4 13403 B12R0.5 C=COCCCNCCCCCF 34a_100000210767_100000729378 [0,2,0,0,0,0|2,0,0]=4 13404 B12R0.5 C=COCCCNCCCCCO 2230a_100000210767_100000746330 [0,2,0,0,0,0|2,0,0]=4 13405 B12R0.5 C=COCCCNCCCCCO 34a_100000210767_100000746330 [0,2,0,0,0,0|2,0,0]=4 13406 B12R0.5 C=COCCCNCCCCOC 2230a_100000210767_100000730899 [0,2,0,0,0,0|2,0,0]=4 13407 B12R0.5 C=COCCCNCCCCOC 34a_100000210767_100000755781 [0,2,0,0,0,0|2,0,0]=4 13408 B12R0.5 C=COCCCNCCCOCC 2230a_100000210767_100012232248 [0,2,0,0,0,0|2,0,0]=4 13409 B12R0.5 C=COCCCNCCCOCC 34a_100000210767_100012232248 [0,2,0,0,0,0|2,0,0]=4 13410 B12R0.5 C=COCCCNCCOCCC 2230a_100000210767_100011215938 [0,2,0,0,0,0|2,0,0]=4 13411 B12R0.5 C=COCCCNCCOCCC 34a_100000210767_100011215938 [0,2,0,0,0,0|2,0,0]=4 13412 B12R0.5 C=COCCCNCOCCCC 2230a_100000210767_100011995733 [0,2,0,0,0,0|2,0,0]=4 13413 B12R0.5 C=COCCCNCOCCCC 34a_100000210767_100011995733 [0,2,0,0,0,0|2,0,0]=4 13414 B12R0.5 C=COCCNCCCCCCC 2230a_100000229938_100000039644 [0,2,0,0,0,0|1,0,0]=3 13415 B12R0.5 C=COCCNCCCCCCO 2230a_100000686447_100000039644 [0,2,0,0,0,0|2,0,0]=4 13416 B12R0.5 C=COCCNCCCCCCO 34a_100000686447_100000039644 [0,2,0,0,0,0|2,0,0]=4 13417 B12R0.5 C=COCCNCCCCCOC 2230a_100000747528_100000039644 [0,2,0,0,0,0|2,0,0]=4 13418 B12R0.5 C=COCCNCCCCCOC 34a_100000747528_100000039644 [0,2,0,0,0,0|2,0,0]=4 13419 B12R0.5 C=COCCNCCCOCCC 2230a_100011217757_100000039644 [0,2,0,0,0,0|2,0,0]=4 13420 B12R0.5 C=COCCNCCCOCCC 34a_100011217757_100000039644 [0,2,0,0,0,0|2,0,0]=4 13421 B12R0.5 C=COCCNCCSCCCC 2230a_100025743550_100000039644 [0,2,0,0,0,0|2,0,0]=4 13422 B12R0.5 C=COCCOCCCCCCBr 34a_100011215345_100000039644 [0,2,0,0,0,0|2,0,0]=4 13423 B12R0.5 C=COCCOCCCCCCBr 7a_100011215345_100000039644 [0,2,0,0,0,0|2,0,0]=4 13424 B12R0.5 C=COCCOCCCCCCC 34a_100000033082_100000210614 [0,2,0,0,0,0|1,0,0]=3 13425 B12R0.5 C=COCCOCCCCCCC 34a_100000210272_100000039644 [0,2,0,0,0,0|1,0,0]=3 13426 B12R0.5 C=COCCOCCCCCCC 7a_100000210272_100000039644 [0,2,0,0,0,0|1,0,0]=3 13427 B12R0.5 C=COCCOCCCCCCCl 34a_100000766143_100000039644 [0,2,0,0,0,0|2,0,0]=4 13428 B12R0.5 C=COCCOCCCCCCCl 7a_100000766143_100000039644 [0,2,0,0,0,0|2,0,0]=4 13429 B12R0.5 C=COCCOCCCCCCF 34a_100000033082_100015922095 [0,2,0,0,0,0|2,0,0]=4 13430 B12R0.5 C=COCCOCCCCCCF 34a_100000732779_100000039644 [0,2,0,0,0,0|2,0,0]=4 13431 B12R0.5 C=COCCOCCCCCCF 7a_100000732779_100000039644 [0,2,0,0,0,0|2,0,0]=4 13432 B12R0.5 C=COCCOCCCCCCN 34a_100000686447_100000039644 [0,2,0,0,0,0|2,0,0]=4 13433 B12R0.5 C=COCCOCCCCCCO 34a_100000033082_100000766143 [0,2,0,0,0,0|2,0,0]=4 13434 B12R0.5 C=COCCOCCCCCNC 34a_100000722520_100000039644 [0,2,0,0,0,0|2,0,0]=4 13435 B12R0.5 C=COCCOCCOCCCC 34a_100000033082_100000743108 [0,2,0,0,0,0|2,0,0]=4 13436 B12R0.5 C=COCCOCCOCCCC 34a_100000039918_100000210210 [0,2,0,0,0,0|2,0,0]=4 13437 B12R0.5 C=COCCOCCOCCCC 34a_100000210238_100000039644 [0,2,0,0,0,0|2,0,0]=4 13438 B12R0.5 C=COCCOCCOCCCC 7a_100000039918_100000210211 [0,2,0,0,0,0|2,0,0]=4 13439 B12R0.5 C=COCCOCCOCCCC 7a_100000210238_100000039644 [0,2,0,0,0,0|2,0,0]=4 13440 B12R0.5 C=COCCOCCSCCCC 34a_200000230436_100000039644 [0,2,0,0,0,0|2,0,0]=4 13441 B12R0.5 C=COCCOCCSCCCC 7a_200000230436_100000039644 [0,2,0,0,0,0|2,0,0]=4 13442 B12R0.5 C=COCCSCCCCCC=O 62a_100000039644_100000139337 [0,2,0,0,0,0|0,0,2]=4 13443 B12R0.5 C=COCCSCCCCCC=O 62a_100000139337_100000039644 [0,2,0,0,0,0|0,0,2]=4 13444 B12R0.5 C=COCCSCCCCCCC 62a_100000039644_100000210316 [0,2,0,0,0,0|1,0,0]=3 13445 B12R0.5 C=COCCSCCCCCCC 62a_100000210614_100000039644 [0,2,0,0,0,0|1,0,0]=3 13446 B12R0.5 C=COCCSCCCCCCF 62a_100000039644_100015922095 [0,2,0,0,0,0|2,0,0]=4 13447 B12R0.5 C=COCCSCCCCCCF 62a_100015922095_100000039644 [0,2,0,0,0,0|2,0,0]=4 13448 B12R0.5 C=COCCSCCCCCCO 62a_100000039644_100000766143 [0,2,0,0,0,0|2,0,0]=4 13449 B12R0.5 C=COCCSCCCCCCO 62a_100000766143_100000039644 [0,2,0,0,0,0|2,0,0]=4 13450 B12R0.5 C=COCCSCCOCCCC 62a_100000039644_100000743108 [0,2,0,0,0,0|2,0,0]=4 13451 B12R0.5 C=COCCSCCOCCCC 62a_100000743108_100000039644 [0,2,0,0,0,0|2,0,0]=4 13452 B12R0.5 CC#CCCOCCCCCCC 34a_100000750427_100000210614 [0,2,0,0,0,0|1,0,1]=4 13453 B12R0.5 CC#CCNCCCCCCCC 2230a_100000229939_100000748600 [0,2,0,0,0,0|1,0,1]=4 13454 B12R0.5 CC#CCNCCCCCCCC 2230a_100000685387_100000210759 [0,2,0,0,0,0|1,0,1]=4 13455 B12R0.5 CC#CCNCCCCCCCC 34a_100000229939_100000748600 [0,2,0,0,0,0|1,0,1]=4 13456 B12R0.5 CC#CCNCCCCCCCC 34a_100000685387_100000210759 [0,2,0,0,0,0|1,0,1]=4 13457 B12R0.5 CC#CCOCCCCCCCC 34a_100000210232_100000748600 [0,2,0,0,0,0|1,0,1]=4 13458 B12R0.5 CC#CCOCCCCCCCC 34a_100000761923_100000210759 [0,2,0,0,0,0|1,0,1]=4 13459 B12R0.5 CC#CCOCCCCCCCC 7a_100000210232_100000748600 [0,2,0,0,0,0|1,0,1]=4 13460 B12R0.5 CC#CCSCCCCCCCC 62a_100000210759_100000748600 [0,2,0,0,0,0|1,0,1]=4 13461 B12R0.5 CC#CCSCCCCCCCC 62a_100000748600_100000210317 [0,2,0,0,0,0|1,0,1]=4 13462 B12R0.5 CC/C=C/CCCOCCCC=O 7a_100016287902_200011292268 [0,2,0,0,0,0|0,0,1]=3 13463 B12R0.5 CC/C=C/CCCOCCCCC 34a_100016287902_100000718602 [0,2,0,0,0,0|1,0,1]=4 13464 B12R0.5 CC/C=C/CCCOCCCCC 7a_100016287902_100000210326 [0,2,0,0,0,0|1,0,1]=4 13465 B12R0.5 CC/C=C\CCCCCCCNC 269862a_106832991636_200025770492 [0,2,0,0,0,0|1,0,1]=4 13466 B12R0.5 CC/C=C\CCCCCNCCC 269862a_100020643023_100016288537 [0,2,0,0,0,0|1,0,1]=4 13467 B12R0.5 CC/C=C\CCCCCOCC=O 34a_100016268722_200009817547 [0,2,0,0,0,0|0,0,1]=3 13468 B12R0.5 CC/C=C\CCCCCOCC=O 7a_100016268722_200015260668 [0,2,0,0,0,0|0,0,1]=3 13469 B12R0.5 CC/C=C\CCCCCOCCC 34a_100016268722_100000210303 [0,2,0,0,0,0|1,0,1]=4 13470 B12R0.5 CC/C=C\CCCCCOCCC 7a_100016268722_100000210303 [0,2,0,0,0,0|1,0,1]=4 13471 B12R0.5 CC/C=C\CCCCOCCCC 34a_100016287862_100000210210 [0,2,0,0,0,0|1,0,1]=4 13472 B12R0.5 CC/C=C\CCCCOCCCC 7a_100016287862_100000210211 [0,2,0,0,0,0|1,0,1]=4 13473 B12R0.5 CC/C=C\CCNCCCCCC 2230a_100000210581_100015370543 [0,2,0,0,0,0|1,0,1]=4 13474 B12R0.5 CC/C=C\CCOCCCCC=O 7a_100016288707_100000139335 [0,2,0,0,0,0|0,0,1]=3 13475 B12R0.5 CC/C=C\CCOCCCCCC 34a_100000210259_100015370543 [0,2,0,0,0,0|1,0,1]=4 13476 B12R0.5 CC/C=C\CCOCCCCCC 34a_100016288707_100000210314 [0,2,0,0,0,0|1,0,1]=4 13477 B12R0.5 CC/C=C\CCOCCCCCC 7a_100000210259_100015370543 [0,2,0,0,0,0|1,0,1]=4 13478 B12R0.5 CC/C=C\CCOCCCCCC 7a_100016288707_100000210314 [0,2,0,0,0,0|1,0,1]=4 13479 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100000139335_100015370543 [0,2,0,0,0,0|0,0,1]=3 13480 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100015370543_100000139335 [0,2,0,0,0,0|0,0,1]=3 13481 B12R0.5 CC/C=C\CCSCCCCCC 62a_100000210314_100015370543 [0,2,0,0,0,0|1,0,1]=4 13482 B12R0.5 CC/C=C\CCSCCCCCC 62a_100015370543_100000210757 [0,2,0,0,0,0|1,0,1]=4 13483 B12R0.5 CC/C=C\CNCCCCCCC 2230a_100000229938_100103147603 [0,2,0,0,0,0|1,0,1]=4 13484 B12R0.5 CC/C=C\COCCCCCCC 34a_100000210272_100103147603 [0,2,0,0,0,0|1,0,1]=4 13485 B12R0.5 CC/C=C\COCCCCCCC 34a_100016268518_100000210614 [0,2,0,0,0,0|1,0,1]=4 13486 B12R0.5 CC/C=C\COCCCCCCC 7a_100000210272_100103147603 [0,2,0,0,0,0|1,0,1]=4 13487 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100000139337_100103147603 [0,2,0,0,0,0|0,0,1]=3 13488 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100103147603_100000139337 [0,2,0,0,0,0|0,0,1]=3 13489 B12R0.5 CC/C=C\CSCCCCCCC 62a_100000210614_100103147603 [0,2,0,0,0,0|1,0,1]=4 13490 B12R0.5 CC/C=C\CSCCCCCCC 62a_100103147603_100000210316 [0,2,0,0,0,0|1,0,1]=4 13491 B12R0.5 CC=C=CCCOCCCCCC 34a_100011020354_100000210314 [0,2,0,0,0,0|1,0,1]=4 13492 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [0,2,0,0,0,0|1,0,0]=3 13493 B12R0.5 CC=CCCCOCCCCCF 34a_100020645299_100000729378 [0,2,0,0,0,0|1,0,1]=4 13494 B12R0.5 CC=CCCCOCCCCCO 34a_100020645299_100000746330 [0,2,0,0,0,0|1,0,1]=4 13495 B12R0.5 CC=CCCCOCCCCOC 34a_100020645299_100000755781 [0,2,0,0,0,0|1,0,1]=4 13496 B12R0.5 CC=CCCCOCCCOCC 34a_100020645299_100012232248 [0,2,0,0,0,0|1,0,1]=4 13497 B12R0.5 CC=CCCCOCCOCCC 34a_100020645299_100011215938 [0,2,0,0,0,0|1,0,1]=4 13498 B12R0.5 CC=CCCCOCOCCCC 34a_100020645299_100011995733 [0,2,0,0,0,0|1,0,1]=4 13499 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [0,2,0,0,0,0|1,0,0]=3 13500 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [0,2,0,0,0,0|1,0,0]=3 13501 B12R0.5 CC=CCNCCCCCCCO 2230a_100011996573_100000070051 [0,2,0,0,0,0|1,0,1]=4 13502 B12R0.5 CC=CCNCCCCCCCO 34a_100011996573_100000070051 [0,2,0,0,0,0|1,0,1]=4 13503 B12R0.5 CC=CCNCCCOCCCC 2230a_200000211371_100000070051 [0,2,0,0,0,0|1,0,1]=4 13504 B12R0.5 CC=CCNCCCOCCCC 34a_200000211371_100000070051 [0,2,0,0,0,0|1,0,1]=4 13505 B12R0.5 CC=CCOCCCCCCCBr 34a_100000760002_100000070051 [0,2,0,0,0,0|1,0,1]=4 13506 B12R0.5 CC=CCOCCCCCCCBr 7a_100000760002_100000070051 [0,2,0,0,0,0|1,0,1]=4 13507 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [0,2,0,0,0,0|1,0,0]=3 13508 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [0,2,0,0,0,0|1,0,0]=3 13509 B12R0.5 CC=CCOCCCCCCCN 34a_100011996573_100000070051 [0,2,0,0,0,0|1,0,1]=4 13510 B12R0.5 CC=CCOCCCCCCOC 34a_200012092642_100000070051 [0,2,0,0,0,0|1,0,1]=4 13511 B12R0.5 CC=CCOCCCCCCOC 7a_200012092642_100000070051 [0,2,0,0,0,0|1,0,1]=4 13512 B12R0.5 CC=CCOCCCOCCCC 34a_200011215613_100000070051 [0,2,0,0,0,0|1,0,1]=4 13513 B12R0.5 CC=CCOCCCOCCCC 7a_200011215613_100000070051 [0,2,0,0,0,0|1,0,1]=4 13514 B12R0.5 CC=CCOCCNCCCCC 34a_100000224656_100000070051 [0,2,0,0,0,0|1,0,1]=4 13515 B12R0.5 CC=CCOCCOCCCCC 34a_100011215259_100000070051 [0,2,0,0,0,0|1,0,1]=4 13516 B12R0.5 CC=CCOCCOCCCCC 7a_100011215259_100000070051 [0,2,0,0,0,0|1,0,1]=4 13517 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [0,2,0,0,0,0|1,0,0]=3 13518 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [0,2,0,0,0,0|1,0,0]=3 13519 B12R0.5 CC=CCSCCCCCCCO 62a_100000070051_100000760002 [0,2,0,0,0,0|1,0,1]=4 13520 B12R0.5 CC=CCSCCCCCCCO 62a_100000760002_100000070051 [0,2,0,0,0,0|1,0,1]=4 13521 B12R0.5 CC=CCSCCCCCCOC 62a_100000070051_100011998445 [0,2,0,0,0,0|1,0,1]=4 13522 B12R0.5 CC=CCSCCCCCCOC 62a_100011998445_100000070051 [0,2,0,0,0,0|1,0,1]=4 13523 B12R0.5 CCC#CCCOCCCCC=O 7a_100000036655_100000139335 [0,2,0,0,0,0|0,0,1]=3 13524 B12R0.5 CCC#CCSCCCCCC=O 62a_100000139337_100009813939 [0,2,0,0,0,0|0,0,1]=3 13525 B12R0.5 CCC#CCSCCCCCC=O 62a_100009813939_100000139337 [0,2,0,0,0,0|0,0,1]=3 13526 B12R0.5 CCC/C=C/COCCCCC=O 7a_100016278788_100000139335 [0,2,0,0,0,0|0,0,1]=3 13527 B12R0.5 CCCC#CCCOCCCC=O 7a_100000042726_200011292268 [0,2,0,0,0,0|0,0,1]=3 13528 B12R0.5 CCCC#CCOCCCCC=O 7a_100000034806_100000139335 [0,2,0,0,0,0|0,0,1]=3 13529 B12R0.5 CCCC/C=C/COCCCC=O 7a_200016272032_200011292268 [0,2,0,0,0,0|0,0,1]=3 13530 B12R0.5 CCCCC#CCCCSCC=O 62a_200000047210_200015260668 [0,2,0,0,0,0|0,0,1]=3 13531 B12R0.5 CCCCC#CCCCSCC=O 62a_200015260668_200000047210 [0,2,0,0,0,0|0,0,1]=3 13532 B12R0.5 CCCCC#CCOCCCC=O 7a_200000034558_200011292268 [0,2,0,0,0,0|0,0,1]=3 13533 B12R0.5 CCCCC/C=C\CCOCC=O 34a_100016277358_200009817547 [0,2,0,0,0,0|0,0,1]=3 13534 B12R0.5 CCCCC/C=C\CCOCC=O 7a_100016277358_200015260668 [0,2,0,0,0,0|0,0,1]=3 13535 B12R0.5 CCCCCC#CCCOCC=O 34a_200000042877_200009817547 [0,2,0,0,0,0|0,0,1]=3 13536 B12R0.5 CCCCCC#CCCOCC=O 7a_200000042877_200015260668 [0,2,0,0,0,0|0,0,1]=3 13537 B12R0.5 CCCCCC/C=C/COCC=O 34a_200016276170_200009817547 [0,2,0,0,0,0|0,0,1]=3 13538 B12R0.5 CCCCCC/C=C/COCC=O 7a_200016276170_200015260668 [0,2,0,0,0,0|0,0,1]=3 13539 B12R0.5 CCCCCCC#CCOCC=O 34a_200000037284_200009817547 [0,2,0,0,0,0|0,0,1]=3 13540 B12R0.5 CCCCCCC#CCOCC=O 7a_200000037284_200015260668 [0,2,0,0,0,0|0,0,1]=3 13541 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [0,2,0,0,0,0|0,0,2]=4 13542 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [0,2,0,0,0,0|0,0,2]=4 13543 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [0,2,0,0,0,0|0,0,2]=4 13544 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [0,2,0,0,0,0|0,0,2]=4 13545 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [0,2,0,0,0,0|1,0,1]=4 13546 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [0,2,0,0,0,0|1,0,1]=4 13547 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [0,2,0,0,0,0|1,0,1]=4 13548 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [0,2,0,0,0,0|1,0,1]=4 13549 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [0,2,0,0,0,0|1,0,1]=4 13550 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [0,2,0,0,0,0|1,0,1]=4 13551 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [0,2,0,0,0,0|1,0,1]=4 13552 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [0,2,0,0,0,0|0,0,2]=4 13553 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [0,2,0,0,0,0|0,0,2]=4 13554 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [0,2,0,0,0,0|0,0,2]=4 13555 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [0,2,0,0,0,0|0,0,2]=4 13556 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [0,2,0,0,0,0|0,0,2]=4 13557 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [0,2,0,0,0,0|0,1,1]=4 13558 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [0,2,0,0,0,0|0,1,1]=4 13559 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [0,2,0,0,0,0|1,0,1]=4 13560 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [0,2,0,0,0,0|1,0,1]=4 13561 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [0,2,0,0,0,0|1,0,1]=4 13562 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [0,2,0,0,0,0|1,0,1]=4 13563 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [0,2,0,0,0,0|0,0,2]=4 13564 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [0,2,0,0,0,0|0,0,2]=4 13565 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [0,2,0,0,0,0|0,0,2]=4 13566 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [0,2,0,0,0,0|0,0,2]=4 13567 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [0,2,0,0,0,0|0,0,2]=4 13568 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [0,2,0,0,0,0|0,1,1]=4 13569 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [0,2,0,0,0,0|0,1,1]=4 13570 B12R0.5 CCCCCCCCCNCC#N 2230a_100000212291_100011215382 [0,2,0,0,0,0|1,0,1]=4 13571 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [0,2,0,0,0,0|0,0,0]=2 13572 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [0,2,0,0,0,0|0,0,0]=2 13573 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [0,2,0,0,0,0|1,0,1]=4 13574 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [0,2,0,0,0,0|1,0,1]=4 13575 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [0,2,0,0,0,0|1,0,1]=4 13576 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [0,2,0,0,0,0|1,0,1]=4 13577 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [0,2,0,0,0,0|1,0,1]=4 13578 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [0,2,0,0,0,0|0,0,2]=4 13579 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [0,2,0,0,0,0|0,0,2]=4 13580 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [0,2,0,0,0,0|0,0,2]=4 13581 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [0,2,0,0,0,0|0,0,2]=4 13582 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [0,2,0,0,0,0|0,0,2]=4 13583 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [0,2,0,0,0,0|0,1,1]=4 13584 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [0,2,0,0,0,0|0,1,1]=4 13585 B12R0.5 CCCCCCCCCOCC#N 7a_100000210712_100011215382 [0,2,0,0,0,0|1,0,1]=4 13586 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [0,2,0,0,0,0|0,0,0]=2 13587 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [0,2,0,0,0,0|0,0,0]=2 13588 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [0,2,0,0,0,0|1,0,1]=4 13589 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [0,2,0,0,0,0|1,0,1]=4 13590 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [0,2,0,0,0,0|1,0,1]=4 13591 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [0,2,0,0,0,0|1,0,1]=4 13592 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [0,2,0,0,0,0|1,0,1]=4 13593 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [0,2,0,0,0,0|1,0,1]=4 13594 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [0,2,0,0,0,0|1,0,1]=4 13595 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [0,2,0,0,0,0|0,0,2]=4 13596 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [0,2,0,0,0,0|0,0,2]=4 13597 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [0,2,0,0,0,0|0,1,1]=4 13598 B12R0.5 CCCCCCCCCSCC#N 62a_100011215382_100000210670 [0,2,0,0,0,0|1,0,1]=4 13599 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [0,2,0,0,0,0|0,0,0]=2 13600 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [0,2,0,0,0,0|1,0,1]=4 13601 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [0,2,0,0,0,0|1,0,1]=4 13602 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [0,2,0,0,0,0|0,0,2]=4 13603 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [0,2,0,0,0,0|0,0,2]=4 13604 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [0,2,0,0,0,0|0,1,1]=4 13605 B12R0.5 CCCCCCCCNCCC#N 2230a_100000229939_100011215226 [0,2,0,0,0,0|1,0,1]=4 13606 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [0,2,0,0,0,0|1,0,1]=4 13607 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [0,2,0,0,0,0|1,0,1]=4 13608 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [0,2,0,0,0,0|1,0,1]=4 13609 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [0,2,0,0,0,0|1,0,1]=4 13610 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [0,2,0,0,0,0|1,0,1]=4 13611 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [0,2,0,0,0,0|1,0,1]=4 13612 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [0,2,0,0,0,0|1,0,1]=4 13613 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [0,2,0,0,0,0|1,0,1]=4 13614 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [0,2,0,0,0,0|0,0,2]=4 13615 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [0,2,0,0,0,0|0,0,2]=4 13616 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [0,2,0,0,0,0|0,0,2]=4 13617 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [0,2,0,0,0,0|0,0,2]=4 13618 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [0,2,0,0,0,0|0,0,2]=4 13619 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [0,2,0,0,0,0|0,1,1]=4 13620 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [0,2,0,0,0,0|0,1,1]=4 13621 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [0,2,0,0,0,0|0,1,1]=4 13622 B12R0.5 CCCCCCCCOCCC#N 7a_100000210232_100000184422 [0,2,0,0,0,0|1,0,1]=4 13623 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [0,2,0,0,0,0|1,0,1]=4 13624 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [0,2,0,0,0,0|1,0,1]=4 13625 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [0,2,0,0,0,0|1,0,1]=4 13626 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [0,2,0,0,0,0|1,0,1]=4 13627 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [0,2,0,0,0,0|1,0,1]=4 13628 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [0,2,0,0,0,0|1,0,1]=4 13629 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [0,2,0,0,0,0|1,0,1]=4 13630 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [0,2,0,0,0,0|1,0,1]=4 13631 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [0,2,0,0,0,0|1,0,1]=4 13632 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [0,2,0,0,0,0|1,0,1]=4 13633 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [0,2,0,0,0,0|0,0,2]=4 13634 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [0,2,0,0,0,0|0,0,2]=4 13635 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [0,2,0,0,0,0|0,0,2]=4 13636 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [0,2,0,0,0,0|0,0,2]=4 13637 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [0,2,0,0,0,0|0,0,2]=4 13638 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [0,2,0,0,0,0|0,0,2]=4 13639 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [0,2,0,0,0,0|0,1,1]=4 13640 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [0,2,0,0,0,0|0,1,1]=4 13641 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [0,2,0,0,0,0|0,1,1]=4 13642 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [0,2,0,0,0,0|0,1,1]=4 13643 B12R0.5 CCCCCCCCSCCC#N 62a_100000210759_100011215226 [0,2,0,0,0,0|1,0,1]=4 13644 B12R0.5 CCCCCCCCSCCC#N 62a_100011215226_100000210317 [0,2,0,0,0,0|1,0,1]=4 13645 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [0,2,0,0,0,0|1,0,1]=4 13646 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [0,2,0,0,0,0|1,0,1]=4 13647 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [0,2,0,0,0,0|1,0,1]=4 13648 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [0,2,0,0,0,0|1,0,1]=4 13649 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [0,2,0,0,0,0|0,0,2]=4 13650 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [0,2,0,0,0,0|0,0,2]=4 13651 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [0,2,0,0,0,0|0,0,2]=4 13652 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [0,2,0,0,0,0|0,0,2]=4 13653 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [0,2,0,0,0,0|0,1,1]=4 13654 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [0,2,0,0,0,0|0,1,1]=4 13655 B12R0.5 CCCCCCCCSCOCC 62a_100000210759_100000739092 [0,2,0,0,0,0|1,0,1]=4 13656 B12R0.5 CCCCCCCCSCOCC 62a_100000739092_100000210317 [0,2,0,0,0,0|1,0,1]=4 13657 B12R0.5 CCCCCCCCSCSC#N 62a_100000210759_100000211825 [0,2,0,0,0,0|1,0,1]=4 13658 B12R0.5 CCCCCCCCSCSC#N 62a_100000211825_100000210317 [0,2,0,0,0,0|1,0,1]=4 13659 B12R0.5 CCCCCCCNCCCC#N 2230a_100000229938_100000687738 [0,2,0,0,0,0|1,0,1]=4 13660 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [0,2,0,0,0,0|0,0,0]=2 13661 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [0,2,0,0,0,0|1,0,1]=4 13662 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [0,2,0,0,0,0|1,0,1]=4 13663 B12R0.5 CCCCCCCNCCCCF 2230a_100000229938_100000729493 [0,2,0,0,0,0|1,0,1]=4 13664 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [0,2,0,0,0,0|0,0,2]=4 13665 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [0,2,0,0,0,0|0,0,2]=4 13666 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [0,2,0,0,0,0|0,0,2]=4 13667 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [0,2,0,0,0,0|0,0,2]=4 13668 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [0,2,0,0,0,0|0,0,2]=4 13669 B12R0.5 CCCCCCCNCCCSC 2230a_100000749238_100000210681 [0,2,0,0,0,0|0,1,1]=4 13670 B12R0.5 CCCCCCCNCCOCC 2230a_100000229938_100011215890 [0,2,0,0,0,0|1,0,1]=4 13671 B12R0.5 CCCCCCCNCCOCC 2230a_102516460346_100000210681 [0,2,0,0,0,0|1,0,1]=4 13672 B12R0.5 CCCCCCCNCCOCC 34a_102516460346_100000210614 [0,2,0,0,0,0|1,0,1]=4 13673 B12R0.5 CCCCCCCNCCSCC 2230a_100000106463_100000210681 [0,2,0,0,0,0|1,0,1]=4 13674 B12R0.5 CCCCCCCNCCSCC 2230a_100000229938_100000757381 [0,2,0,0,0,0|1,0,1]=4 13675 B12R0.5 CCCCCCCOCCCC#N 7a_100000210272_100000687738 [0,2,0,0,0,0|1,0,1]=4 13676 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [0,2,0,0,0,0|0,0,0]=2 13677 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [0,2,0,0,0,0|1,0,1]=4 13678 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [0,2,0,0,0,0|1,0,1]=4 13679 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [0,2,0,0,0,0|1,0,1]=4 13680 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [0,2,0,0,0,0|1,0,1]=4 13681 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [0,2,0,0,0,0|1,0,1]=4 13682 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [0,2,0,0,0,0|1,0,1]=4 13683 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [0,2,0,0,0,0|1,0,1]=4 13684 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [0,2,0,0,0,0|1,0,1]=4 13685 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [0,2,0,0,0,0|1,0,1]=4 13686 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [0,2,0,0,0,0|1,0,1]=4 13687 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [0,2,0,0,0,0|1,0,1]=4 13688 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [0,2,0,0,0,0|1,0,1]=4 13689 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [0,2,0,0,0,0|1,0,1]=4 13690 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [0,2,0,0,0,0|0,0,2]=4 13691 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [0,2,0,0,0,0|0,0,2]=4 13692 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [0,2,0,0,0,0|1,0,1]=4 13693 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [0,2,0,0,0,0|0,0,2]=4 13694 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [0,2,0,0,0,0|0,0,2]=4 13695 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [0,2,0,0,0,0|0,0,2]=4 13696 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [0,2,0,0,0,0|0,1,1]=4 13697 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [0,2,0,0,0,0|0,1,1]=4 13698 B12R0.5 CCCCCCCOCCOCC 34a_100000210136_100000210614 [0,2,0,0,0,0|1,0,1]=4 13699 B12R0.5 CCCCCCCOCCOCC 34a_100000210272_100000210147 [0,2,0,0,0,0|1,0,1]=4 13700 B12R0.5 CCCCCCCOCCOCC 7a_100000210136_100000210614 [0,2,0,0,0,0|1,0,1]=4 13701 B12R0.5 CCCCCCCOCCOCC 7a_100000210272_100011215890 [0,2,0,0,0,0|1,0,1]=4 13702 B12R0.5 CCCCCCCOCCSCC 34a_100000210272_100000757381 [0,2,0,0,0,0|1,0,1]=4 13703 B12R0.5 CCCCCCCOCCSCC 34a_100000212035_100000210614 [0,2,0,0,0,0|1,0,1]=4 13704 B12R0.5 CCCCCCCOCCSCC 7a_100000210272_100000757381 [0,2,0,0,0,0|1,0,1]=4 13705 B12R0.5 CCCCCCCOCCSCC 7a_100000212035_100000210614 [0,2,0,0,0,0|1,0,1]=4 13706 B12R0.5 CCCCCCCSCCCC#N 62a_100000210614_100000687738 [0,2,0,0,0,0|1,0,1]=4 13707 B12R0.5 CCCCCCCSCCCC#N 62a_100000687738_100000210316 [0,2,0,0,0,0|1,0,1]=4 13708 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [0,2,0,0,0,0|0,0,0]=2 13709 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [0,2,0,0,0,0|0,0,0]=2 13710 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [0,2,0,0,0,0|1,0,1]=4 13711 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [0,2,0,0,0,0|1,0,1]=4 13712 B12R0.5 CCCCCCCSCCCCF 62a_100000210614_100000729493 [0,2,0,0,0,0|1,0,1]=4 13713 B12R0.5 CCCCCCCSCCCCF 62a_100000729493_100000210316 [0,2,0,0,0,0|1,0,1]=4 13714 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [0,2,0,0,0,0|0,0,2]=4 13715 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [0,2,0,0,0,0|0,0,2]=4 13716 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [0,2,0,0,0,0|0,0,2]=4 13717 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [0,2,0,0,0,0|0,0,2]=4 13718 B12R0.5 CCCCCCCSCCOCC 62a_100000210147_100000210316 [0,2,0,0,0,0|1,0,1]=4 13719 B12R0.5 CCCCCCCSCCOCC 62a_100000210614_100011215890 [0,2,0,0,0,0|1,0,1]=4 13720 B12R0.5 CCCCCCCSCCSC#N 62a_100000034367_100000210316 [0,2,0,0,0,0|1,0,1]=4 13721 B12R0.5 CCCCCCCSCCSC#N 62a_100000210614_100000034367 [0,2,0,0,0,0|1,0,1]=4 13722 B12R0.5 CCCCCCCSCCSCC 62a_100000210614_100000757381 [0,2,0,0,0,0|1,0,1]=4 13723 B12R0.5 CCCCCCCSCCSCC 62a_100000757381_100000210316 [0,2,0,0,0,0|1,0,1]=4 13724 B12R0.5 CCCCCCNCCCCC#N 2230a_100000210581_100000211819 [0,2,0,0,0,0|1,0,1]=4 13725 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [0,2,0,0,0,0|0,0,0]=2 13726 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [0,2,0,0,0,0|1,0,1]=4 13727 B12R0.5 CCCCCCNCCCCCF 2230a_100000210581_100000729378 [0,2,0,0,0,0|1,0,1]=4 13728 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [0,2,0,0,0,0|0,0,2]=4 13729 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [0,2,0,0,0,0|0,0,2]=4 13730 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [0,2,0,0,0,0|0,0,2]=4 13731 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [0,2,0,0,0,0|0,0,2]=4 13732 B12R0.5 CCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210314 [0,2,0,0,0,0|2,0,0]=4 13733 B12R0.5 CCCCCCNCCCOCC 2230a_100000210581_100012232248 [0,2,0,0,0,0|1,0,1]=4 13734 B12R0.5 CCCCCCNCCCOCC 2230a_100000210961_100000210314 [0,2,0,0,0,0|1,0,1]=4 13735 B12R0.5 CCCCCCNCCCOCC 34a_100000210961_100000210314 [0,2,0,0,0,0|1,0,1]=4 13736 B12R0.5 CCCCCCNCCOCC#N 2230a_100000210581_200000047693 [0,2,0,0,0,0|1,0,1]=4 13737 B12R0.5 CCCCCCNCCOCCC 2230a_100000210581_100011215938 [0,2,0,0,0,0|1,0,1]=4 13738 B12R0.5 CCCCCCNCCOCCC 2230a_100161115042_100000210314 [0,2,0,0,0,0|1,0,1]=4 13739 B12R0.5 CCCCCCNCCOCCC 34a_100161115042_100000210314 [0,2,0,0,0,0|1,0,1]=4 13740 B12R0.5 CCCCCCNCCOCCO 2230a_100000210581_100011215305 [0,2,0,0,0,0|0,0,2]=4 13741 B12R0.5 CCCCCCNCCOCCO 2230a_100000211614_100000210314 [0,2,0,0,0,0|0,0,2]=4 13742 B12R0.5 CCCCCCNCCOCCO 34a_100000211614_100000210314 [0,2,0,0,0,0|0,0,2]=4 13743 B12R0.5 CCCCCCNCCSCCC 2230a_100020603323_100000210314 [0,2,0,0,0,0|1,0,1]=4 13744 B12R0.5 CCCCCCNCCSCCO 2230a_100011219999_100000210314 [0,2,0,0,0,0|0,0,2]=4 13745 B12R0.5 CCCCCCNCOCCCC 2230a_100000210581_100011995733 [0,2,0,0,0,0|1,0,1]=4 13746 B12R0.5 CCCCCCNCOCCOC 2230a_100000210581_100000231047 [0,2,0,0,0,0|2,0,0]=4 13747 B12R0.5 CCCCCCOCCCCC#N 7a_100000210259_100000211819 [0,2,0,0,0,0|1,0,1]=4 13748 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [0,2,0,0,0,0|0,0,0]=2 13749 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [0,2,0,0,0,0|1,0,1]=4 13750 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [0,2,0,0,0,0|1,0,1]=4 13751 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [0,2,0,0,0,0|1,0,1]=4 13752 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [0,2,0,0,0,0|1,0,1]=4 13753 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [0,2,0,0,0,0|1,0,1]=4 13754 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [0,2,0,0,0,0|1,0,1]=4 13755 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [0,2,0,0,0,0|1,0,1]=4 13756 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [0,2,0,0,0,0|1,0,1]=4 13757 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [0,2,0,0,0,0|1,0,1]=4 13758 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [0,2,0,0,0,0|1,0,1]=4 13759 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [0,2,0,0,0,0|1,0,1]=4 13760 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [0,2,0,0,0,0|0,0,2]=4 13761 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [0,2,0,0,0,0|0,0,2]=4 13762 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [0,2,0,0,0,0|0,0,2]=4 13763 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [0,2,0,0,0,0|0,0,2]=4 13764 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [0,2,0,0,0,0|0,0,2]=4 13765 B12R0.5 CCCCCCOCCCCSC 34a_100011217163_100000210314 [0,2,0,0,0,0|0,1,1]=4 13766 B12R0.5 CCCCCCOCCCCSC 7a_100011217163_100000210314 [0,2,0,0,0,0|0,1,1]=4 13767 B12R0.5 CCCCCCOCCCOCC 34a_100000210259_100012232248 [0,2,0,0,0,0|1,0,1]=4 13768 B12R0.5 CCCCCCOCCCOCC 34a_100000757476_100000210314 [0,2,0,0,0,0|1,0,1]=4 13769 B12R0.5 CCCCCCOCCCOCC 7a_100000210259_100012232248 [0,2,0,0,0,0|1,0,1]=4 13770 B12R0.5 CCCCCCOCCCOCC 7a_100000757476_100000210314 [0,2,0,0,0,0|1,0,1]=4 13771 B12R0.5 CCCCCCOCCCSCC 34a_100011216438_100000210314 [0,2,0,0,0,0|1,0,1]=4 13772 B12R0.5 CCCCCCOCCCSCC 7a_100011216438_100000210314 [0,2,0,0,0,0|1,0,1]=4 13773 B12R0.5 CCCCCCOCCOCC#N 7a_100000210259_200000047693 [0,2,0,0,0,0|1,0,1]=4 13774 B12R0.5 CCCCCCOCCOCC#N 7a_100000691444_100011215382 [0,2,0,0,0,0|1,0,1]=4 13775 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [0,2,0,0,0,0|0,0,0]=2 13776 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [0,2,0,0,0,0|0,0,0]=2 13777 B12R0.5 CCCCCCOCCOCCBr 34a_100000692535_100000210314 [0,2,0,0,0,0|1,0,1]=4 13778 B12R0.5 CCCCCCOCCOCCBr 7a_100000692535_100000210314 [0,2,0,0,0,0|1,0,1]=4 13779 B12R0.5 CCCCCCOCCOCCC 34a_100000210259_100011215938 [0,2,0,0,0,0|1,0,1]=4 13780 B12R0.5 CCCCCCOCCOCCC 34a_100000691444_100000210303 [0,2,0,0,0,0|1,0,1]=4 13781 B12R0.5 CCCCCCOCCOCCC 34a_100000752267_100000210314 [0,2,0,0,0,0|1,0,1]=4 13782 B12R0.5 CCCCCCOCCOCCC 7a_100000210259_100011215938 [0,2,0,0,0,0|1,0,1]=4 13783 B12R0.5 CCCCCCOCCOCCC 7a_100000691444_100000210303 [0,2,0,0,0,0|1,0,1]=4 13784 B12R0.5 CCCCCCOCCOCCC 7a_100000752267_100000210314 [0,2,0,0,0,0|1,0,1]=4 13785 B12R0.5 CCCCCCOCCOCCCl 34a_100011215305_100000210314 [0,2,0,0,0,0|1,0,1]=4 13786 B12R0.5 CCCCCCOCCOCCCl 7a_100011215305_100000210314 [0,2,0,0,0,0|1,0,1]=4 13787 B12R0.5 CCCCCCOCCOCCF 34a_100000691444_100011217306 [0,2,0,0,0,0|1,0,1]=4 13788 B12R0.5 CCCCCCOCCOCCF 34a_200015357709_100000210314 [0,2,0,0,0,0|1,0,1]=4 13789 B12R0.5 CCCCCCOCCOCCF 7a_100000691444_100011217306 [0,2,0,0,0,0|1,0,1]=4 13790 B12R0.5 CCCCCCOCCOCCF 7a_200015357709_100000210314 [0,2,0,0,0,0|1,0,1]=4 13791 B12R0.5 CCCCCCOCCOCCI 34a_100012149058_100000210314 [0,2,0,0,0,0|1,0,1]=4 13792 B12R0.5 CCCCCCOCCOCCI 7a_100012149058_100000210314 [0,2,0,0,0,0|1,0,1]=4 13793 B12R0.5 CCCCCCOCCOCCN 34a_100000211614_100000210314 [0,2,0,0,0,0|1,0,1]=4 13794 B12R0.5 CCCCCCOCCOCCO 34a_100000210259_100000692535 [0,2,0,0,0,0|0,0,2]=4 13795 B12R0.5 CCCCCCOCCOCCO 34a_100000691444_100000211926 [0,2,0,0,0,0|0,0,2]=4 13796 B12R0.5 CCCCCCOCCOCCO 7a_100000210259_100011215305 [0,2,0,0,0,0|0,0,2]=4 13797 B12R0.5 CCCCCCOCCOCCO 7a_100000691444_100000211926 [0,2,0,0,0,0|0,0,2]=4 13798 B12R0.5 CCCCCCOCCOCSC 34a_100000691444_100011218213 [0,2,0,0,0,0|2,0,0]=4 13799 B12R0.5 CCCCCCOCCSCCC 34a_200000230433_100000210314 [0,2,0,0,0,0|1,0,1]=4 13800 B12R0.5 CCCCCCOCCSCCC 7a_200000230433_100000210314 [0,2,0,0,0,0|1,0,1]=4 13801 B12R0.5 CCCCCCOCOCCCC 34a_100000210259_100011995733 [0,2,0,0,0,0|1,0,1]=4 13802 B12R0.5 CCCCCCSCCCCC#N 62a_100000210314_100000211819 [0,2,0,0,0,0|1,0,1]=4 13803 B12R0.5 CCCCCCSCCCCC#N 62a_100011219923_100000210757 [0,2,0,0,0,0|1,0,1]=4 13804 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [0,2,0,0,0,0|0,0,0]=2 13805 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [0,2,0,0,0,0|0,0,0]=2 13806 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [0,2,0,0,0,0|1,0,1]=4 13807 B12R0.5 CCCCCCSCCCCCF 62a_100000210314_100000729378 [0,2,0,0,0,0|1,0,1]=4 13808 B12R0.5 CCCCCCSCCCCCF 62a_100000729378_100000210757 [0,2,0,0,0,0|1,0,1]=4 13809 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [0,2,0,0,0,0|0,0,2]=4 13810 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [0,2,0,0,0,0|0,0,2]=4 13811 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [0,2,0,0,0,0|0,0,2]=4 13812 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [0,2,0,0,0,0|0,0,2]=4 13813 B12R0.5 CCCCCCSCCCOCC 62a_100000210314_100012232248 [0,2,0,0,0,0|1,0,1]=4 13814 B12R0.5 CCCCCCSCCCOCC 62a_100012232248_100000210757 [0,2,0,0,0,0|1,0,1]=4 13815 B12R0.5 CCCCCCSCCOCC#N 62a_100000210314_200000047693 [0,2,0,0,0,0|1,0,1]=4 13816 B12R0.5 CCCCCCSCCOCC#N 62a_200000047693_100000210757 [0,2,0,0,0,0|1,0,1]=4 13817 B12R0.5 CCCCCCSCCOCCC 62a_100000210314_100011215938 [0,2,0,0,0,0|1,0,1]=4 13818 B12R0.5 CCCCCCSCCOCCC 62a_100011215938_100000210757 [0,2,0,0,0,0|1,0,1]=4 13819 B12R0.5 CCCCCCSCCOCCO 62a_100000210314_100011215305 [0,2,0,0,0,0|0,0,2]=4 13820 B12R0.5 CCCCCCSCCOCCO 62a_100011215305_100000210757 [0,2,0,0,0,0|0,0,2]=4 13821 B12R0.5 CCCCCCSCOCCCC 62a_100000210314_100011995733 [0,2,0,0,0,0|1,0,1]=4 13822 B12R0.5 CCCCCCSCOCCCC 62a_100011995733_100000210757 [0,2,0,0,0,0|1,0,1]=4 13823 B12R0.5 CCCCCCSCOCCOC 62a_100000210314_100000231047 [0,2,0,0,0,0|2,0,0]=4 13824 B12R0.5 CCCCCCSCOCCOC 62a_100000231047_100000210757 [0,2,0,0,0,0|2,0,0]=4 13825 B12R0.5 CCCCCNCCCCCC#N 2230a_100000209983_100009813376 [0,2,0,0,0,0|1,0,1]=4 13826 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [0,2,0,0,0,0|0,0,0]=2 13827 B12R0.5 CCCCCNCCCCCCF 2230a_100000209983_100015922095 [0,2,0,0,0,0|1,0,1]=4 13828 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [0,2,0,0,0,0|0,0,2]=4 13829 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [0,2,0,0,0,0|0,0,2]=4 13830 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [0,2,0,0,0,0|0,0,2]=4 13831 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [0,2,0,0,0,0|0,0,2]=4 13832 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [0,2,0,0,0,0|0,0,2]=4 13833 B12R0.5 CCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210326 [0,2,0,0,0,0|2,0,0]=4 13834 B12R0.5 CCCCCNCCCOCCC 2230a_100011217757_100000210326 [0,2,0,0,0,0|1,0,1]=4 13835 B12R0.5 CCCCCNCCCOCCC 34a_100011217757_100000718602 [0,2,0,0,0,0|1,0,1]=4 13836 B12R0.5 CCCCCNCCOCCCC 2230a_100000209983_100000743108 [0,2,0,0,0,0|1,0,1]=4 13837 B12R0.5 CCCCCNCCOCCCC 34a_100000224656_100000210210 [0,2,0,0,0,0|1,0,1]=4 13838 B12R0.5 CCCCCNCCOCCCF 34a_100000224656_100011934791 [0,2,0,0,0,0|1,0,1]=4 13839 B12R0.5 CCCCCNCCOCCCO 34a_100000224656_100000230001 [0,2,0,0,0,0|0,0,2]=4 13840 B12R0.5 CCCCCNCCOCCOC 2230a_100000209983_100000695917 [0,2,0,0,0,0|2,0,0]=4 13841 B12R0.5 CCCCCNCCOCCOC 2230a_100000745349_100000210326 [0,2,0,0,0,0|2,0,0]=4 13842 B12R0.5 CCCCCNCCOCCOC 34a_100000224656_100011201679 [0,2,0,0,0,0|2,0,0]=4 13843 B12R0.5 CCCCCNCCOCCOC 34a_100000745349_100000718602 [0,2,0,0,0,0|2,0,0]=4 13844 B12R0.5 CCCCCNCCOCCSC 34a_100000224656_100000212216 [0,2,0,0,0,0|2,0,0]=4 13845 B12R0.5 CCCCCNCCSCCCC 2230a_100025743550_100000210326 [0,2,0,0,0,0|1,0,1]=4 13846 B12R0.5 CCCCCOCCCCCC#N 7a_100000210253_100009813376 [0,2,0,0,0,0|1,0,1]=4 13847 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [0,2,0,0,0,0|0,0,0]=2 13848 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [0,2,0,0,0,0|1,0,1]=4 13849 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [0,2,0,0,0,0|1,0,1]=4 13850 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [0,2,0,0,0,0|1,0,1]=4 13851 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [0,2,0,0,0,0|1,0,1]=4 13852 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [0,2,0,0,0,0|1,0,1]=4 13853 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [0,2,0,0,0,0|1,0,1]=4 13854 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [0,2,0,0,0,0|1,0,1]=4 13855 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [0,2,0,0,0,0|1,0,1]=4 13856 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [0,2,0,0,0,0|1,0,1]=4 13857 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [0,2,0,0,0,0|0,0,2]=4 13858 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [0,2,0,0,0,0|0,0,2]=4 13859 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [0,2,0,0,0,0|1,0,1]=4 13860 B12R0.5 CCCCCOCCOCCC#N 7a_100011215259_100000184422 [0,2,0,0,0,0|1,0,1]=4 13861 B12R0.5 CCCCCOCCOCCCC 34a_100000210238_100000718602 [0,2,0,0,0,0|1,0,1]=4 13862 B12R0.5 CCCCCOCCOCCCC 34a_100000210253_100000743108 [0,2,0,0,0,0|1,0,1]=4 13863 B12R0.5 CCCCCOCCOCCCC 34a_100011215259_100000210210 [0,2,0,0,0,0|1,0,1]=4 13864 B12R0.5 CCCCCOCCOCCCC 7a_100000210238_100000210326 [0,2,0,0,0,0|1,0,1]=4 13865 B12R0.5 CCCCCOCCOCCCC 7a_100000210253_100000743108 [0,2,0,0,0,0|1,0,1]=4 13866 B12R0.5 CCCCCOCCOCCCC 7a_100011215259_100000210211 [0,2,0,0,0,0|1,0,1]=4 13867 B12R0.5 CCCCCOCCOCCCF 34a_100011215259_100011934791 [0,2,0,0,0,0|1,0,1]=4 13868 B12R0.5 CCCCCOCCOCCCF 7a_100011215259_100011934791 [0,2,0,0,0,0|1,0,1]=4 13869 B12R0.5 CCCCCOCCOCCCO 34a_100011215259_100000230001 [0,2,0,0,0,0|0,0,2]=4 13870 B12R0.5 CCCCCOCCOCCCO 7a_100011215259_100011215043 [0,2,0,0,0,0|0,0,2]=4 13871 B12R0.5 CCCCCOCCOCCNC 34a_100000228057_100000718602 [0,2,0,0,0,0|2,0,0]=4 13872 B12R0.5 CCCCCOCCOCCOC 34a_100000210253_100000695917 [0,2,0,0,0,0|2,0,0]=4 13873 B12R0.5 CCCCCOCCOCCOC 34a_100011215163_100000718602 [0,2,0,0,0,0|2,0,0]=4 13874 B12R0.5 CCCCCOCCOCCOC 34a_100011215259_100011201679 [0,2,0,0,0,0|2,0,0]=4 13875 B12R0.5 CCCCCOCCOCCOC 7a_100000210253_100000695917 [0,2,0,0,0,0|2,0,0]=4 13876 B12R0.5 CCCCCOCCOCCOC 7a_100011215163_100000210326 [0,2,0,0,0,0|2,0,0]=4 13877 B12R0.5 CCCCCOCCOCCOC 7a_100011215259_100000233755 [0,2,0,0,0,0|2,0,0]=4 13878 B12R0.5 CCCCCOCCOCCSC 34a_100011215259_100000212216 [0,2,0,0,0,0|2,0,0]=4 13879 B12R0.5 CCCCCOCCOCCSC 7a_100011215259_100000212216 [0,2,0,0,0,0|2,0,0]=4 13880 B12R0.5 CCCCCOCCSCCCC 34a_200000230436_100000718602 [0,2,0,0,0,0|1,0,1]=4 13881 B12R0.5 CCCCCOCCSCCCC 7a_200000230436_100000210326 [0,2,0,0,0,0|1,0,1]=4 13882 B12R0.5 CCCCCSCCCCCC#N 62a_100000210326_100009813376 [0,2,0,0,0,0|1,0,1]=4 13883 B12R0.5 CCCCCSCCCCCC#N 62a_100009813376_100000210326 [0,2,0,0,0,0|1,0,1]=4 13884 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [0,2,0,0,0,0|0,0,0]=2 13885 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [0,2,0,0,0,0|0,0,0]=2 13886 B12R0.5 CCCCCSCCCCCCF 62a_100000210326_100015922095 [0,2,0,0,0,0|1,0,1]=4 13887 B12R0.5 CCCCCSCCCCCCF 62a_100015922095_100000210326 [0,2,0,0,0,0|1,0,1]=4 13888 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [0,2,0,0,0,0|0,0,2]=4 13889 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [0,2,0,0,0,0|0,0,2]=4 13890 B12R0.5 CCCCCSCCOCCCC 62a_100000210326_100000743108 [0,2,0,0,0,0|1,0,1]=4 13891 B12R0.5 CCCCCSCCOCCCC 62a_100000743108_100000210326 [0,2,0,0,0,0|1,0,1]=4 13892 B12R0.5 CCCCCSCCOCCOC 62a_100000210326_100000695917 [0,2,0,0,0,0|2,0,0]=4 13893 B12R0.5 CCCCCSCCOCCOC 62a_100000695917_100000210326 [0,2,0,0,0,0|2,0,0]=4 13894 B12R0.5 CCCCNCCCCCCC#N 2230a_100000102301_100009813337 [0,2,0,0,0,0|1,0,1]=4 13895 B12R0.5 CCCCNCCCCCCC#N 7a_106832991798_100009813337 [0,2,0,0,0,0|1,0,1]=4 13896 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [0,2,0,0,0,0|0,0,2]=4 13897 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [0,2,0,0,0,0|0,0,2]=4 13898 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [0,2,0,0,0,0|0,0,2]=4 13899 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [0,2,0,0,0,0|0,0,2]=4 13900 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [0,2,0,0,0,0|0,0,2]=4 13901 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [0,2,0,0,0,0|0,0,2]=4 13902 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [0,2,0,0,0,0|0,0,0]=2 13903 B12R0.5 CCCCNCCCCOCCC 34a_200011216965_100000210303 [0,2,0,0,0,0|1,0,1]=4 13904 B12R0.5 CCCCNCCCCOCCF 34a_200011216965_100011217306 [0,2,0,0,0,0|1,0,1]=4 13905 B12R0.5 CCCCNCCCCOCCO 34a_200011216965_100000211926 [0,2,0,0,0,0|0,0,2]=4 13906 B12R0.5 CCCCNCCCCOCSC 34a_200011216965_100011218213 [0,2,0,0,0,0|2,0,0]=4 13907 B12R0.5 CCCCNCCCOCCCC 2230a_200000211371_100000210211 [0,2,0,0,0,0|1,0,1]=4 13908 B12R0.5 CCCCNCCCOCCCC 34a_200000211371_100000210210 [0,2,0,0,0,0|1,0,1]=4 13909 B12R0.5 CCCCNCCCOCCCO 2230a_100011310245_100000210211 [0,2,0,0,0,0|0,0,2]=4 13910 B12R0.5 CCCCNCCCOCCCO 34a_100011310245_100000210210 [0,2,0,0,0,0|0,0,2]=4 13911 B12R0.5 CCCCNCCCOCCOC 2230a_100000102301_100011216529 [0,2,0,0,0,0|2,0,0]=4 13912 B12R0.5 CCCCNCCCOCCOC 2230a_100000206027_100000210211 [0,2,0,0,0,0|2,0,0]=4 13913 B12R0.5 CCCCNCCCOCCOC 34a_100000206027_100000210210 [0,2,0,0,0,0|2,0,0]=4 13914 B12R0.5 CCCCNCCCOCCOC 7a_106832991798_100011216529 [0,2,0,0,0,0|2,0,0]=4 13915 B12R0.5 CCCCOCCCCCCC#N 7a_100000210227_100009813337 [0,2,0,0,0,0|1,0,1]=4 13916 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [0,2,0,0,0,0|1,0,1]=4 13917 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [0,2,0,0,0,0|1,0,1]=4 13918 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [0,2,0,0,0,0|1,0,1]=4 13919 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [0,2,0,0,0,0|0,0,2]=4 13920 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [0,2,0,0,0,0|0,0,2]=4 13921 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [0,2,0,0,0,0|0,0,2]=4 13922 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [0,2,0,0,0,0|0,0,2]=4 13923 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [0,2,0,0,0,0|0,0,2]=4 13924 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [0,2,0,0,0,0|0,0,2]=4 13925 B12R0.5 CCCCOCCCCOCC#N 7a_200000760531_100011215382 [0,2,0,0,0,0|1,0,1]=4 13926 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [0,2,0,0,0,0|0,0,0]=2 13927 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [0,2,0,0,0,0|0,0,0]=2 13928 B12R0.5 CCCCOCCCCOCCC 34a_200000760531_100000210303 [0,2,0,0,0,0|1,0,1]=4 13929 B12R0.5 CCCCOCCCCOCCC 7a_200000760531_100000210303 [0,2,0,0,0,0|1,0,1]=4 13930 B12R0.5 CCCCOCCCCOCCF 34a_200000760531_100011217306 [0,2,0,0,0,0|1,0,1]=4 13931 B12R0.5 CCCCOCCCCOCCF 7a_200000760531_100011217306 [0,2,0,0,0,0|1,0,1]=4 13932 B12R0.5 CCCCOCCCCOCCO 34a_200000760531_100000211926 [0,2,0,0,0,0|0,0,2]=4 13933 B12R0.5 CCCCOCCCCOCCO 7a_200000760531_100000211926 [0,2,0,0,0,0|0,0,2]=4 13934 B12R0.5 CCCCOCCCCOCSC 34a_200000760531_100011218213 [0,2,0,0,0,0|2,0,0]=4 13935 B12R0.5 CCCCOCCCNCCC#N 2230a_200000211371_100011215226 [0,2,0,0,0,0|1,0,1]=4 13936 B12R0.5 CCCCOCCCNCCCF 2230a_200000211371_100011934791 [0,2,0,0,0,0|1,0,1]=4 13937 B12R0.5 CCCCOCCCNCCCF 34a_200000211371_100011934791 [0,2,0,0,0,0|1,0,1]=4 13938 B12R0.5 CCCCOCCCNCCCO 2230a_200000211371_100000230001 [0,2,0,0,0,0|0,0,2]=4 13939 B12R0.5 CCCCOCCCNCCCO 34a_200000211371_100000230001 [0,2,0,0,0,0|0,0,2]=4 13940 B12R0.5 CCCCOCCCNCCOC 2230a_200000211371_100011201679 [0,2,0,0,0,0|2,0,0]=4 13941 B12R0.5 CCCCOCCCNCCOC 34a_200000211371_100011201679 [0,2,0,0,0,0|2,0,0]=4 13942 B12R0.5 CCCCOCCCNCCSC 2230a_200000211371_100000751147 [0,2,0,0,0,0|2,0,0]=4 13943 B12R0.5 CCCCOCCCNCCSC 34a_200000211371_100000212216 [0,2,0,0,0,0|2,0,0]=4 13944 B12R0.5 CCCCOCCCOCCC#N 7a_200011215613_100000184422 [0,2,0,0,0,0|1,0,1]=4 13945 B12R0.5 CCCCOCCCOCCCC 34a_200011215613_100000210210 [0,2,0,0,0,0|1,0,1]=4 13946 B12R0.5 CCCCOCCCOCCCC 7a_200011215613_100000210211 [0,2,0,0,0,0|1,0,1]=4 13947 B12R0.5 CCCCOCCCOCCCF 34a_200011215613_100011934791 [0,2,0,0,0,0|1,0,1]=4 13948 B12R0.5 CCCCOCCCOCCCF 7a_200011215613_100011934791 [0,2,0,0,0,0|1,0,1]=4 13949 B12R0.5 CCCCOCCCOCCCN 34a_100011310245_100000210210 [0,2,0,0,0,0|1,0,1]=4 13950 B12R0.5 CCCCOCCCOCCCO 34a_200011215613_100000230001 [0,2,0,0,0,0|0,0,2]=4 13951 B12R0.5 CCCCOCCCOCCCO 7a_200011215613_100011215043 [0,2,0,0,0,0|0,0,2]=4 13952 B12R0.5 CCCCOCCCOCCOC 34a_100000210227_100011216529 [0,2,0,0,0,0|2,0,0]=4 13953 B12R0.5 CCCCOCCCOCCOC 34a_200011215613_100011201679 [0,2,0,0,0,0|2,0,0]=4 13954 B12R0.5 CCCCOCCCOCCOC 7a_100000210227_100011216529 [0,2,0,0,0,0|2,0,0]=4 13955 B12R0.5 CCCCOCCCOCCOC 7a_200011215613_100000233755 [0,2,0,0,0,0|2,0,0]=4 13956 B12R0.5 CCCCOCCCOCCSC 34a_200011215613_100000212216 [0,2,0,0,0,0|2,0,0]=4 13957 B12R0.5 CCCCOCCCOCCSC 7a_200011215613_100000212216 [0,2,0,0,0,0|2,0,0]=4 13958 B12R0.5 CCCCOCCNCCCCO 2230a_100000750430_100000743108 [0,2,0,0,0,0|0,0,2]=4 13959 B12R0.5 CCCCOCCNCCCCO 34a_100000750430_100000743108 [0,2,0,0,0,0|0,0,2]=4 13960 B12R0.5 CCCCOCCNCCCOC 34a_100150723488_100000743108 [0,2,0,0,0,0|2,0,0]=4 13961 B12R0.5 CCCCOCCNCCCSC 2230a_100000749238_100000743108 [0,2,0,0,0,0|2,0,0]=4 13962 B12R0.5 CCCCOCCOCCCC#N 7a_100000210238_100000687738 [0,2,0,0,0,0|1,0,1]=4 13963 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [0,2,0,0,0,0|0,0,0]=2 13964 B12R0.5 CCCCOCCOCCCCBr 34a_100011216708_100000743108 [0,2,0,0,0,0|1,0,1]=4 13965 B12R0.5 CCCCOCCOCCCCCl 34a_100000210776_100000743108 [0,2,0,0,0,0|1,0,1]=4 13966 B12R0.5 CCCCOCCOCCCCCl 7a_100000210776_100000743108 [0,2,0,0,0,0|1,0,1]=4 13967 B12R0.5 CCCCOCCOCCCCF 34a_100000210238_100000729493 [0,2,0,0,0,0|1,0,1]=4 13968 B12R0.5 CCCCOCCOCCCCF 34a_100011995726_100000743108 [0,2,0,0,0,0|1,0,1]=4 13969 B12R0.5 CCCCOCCOCCCCF 7a_100000210238_100000729493 [0,2,0,0,0,0|1,0,1]=4 13970 B12R0.5 CCCCOCCOCCCCF 7a_100011995726_100000743108 [0,2,0,0,0,0|1,0,1]=4 13971 B12R0.5 CCCCOCCOCCCCI 34a_200012148704_100000743108 [0,2,0,0,0,0|1,0,1]=4 13972 B12R0.5 CCCCOCCOCCCCN 34a_100000750430_100000743108 [0,2,0,0,0,0|1,0,1]=4 13973 B12R0.5 CCCCOCCOCCCCO 34a_100000210238_100011216708 [0,2,0,0,0,0|0,0,2]=4 13974 B12R0.5 CCCCOCCOCCCCO 7a_100000210238_100000210776 [0,2,0,0,0,0|0,0,2]=4 13975 B12R0.5 CCCCOCCOCCCNC 34a_100000213112_100000743108 [0,2,0,0,0,0|2,0,0]=4 13976 B12R0.5 CCCCOCCOCCCOC 34a_100000210238_100000740836 [0,2,0,0,0,0|2,0,0]=4 13977 B12R0.5 CCCCOCCOCCCOC 34a_100000740835_100000743108 [0,2,0,0,0,0|2,0,0]=4 13978 B12R0.5 CCCCOCCOCCCOC 7a_100000210238_100000740836 [0,2,0,0,0,0|2,0,0]=4 13979 B12R0.5 CCCCOCCOCCCSC 34a_100000690336_100000743108 [0,2,0,0,0,0|2,0,0]=4 13980 B12R0.5 CCCCOCCOCCCSC 7a_100000690336_100000743108 [0,2,0,0,0,0|2,0,0]=4 13981 B12R0.5 CCCCOCCSCCCC#N 62a_100000687738_100000743108 [0,2,0,0,0,0|1,0,1]=4 13982 B12R0.5 CCCCOCCSCCCC#N 62a_100000743108_100000687738 [0,2,0,0,0,0|1,0,1]=4 13983 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [0,2,0,0,0,0|0,0,0]=2 13984 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [0,2,0,0,0,0|0,0,0]=2 13985 B12R0.5 CCCCOCCSCCCCF 62a_100000729493_100000743108 [0,2,0,0,0,0|1,0,1]=4 13986 B12R0.5 CCCCOCCSCCCCF 62a_100000743108_100000729493 [0,2,0,0,0,0|1,0,1]=4 13987 B12R0.5 CCCCOCCSCCCCO 62a_100000210776_100000743108 [0,2,0,0,0,0|0,0,2]=4 13988 B12R0.5 CCCCOCCSCCCCO 62a_100000743108_100000210776 [0,2,0,0,0,0|0,0,2]=4 13989 B12R0.5 CCCCOCCSCCCOC 62a_100000709357_100000743108 [0,2,0,0,0,0|2,0,0]=4 13990 B12R0.5 CCCCOCCSCCCOC 62a_100000743108_100000709357 [0,2,0,0,0,0|2,0,0]=4 13991 B12R0.5 CCCCOCNCCCCCO 2230a_100000762737_100011995733 [0,2,0,0,0,0|0,0,2]=4 13992 B12R0.5 CCCCOCNCCCCCO 34a_100000762737_100011995733 [0,2,0,0,0,0|0,0,2]=4 13993 B12R0.5 CCCCOCOCCCCCBr 34a_100000746331_100011995733 [0,2,0,0,0,0|1,0,1]=4 13994 B12R0.5 CCCCOCOCCCCCCl 34a_100000746330_100011995733 [0,2,0,0,0,0|1,0,1]=4 13995 B12R0.5 CCCCOCOCCCCCI 34a_200012148887_100011995733 [0,2,0,0,0,0|1,0,1]=4 13996 B12R0.5 CCCCOCOCCCCCN 34a_100000762737_100011995733 [0,2,0,0,0,0|1,0,1]=4 13997 B12R0.5 CCCCOCOCCCCOC 34a_100000740925_100011995733 [0,2,0,0,0,0|2,0,0]=4 13998 B12R0.5 CCCCOCOCCCCSC 34a_100011217163_100011995733 [0,2,0,0,0,0|2,0,0]=4 13999 B12R0.5 CCCCOCSCCCCC#N 62a_100011219923_100011995733 [0,2,0,0,0,0|1,0,1]=4 14000 B12R0.5 CCCCOCSCCCCC#N 62a_100011995733_100000211819 [0,2,0,0,0,0|1,0,1]=4 14001 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [0,2,0,0,0,0|0,0,0]=2 14002 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [0,2,0,0,0,0|0,0,0]=2 14003 B12R0.5 CCCCOCSCCCCCF 62a_100000729378_100011995733 [0,2,0,0,0,0|1,0,1]=4 14004 B12R0.5 CCCCOCSCCCCCF 62a_100011995733_100000729378 [0,2,0,0,0,0|1,0,1]=4 14005 B12R0.5 CCCCOCSCCCCCO 62a_100000746330_100011995733 [0,2,0,0,0,0|0,0,2]=4 14006 B12R0.5 CCCCOCSCCCCCO 62a_100011995733_100000746330 [0,2,0,0,0,0|0,0,2]=4 14007 B12R0.5 CCCCOCSCCCCOC 62a_100000730899_100011995733 [0,2,0,0,0,0|2,0,0]=4 14008 B12R0.5 CCCCOCSCCCCOC 62a_100011995733_100000730899 [0,2,0,0,0,0|2,0,0]=4 14009 B12R0.5 CCCCSCCCCCCC#N 62a_100000210211_100009813337 [0,2,0,0,0,0|1,0,1]=4 14010 B12R0.5 CCCCSCCCCCCC#N 62a_100009813337_100000210210 [0,2,0,0,0,0|1,0,1]=4 14011 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [0,2,0,0,0,0|0,0,2]=4 14012 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [0,2,0,0,0,0|0,0,2]=4 14013 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [0,2,0,0,0,0|0,0,2]=4 14014 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [0,2,0,0,0,0|0,0,2]=4 14015 B12R0.5 CCCCSCCCOCCOC 62a_100000210211_100011216529 [0,2,0,0,0,0|2,0,0]=4 14016 B12R0.5 CCCCSCCCOCCOC 62a_100011216529_100000210210 [0,2,0,0,0,0|2,0,0]=4 14017 B12R0.5 CCCCSCCNCCCC#N 2230a_100025743550_100000687738 [0,2,0,0,0,0|1,0,1]=4 14018 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [0,2,0,0,0,0|0,0,0]=2 14019 B12R0.5 CCCCSCCNCCCCF 2230a_100025743550_100000729493 [0,2,0,0,0,0|1,0,1]=4 14020 B12R0.5 CCCCSCCNCCCCO 2230a_100025743550_100000210776 [0,2,0,0,0,0|0,0,2]=4 14021 B12R0.5 CCCCSCCNCCCOC 2230a_100025743550_100000740836 [0,2,0,0,0,0|2,0,0]=4 14022 B12R0.5 CCCCSCCOCCCC#N 7a_200000230436_100000687738 [0,2,0,0,0,0|1,0,1]=4 14023 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [0,2,0,0,0,0|0,0,0]=2 14024 B12R0.5 CCCCSCCOCCCCF 34a_200000230436_100000729493 [0,2,0,0,0,0|1,0,1]=4 14025 B12R0.5 CCCCSCCOCCCCF 7a_200000230436_100000729493 [0,2,0,0,0,0|1,0,1]=4 14026 B12R0.5 CCCCSCCOCCCCO 34a_200000230436_100011216708 [0,2,0,0,0,0|0,0,2]=4 14027 B12R0.5 CCCCSCCOCCCCO 7a_200000230436_100000210776 [0,2,0,0,0,0|0,0,2]=4 14028 B12R0.5 CCCCSCCOCCCOC 34a_200000230436_100000740836 [0,2,0,0,0,0|2,0,0]=4 14029 B12R0.5 CCCCSCCOCCCOC 7a_200000230436_100000740836 [0,2,0,0,0,0|2,0,0]=4 14030 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [0,2,0,0,0,0|0,0,2]=4 14031 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [0,2,0,0,0,0|0,0,2]=4 14032 B12R0.5 CCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210303 [0,2,0,0,0,0|2,0,0]=4 14033 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [0,2,0,0,0,0|1,0,1]=4 14034 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [0,2,0,0,0,0|1,0,1]=4 14035 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [0,2,0,0,0,0|1,0,1]=4 14036 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [0,2,0,0,0,0|1,0,1]=4 14037 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [0,2,0,0,0,0|1,0,1]=4 14038 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [0,2,0,0,0,0|0,0,2]=4 14039 B12R0.5 CCCOCCCCCNCCN 34a_103619048469_100000210303 [0,2,0,0,0,0|1,0,1]=4 14040 B12R0.5 CCCOCCCNCCCC#N 2230a_100011217757_100000687738 [0,2,0,0,0,0|1,0,1]=4 14041 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [0,2,0,0,0,0|0,0,0]=2 14042 B12R0.5 CCCOCCCNCCCCF 2230a_100011217757_100000729493 [0,2,0,0,0,0|1,0,1]=4 14043 B12R0.5 CCCOCCCNCCCCF 34a_100011217757_100000729493 [0,2,0,0,0,0|1,0,1]=4 14044 B12R0.5 CCCOCCCNCCCCO 2230a_100011217757_100000210776 [0,2,0,0,0,0|0,0,2]=4 14045 B12R0.5 CCCOCCCNCCCCO 34a_100011217757_100011216708 [0,2,0,0,0,0|0,0,2]=4 14046 B12R0.5 CCCOCCCNCCCOC 2230a_100011217757_100000740836 [0,2,0,0,0,0|2,0,0]=4 14047 B12R0.5 CCCOCCCNCCCOC 34a_100011217757_100000740836 [0,2,0,0,0,0|2,0,0]=4 14048 B12R0.5 CCCOCCCOCCCOC 34a_200011215475_100000210303 [0,2,0,0,0,0|2,0,0]=4 14049 B12R0.5 CCCOCCCOCCCOC 7a_200011215475_100000210303 [0,2,0,0,0,0|2,0,0]=4 14050 B12R0.5 CCCOCCNCCCCC#N 2230a_100161115042_100000211819 [0,2,0,0,0,0|1,0,1]=4 14051 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [0,2,0,0,0,0|0,0,0]=2 14052 B12R0.5 CCCOCCNCCCCCF 2230a_100161115042_100000729378 [0,2,0,0,0,0|1,0,1]=4 14053 B12R0.5 CCCOCCNCCCCCF 34a_100161115042_100000729378 [0,2,0,0,0,0|1,0,1]=4 14054 B12R0.5 CCCOCCNCCCCCO 2230a_100000762737_100011215938 [0,2,0,0,0,0|0,0,2]=4 14055 B12R0.5 CCCOCCNCCCCCO 2230a_100161115042_100000746330 [0,2,0,0,0,0|0,0,2]=4 14056 B12R0.5 CCCOCCNCCCCCO 34a_100000762737_100011215938 [0,2,0,0,0,0|0,0,2]=4 14057 B12R0.5 CCCOCCNCCCCCO 34a_100161115042_100000746330 [0,2,0,0,0,0|0,0,2]=4 14058 B12R0.5 CCCOCCNCCCCOC 2230a_100161115042_100000730899 [0,2,0,0,0,0|2,0,0]=4 14059 B12R0.5 CCCOCCNCCCCOC 34a_100161115042_100000755781 [0,2,0,0,0,0|2,0,0]=4 14060 B12R0.5 CCCOCCOCCCCC#N 7a_100000752267_100000211819 [0,2,0,0,0,0|1,0,1]=4 14061 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [0,2,0,0,0,0|0,0,0]=2 14062 B12R0.5 CCCOCCOCCCCCBr 34a_100000746331_100011215938 [0,2,0,0,0,0|1,0,1]=4 14063 B12R0.5 CCCOCCOCCCCCBr 7a_100000746331_100011215938 [0,2,0,0,0,0|1,0,1]=4 14064 B12R0.5 CCCOCCOCCCCCCl 34a_100000746330_100011215938 [0,2,0,0,0,0|1,0,1]=4 14065 B12R0.5 CCCOCCOCCCCCCl 7a_100000746330_100011215938 [0,2,0,0,0,0|1,0,1]=4 14066 B12R0.5 CCCOCCOCCCCCF 34a_100000752267_100000729378 [0,2,0,0,0,0|1,0,1]=4 14067 B12R0.5 CCCOCCOCCCCCF 7a_100000752267_100000729378 [0,2,0,0,0,0|1,0,1]=4 14068 B12R0.5 CCCOCCOCCCCCI 34a_200012148887_100011215938 [0,2,0,0,0,0|1,0,1]=4 14069 B12R0.5 CCCOCCOCCCCCI 7a_200012148887_100011215938 [0,2,0,0,0,0|1,0,1]=4 14070 B12R0.5 CCCOCCOCCCCCN 34a_100000762737_100011215938 [0,2,0,0,0,0|1,0,1]=4 14071 B12R0.5 CCCOCCOCCCCCO 34a_100000752267_100000746330 [0,2,0,0,0,0|0,0,2]=4 14072 B12R0.5 CCCOCCOCCCCCO 7a_100000752267_100000746330 [0,2,0,0,0,0|0,0,2]=4 14073 B12R0.5 CCCOCCOCCCCOC 34a_100000740925_100011215938 [0,2,0,0,0,0|2,0,0]=4 14074 B12R0.5 CCCOCCOCCCCOC 34a_100000752267_100000755781 [0,2,0,0,0,0|2,0,0]=4 14075 B12R0.5 CCCOCCOCCCCOC 7a_100000752267_100000730899 [0,2,0,0,0,0|2,0,0]=4 14076 B12R0.5 CCCOCCOCCCCSC 34a_100011217163_100011215938 [0,2,0,0,0,0|2,0,0]=4 14077 B12R0.5 CCCOCCOCCCCSC 7a_100011217163_100011215938 [0,2,0,0,0,0|2,0,0]=4 14078 B12R0.5 CCCOCCOCCNCC=O 2230a_200011904461_200015260668 [0,2,0,0,0,0|1,0,0]=3 14079 B12R0.5 CCCOCCOCCNCC=O 34a_200011904461_200009817547 [0,2,0,0,0,0|1,0,0]=3 14080 B12R0.5 CCCOCCSCCCCC#N 62a_100011215938_100000211819 [0,2,0,0,0,0|1,0,1]=4 14081 B12R0.5 CCCOCCSCCCCC#N 62a_100011219923_100011215938 [0,2,0,0,0,0|1,0,1]=4 14082 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [0,2,0,0,0,0|0,0,0]=2 14083 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [0,2,0,0,0,0|0,0,0]=2 14084 B12R0.5 CCCOCCSCCCCCF 62a_100000729378_100011215938 [0,2,0,0,0,0|1,0,1]=4 14085 B12R0.5 CCCOCCSCCCCCF 62a_100011215938_100000729378 [0,2,0,0,0,0|1,0,1]=4 14086 B12R0.5 CCCOCCSCCCCCO 62a_100000746330_100011215938 [0,2,0,0,0,0|0,0,2]=4 14087 B12R0.5 CCCOCCSCCCCCO 62a_100011215938_100000746330 [0,2,0,0,0,0|0,0,2]=4 14088 B12R0.5 CCCOCCSCCCCOC 62a_100000730899_100011215938 [0,2,0,0,0,0|2,0,0]=4 14089 B12R0.5 CCCOCCSCCCCOC 62a_100011215938_100000730899 [0,2,0,0,0,0|2,0,0]=4 14090 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [0,2,0,0,0,0|0,0,2]=4 14091 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [0,2,0,0,0,0|0,0,2]=4 14092 B12R0.5 CCCSCCNCCCCC#N 2230a_100020603323_100000211819 [0,2,0,0,0,0|1,0,1]=4 14093 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [0,2,0,0,0,0|0,0,0]=2 14094 B12R0.5 CCCSCCNCCCCCF 2230a_100020603323_100000729378 [0,2,0,0,0,0|1,0,1]=4 14095 B12R0.5 CCCSCCNCCCCCO 2230a_100020603323_100000746330 [0,2,0,0,0,0|0,0,2]=4 14096 B12R0.5 CCCSCCNCCCCOC 2230a_100020603323_100000730899 [0,2,0,0,0,0|2,0,0]=4 14097 B12R0.5 CCCSCCOCCCCC#N 7a_200000230433_100000211819 [0,2,0,0,0,0|1,0,1]=4 14098 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [0,2,0,0,0,0|0,0,0]=2 14099 B12R0.5 CCCSCCOCCCCCF 34a_200000230433_100000729378 [0,2,0,0,0,0|1,0,1]=4 14100 B12R0.5 CCCSCCOCCCCCF 7a_200000230433_100000729378 [0,2,0,0,0,0|1,0,1]=4 14101 B12R0.5 CCCSCCOCCCCCO 34a_200000230433_100000746330 [0,2,0,0,0,0|0,0,2]=4 14102 B12R0.5 CCCSCCOCCCCCO 7a_200000230433_100000746330 [0,2,0,0,0,0|0,0,2]=4 14103 B12R0.5 CCCSCCOCCCCOC 34a_200000230433_100000755781 [0,2,0,0,0,0|2,0,0]=4 14104 B12R0.5 CCCSCCOCCCCOC 7a_200000230433_100000730899 [0,2,0,0,0,0|2,0,0]=4 14105 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [0,2,0,0,0,0|0,0,2]=4 14106 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [0,2,0,0,0,0|0,0,2]=4 14107 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [0,2,0,0,0,0|0,0,2]=4 14108 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [0,2,0,0,0,0|1,0,1]=4 14109 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [0,2,0,0,0,0|1,0,1]=4 14110 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [0,2,0,0,0,0|1,0,1]=4 14111 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [0,2,0,0,0,0|1,0,1]=4 14112 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [0,2,0,0,0,0|1,0,1]=4 14113 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [0,2,0,0,0,0|0,0,2]=4 14114 B12R0.5 CCOCCCNCCCCC#N 2230a_100000210961_100000211819 [0,2,0,0,0,0|1,0,1]=4 14115 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [0,2,0,0,0,0|0,0,0]=2 14116 B12R0.5 CCOCCCNCCCCCF 2230a_100000210961_100000729378 [0,2,0,0,0,0|1,0,1]=4 14117 B12R0.5 CCOCCCNCCCCCF 34a_100000210961_100000729378 [0,2,0,0,0,0|1,0,1]=4 14118 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [0,2,0,0,0,0|0,0,2]=4 14119 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [0,2,0,0,0,0|0,0,2]=4 14120 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [0,2,0,0,0,0|0,0,2]=4 14121 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [0,2,0,0,0,0|0,0,2]=4 14122 B12R0.5 CCOCCCNCCCCOC 2230a_100000210961_100000730899 [0,2,0,0,0,0|2,0,0]=4 14123 B12R0.5 CCOCCCNCCCCOC 34a_100000210961_100000755781 [0,2,0,0,0,0|2,0,0]=4 14124 B12R0.5 CCOCCCOCCCCC#N 7a_100000757476_100000211819 [0,2,0,0,0,0|1,0,1]=4 14125 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [0,2,0,0,0,0|0,0,0]=2 14126 B12R0.5 CCOCCCOCCCCCBr 34a_100000746331_100012232248 [0,2,0,0,0,0|1,0,1]=4 14127 B12R0.5 CCOCCCOCCCCCBr 7a_100000746331_100012232248 [0,2,0,0,0,0|1,0,1]=4 14128 B12R0.5 CCOCCCOCCCCCCl 34a_100000746330_100012232248 [0,2,0,0,0,0|1,0,1]=4 14129 B12R0.5 CCOCCCOCCCCCCl 7a_100000746330_100012232248 [0,2,0,0,0,0|1,0,1]=4 14130 B12R0.5 CCOCCCOCCCCCF 34a_100000757476_100000729378 [0,2,0,0,0,0|1,0,1]=4 14131 B12R0.5 CCOCCCOCCCCCF 7a_100000757476_100000729378 [0,2,0,0,0,0|1,0,1]=4 14132 B12R0.5 CCOCCCOCCCCCI 34a_200012148887_100012232248 [0,2,0,0,0,0|1,0,1]=4 14133 B12R0.5 CCOCCCOCCCCCI 7a_200012148887_100012232248 [0,2,0,0,0,0|1,0,1]=4 14134 B12R0.5 CCOCCCOCCCCCN 34a_100000762737_100012232248 [0,2,0,0,0,0|1,0,1]=4 14135 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [0,2,0,0,0,0|0,0,2]=4 14136 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [0,2,0,0,0,0|0,0,2]=4 14137 B12R0.5 CCOCCCOCCCCOC 34a_100000740925_100012232248 [0,2,0,0,0,0|2,0,0]=4 14138 B12R0.5 CCOCCCOCCCCOC 34a_100000757476_100000755781 [0,2,0,0,0,0|2,0,0]=4 14139 B12R0.5 CCOCCCOCCCCOC 7a_100000757476_100000730899 [0,2,0,0,0,0|2,0,0]=4 14140 B12R0.5 CCOCCCOCCCCSC 34a_100011217163_100012232248 [0,2,0,0,0,0|2,0,0]=4 14141 B12R0.5 CCOCCCOCCCCSC 7a_100011217163_100012232248 [0,2,0,0,0,0|2,0,0]=4 14142 B12R0.5 CCOCCCSCCCCC#N 62a_100011219923_100012232248 [0,2,0,0,0,0|1,0,1]=4 14143 B12R0.5 CCOCCCSCCCCC#N 62a_100012232248_100000211819 [0,2,0,0,0,0|1,0,1]=4 14144 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [0,2,0,0,0,0|0,0,0]=2 14145 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [0,2,0,0,0,0|0,0,0]=2 14146 B12R0.5 CCOCCCSCCCCCF 62a_100000729378_100012232248 [0,2,0,0,0,0|1,0,1]=4 14147 B12R0.5 CCOCCCSCCCCCF 62a_100012232248_100000729378 [0,2,0,0,0,0|1,0,1]=4 14148 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [0,2,0,0,0,0|0,0,2]=4 14149 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [0,2,0,0,0,0|0,0,2]=4 14150 B12R0.5 CCOCCCSCCCCOC 62a_100000730899_100012232248 [0,2,0,0,0,0|2,0,0]=4 14151 B12R0.5 CCOCCCSCCCCOC 62a_100012232248_100000730899 [0,2,0,0,0,0|2,0,0]=4 14152 B12R0.5 CCOCCNCCCCCC#N 2230a_102516460346_100009813376 [0,2,0,0,0,0|1,0,1]=4 14153 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [0,2,0,0,0,0|0,0,0]=2 14154 B12R0.5 CCOCCNCCCCCCF 2230a_102516460346_100015922095 [0,2,0,0,0,0|1,0,1]=4 14155 B12R0.5 CCOCCNCCCCCCF 34a_102516460346_100015922095 [0,2,0,0,0,0|1,0,1]=4 14156 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [0,2,0,0,0,0|0,0,2]=4 14157 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [0,2,0,0,0,0|0,0,2]=4 14158 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [0,2,0,0,0,0|0,0,2]=4 14159 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [0,2,0,0,0,0|0,0,2]=4 14160 B12R0.5 CCOCCNCCCCCOC 2230a_100000747528_100011215890 [0,2,0,0,0,0|2,0,0]=4 14161 B12R0.5 CCOCCNCCCCCOC 34a_100000747528_100000210147 [0,2,0,0,0,0|2,0,0]=4 14162 B12R0.5 CCOCCOCCCCCC#N 7a_100000210136_100009813376 [0,2,0,0,0,0|1,0,1]=4 14163 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [0,2,0,0,0,0|0,0,0]=2 14164 B12R0.5 CCOCCOCCCCCCBr 34a_100011215345_100000210147 [0,2,0,0,0,0|1,0,1]=4 14165 B12R0.5 CCOCCOCCCCCCBr 7a_100011215345_100011215890 [0,2,0,0,0,0|1,0,1]=4 14166 B12R0.5 CCOCCOCCCCCCCl 34a_100000766143_100000210147 [0,2,0,0,0,0|1,0,1]=4 14167 B12R0.5 CCOCCOCCCCCCCl 7a_100000766143_100011215890 [0,2,0,0,0,0|1,0,1]=4 14168 B12R0.5 CCOCCOCCCCCCF 34a_100000210136_100015922095 [0,2,0,0,0,0|1,0,1]=4 14169 B12R0.5 CCOCCOCCCCCCF 34a_100000732779_100000210147 [0,2,0,0,0,0|1,0,1]=4 14170 B12R0.5 CCOCCOCCCCCCF 7a_100000210136_100015922095 [0,2,0,0,0,0|1,0,1]=4 14171 B12R0.5 CCOCCOCCCCCCF 7a_100000732779_100011215890 [0,2,0,0,0,0|1,0,1]=4 14172 B12R0.5 CCOCCOCCCCCCN 34a_100000686447_100000210147 [0,2,0,0,0,0|1,0,1]=4 14173 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [0,2,0,0,0,0|0,0,2]=4 14174 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [0,2,0,0,0,0|0,0,2]=4 14175 B12R0.5 CCOCCOCCCCCNC 34a_100000722520_100000210147 [0,2,0,0,0,0|2,0,0]=4 14176 B12R0.5 CCOCCSCCCCCC#N 62a_100000210147_100009813376 [0,2,0,0,0,0|1,0,1]=4 14177 B12R0.5 CCOCCSCCCCCC#N 62a_100009813376_100011215890 [0,2,0,0,0,0|1,0,1]=4 14178 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [0,2,0,0,0,0|0,0,0]=2 14179 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [0,2,0,0,0,0|0,0,0]=2 14180 B12R0.5 CCOCCSCCCCCCF 62a_100000210147_100015922095 [0,2,0,0,0,0|1,0,1]=4 14181 B12R0.5 CCOCCSCCCCCCF 62a_100015922095_100011215890 [0,2,0,0,0,0|1,0,1]=4 14182 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [0,2,0,0,0,0|0,0,2]=4 14183 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [0,2,0,0,0,0|0,0,2]=4 14184 B12R0.5 CCOCSCCCCCCC#N 62a_100000739092_100009813337 [0,2,0,0,0,0|1,0,1]=4 14185 B12R0.5 CCOCSCCCCCCC#N 62a_100009813337_100000739092 [0,2,0,0,0,0|1,0,1]=4 14186 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [0,2,0,0,0,0|0,0,2]=4 14187 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [0,2,0,0,0,0|0,0,2]=4 14188 B12R0.5 CCOCSCCCCCCOC 62a_100000739092_100011998445 [0,2,0,0,0,0|2,0,0]=4 14189 B12R0.5 CCOCSCCCCCCOC 62a_100011998445_100000739092 [0,2,0,0,0,0|2,0,0]=4 14190 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [0,2,0,0,0,0|0,0,2]=4 14191 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [0,2,0,0,0,0|0,0,2]=4 14192 B12R0.5 CCSCCCOCCCCC#N 7a_100011216438_100000211819 [0,2,0,0,0,0|1,0,1]=4 14193 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [0,2,0,0,0,0|0,0,0]=2 14194 B12R0.5 CCSCCCOCCCCCF 34a_100011216438_100000729378 [0,2,0,0,0,0|1,0,1]=4 14195 B12R0.5 CCSCCCOCCCCCF 7a_100011216438_100000729378 [0,2,0,0,0,0|1,0,1]=4 14196 B12R0.5 CCSCCCOCCCCCO 34a_100011216438_100000746330 [0,2,0,0,0,0|0,0,2]=4 14197 B12R0.5 CCSCCCOCCCCCO 7a_100011216438_100000746330 [0,2,0,0,0,0|0,0,2]=4 14198 B12R0.5 CCSCCCOCCCCOC 34a_100011216438_100000755781 [0,2,0,0,0,0|2,0,0]=4 14199 B12R0.5 CCSCCCOCCCCOC 7a_100011216438_100000730899 [0,2,0,0,0,0|2,0,0]=4 14200 B12R0.5 CCSCCNCCCCCC#N 2230a_100000106463_100009813376 [0,2,0,0,0,0|1,0,1]=4 14201 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [0,2,0,0,0,0|0,0,0]=2 14202 B12R0.5 CCSCCNCCCCCCF 2230a_100000106463_100015922095 [0,2,0,0,0,0|1,0,1]=4 14203 B12R0.5 CCSCCNCCCCCCO 2230a_100000106463_100000766143 [0,2,0,0,0,0|0,0,2]=4 14204 B12R0.5 CCSCCNCCCCCCO 2230a_100000686447_100000757381 [0,2,0,0,0,0|0,0,2]=4 14205 B12R0.5 CCSCCNCCCCCCO 34a_100000686447_100000757381 [0,2,0,0,0,0|0,0,2]=4 14206 B12R0.5 CCSCCNCCCCCOC 2230a_100000747528_100000757381 [0,2,0,0,0,0|2,0,0]=4 14207 B12R0.5 CCSCCNCCCCCOC 34a_100000747528_100000757381 [0,2,0,0,0,0|2,0,0]=4 14208 B12R0.5 CCSCCOCCCCCC#N 7a_100000212035_100009813376 [0,2,0,0,0,0|1,0,1]=4 14209 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [0,2,0,0,0,0|0,0,0]=2 14210 B12R0.5 CCSCCOCCCCCCBr 34a_100011215345_100000757381 [0,2,0,0,0,0|1,0,1]=4 14211 B12R0.5 CCSCCOCCCCCCBr 7a_100011215345_100000757381 [0,2,0,0,0,0|1,0,1]=4 14212 B12R0.5 CCSCCOCCCCCCCl 34a_100000766143_100000757381 [0,2,0,0,0,0|1,0,1]=4 14213 B12R0.5 CCSCCOCCCCCCCl 7a_100000766143_100000757381 [0,2,0,0,0,0|1,0,1]=4 14214 B12R0.5 CCSCCOCCCCCCF 34a_100000212035_100015922095 [0,2,0,0,0,0|1,0,1]=4 14215 B12R0.5 CCSCCOCCCCCCF 34a_100000732779_100000757381 [0,2,0,0,0,0|1,0,1]=4 14216 B12R0.5 CCSCCOCCCCCCF 7a_100000212035_100015922095 [0,2,0,0,0,0|1,0,1]=4 14217 B12R0.5 CCSCCOCCCCCCF 7a_100000732779_100000757381 [0,2,0,0,0,0|1,0,1]=4 14218 B12R0.5 CCSCCOCCCCCCN 34a_100000686447_100000757381 [0,2,0,0,0,0|1,0,1]=4 14219 B12R0.5 CCSCCOCCCCCCO 34a_100000212035_100000766143 [0,2,0,0,0,0|0,0,2]=4 14220 B12R0.5 CCSCCOCCCCCCO 7a_100000212035_100000766143 [0,2,0,0,0,0|0,0,2]=4 14221 B12R0.5 CCSCCOCCCCCNC 34a_100000722520_100000757381 [0,2,0,0,0,0|2,0,0]=4 14222 B12R0.5 CCSCCSCCCCCC#N 62a_100000757381_100009813376 [0,2,0,0,0,0|1,0,1]=4 14223 B12R0.5 CCSCCSCCCCCC#N 62a_100009813376_100000757381 [0,2,0,0,0,0|1,0,1]=4 14224 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [0,2,0,0,0,0|0,0,0]=2 14225 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [0,2,0,0,0,0|0,0,0]=2 14226 B12R0.5 CCSCCSCCCCCCF 62a_100000757381_100015922095 [0,2,0,0,0,0|1,0,1]=4 14227 B12R0.5 CCSCCSCCCCCCF 62a_100015922095_100000757381 [0,2,0,0,0,0|1,0,1]=4 14228 B12R0.5 CCSCCSCCCCCCO 62a_100000757381_100000766143 [0,2,0,0,0,0|0,0,2]=4 14229 B12R0.5 CCSCCSCCCCCCO 62a_100000766143_100000757381 [0,2,0,0,0,0|0,0,2]=4 14230 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [0,2,0,0,0,0|0,0,2]=4 14231 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [0,2,0,0,0,0|0,0,2]=4 14232 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [0,2,0,0,0,0|0,0,2]=4 14233 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [0,2,0,0,0,0|0,0,2]=4 14234 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [0,2,0,0,0,0|0,0,2]=4 14235 B12R0.5 CNCCCCCOCCCCF 34a_100000722520_100000729493 [0,2,0,0,0,0|1,0,1]=4 14236 B12R0.5 CNCCCCCOCCCCO 34a_100000722520_100011216708 [0,2,0,0,0,0|0,0,2]=4 14237 B12R0.5 CNCCCCCOCCCOC 34a_100000722520_100000740836 [0,2,0,0,0,0|2,0,0]=4 14238 B12R0.5 CNCCCOCCCCCCF 34a_100000213112_100015922095 [0,2,0,0,0,0|1,0,1]=4 14239 B12R0.5 CNCCCOCCCCCCO 34a_100000213112_100000766143 [0,2,0,0,0,0|0,0,2]=4 14240 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [0,2,0,0,0,0|0,0,2]=4 14241 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [0,2,0,0,0,0|0,0,2]=4 14242 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [0,2,0,0,0,0|0,0,2]=4 14243 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [0,2,0,0,0,0|0,0,2]=4 14244 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [0,2,0,0,0,0|0,0,2]=4 14245 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [0,2,0,0,0,0|0,0,2]=4 14246 B12R0.5 COCCCCCCNCCCF 2230a_100015189416_100011998445 [0,2,0,0,0,0|1,0,1]=4 14247 B12R0.5 COCCCCCCNCCCF 34a_100015189416_100011998445 [0,2,0,0,0,0|1,0,1]=4 14248 B12R0.5 COCCCCCCNCCOC 2230a_100000209980_100011998445 [0,2,0,0,0,0|2,0,0]=4 14249 B12R0.5 COCCCCCCNCCSC 2230a_100020590264_100011998445 [0,2,0,0,0,0|2,0,0]=4 14250 B12R0.5 COCCCCCCOCCC#N 7a_200012092642_100000184422 [0,2,0,0,0,0|1,0,1]=4 14251 B12R0.5 COCCCCCCOCCCBr 34a_100011217188_100011998445 [0,2,0,0,0,0|1,0,1]=4 14252 B12R0.5 COCCCCCCOCCCCl 34a_100000230001_100011998445 [0,2,0,0,0,0|1,0,1]=4 14253 B12R0.5 COCCCCCCOCCCF 34a_100000759539_100011998445 [0,2,0,0,0,0|1,0,1]=4 14254 B12R0.5 COCCCCCCOCCCF 34a_200012092642_100011934791 [0,2,0,0,0,0|1,0,1]=4 14255 B12R0.5 COCCCCCCOCCCF 7a_200012092642_100011934791 [0,2,0,0,0,0|1,0,1]=4 14256 B12R0.5 COCCCCCCOCCCN 34a_100000182051_100011998445 [0,2,0,0,0,0|1,0,1]=4 14257 B12R0.5 COCCCCCCOCCCO 34a_200012092642_100000230001 [0,2,0,0,0,0|0,0,2]=4 14258 B12R0.5 COCCCCCCOCCCO 7a_200012092642_100011215043 [0,2,0,0,0,0|0,0,2]=4 14259 B12R0.5 COCCCCCCOCCOC 34a_100000210237_100011998445 [0,2,0,0,0,0|2,0,0]=4 14260 B12R0.5 COCCCCCCOCCOC 34a_200012092642_100011201679 [0,2,0,0,0,0|2,0,0]=4 14261 B12R0.5 COCCCCCCOCCOC 7a_200012092642_100000233755 [0,2,0,0,0,0|2,0,0]=4 14262 B12R0.5 COCCCCCCOCCON 34a_100000700252_100011998445 [0,2,0,0,0,0|2,0,0]=4 14263 B12R0.5 COCCCCCCOCCSC 34a_100000230434_100011998445 [0,2,0,0,0,0|2,0,0]=4 14264 B12R0.5 COCCCCCCOCCSC 34a_200012092642_100000212216 [0,2,0,0,0,0|2,0,0]=4 14265 B12R0.5 COCCCCCCOCCSC 7a_100000230434_100011998445 [0,2,0,0,0,0|2,0,0]=4 14266 B12R0.5 COCCCCCCOCCSC 7a_200012092642_100000212216 [0,2,0,0,0,0|2,0,0]=4 14267 B12R0.5 COCCCCCCSCCC#N 62a_100011215226_100011998445 [0,2,0,0,0,0|1,0,1]=4 14268 B12R0.5 COCCCCCCSCCC#N 62a_100011998445_100011215226 [0,2,0,0,0,0|1,0,1]=4 14269 B12R0.5 COCCCCCCSCCCF 62a_100011934791_100011998445 [0,2,0,0,0,0|1,0,1]=4 14270 B12R0.5 COCCCCCCSCCCF 62a_100011998445_100011934791 [0,2,0,0,0,0|1,0,1]=4 14271 B12R0.5 COCCCCCCSCCCO 62a_100011215043_100011998445 [0,2,0,0,0,0|0,0,2]=4 14272 B12R0.5 COCCCCCCSCCCO 62a_100011998445_100011215043 [0,2,0,0,0,0|0,0,2]=4 14273 B12R0.5 COCCCCCCSCCOC 62a_100000233755_100011998445 [0,2,0,0,0,0|2,0,0]=4 14274 B12R0.5 COCCCCCCSCCOC 62a_100011998445_100000233755 [0,2,0,0,0,0|2,0,0]=4 14275 B12R0.5 COCCCCCCSCCSC 62a_100000212216_100011998445 [0,2,0,0,0,0|2,0,0]=4 14276 B12R0.5 COCCCCCCSCCSC 62a_100011998445_100000751147 [0,2,0,0,0,0|2,0,0]=4 14277 B12R0.5 COCCCCCNCCCC#N 2230a_100000747528_100000687738 [0,2,0,0,0,0|1,0,1]=4 14278 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [0,2,0,0,0,0|0,0,0]=2 14279 B12R0.5 COCCCCCNCCCCF 2230a_100000747528_100000729493 [0,2,0,0,0,0|1,0,1]=4 14280 B12R0.5 COCCCCCNCCCCF 34a_100000747528_100000729493 [0,2,0,0,0,0|1,0,1]=4 14281 B12R0.5 COCCCCCNCCCCO 2230a_100000747528_100000210776 [0,2,0,0,0,0|0,0,2]=4 14282 B12R0.5 COCCCCCNCCCCO 34a_100000747528_100011216708 [0,2,0,0,0,0|0,0,2]=4 14283 B12R0.5 COCCCCCNCCCOC 2230a_100000747528_100000740836 [0,2,0,0,0,0|2,0,0]=4 14284 B12R0.5 COCCCCCNCCCOC 34a_100000747528_100000740836 [0,2,0,0,0,0|2,0,0]=4 14285 B12R0.5 COCCCCNCCCCCO 2230a_100000762737_100000730899 [0,2,0,0,0,0|0,0,2]=4 14286 B12R0.5 COCCCCNCCCCCO 34a_100000762737_100000755781 [0,2,0,0,0,0|0,0,2]=4 14287 B12R0.5 COCCCCOCCCCCBr 34a_100000746331_100000755781 [0,2,0,0,0,0|1,0,1]=4 14288 B12R0.5 COCCCCOCCCCCBr 7a_100000746331_100000730899 [0,2,0,0,0,0|1,0,1]=4 14289 B12R0.5 COCCCCOCCCCCCl 34a_100000746330_100000755781 [0,2,0,0,0,0|1,0,1]=4 14290 B12R0.5 COCCCCOCCCCCCl 7a_100000746330_100000730899 [0,2,0,0,0,0|1,0,1]=4 14291 B12R0.5 COCCCCOCCCCCF 34a_100000740925_100000729378 [0,2,0,0,0,0|1,0,1]=4 14292 B12R0.5 COCCCCOCCCCCI 34a_200012148887_100000755781 [0,2,0,0,0,0|1,0,1]=4 14293 B12R0.5 COCCCCOCCCCCI 7a_200012148887_100000730899 [0,2,0,0,0,0|1,0,1]=4 14294 B12R0.5 COCCCCOCCCCCN 34a_100000762737_100000755781 [0,2,0,0,0,0|1,0,1]=4 14295 B12R0.5 COCCCCOCCCCCO 34a_100000740925_100000746330 [0,2,0,0,0,0|0,0,2]=4 14296 B12R0.5 COCCCCOCCCCOC 34a_100000740925_100000755781 [0,2,0,0,0,0|2,0,0]=4 14297 B12R0.5 COCCCCOCCCCSC 34a_100011217163_100000755781 [0,2,0,0,0,0|2,0,0]=4 14298 B12R0.5 COCCCCOCCCCSC 7a_100011217163_100000730899 [0,2,0,0,0,0|2,0,0]=4 14299 B12R0.5 COCCCCSCCCCC#N 62a_100000730899_100000211819 [0,2,0,0,0,0|1,0,1]=4 14300 B12R0.5 COCCCCSCCCCC#N 62a_100011219923_100000730899 [0,2,0,0,0,0|1,0,1]=4 14301 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [0,2,0,0,0,0|0,0,0]=2 14302 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [0,2,0,0,0,0|0,0,0]=2 14303 B12R0.5 COCCCCSCCCCCF 62a_100000729378_100000730899 [0,2,0,0,0,0|1,0,1]=4 14304 B12R0.5 COCCCCSCCCCCF 62a_100000730899_100000729378 [0,2,0,0,0,0|1,0,1]=4 14305 B12R0.5 COCCCCSCCCCCO 62a_100000730899_100000746330 [0,2,0,0,0,0|0,0,2]=4 14306 B12R0.5 COCCCCSCCCCCO 62a_100000746330_100000730899 [0,2,0,0,0,0|0,0,2]=4 14307 B12R0.5 COCCCCSCCCCOC 62a_100000730899_100000730899 [0,2,0,0,0,0|2,0,0]=4 14308 B12R0.5 COCCCNCCCCCCF 34a_100150723488_100015922095 [0,2,0,0,0,0|1,0,1]=4 14309 B12R0.5 COCCCNCCCCCCO 2230a_100000686447_100000740836 [0,2,0,0,0,0|0,0,2]=4 14310 B12R0.5 COCCCNCCCCCCO 34a_100000686447_100000740836 [0,2,0,0,0,0|0,0,2]=4 14311 B12R0.5 COCCCNCCCCCCO 34a_100150723488_100000766143 [0,2,0,0,0,0|0,0,2]=4 14312 B12R0.5 COCCCOCCCCCCBr 34a_100011215345_100000740836 [0,2,0,0,0,0|1,0,1]=4 14313 B12R0.5 COCCCOCCCCCCBr 7a_100011215345_100000740836 [0,2,0,0,0,0|1,0,1]=4 14314 B12R0.5 COCCCOCCCCCCCl 34a_100000766143_100000740836 [0,2,0,0,0,0|1,0,1]=4 14315 B12R0.5 COCCCOCCCCCCCl 7a_100000766143_100000740836 [0,2,0,0,0,0|1,0,1]=4 14316 B12R0.5 COCCCOCCCCCCF 34a_100000732779_100000740836 [0,2,0,0,0,0|1,0,1]=4 14317 B12R0.5 COCCCOCCCCCCF 34a_100000740835_100015922095 [0,2,0,0,0,0|1,0,1]=4 14318 B12R0.5 COCCCOCCCCCCF 7a_100000732779_100000740836 [0,2,0,0,0,0|1,0,1]=4 14319 B12R0.5 COCCCOCCCCCCN 34a_100000686447_100000740836 [0,2,0,0,0,0|1,0,1]=4 14320 B12R0.5 COCCCOCCCCCCO 34a_100000740835_100000766143 [0,2,0,0,0,0|0,0,2]=4 14321 B12R0.5 COCCCOCCCOCC=O 34a_200011215475_200009817547 [0,2,0,0,0,0|1,0,0]=3 14322 B12R0.5 COCCCOCCCOCC=O 7a_200011215475_200015260668 [0,2,0,0,0,0|1,0,0]=3 14323 B12R0.5 COCCCSCCCCCC#N 62a_100000709357_100009813376 [0,2,0,0,0,0|1,0,1]=4 14324 B12R0.5 COCCCSCCCCCC#N 62a_100009813376_100000709357 [0,2,0,0,0,0|1,0,1]=4 14325 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [0,2,0,0,0,0|0,0,0]=2 14326 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [0,2,0,0,0,0|0,0,0]=2 14327 B12R0.5 COCCCSCCCCCCF 62a_100000709357_100015922095 [0,2,0,0,0,0|1,0,1]=4 14328 B12R0.5 COCCCSCCCCCCF 62a_100015922095_100000709357 [0,2,0,0,0,0|1,0,1]=4 14329 B12R0.5 COCCCSCCCCCCO 62a_100000709357_100000766143 [0,2,0,0,0,0|0,0,2]=4 14330 B12R0.5 COCCCSCCCCCCO 62a_100000766143_100000709357 [0,2,0,0,0,0|0,0,2]=4 14331 B12R0.5 COCCNCCCCCCC#N 2230a_100000209980_100009813337 [0,2,0,0,0,0|1,0,1]=4 14332 B12R0.5 COCCNCCCCCCCO 2230a_100000209980_100000760002 [0,2,0,0,0,0|0,0,2]=4 14333 B12R0.5 COCCNCCCCCCCO 2230a_100011996573_100011201679 [0,2,0,0,0,0|0,0,2]=4 14334 B12R0.5 COCCNCCCCCCCO 34a_100011996573_100011201679 [0,2,0,0,0,0|0,0,2]=4 14335 B12R0.5 COCCOCCCCCCCBr 34a_100000760002_100011201679 [0,2,0,0,0,0|1,0,1]=4 14336 B12R0.5 COCCOCCCCCCCBr 7a_100000760002_100000233755 [0,2,0,0,0,0|1,0,1]=4 14337 B12R0.5 COCCOCCCCCCCN 34a_100011996573_100011201679 [0,2,0,0,0,0|1,0,1]=4 14338 B12R0.5 COCCOCCCCCCCO 34a_100000210237_100000760002 [0,2,0,0,0,0|0,0,2]=4 14339 B12R0.5 COCCOCCNCCCC=O 2230a_100000745349_200011292268 [0,2,0,0,0,0|1,0,0]=3 14340 B12R0.5 COCCOCCOCCCC=O 7a_100011215163_200011292268 [0,2,0,0,0,0|1,0,0]=3 14341 B12R0.5 COCCOCCSCCCC=O 62a_100000695917_200011292268 [0,2,0,0,0,0|1,0,0]=3 14342 B12R0.5 COCCOCCSCCCC=O 62a_200011292268_100000695917 [0,2,0,0,0,0|1,0,0]=3 14343 B12R0.5 COCCOCSCCCCC=O 62a_100000139335_100000231047 [0,2,0,0,0,0|1,0,0]=3 14344 B12R0.5 COCCOCSCCCCC=O 62a_100000231047_100000139335 [0,2,0,0,0,0|1,0,0]=3 14345 B12R0.5 COCCSCCCCCCC#N 62a_100000233755_100009813337 [0,2,0,0,0,0|1,0,1]=4 14346 B12R0.5 COCCSCCCCCCC#N 62a_100009813337_100000233755 [0,2,0,0,0,0|1,0,1]=4 14347 B12R0.5 COCCSCCCCCCCO 62a_100000233755_100000760002 [0,2,0,0,0,0|0,0,2]=4 14348 B12R0.5 COCCSCCCCCCCO 62a_100000760002_100000233755 [0,2,0,0,0,0|0,0,2]=4 14349 B12R0.5 COCNCCCCCCCCO 2230a_102515433106_100000766300 [0,2,0,0,0,0|0,0,2]=4 14350 B12R0.5 COCSCCCCCCCCO 62a_100000033203_100000766300 [0,2,0,0,0,0|0,0,2]=4 14351 B12R0.5 COCSCCCCCCCCO 62a_100000766300_100000033203 [0,2,0,0,0,0|0,0,2]=4 14352 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [0,2,0,0,0,0|0,0,2]=4 14353 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [0,2,0,0,0,0|0,0,2]=4 14354 B12R0.5 CSCCCCOCCCCC#N 7a_100011217163_100000211819 [0,2,0,0,0,0|1,0,1]=4 14355 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [0,2,0,0,0,0|0,0,0]=2 14356 B12R0.5 CSCCCCOCCCCCF 34a_100011217163_100000729378 [0,2,0,0,0,0|1,0,1]=4 14357 B12R0.5 CSCCCCOCCCCCF 7a_100011217163_100000729378 [0,2,0,0,0,0|1,0,1]=4 14358 B12R0.5 CSCCCCOCCCCCO 34a_100011217163_100000746330 [0,2,0,0,0,0|0,0,2]=4 14359 B12R0.5 CSCCCCOCCCCCO 7a_100011217163_100000746330 [0,2,0,0,0,0|0,0,2]=4 14360 B12R0.5 CSCCCNCCCCCC#N 2230a_100000749238_100009813376 [0,2,0,0,0,0|1,0,1]=4 14361 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [0,2,0,0,0,0|0,0,0]=2 14362 B12R0.5 CSCCCNCCCCCCF 2230a_100000749238_100015922095 [0,2,0,0,0,0|1,0,1]=4 14363 B12R0.5 CSCCCNCCCCCCO 2230a_100000749238_100000766143 [0,2,0,0,0,0|0,0,2]=4 14364 B12R0.5 CSCCCOCCCCCC#N 7a_100000690336_100009813376 [0,2,0,0,0,0|1,0,1]=4 14365 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [0,2,0,0,0,0|0,0,0]=2 14366 B12R0.5 CSCCCOCCCCCCF 34a_100000690336_100015922095 [0,2,0,0,0,0|1,0,1]=4 14367 B12R0.5 CSCCCOCCCCCCF 7a_100000690336_100015922095 [0,2,0,0,0,0|1,0,1]=4 14368 B12R0.5 CSCCCOCCCCCCO 34a_100000690336_100000766143 [0,2,0,0,0,0|0,0,2]=4 14369 B12R0.5 CSCCCOCCCCCCO 7a_100000690336_100000766143 [0,2,0,0,0,0|0,0,2]=4 14370 B12R0.5 CSCCNCCCCCCC#N 2230a_100020590264_100009813337 [0,2,0,0,0,0|1,0,1]=4 14371 B12R0.5 CSCCNCCCCCCCO 2230a_100011996573_100000751147 [0,2,0,0,0,0|0,0,2]=4 14372 B12R0.5 CSCCNCCCCCCCO 2230a_100020590264_100000760002 [0,2,0,0,0,0|0,0,2]=4 14373 B12R0.5 CSCCNCCCCCCCO 34a_100011996573_100000212216 [0,2,0,0,0,0|0,0,2]=4 14374 B12R0.5 CSCCOCCCCCCC#N 7a_100000230434_100009813337 [0,2,0,0,0,0|1,0,1]=4 14375 B12R0.5 CSCCOCCCCCCCBr 34a_100000760002_100000212216 [0,2,0,0,0,0|1,0,1]=4 14376 B12R0.5 CSCCOCCCCCCCBr 7a_100000760002_100000212216 [0,2,0,0,0,0|1,0,1]=4 14377 B12R0.5 CSCCOCCCCCCCN 34a_100011996573_100000212216 [0,2,0,0,0,0|1,0,1]=4 14378 B12R0.5 CSCCOCCCCCCCO 34a_100000230434_100000760002 [0,2,0,0,0,0|0,0,2]=4 14379 B12R0.5 CSCCOCCCCCCCO 7a_100000230434_100000760002 [0,2,0,0,0,0|0,0,2]=4 14380 B12R0.5 CSCCSCCCCCCC#N 62a_100000212216_100009813337 [0,2,0,0,0,0|1,0,1]=4 14381 B12R0.5 CSCCSCCCCCCC#N 62a_100009813337_100000751147 [0,2,0,0,0,0|1,0,1]=4 14382 B12R0.5 CSCCSCCCCCCCO 62a_100000212216_100000760002 [0,2,0,0,0,0|0,0,2]=4 14383 B12R0.5 CSCCSCCCCCCCO 62a_100000760002_100000751147 [0,2,0,0,0,0|0,0,2]=4 14384 B12R0.5 CSCNCCCCCCCCO 2230a_102515433106_100011218213 [0,2,0,0,0,0|0,0,2]=4 14385 B12R0.5 CSCNCCCCCCCCO 34a_102515433106_100011218213 [0,2,0,0,0,0|0,0,2]=4 14386 B12R0.5 CSCOCCCCCCCCBr 34a_100009813846_100011218213 [0,2,0,0,0,0|1,0,1]=4 14387 B12R0.5 CSCOCCCCCCCCCl 34a_100000033203_100011218213 [0,2,0,0,0,0|1,0,1]=4 14388 B12R0.5 CSCOCCCCCCCCN 34a_102515433106_100011218213 [0,2,0,0,0,0|1,0,1]=4 14389 B12R0.5 CSCSCCCCCCCCO 62a_100000033203_100011218213 [0,2,0,0,0,0|0,0,2]=4 14390 B12R0.5 CSCSCCCCCCCCO 62a_100011218213_100000033203 [0,2,0,0,0,0|0,0,2]=4 14391 B12R0.5 FCCCCCCOCCCCBr 34a_100011216708_100015922095 [0,2,0,0,0,0|1,0,1]=4 14392 B12R0.5 FCCCCCCOCCCCCl 34a_100000210776_100015922095 [0,2,0,0,0,0|1,0,1]=4 14393 B12R0.5 FCCCCCCOCCCCCl 7a_100000210776_100015922095 [0,2,0,0,0,0|1,0,1]=4 14394 B12R0.5 FCCCCCCOCCCCF 34a_100000732779_100000729493 [0,2,0,0,0,0|1,0,1]=4 14395 B12R0.5 FCCCCCCOCCCCF 34a_100011995726_100015922095 [0,2,0,0,0,0|1,0,1]=4 14396 B12R0.5 FCCCCCCOCCCCF 7a_100000732779_100000729493 [0,2,0,0,0,0|1,0,1]=4 14397 B12R0.5 FCCCCCCOCCCCF 7a_100011995726_100015922095 [0,2,0,0,0,0|1,0,1]=4 14398 B12R0.5 FCCCCCCOCCCCI 34a_200012148704_100015922095 [0,2,0,0,0,0|1,0,1]=4 14399 B12R0.5 FCCCCCCSCCCCF 62a_100000729493_100015922095 [0,2,0,0,0,0|1,0,1]=4 14400 B12R0.5 FCCCCCCSCCCCF 62a_100015922095_100000729493 [0,2,0,0,0,0|1,0,1]=4 14401 B12R0.5 FCCCCCOCCCCCBr 34a_100000746331_100000729378 [0,2,0,0,0,0|1,0,1]=4 14402 B12R0.5 FCCCCCOCCCCCBr 7a_100000746331_100000729378 [0,2,0,0,0,0|1,0,1]=4 14403 B12R0.5 FCCCCCOCCCCCCl 34a_100000746330_100000729378 [0,2,0,0,0,0|1,0,1]=4 14404 B12R0.5 FCCCCCOCCCCCCl 7a_100000746330_100000729378 [0,2,0,0,0,0|1,0,1]=4 14405 B12R0.5 FCCCCCOCCCCCI 34a_200012148887_100000729378 [0,2,0,0,0,0|1,0,1]=4 14406 B12R0.5 FCCCCCOCCCCCI 7a_200012148887_100000729378 [0,2,0,0,0,0|1,0,1]=4 14407 B12R0.5 FCCCCCSCCCCCF 62a_100000729378_100000729378 [0,2,0,0,0,0|1,0,1]=4 14408 B12R0.5 FCCCCOCCCCCCBr 34a_100011215345_100000729493 [0,2,0,0,0,0|1,0,1]=4 14409 B12R0.5 FCCCCOCCCCCCBr 7a_100011215345_100000729493 [0,2,0,0,0,0|1,0,1]=4 14410 B12R0.5 FCCCCOCCCCCCCl 34a_100000766143_100000729493 [0,2,0,0,0,0|1,0,1]=4 14411 B12R0.5 FCCCCOCCCCCCCl 7a_100000766143_100000729493 [0,2,0,0,0,0|1,0,1]=4 14412 B12R0.5 FCCCOCCCCCCCBr 34a_100000760002_100011934791 [0,2,0,0,0,0|1,0,1]=4 14413 B12R0.5 FCCCOCCCCCCCBr 7a_100000760002_100011934791 [0,2,0,0,0,0|1,0,1]=4 14414 B12R0.5 FCCOCCCCCCCCBr 34a_100009813846_100011217306 [0,2,0,0,0,0|1,0,1]=4 14415 B12R0.5 FCCOCCCCCCCCBr 7a_100009813846_100011217306 [0,2,0,0,0,0|1,0,1]=4 14416 B12R0.5 FCCOCCCCCCCCCl 34a_100000033203_100011217306 [0,2,0,0,0,0|1,0,1]=4 14417 B12R0.5 FCCOCCCCCCCCCl 7a_100000033203_100011217306 [0,2,0,0,0,0|1,0,1]=4 14418 B12R0.5 FCOCCCCCCCCCBr 34a_100009813782_100015361967 [0,2,0,0,0,0|1,0,1]=4 14419 B12R0.5 FCOCCCCCCCCCBr 7a_100009813782_100015361967 [0,2,0,0,0,0|1,0,1]=4 14420 B12R0.5 FCOCCCCCCCCCCl 34a_100009868337_100015361967 [0,2,0,0,0,0|1,0,1]=4 14421 B12R0.5 FCOCCCCCCCCCCl 7a_100009868337_100015361967 [0,2,0,0,0,0|1,0,1]=4 14422 B12R0.5 N#CCCCCCCNCCCF 2230a_100015189416_100009813337 [0,2,0,0,0,0|1,0,1]=4 14423 B12R0.5 N#CCCCCCCSCCCF 62a_100009813337_100011934791 [0,2,0,0,0,0|1,0,1]=4 14424 B12R0.5 N#CCCCCCCSCCCF 62a_100011934791_100009813337 [0,2,0,0,0,0|1,0,1]=4 14425 B12R0.5 N#CCCCCCCSCCCO 62a_100009813337_100011215043 [0,2,0,0,0,0|1,0,1]=4 14426 B12R0.5 N#CCCCCCCSCCCO 62a_100011215043_100009813337 [0,2,0,0,0,0|1,0,1]=4 14427 B12R0.5 N#CCCCCCNCCCCO 2230a_100000750430_100009813376 [0,2,0,0,0,0|1,0,1]=4 14428 B12R0.5 N#CCCCCCOCCCCCl 7a_100000210776_100009813376 [0,2,0,0,0,0|1,0,1]=4 14429 B12R0.5 N#CCCCCCOCCCCF 7a_100011995726_100009813376 [0,2,0,0,0,0|1,0,1]=4 14430 B12R0.5 N#CCCCCCSCCCC=O 62a_100009813376_200011292268 [0,2,0,0,0,0|0,0,1]=3 14431 B12R0.5 N#CCCCCCSCCCC=O 62a_200011292268_100009813376 [0,2,0,0,0,0|0,0,1]=3 14432 B12R0.5 N#CCCCCCSCCCCF 62a_100000729493_100009813376 [0,2,0,0,0,0|1,0,1]=4 14433 B12R0.5 N#CCCCCCSCCCCF 62a_100009813376_100000729493 [0,2,0,0,0,0|1,0,1]=4 14434 B12R0.5 N#CCCCCCSCCCCO 62a_100000210776_100009813376 [0,2,0,0,0,0|1,0,1]=4 14435 B12R0.5 N#CCCCCCSCCCCO 62a_100009813376_100000210776 [0,2,0,0,0,0|1,0,1]=4 14436 B12R0.5 N#CCCCCNCCCCCO 2230a_100000762737_100000211819 [0,2,0,0,0,0|1,0,1]=4 14437 B12R0.5 N#CCCCCOCCCCCBr 7a_100000746331_100000211819 [0,2,0,0,0,0|1,0,1]=4 14438 B12R0.5 N#CCCCCOCCCCCCl 7a_100000746330_100000211819 [0,2,0,0,0,0|1,0,1]=4 14439 B12R0.5 N#CCCCCOCCCCCI 7a_200012148887_100000211819 [0,2,0,0,0,0|1,0,1]=4 14440 B12R0.5 N#CCCCCSCCCCC=O 62a_100000139335_100000211819 [0,2,0,0,0,0|0,0,1]=3 14441 B12R0.5 N#CCCCCSCCCCC=O 62a_100011219923_100000139335 [0,2,0,0,0,0|0,0,1]=3 14442 B12R0.5 N#CCCCCSCCCCCF 62a_100000729378_100000211819 [0,2,0,0,0,0|1,0,1]=4 14443 B12R0.5 N#CCCCCSCCCCCF 62a_100011219923_100000729378 [0,2,0,0,0,0|1,0,1]=4 14444 B12R0.5 N#CCCCCSCCCCCO 62a_100000746330_100000211819 [0,2,0,0,0,0|1,0,1]=4 14445 B12R0.5 N#CCCCCSCCCCCO 62a_100011219923_100000746330 [0,2,0,0,0,0|1,0,1]=4 14446 B12R0.5 N#CCCCNCCCCCCO 2230a_100000686447_100000687738 [0,2,0,0,0,0|1,0,1]=4 14447 B12R0.5 N#CCCCOCCCCCCBr 7a_100011215345_100000687738 [0,2,0,0,0,0|1,0,1]=4 14448 B12R0.5 N#CCCCOCCCCCCCl 7a_100000766143_100000687738 [0,2,0,0,0,0|1,0,1]=4 14449 B12R0.5 N#CCCCOCCCCCCF 7a_100000732779_100000687738 [0,2,0,0,0,0|1,0,1]=4 14450 B12R0.5 N#CCCCSCCCCCC=O 62a_100000139337_100000687738 [0,2,0,0,0,0|0,0,1]=3 14451 B12R0.5 N#CCCCSCCCCCC=O 62a_100000687738_100000139337 [0,2,0,0,0,0|0,0,1]=3 14452 B12R0.5 N#CCCCSCCCCCCF 62a_100000687738_100015922095 [0,2,0,0,0,0|1,0,1]=4 14453 B12R0.5 N#CCCCSCCCCCCF 62a_100015922095_100000687738 [0,2,0,0,0,0|1,0,1]=4 14454 B12R0.5 N#CCCCSCCCCCCO 62a_100000687738_100000766143 [0,2,0,0,0,0|1,0,1]=4 14455 B12R0.5 N#CCCCSCCCCCCO 62a_100000766143_100000687738 [0,2,0,0,0,0|1,0,1]=4 14456 B12R0.5 N#CCCNCCCCCCCO 2230a_100011996573_100011215226 [0,2,0,0,0,0|1,0,1]=4 14457 B12R0.5 N#CCCOCCCCCCCBr 7a_100000760002_100000184422 [0,2,0,0,0,0|1,0,1]=4 14458 B12R0.5 N#CCCSCCCCCCCO 62a_100000760002_100011215226 [0,2,0,0,0,0|1,0,1]=4 14459 B12R0.5 N#CCCSCCCCCCCO 62a_100011215226_100000760002 [0,2,0,0,0,0|1,0,1]=4 14460 B12R0.5 N#CCNCCCCCCCCO 2230a_102515433106_100011215382 [0,2,0,0,0,0|1,0,1]=4 14461 B12R0.5 N#CCOCCCCCCCCBr 7a_100009813846_100011215382 [0,2,0,0,0,0|1,0,1]=4 14462 B12R0.5 N#CCOCCCCCCCCCl 7a_100000033203_100011215382 [0,2,0,0,0,0|1,0,1]=4 14463 B12R0.5 N#CCOCCSCCCCC=O 62a_100000139335_200000047693 [0,2,0,0,0,0|1,0,1]=4 14464 B12R0.5 N#CCOCCSCCCCC=O 62a_200000047693_100000139335 [0,2,0,0,0,0|1,0,1]=4 14465 B12R0.5 N#CCSCCCCCCCCO 62a_100000033203_100011215382 [0,2,0,0,0,0|1,0,1]=4 14466 B12R0.5 N#CCSCCCCCCCCO 62a_100011215382_100000033203 [0,2,0,0,0,0|1,0,1]=4 14467 B12R0.5 N#CSCCSCCCCCC=O 62a_100000034367_100000139337 [0,2,0,0,0,0|1,0,1]=4 14468 B12R0.5 N#CSCCSCCCCCC=O 62a_100000139337_100000034367 [0,2,0,0,0,0|1,0,1]=4 14469 B12R0.5 NCCCCCCCCCOCF 34a_100000078944_100015361967 [0,2,0,0,0,0|1,0,1]=4 14470 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [0,2,0,0,0,0|0,0,0]=2 14471 B12R0.5 NCCCCCCCCOCCF 34a_102515433106_100011217306 [0,2,0,0,0,0|1,0,1]=4 14472 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [0,2,0,0,0,0|0,0,2]=4 14473 B12R0.5 NCCCCCCCOCCCF 34a_100011996573_100011934791 [0,2,0,0,0,0|1,0,1]=4 14474 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [0,2,0,0,0,0|0,0,2]=4 14475 B12R0.5 NCCCCCCOCCCCF 34a_100000686447_100000729493 [0,2,0,0,0,0|1,0,1]=4 14476 B12R0.5 NCCCCCCOCCCCO 34a_100000686447_100011216708 [0,2,0,0,0,0|0,0,2]=4 14477 B12R0.5 NCCCCCOCCCCCF 34a_100000762737_100000729378 [0,2,0,0,0,0|1,0,1]=4 14478 B12R0.5 NCCCCCOCCCCCO 34a_100000762737_100000746330 [0,2,0,0,0,0|0,0,2]=4 14479 B12R0.5 NCCCCOCCCCCCF 34a_100000750430_100015922095 [0,2,0,0,0,0|1,0,1]=4 14480 B12R0.5 NCCCCOCCCCCCO 34a_100000750430_100000766143 [0,2,0,0,0,0|0,0,2]=4 14481 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [0,2,0,0,0,0|0,0,2]=4 14482 B12R0.5 NCCNCCCCCOCC=O 34a_103619048469_200009817547 [0,2,0,0,0,0|1,0,0]=3 14483 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [0,2,0,0,0,0|0,0,2]=4 14484 B12R0.5 NCCOCCOCCOCC=O 34a_100011998139_200009817547 [0,2,0,0,0,0|2,0,0]=4 14485 B12R0.5 NOCCOCCCCCCCO 34a_100000700252_100000760002 [0,2,0,0,0,0|2,0,0]=4 14486 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [0,2,0,0,0,0|0,0,0]=2 14487 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [0,2,0,0,0,0|0,0,0]=2 14488 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [0,2,0,0,0,0|0,0,0]=2 14489 B12R0.5 O=CCCCCCSCC#CCO 62a_100000139337_200000047223 [0,2,0,0,0,0|0,0,2]=4 14490 B12R0.5 O=CCCCCCSCC#CCO 62a_200000047223_100000139337 [0,2,0,0,0,0|0,0,2]=4 14491 B12R0.5 O=CCCCCCSCCCC=O 62a_100000139337_200011292268 [0,2,0,0,0,0|0,0,1]=3 14492 B12R0.5 O=CCCCCCSCCCC=O 62a_200011292268_100000139337 [0,2,0,0,0,0|0,0,1]=3 14493 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [0,2,0,0,0,0|0,0,0]=2 14494 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [0,2,0,0,0,0|0,0,0]=2 14495 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [0,2,0,0,0,0|0,0,0]=2 14496 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [0,2,0,0,0,0|0,0,0]=2 14497 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [0,2,0,0,0,0|0,0,0]=2 14498 B12R0.5 O=CCCCCNCCOCCO 2230a_100000211614_100000139335 [0,2,0,0,0,0|1,0,0]=3 14499 B12R0.5 O=CCCCCNCCSCCO 2230a_100011219999_100000139335 [0,2,0,0,0,0|1,0,0]=3 14500 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [0,2,0,0,0,0|0,0,0]=2 14501 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [0,2,0,0,0,0|0,0,0]=2 14502 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [0,2,0,0,0,0|0,0,0]=2 14503 B12R0.5 O=CCCCCOCCOCCBr 7a_100000692535_100000139335 [0,2,0,0,0,0|1,0,0]=3 14504 B12R0.5 O=CCCCCOCCOCCCl 7a_100011215305_100000139335 [0,2,0,0,0,0|1,0,0]=3 14505 B12R0.5 O=CCCCCOCCOCCF 7a_200015357709_100000139335 [0,2,0,0,0,0|1,0,0]=3 14506 B12R0.5 O=CCCCCOCCOCCI 7a_100012149058_100000139335 [0,2,0,0,0,0|1,0,0]=3 14507 B12R0.5 O=CCCCCSCCCCC=O 62a_100000139335_100000139335 [0,2,0,0,0,0|0,0,1]=3 14508 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [0,2,0,0,0,0|0,0,0]=2 14509 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [0,2,0,0,0,0|0,0,0]=2 14510 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [0,2,0,0,0,0|0,0,0]=2 14511 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [0,2,0,0,0,0|0,0,0]=2 14512 B12R0.5 O=CCCCCSCCOCCO 62a_100000139335_100011215305 [0,2,0,0,0,0|1,0,0]=3 14513 B12R0.5 O=CCCCCSCCOCCO 62a_100011215305_100000139335 [0,2,0,0,0,0|1,0,0]=3 14514 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [0,2,0,0,0,0|0,0,0]=2 14515 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [0,2,0,0,0,0|0,0,0]=2 14516 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [0,2,0,0,0,0|0,0,0]=2 14517 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [0,2,0,0,0,0|0,0,0]=2 14518 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [0,2,0,0,0,0|0,0,0]=2 14519 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [0,2,0,0,0,0|0,0,0]=2 14520 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [0,2,0,0,0,0|0,0,0]=2 14521 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [0,2,0,0,0,0|0,0,0]=2 14522 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [0,2,0,0,0,0|0,0,0]=2 14523 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [0,2,0,0,0,0|0,0,0]=2 14524 B12R0.5 O=CCNCCOCCOCCO 2230a_100011998139_200015260668 [0,2,0,0,0,0|2,0,0]=4 14525 B12R0.5 O=CCNCCOCCOCCO 34a_100011998139_200009817547 [0,2,0,0,0,0|2,0,0]=4 14526 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [0,2,0,0,0,0|0,0,0]=2 14527 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [0,2,0,0,0,0|0,0,0]=2 14528 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [0,2,0,0,0,0|0,0,0]=2 14529 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [0,2,0,0,0,0|0,0,0]=2 14530 B12R0.5 O=CCOCCOCCOCCBr 34a_100010132937_200009817547 [0,2,0,0,0,0|2,0,0]=4 14531 B12R0.5 O=CCOCCOCCOCCBr 7a_100010132937_200015260668 [0,2,0,0,0,0|2,0,0]=4 14532 B12R0.5 O=CCOCCOCCOCCCl 34a_100000032323_200009817547 [0,2,0,0,0,0|2,0,0]=4 14533 B12R0.5 O=CCOCCOCCOCCCl 7a_100000032323_200015260668 [0,2,0,0,0,0|2,0,0]=4 14534 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [0,2,0,0,0,0|0,0,0]=2 14535 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [0,2,0,0,0,0|0,0,0]=2 14536 B12R0.5 O=CCSCCOCCOCCO 62a_100000032323_200015260668 [0,2,0,0,0,0|2,0,0]=4 14537 B12R0.5 O=CCSCCOCCOCCO 62a_200015260668_100000032323 [0,2,0,0,0,0|2,0,0]=4 14538 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [0,2,0,0,0,0|0,0,2]=4 14539 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [0,2,0,0,0,0|0,0,2]=4 14540 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [0,2,0,0,0,0|0,0,2]=4 14541 B12R0.5 OCCCCCCCCNCCF 2230a_102515433106_100011217306 [0,2,0,0,0,0|0,0,2]=4 14542 B12R0.5 OCCCCCCCCNCCF 34a_100000724931_100000033203 [0,2,0,0,0,0|0,0,2]=4 14543 B12R0.5 OCCCCCCCCNCCF 34a_102515433106_100011217306 [0,2,0,0,0,0|0,0,2]=4 14544 B12R0.5 OCCCCCCCCNCCO 2230a_100016997473_100000033203 [0,2,0,0,0,0|0,0,2]=4 14545 B12R0.5 OCCCCCCCCNCCO 2230a_102515433106_100000211926 [0,2,0,0,0,0|0,0,2]=4 14546 B12R0.5 OCCCCCCCCNCCO 34a_100016990907_100000033203 [0,2,0,0,0,0|0,0,2]=4 14547 B12R0.5 OCCCCCCCCNCCO 34a_102515433106_100000211926 [0,2,0,0,0,0|0,0,2]=4 14548 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [0,2,0,0,0,0|0,0,2]=4 14549 B12R0.5 OCCCCCCCCSCCF 62a_100000033203_100011217306 [0,2,0,0,0,0|0,0,2]=4 14550 B12R0.5 OCCCCCCCCSCCF 62a_100011217306_100000033203 [0,2,0,0,0,0|0,0,2]=4 14551 B12R0.5 OCCCCCCCCSCCO 62a_100000033203_100000211926 [0,2,0,0,0,0|0,0,2]=4 14552 B12R0.5 OCCCCCCCCSCCO 62a_100000211926_100000033203 [0,2,0,0,0,0|0,0,2]=4 14553 B12R0.5 OCCCCCCCNCCCF 2230a_100011996573_100011934791 [0,2,0,0,0,0|0,0,2]=4 14554 B12R0.5 OCCCCCCCNCCCF 2230a_100015189416_100000760002 [0,2,0,0,0,0|0,0,2]=4 14555 B12R0.5 OCCCCCCCNCCCF 34a_100011996573_100011934791 [0,2,0,0,0,0|0,0,2]=4 14556 B12R0.5 OCCCCCCCNCCCF 34a_100015189416_100000760002 [0,2,0,0,0,0|0,0,2]=4 14557 B12R0.5 OCCCCCCCNCCCO 2230a_100011996573_100000230001 [0,2,0,0,0,0|0,0,2]=4 14558 B12R0.5 OCCCCCCCNCCCO 34a_100011996573_100000230001 [0,2,0,0,0,0|0,0,2]=4 14559 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [0,2,0,0,0,0|0,0,2]=4 14560 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [0,2,0,0,0,0|0,0,2]=4 14561 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [0,2,0,0,0,0|0,0,2]=4 14562 B12R0.5 OCCCCCCCSCCCF 62a_100000760002_100011934791 [0,2,0,0,0,0|0,0,2]=4 14563 B12R0.5 OCCCCCCCSCCCF 62a_100011934791_100000760002 [0,2,0,0,0,0|0,0,2]=4 14564 B12R0.5 OCCCCCCCSCCCO 62a_100000760002_100011215043 [0,2,0,0,0,0|0,0,2]=4 14565 B12R0.5 OCCCCCCCSCCCO 62a_100011215043_100000760002 [0,2,0,0,0,0|0,0,2]=4 14566 B12R0.5 OCCCCCCNCCCCF 2230a_100000686447_100000729493 [0,2,0,0,0,0|0,0,2]=4 14567 B12R0.5 OCCCCCCNCCCCF 34a_100000686447_100000729493 [0,2,0,0,0,0|0,0,2]=4 14568 B12R0.5 OCCCCCCNCCCCO 2230a_100000686447_100000210776 [0,2,0,0,0,0|0,0,2]=4 14569 B12R0.5 OCCCCCCNCCCCO 2230a_100000750430_100000766143 [0,2,0,0,0,0|0,0,2]=4 14570 B12R0.5 OCCCCCCNCCCCO 34a_100000686447_100011216708 [0,2,0,0,0,0|0,0,2]=4 14571 B12R0.5 OCCCCCCNCCCCO 34a_100000750430_100000766143 [0,2,0,0,0,0|0,0,2]=4 14572 B12R0.5 OCCCCCCOCCCCBr 34a_100011216708_100000766143 [0,2,0,0,0,0|0,0,2]=4 14573 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [0,2,0,0,0,0|0,0,2]=4 14574 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [0,2,0,0,0,0|0,0,2]=4 14575 B12R0.5 OCCCCCCOCCCCF 34a_100011995726_100000766143 [0,2,0,0,0,0|0,0,2]=4 14576 B12R0.5 OCCCCCCOCCCCF 7a_100011995726_100000766143 [0,2,0,0,0,0|0,0,2]=4 14577 B12R0.5 OCCCCCCOCCCCI 34a_200012148704_100000766143 [0,2,0,0,0,0|0,0,2]=4 14578 B12R0.5 OCCCCCCSCCCCF 62a_100000729493_100000766143 [0,2,0,0,0,0|0,0,2]=4 14579 B12R0.5 OCCCCCCSCCCCF 62a_100000766143_100000729493 [0,2,0,0,0,0|0,0,2]=4 14580 B12R0.5 OCCCCCCSCCCCO 62a_100000210776_100000766143 [0,2,0,0,0,0|0,0,2]=4 14581 B12R0.5 OCCCCCCSCCCCO 62a_100000766143_100000210776 [0,2,0,0,0,0|0,0,2]=4 14582 B12R0.5 OCCCCCNCCCCCF 2230a_100000762737_100000729378 [0,2,0,0,0,0|0,0,2]=4 14583 B12R0.5 OCCCCCNCCCCCF 34a_100000762737_100000729378 [0,2,0,0,0,0|0,0,2]=4 14584 B12R0.5 OCCCCCNCCCCCO 2230a_100000762737_100000746330 [0,2,0,0,0,0|0,0,2]=4 14585 B12R0.5 OCCCCCNCCCCCO 34a_100000762737_100000746330 [0,2,0,0,0,0|0,0,2]=4 14586 B12R0.5 OCCCCCOCCCCCBr 34a_100000746331_100000746330 [0,2,0,0,0,0|0,0,2]=4 14587 B12R0.5 OCCCCCOCCCCCBr 7a_100000746331_100000746330 [0,2,0,0,0,0|0,0,2]=4 14588 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [0,2,0,0,0,0|0,0,2]=4 14589 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [0,2,0,0,0,0|0,0,2]=4 14590 B12R0.5 OCCCCCOCCCCCI 34a_200012148887_100000746330 [0,2,0,0,0,0|0,0,2]=4 14591 B12R0.5 OCCCCCOCCCCCI 7a_200012148887_100000746330 [0,2,0,0,0,0|0,0,2]=4 14592 B12R0.5 OCCCCCSCCCCCF 62a_100000729378_100000746330 [0,2,0,0,0,0|0,0,2]=4 14593 B12R0.5 OCCCCCSCCCCCF 62a_100000746330_100000729378 [0,2,0,0,0,0|0,0,2]=4 14594 B12R0.5 OCCCCCSCCCCCO 62a_100000746330_100000746330 [0,2,0,0,0,0|0,0,2]=4 14595 B12R0.5 OCCCCNCCCCCCF 2230a_100000750430_100015922095 [0,2,0,0,0,0|0,0,2]=4 14596 B12R0.5 OCCCCNCCCCCCF 34a_100000750430_100015922095 [0,2,0,0,0,0|0,0,2]=4 14597 B12R0.5 OCCCCOCCCCCCBr 34a_100011215345_100011216708 [0,2,0,0,0,0|0,0,2]=4 14598 B12R0.5 OCCCCOCCCCCCBr 7a_100011215345_100000210776 [0,2,0,0,0,0|0,0,2]=4 14599 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [0,2,0,0,0,0|0,0,2]=4 14600 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [0,2,0,0,0,0|0,0,2]=4 14601 B12R0.5 OCCCCOCCCCCCF 34a_100000732779_100011216708 [0,2,0,0,0,0|0,0,2]=4 14602 B12R0.5 OCCCCOCCCCCCF 7a_100000732779_100000210776 [0,2,0,0,0,0|0,0,2]=4 14603 B12R0.5 OCCCCSCCCCCCF 62a_100000210776_100015922095 [0,2,0,0,0,0|0,0,2]=4 14604 B12R0.5 OCCCCSCCCCCCF 62a_100015922095_100000210776 [0,2,0,0,0,0|0,0,2]=4 14605 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [0,2,0,0,0,0|0,0,2]=4 14606 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [0,2,0,0,0,0|0,0,2]=4 14607 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [0,2,0,0,0,0|0,0,2]=4 14608 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [0,2,0,0,0,0|0,0,2]=4 14609 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [0,2,0,0,0,0|0,0,2]=4 14610 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [0,2,0,0,0,0|0,0,2]=4 14611 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [0,2,0,0,0,0|0,0,2]=4 14612 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [0,2,0,0,0,0|0,0,2]=4 14613 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [0,2,0,0,0,0|0,0,2]=4 14614 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [0,2,0,0,0,0|0,0,2]=4 14615 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [0,2,0,0,0,0|0,0,2]=4 14616 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [0,2,0,0,0,0|0,0,2]=4 14617 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [0,2,0,0,0,0|0,0,2]=4 14618 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [0,2,0,0,0,0|0,0,2]=4 14619 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [0,2,0,0,0,0|0,0,2]=4 14620 B12R0.5 [N-]=[N+]=NCCCCCCNCC=O 2230a_200000049180_200015260668 [0,2,0,0,0,0|2,0,0]=4 14621 B12R0.5 [N-]=[N+]=NCCCCNCCCC=O 2230a_100000101370_200011292268 [0,2,0,0,0,0|2,0,0]=4 14622 B12R0.5 [N-]=[N+]=NCCCNCCCCC=O 2230a_100000744732_100000139335 [0,2,0,0,0,0|2,0,0]=4 14623 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100000690238_100000210757 [0,2,0,0,0,0|1,0,1]=4 14624 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100102632555_100000731252 [0,2,0,0,0,0|1,0,1]=4 14625 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000212188_100010269958 [0,2,0,0,0,0|1,0,1]=4 14626 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000696528_100000210326 [0,2,0,0,0,0|1,0,1]=4 14627 B12R0.47 C#CCCCCN(C)CCCCC 2230a_100000223495_100010269958 [0,2,0,0,0,0|1,0,1]=4 14628 B12R0.47 C#CCCCCN(C)CCCCC 269982a_100000223495_100010269958 [0,2,0,0,0,0|1,0,1]=4 14629 B12R0.47 C#CCCCN(C)CCCCCC 2230a_106256046315_100000731252 [0,2,0,0,0,0|1,0,1]=4 14630 B12R0.47 C#CCCCN(C)CCCCCC 269982a_106256046315_100011215417 [0,2,0,0,0,0|1,0,1]=4 14631 B12R0.47 C#CCCCNC(C)CCCCC 2230a_100000211957_100000731252 [0,2,0,0,0,0|1,0,1]=4 14632 B12R0.47 C#CCCCNC(C)CCCCC 270004a_100000718082_100000211708 [0,2,0,0,0,0|1,0,1]=4 14633 B12R0.47 C#CCCCNC(C)CCCCC 34a_100000718082_200011218191 [0,2,0,0,0,0|1,0,1]=4 14634 B12R0.47 C#CCCCOC(C)CCCCC 34a_100000215630_200011218191 [0,2,0,0,0,0|1,0,1]=4 14635 B12R0.47 C#CCCCOC(C)CCCCC 34a_100011215632_100000695029 [0,2,0,0,0,0|1,0,1]=4 14636 B12R0.47 C#CCCCOC(C)CCCCC 7a_100000215630_200011218191 [0,2,0,0,0,0|1,0,1]=4 14637 B12R0.47 C#CCCCOC(C)CCCCC 7a_100011215632_100011215417 [0,2,0,0,0,0|1,0,1]=4 14638 B12R0.47 C#CCCCSC(C)CCCCC 62a_100011215417_200011218191 [0,2,0,0,0,0|1,0,1]=4 14639 B12R0.47 C#CCCCSC(C)CCCCC 62a_200011218191_100011215417 [0,2,0,0,0,0|1,0,1]=4 14640 B12R0.47 C#CCCNC(C)CCCCCC 2230a_100000210919_100000688953 [0,2,0,0,0,0|1,0,1]=4 14641 B12R0.47 C#CCCNC(C)CCCCCC 34a_100000210919_100000688953 [0,2,0,0,0,0|1,0,1]=4 14642 B12R0.47 C#CCCNC(C)CCCCCC 34a_100000755551_100011215978 [0,2,0,0,0,0|1,0,1]=4 14643 B12R0.47 C#CCCOC(C)CCCCCC 34a_100000210265_100000688953 [0,2,0,0,0,0|1,0,1]=4 14644 B12R0.47 C#CCCOC(C)CCCCCC 34a_100011215631_100011215978 [0,2,0,0,0,0|1,0,1]=4 14645 B12R0.47 C#CCCOC(C)CCCCCC 7a_100000210265_100000688953 [0,2,0,0,0,0|1,0,1]=4 14646 B12R0.47 C#CCCSC(C)CCCCCC 62a_100000688953_100011215978 [0,2,0,0,0,0|1,0,1]=4 14647 B12R0.47 C#CCCSC(C)CCCCCC 62a_100011215978_100000688953 [0,2,0,0,0,0|1,0,1]=4 14648 B12R0.47 C/C=C/CCOC(C)CCCCC 34a_100016278192_200011218191 [0,2,0,0,0,0|1,0,1]=4 14649 B12R0.47 C/C=C/CNC(C)CCCCCC 34a_100000210919_100102629194 [0,2,0,0,0,0|1,0,1]=4 14650 B12R0.47 C/C=C/COC(C)CCCCCC 34a_100000210265_100102629194 [0,2,0,0,0,0|1,0,1]=4 14651 B12R0.47 C/C=C/COC(C)CCCCCC 34a_100016270725_100011215978 [0,2,0,0,0,0|1,0,1]=4 14652 B12R0.47 C/C=C/COC(C)CCCCCC 7a_100000210265_100102629194 [0,2,0,0,0,0|1,0,1]=4 14653 B12R0.47 C/C=C/CSC(C)CCCCCC 62a_100011215978_100102629194 [0,2,0,0,0,0|1,0,1]=4 14654 B12R0.47 C/C=C/CSC(C)CCCCCC 62a_100102629194_100011215978 [0,2,0,0,0,0|1,0,1]=4 14655 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [0,2,0,0,0,0|1,0,0]=3 14656 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [0,2,0,0,0,0|1,0,0]=3 14657 B12R0.47 C=CCCCC(=O)CCCCCF 1458a_100000766728_100000729378 [0,2,0,0,0,0|1,0,1]=4 14658 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100000766728_100000746330 [0,2,0,0,0,0|1,0,1]=4 14659 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100102619762_100000757094 [0,2,0,0,0,0|1,0,1]=4 14660 B12R0.47 C=CCCCC(=O)CCCCOC 1458a_100000766728_100000755781 [0,2,0,0,0,0|1,0,1]=4 14661 B12R0.47 C=CCCCC(=O)CCCOCC 1458a_100000766728_100012232248 [0,2,0,0,0,0|1,0,1]=4 14662 B12R0.47 C=CCCCC(=O)CCOCCC 1458a_100000766728_100011215938 [0,2,0,0,0,0|1,0,1]=4 14663 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000757543_100000757094 [0,2,0,0,0,0|1,0,1]=4 14664 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000766728_100011995733 [0,2,0,0,0,0|1,0,1]=4 14665 B12R0.47 C=CCCCC(=O)CSCCCC 1458a_100000191162_100000757094 [0,2,0,0,0,0|1,0,1]=4 14666 B12R0.47 C=CCCCC(=O)NCCCCC 11a_100000209983_100000766728 [0,2,0,0,0,0|1,0,1]=4 14667 B12R0.47 C=CCCCC(=O)NCCCCC 1626a_100000209983_100000766728 [0,2,0,0,0,0|1,0,1]=4 14668 B12R0.47 C=CCCCC(=O)NCCCCC 240690a_100000209983_100000766728 [0,2,0,0,0,0|1,0,1]=4 14669 B12R0.47 C=CCCCC(=O)NCCCCC 527a_100000209983_100000766728 [0,2,0,0,0,0|1,0,1]=4 14670 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [0,2,0,0,0,0|1,0,0]=3 14671 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [0,2,0,0,0,0|1,0,0]=3 14672 B12R0.47 C=CCCCCC(=O)CCCCF 1458a_100011215552_100000729493 [0,2,0,0,0,0|1,0,1]=4 14673 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100000695505_100011215482 [0,2,0,0,0,0|1,0,1]=4 14674 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100011215552_100000210776 [0,2,0,0,0,0|1,0,1]=4 14675 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100000741012_100011215482 [0,2,0,0,0,0|1,0,1]=4 14676 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100011215552_100000740836 [0,2,0,0,0,0|1,0,1]=4 14677 B12R0.47 C=CCCCCC(=O)CCCSC 1458a_100000173376_100011215482 [0,2,0,0,0,0|1,0,1]=4 14678 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100000749530_100011215482 [0,2,0,0,0,0|1,0,1]=4 14679 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100011215552_100011215890 [0,2,0,0,0,0|1,0,1]=4 14680 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100000230768_100011215482 [0,2,0,0,0,0|1,0,1]=4 14681 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100011215552_100000757381 [0,2,0,0,0,0|1,0,1]=4 14682 B12R0.47 C=CCCCCC(=O)COCCC 1458a_100000745993_100011215482 [0,2,0,0,0,0|1,0,1]=4 14683 B12R0.47 C=CCCCCC(=O)CSCCC 1458a_100000217233_100011215482 [0,2,0,0,0,0|1,0,1]=4 14684 B12R0.47 C=CCCCCC(=O)NCCCC 11a_100000102301_100011215552 [0,2,0,0,0,0|1,0,1]=4 14685 B12R0.47 C=CCCCCC(=O)NCCCC 1626a_100000102301_100011215552 [0,2,0,0,0,0|1,0,1]=4 14686 B12R0.47 C=CCCCCC(=O)NCCCC 240690a_100000102301_100011215552 [0,2,0,0,0,0|1,0,1]=4 14687 B12R0.47 C=CCCCCC(=O)NCCCC 527a_100000102301_100011215552 [0,2,0,0,0,0|1,0,1]=4 14688 B12R0.47 C=CCCCCN(C)CCCC=O 2230a_100012000471_200011292268 [0,2,0,0,0,0|0,0,2]=4 14689 B12R0.47 C=CCCCCN(C)CCCC=O 269982a_100012000471_200011292268 [0,2,0,0,0,0|0,0,2]=4 14690 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100000223495_100011215482 [0,2,0,0,0,0|1,0,0]=3 14691 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100012000471_100000210326 [0,2,0,0,0,0|1,0,0]=3 14692 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100000223495_100011215482 [0,2,0,0,0,0|1,0,0]=3 14693 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100012000471_100000210215 [0,2,0,0,0,0|1,0,0]=3 14694 B12R0.47 C=CCCCCN(C)CCCCF 2230a_100012000471_100000729493 [0,2,0,0,0,0|2,0,0]=4 14695 B12R0.47 C=CCCCCN(C)CCCCF 269982a_100012000471_100000729493 [0,2,0,0,0,0|2,0,0]=4 14696 B12R0.47 C=CCCCCN(C)CCCCO 2230a_100000717598_100011215482 [0,2,0,0,0,0|2,0,0]=4 14697 B12R0.47 C=CCCCCN(C)CCCCO 2230a_100012000471_100000210776 [0,2,0,0,0,0|2,0,0]=4 14698 B12R0.47 C=CCCCCN(C)CCCCO 269982a_100000717598_100011215482 [0,2,0,0,0,0|2,0,0]=4 14699 B12R0.47 C=CCCCCN(C)CCCCO 269982a_100012000471_100000210776 [0,2,0,0,0,0|2,0,0]=4 14700 B12R0.47 C=CCCCCN(C)CCCOC 2230a_100000224831_100011215482 [0,2,0,0,0,0|2,0,0]=4 14701 B12R0.47 C=CCCCCN(C)CCCOC 2230a_100012000471_100000740836 [0,2,0,0,0,0|2,0,0]=4 14702 B12R0.47 C=CCCCCN(C)CCCOC 269982a_100000224831_100011215482 [0,2,0,0,0,0|2,0,0]=4 14703 B12R0.47 C=CCCCCN(C)CCCOC 269982a_100012000471_100000740836 [0,2,0,0,0,0|2,0,0]=4 14704 B12R0.47 C=CCCCCN(C)CCOCC 2230a_100012000471_100011215890 [0,2,0,0,0,0|2,0,0]=4 14705 B12R0.47 C=CCCCCN(C)CCOCC 269982a_100012000471_100011215890 [0,2,0,0,0,0|2,0,0]=4 14706 B12R0.47 C=CCCCCN(C)CCSCC 2230a_100012000471_100000757381 [0,2,0,0,0,0|2,0,0]=4 14707 B12R0.47 C=CCCCCN(C)CCSCC 269982a_100012000471_100000757381 [0,2,0,0,0,0|2,0,0]=4 14708 B12R0.47 C=CCCCN(C)CCCCCC 2230a_106256046315_100011713584 [0,2,0,0,0,0|1,0,0]=3 14709 B12R0.47 C=CCCCN(C)CCCCCC 269982a_106256046315_100000757094 [0,2,0,0,0,0|1,0,0]=3 14710 B12R0.47 C=CCCCN(C)CCCCCO 2230a_100000722520_100011713584 [0,2,0,0,0,0|2,0,0]=4 14711 B12R0.47 C=CCCCN(C)CCCCCO 269982a_100000722520_100000757094 [0,2,0,0,0,0|2,0,0]=4 14712 B12R0.47 C=CCCCNC(=O)CCCCC 11a_100000700776_100000212188 [0,2,0,0,0,0|1,0,1]=4 14713 B12R0.47 C=CCCCNC(=O)CCCCC 1626a_100000700776_100000212188 [0,2,0,0,0,0|1,0,1]=4 14714 B12R0.47 C=CCCCNC(=O)CCCCC 240690a_100000700776_100000212188 [0,2,0,0,0,0|1,0,1]=4 14715 B12R0.47 C=CCCCNC(=O)CCCCC 527a_100000700776_100000212188 [0,2,0,0,0,0|1,0,1]=4 14716 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000211957_100011713584 [0,2,0,0,0,0|1,0,0]=3 14717 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000700776_200011218191 [0,2,0,0,0,0|1,0,0]=3 14718 B12R0.47 C=CCCCNC(C)CCCCC 270004a_100000700776_100000211708 [0,2,0,0,0,0|1,0,0]=3 14719 B12R0.47 C=CCCCNC(C)CCCCC 34a_100000700776_200011218191 [0,2,0,0,0,0|1,0,0]=3 14720 B12R0.47 C=CCCCNC(C)CCCSC 270004a_100000700776_100011399439 [0,2,0,0,0,0|2,0,0]=4 14721 B12R0.47 C=CCCCNC(C)CCOCC 270004a_100000700776_200011216536 [0,2,0,0,0,0|2,0,0]=4 14722 B12R0.47 C=CCCCNC(C)CSCCC 270004a_100000700776_100011343953 [0,2,0,0,0,0|2,0,0]=4 14723 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [0,2,0,0,0,0|1,0,0]=3 14724 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [0,2,0,0,0,0|1,0,0]=3 14725 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [0,2,0,0,0,0|1,0,0]=3 14726 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [0,2,0,0,0,0|1,0,0]=3 14727 B12R0.47 C=CCCCOC(C)CCCOC 34a_200011539412_100000757094 [0,2,0,0,0,0|2,0,0]=4 14728 B12R0.47 C=CCCCOC(C)CCCOC 7a_200011539412_100000757094 [0,2,0,0,0,0|2,0,0]=4 14729 B12R0.47 C=CCCCSC(C)CCCCC 62a_100011713584_200011218191 [0,2,0,0,0,0|1,0,0]=3 14730 B12R0.47 C=CCCCSC(C)CCCCC 62a_200011218191_100000757094 [0,2,0,0,0,0|1,0,0]=3 14731 B12R0.47 C=CCCNC(=O)CCCCCC 11a_100015191253_100102632555 [0,2,0,0,0,0|1,0,1]=4 14732 B12R0.47 C=CCCNC(=O)CCCCCC 1626a_100015191253_100102632555 [0,2,0,0,0,0|1,0,1]=4 14733 B12R0.47 C=CCCNC(=O)CCCCCC 240690a_100015191253_100102632555 [0,2,0,0,0,0|1,0,1]=4 14734 B12R0.47 C=CCCNC(=O)CCCCCC 527a_100015191253_100102632555 [0,2,0,0,0,0|1,0,1]=4 14735 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100000210919_100000754431 [0,2,0,0,0,0|1,0,0]=3 14736 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100015191253_100011215978 [0,2,0,0,0,0|1,0,0]=3 14737 B12R0.47 C=CCCNC(C)CCCCCC 270004a_100015191253_100000210826 [0,2,0,0,0,0|1,0,0]=3 14738 B12R0.47 C=CCCNC(C)CCCCCC 34a_100000210919_100000754431 [0,2,0,0,0,0|1,0,0]=3 14739 B12R0.47 C=CCCNCC(=O)CCCCC 2230a_100015191253_200012276598 [0,2,0,0,0,0|1,0,1]=4 14740 B12R0.47 C=CCCOC(C)CCCCCC 34a_100000210265_100000754431 [0,2,0,0,0,0|1,0,0]=3 14741 B12R0.47 C=CCCOC(C)CCCCCC 34a_100011205117_100011215978 [0,2,0,0,0,0|1,0,0]=3 14742 B12R0.47 C=CCCOC(C)CCCCCC 7a_100000210265_100000754431 [0,2,0,0,0,0|1,0,0]=3 14743 B12R0.47 C=CCCOC(C)COCCCC 34a_100011217071_100000754431 [0,2,0,0,0,0|2,0,0]=4 14744 B12R0.47 C=CCCOC(C)COCCCC 7a_100011217071_100000754431 [0,2,0,0,0,0|2,0,0]=4 14745 B12R0.47 C=CCCOCC(=O)CCCCC 34a_100011205117_200012276598 [0,2,0,0,0,0|1,0,1]=4 14746 B12R0.47 C=CCCOC[C@@H](N)CCCCN 34a_100016993712_100000754431 [0,2,0,0,0,0|2,0,0]=4 14747 B12R0.47 C=CCCSC(C)CCCCCC 62a_100000754431_100011215978 [0,2,0,0,0,0|1,0,0]=3 14748 B12R0.47 C=CCCSC(C)CCCCCC 62a_100011215978_100000754431 [0,2,0,0,0,0|1,0,0]=3 14749 B12R0.47 C=CCCSCC(=O)CCCCC 62a_100000754431_200012276598 [0,2,0,0,0,0|1,0,1]=4 14750 B12R0.47 C=CCCSCC(=O)CCCCC 62a_200012276598_100000754431 [0,2,0,0,0,0|1,0,1]=4 14751 B12R0.47 C=CCOCCC(=O)CCCCC 1458a_200011217002_100000210326 [0,2,0,0,0,0|1,0,1]=4 14752 B12R0.47 C=CCSCC(=O)CCCCCC 1458a_100000230395_100000210757 [0,2,0,0,0,0|1,0,1]=4 14753 B12R0.47 C=COCCC(=O)CCCCCC 1458a_100102632555_100000039644 [0,2,0,0,0,0|1,0,1]=4 14754 B12R0.47 C=COCCN(C)CCCCCC 2230a_106256046315_100000039644 [0,2,0,0,0,0|2,0,0]=4 14755 B12R0.47 C=COCCN(C)CCCCCC 269982a_106256046315_100000039644 [0,2,0,0,0,0|2,0,0]=4 14756 B12R0.47 C=COCCNC(C)CCCCC 2230a_100000211957_100000039644 [0,2,0,0,0,0|2,0,0]=4 14757 B12R0.47 C=COCCOC(C)CCCCC 34a_100000033082_200011218191 [0,2,0,0,0,0|2,0,0]=4 14758 B12R0.47 C=COCCOC(C)CCCCC 34a_100011215632_100000039644 [0,2,0,0,0,0|2,0,0]=4 14759 B12R0.47 C=COCCOC(C)CCCCC 7a_100011215632_100000039644 [0,2,0,0,0,0|2,0,0]=4 14760 B12R0.47 C=COCCSC(C)CCCCC 62a_100000039644_200011218191 [0,2,0,0,0,0|2,0,0]=4 14761 B12R0.47 C=COCCSC(C)CCCCC 62a_200011218191_100000039644 [0,2,0,0,0,0|2,0,0]=4 14762 B12R0.47 CC=CCNC(C)CCCCCC 2230a_100000210919_100000070051 [0,2,0,0,0,0|1,0,1]=4 14763 B12R0.47 CC=CCNC(C)CCCCCC 34a_100000210919_100000070051 [0,2,0,0,0,0|1,0,1]=4 14764 B12R0.47 CC=CCOC(C)CCCCCC 34a_100000210265_100000070051 [0,2,0,0,0,0|1,0,1]=4 14765 B12R0.47 CC=CCOC(C)CCCCCC 7a_100000210265_100000070051 [0,2,0,0,0,0|1,0,1]=4 14766 B12R0.47 CC=CCSC(C)CCCCCC 62a_100000070051_100011215978 [0,2,0,0,0,0|1,0,1]=4 14767 B12R0.47 CC=CCSC(C)CCCCCC 62a_100011215978_100000070051 [0,2,0,0,0,0|1,0,1]=4 14768 B12R0.47 CCC#CCC(C)OCCCC=O 7a_200000035118_200011292268 [0,2,0,0,0,0|0,0,2]=4 14769 B12R0.47 CCCCCC(=O)CCCCC#N 1458a_100000212188_100000211819 [0,2,0,0,0,0|1,0,1]=4 14770 B12R0.47 CCCCCC(=O)CCCCCF 1458a_100000212188_100000729378 [0,2,0,0,0,0|1,0,1]=4 14771 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [0,2,0,0,0,0|0,0,2]=4 14772 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [0,2,0,0,0,0|0,0,2]=4 14773 B12R0.47 CCCCCC(=O)CCCCOC 1458a_100000212188_100000755781 [0,2,0,0,0,0|2,0,0]=4 14774 B12R0.47 CCCCCC(C)NCCCC#N 2230a_100000211957_100000687738 [0,2,0,0,0,0|1,0,1]=4 14775 B12R0.47 CCCCCC(C)NCCCC=O 2230a_100000211957_200011292268 [0,2,0,0,0,0|0,0,0]=2 14776 B12R0.47 CCCCCC(C)NCCCCF 2230a_100000211957_100000729493 [0,2,0,0,0,0|1,0,1]=4 14777 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000211957_100000210776 [0,2,0,0,0,0|0,0,2]=4 14778 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000750430_200011218191 [0,2,0,0,0,0|0,0,2]=4 14779 B12R0.47 CCCCCC(C)NCCCCO 270004a_100000750430_100000211708 [0,2,0,0,0,0|0,0,2]=4 14780 B12R0.47 CCCCCC(C)NCCCCO 34a_100000750430_200011218191 [0,2,0,0,0,0|0,0,2]=4 14781 B12R0.47 CCCCCC(C)NCCCOC 2230a_100000211957_100000740836 [0,2,0,0,0,0|2,0,0]=4 14782 B12R0.47 CCCCCC(C)NCCCOC 270004a_100150723488_100000211708 [0,2,0,0,0,0|2,0,0]=4 14783 B12R0.47 CCCCCC(C)NCCCOC 34a_100150723488_200011218191 [0,2,0,0,0,0|2,0,0]=4 14784 B12R0.47 CCCCCC(C)NCCCSC 2230a_100000749238_200011218191 [0,2,0,0,0,0|2,0,0]=4 14785 B12R0.47 CCCCCC(C)NCCCSC 270004a_100000749238_100000211708 [0,2,0,0,0,0|2,0,0]=4 14786 B12R0.47 CCCCCC(C)OCCCC#N 7a_100011215632_100000687738 [0,2,0,0,0,0|1,0,1]=4 14787 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [0,2,0,0,0,0|0,0,0]=2 14788 B12R0.47 CCCCCC(C)OCCCCBr 34a_100011216708_200011218191 [0,2,0,0,0,0|1,0,1]=4 14789 B12R0.47 CCCCCC(C)OCCCCCl 34a_100000210776_200011218191 [0,2,0,0,0,0|1,0,1]=4 14790 B12R0.47 CCCCCC(C)OCCCCCl 7a_100000210776_200011218191 [0,2,0,0,0,0|1,0,1]=4 14791 B12R0.47 CCCCCC(C)OCCCCF 34a_100011215632_100000729493 [0,2,0,0,0,0|1,0,1]=4 14792 B12R0.47 CCCCCC(C)OCCCCF 34a_100011995726_200011218191 [0,2,0,0,0,0|1,0,1]=4 14793 B12R0.47 CCCCCC(C)OCCCCF 7a_100011215632_100000729493 [0,2,0,0,0,0|1,0,1]=4 14794 B12R0.47 CCCCCC(C)OCCCCF 7a_100011995726_200011218191 [0,2,0,0,0,0|1,0,1]=4 14795 B12R0.47 CCCCCC(C)OCCCCI 34a_200012148704_200011218191 [0,2,0,0,0,0|1,0,1]=4 14796 B12R0.47 CCCCCC(C)OCCCCN 34a_100000750430_200011218191 [0,2,0,0,0,0|1,0,1]=4 14797 B12R0.47 CCCCCC(C)OCCCCO 34a_100011215632_100011216708 [0,2,0,0,0,0|0,0,2]=4 14798 B12R0.47 CCCCCC(C)OCCCCO 7a_100011215632_100000210776 [0,2,0,0,0,0|0,0,2]=4 14799 B12R0.47 CCCCCC(C)OCCCNC 34a_100000213112_200011218191 [0,2,0,0,0,0|2,0,0]=4 14800 B12R0.47 CCCCCC(C)OCCCOC 34a_100000740835_200011218191 [0,2,0,0,0,0|2,0,0]=4 14801 B12R0.47 CCCCCC(C)OCCCOC 34a_100011215632_100000740836 [0,2,0,0,0,0|2,0,0]=4 14802 B12R0.47 CCCCCC(C)OCCCOC 7a_100011215632_100000740836 [0,2,0,0,0,0|2,0,0]=4 14803 B12R0.47 CCCCCC(C)OCCCSC 34a_100000690336_200011218191 [0,2,0,0,0,0|2,0,0]=4 14804 B12R0.47 CCCCCC(C)OCCCSC 7a_100000690336_200011218191 [0,2,0,0,0,0|2,0,0]=4 14805 B12R0.47 CCCCCC(C)SCCCC#N 62a_100000687738_200011218191 [0,2,0,0,0,0|1,0,1]=4 14806 B12R0.47 CCCCCC(C)SCCCC#N 62a_200011218191_100000687738 [0,2,0,0,0,0|1,0,1]=4 14807 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011218191_200011292268 [0,2,0,0,0,0|0,0,0]=2 14808 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011292268_200011218191 [0,2,0,0,0,0|0,0,0]=2 14809 B12R0.47 CCCCCC(C)SCCCCF 62a_100000729493_200011218191 [0,2,0,0,0,0|1,0,1]=4 14810 B12R0.47 CCCCCC(C)SCCCCF 62a_200011218191_100000729493 [0,2,0,0,0,0|1,0,1]=4 14811 B12R0.47 CCCCCC(C)SCCCCO 62a_100000210776_200011218191 [0,2,0,0,0,0|0,0,2]=4 14812 B12R0.47 CCCCCC(C)SCCCCO 62a_200011218191_100000210776 [0,2,0,0,0,0|0,0,2]=4 14813 B12R0.47 CCCCCC(C)SCCCOC 62a_100000709357_200011218191 [0,2,0,0,0,0|2,0,0]=4 14814 B12R0.47 CCCCCC(C)SCCCOC 62a_200011218191_100000709357 [0,2,0,0,0,0|2,0,0]=4 14815 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100000075515_100000210757 [0,2,0,0,0,0|1,0,1]=4 14816 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100102632555_100000211468 [0,2,0,0,0,0|1,0,1]=4 14817 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [0,2,0,0,0,0|1,0,1]=4 14818 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [0,2,0,0,0,0|1,0,1]=4 14819 B12R0.47 CCCCCCC(=O)CCCCF 1458a_100102632555_100000729493 [0,2,0,0,0,0|1,0,1]=4 14820 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [0,2,0,0,0,0|0,0,2]=4 14821 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [0,2,0,0,0,0|0,0,2]=4 14822 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100000741012_100000210757 [0,2,0,0,0,0|2,0,0]=4 14823 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100102632555_100000740836 [0,2,0,0,0,0|2,0,0]=4 14824 B12R0.47 CCCCCCC(=O)CCCSC 1458a_100000173376_100000210757 [0,2,0,0,0,0|2,0,0]=4 14825 B12R0.47 CCCCCCC(C)CCOCC 34a_200011024964_100000210202 [0,2,0,0,0,0|1,0,1]=4 14826 B12R0.47 CCCCCCC(C)CCOCC 7a_200011024964_100000210202 [0,2,0,0,0,0|1,0,1]=4 14827 B12R0.47 CCCCCCC(C)CCOCF 34a_200011024964_100015361967 [0,2,0,0,0,0|1,0,1]=4 14828 B12R0.47 CCCCCCC(C)CCOCF 7a_200011024964_100015361967 [0,2,0,0,0,0|1,0,1]=4 14829 B12R0.47 CCCCCCC(C)NCCC#N 2230a_100000210919_100011215226 [0,2,0,0,0,0|1,0,1]=4 14830 B12R0.47 CCCCCCC(C)NCCC#N 270004a_100000720768_100000210826 [0,2,0,0,0,0|1,0,1]=4 14831 B12R0.47 CCCCCCC(C)NCCCC 2230a_100000102301_100011215978 [0,2,0,0,0,0|1,0,1]=4 14832 B12R0.47 CCCCCCC(C)NCCCC 2230a_100000210919_100000210211 [0,2,0,0,0,0|1,0,1]=4 14833 B12R0.47 CCCCCCC(C)NCCCC 270004a_100000102301_100000210826 [0,2,0,0,0,0|1,0,1]=4 14834 B12R0.47 CCCCCCC(C)NCCCC 34a_100000210919_100000210210 [0,2,0,0,0,0|1,0,1]=4 14835 B12R0.47 CCCCCCC(C)NCCCC 7a_106832991798_100011215978 [0,2,0,0,0,0|1,0,1]=4 14836 B12R0.47 CCCCCCC(C)NCCCF 2230a_100000210919_100011934791 [0,2,0,0,0,0|1,0,1]=4 14837 B12R0.47 CCCCCCC(C)NCCCF 2230a_100015189416_100011215978 [0,2,0,0,0,0|1,0,1]=4 14838 B12R0.47 CCCCCCC(C)NCCCF 270004a_100015189416_100000210826 [0,2,0,0,0,0|1,0,1]=4 14839 B12R0.47 CCCCCCC(C)NCCCF 34a_100000210919_100011934791 [0,2,0,0,0,0|1,0,1]=4 14840 B12R0.47 CCCCCCC(C)NCCCF 34a_100015189416_100011215978 [0,2,0,0,0,0|1,0,1]=4 14841 B12R0.47 CCCCCCC(C)NCCCO 2230a_100000210919_100000230001 [0,2,0,0,0,0|0,0,2]=4 14842 B12R0.47 CCCCCCC(C)NCCCO 270004a_100000182051_100000210826 [0,2,0,0,0,0|0,0,2]=4 14843 B12R0.47 CCCCCCC(C)NCCCO 34a_100000210919_100000230001 [0,2,0,0,0,0|0,0,2]=4 14844 B12R0.47 CCCCCCC(C)NCCOC 2230a_100000209980_100011215978 [0,2,0,0,0,0|2,0,0]=4 14845 B12R0.47 CCCCCCC(C)NCCOC 2230a_100000210919_100011201679 [0,2,0,0,0,0|2,0,0]=4 14846 B12R0.47 CCCCCCC(C)NCCOC 270004a_100000209980_100000210826 [0,2,0,0,0,0|2,0,0]=4 14847 B12R0.47 CCCCCCC(C)NCCOC 34a_100000210919_100011201679 [0,2,0,0,0,0|2,0,0]=4 14848 B12R0.47 CCCCCCC(C)NCCSC 2230a_100000210919_100000751147 [0,2,0,0,0,0|2,0,0]=4 14849 B12R0.47 CCCCCCC(C)NCCSC 2230a_100020590264_100011215978 [0,2,0,0,0,0|2,0,0]=4 14850 B12R0.47 CCCCCCC(C)NCCSC 270004a_100020590264_100000210826 [0,2,0,0,0,0|2,0,0]=4 14851 B12R0.47 CCCCCCC(C)NCCSC 34a_100000210919_100000212216 [0,2,0,0,0,0|2,0,0]=4 14852 B12R0.47 CCCCCCC(C)OCCC#N 7a_100000210265_100000184422 [0,2,0,0,0,0|1,0,1]=4 14853 B12R0.47 CCCCCCC(C)OCCCBr 34a_100011217188_100011215978 [0,2,0,0,0,0|1,0,1]=4 14854 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210227_100011215978 [0,2,0,0,0,0|1,0,1]=4 14855 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210265_100000210210 [0,2,0,0,0,0|1,0,1]=4 14856 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210227_100011215978 [0,2,0,0,0,0|1,0,1]=4 14857 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210265_100000210211 [0,2,0,0,0,0|1,0,1]=4 14858 B12R0.47 CCCCCCC(C)OCCCCl 34a_100000230001_100011215978 [0,2,0,0,0,0|1,0,1]=4 14859 B12R0.47 CCCCCCC(C)OCCCF 34a_100000210265_100011934791 [0,2,0,0,0,0|1,0,1]=4 14860 B12R0.47 CCCCCCC(C)OCCCF 34a_100000759539_100011215978 [0,2,0,0,0,0|1,0,1]=4 14861 B12R0.47 CCCCCCC(C)OCCCF 7a_100000210265_100011934791 [0,2,0,0,0,0|1,0,1]=4 14862 B12R0.47 CCCCCCC(C)OCCCN 34a_100000182051_100011215978 [0,2,0,0,0,0|1,0,1]=4 14863 B12R0.47 CCCCCCC(C)OCCCO 34a_100000210265_100000230001 [0,2,0,0,0,0|0,0,2]=4 14864 B12R0.47 CCCCCCC(C)OCCCO 7a_100000210265_100011215043 [0,2,0,0,0,0|0,0,2]=4 14865 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210237_100011215978 [0,2,0,0,0,0|2,0,0]=4 14866 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210265_100011201679 [0,2,0,0,0,0|2,0,0]=4 14867 B12R0.47 CCCCCCC(C)OCCOC 7a_100000210265_100000233755 [0,2,0,0,0,0|2,0,0]=4 14868 B12R0.47 CCCCCCC(C)OCCON 34a_100000700252_100011215978 [0,2,0,0,0,0|2,0,0]=4 14869 B12R0.47 CCCCCCC(C)OCCSC 34a_100000210265_100000212216 [0,2,0,0,0,0|2,0,0]=4 14870 B12R0.47 CCCCCCC(C)OCCSC 34a_100000230434_100011215978 [0,2,0,0,0,0|2,0,0]=4 14871 B12R0.47 CCCCCCC(C)OCCSC 7a_100000210265_100000212216 [0,2,0,0,0,0|2,0,0]=4 14872 B12R0.47 CCCCCCC(C)OCCSC 7a_100000230434_100011215978 [0,2,0,0,0,0|2,0,0]=4 14873 B12R0.47 CCCCCCC(C)SCCC#N 62a_100011215226_100011215978 [0,2,0,0,0,0|1,0,1]=4 14874 B12R0.47 CCCCCCC(C)SCCC#N 62a_100011215978_100011215226 [0,2,0,0,0,0|1,0,1]=4 14875 B12R0.47 CCCCCCC(C)SCCCC 62a_100000210211_100011215978 [0,2,0,0,0,0|1,0,1]=4 14876 B12R0.47 CCCCCCC(C)SCCCC 62a_100011215978_100000210210 [0,2,0,0,0,0|1,0,1]=4 14877 B12R0.47 CCCCCCC(C)SCCCF 62a_100011215978_100011934791 [0,2,0,0,0,0|1,0,1]=4 14878 B12R0.47 CCCCCCC(C)SCCCF 62a_100011934791_100011215978 [0,2,0,0,0,0|1,0,1]=4 14879 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215043_100011215978 [0,2,0,0,0,0|0,0,2]=4 14880 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215978_100011215043 [0,2,0,0,0,0|0,0,2]=4 14881 B12R0.47 CCCCCCC(C)SCCOC 62a_100000233755_100011215978 [0,2,0,0,0,0|2,0,0]=4 14882 B12R0.47 CCCCCCC(C)SCCOC 62a_100011215978_100000233755 [0,2,0,0,0,0|2,0,0]=4 14883 B12R0.47 CCCCCCC(C)SCCSC 62a_100000212216_100011215978 [0,2,0,0,0,0|2,0,0]=4 14884 B12R0.47 CCCCCCC(C)SCCSC 62a_100011215978_100000751147 [0,2,0,0,0,0|2,0,0]=4 14885 B12R0.47 CCCCCCN(C)CCCC#N 2230a_106256046315_100000687738 [0,2,0,0,0,0|1,0,1]=4 14886 B12R0.47 CCCCCCN(C)CCCC#N 269982a_106256046315_100000687738 [0,2,0,0,0,0|1,0,1]=4 14887 B12R0.47 CCCCCCN(C)CCCC=O 2230a_106256046315_200011292268 [0,2,0,0,0,0|0,0,0]=2 14888 B12R0.47 CCCCCCN(C)CCCC=O 269982a_106256046315_200011292268 [0,2,0,0,0,0|0,0,0]=2 14889 B12R0.47 CCCCCCN(C)CCCCC 2230a_100000223495_100000210314 [0,2,0,0,0,0|1,0,1]=4 14890 B12R0.47 CCCCCCN(C)CCCCC 2230a_106256046315_100000210326 [0,2,0,0,0,0|1,0,1]=4 14891 B12R0.47 CCCCCCN(C)CCCCC 269982a_100000223495_100000210757 [0,2,0,0,0,0|1,0,1]=4 14892 B12R0.47 CCCCCCN(C)CCCCC 269982a_106256046315_100000210215 [0,2,0,0,0,0|1,0,1]=4 14893 B12R0.47 CCCCCCN(C)CCCCF 2230a_106256046315_100000729493 [0,2,0,0,0,0|1,0,1]=4 14894 B12R0.47 CCCCCCN(C)CCCCF 269982a_106256046315_100000729493 [0,2,0,0,0,0|1,0,1]=4 14895 B12R0.47 CCCCCCN(C)CCCCO 2230a_100000717598_100000210314 [0,2,0,0,0,0|0,0,2]=4 14896 B12R0.47 CCCCCCN(C)CCCCO 2230a_106256046315_100000210776 [0,2,0,0,0,0|0,0,2]=4 14897 B12R0.47 CCCCCCN(C)CCCCO 269982a_100000717598_100000210757 [0,2,0,0,0,0|0,0,2]=4 14898 B12R0.47 CCCCCCN(C)CCCCO 269982a_106256046315_100000210776 [0,2,0,0,0,0|0,0,2]=4 14899 B12R0.47 CCCCCCN(C)CCCOC 2230a_100000224831_100000210314 [0,2,0,0,0,0|2,0,0]=4 14900 B12R0.47 CCCCCCN(C)CCCOC 2230a_106256046315_100000740836 [0,2,0,0,0,0|2,0,0]=4 14901 B12R0.47 CCCCCCN(C)CCCOC 269982a_100000224831_100000210757 [0,2,0,0,0,0|2,0,0]=4 14902 B12R0.47 CCCCCCN(C)CCCOC 269982a_106256046315_100000740836 [0,2,0,0,0,0|2,0,0]=4 14903 B12R0.47 CCCCCN(C)CCCCC#N 2230a_100000223495_100000211819 [0,2,0,0,0,0|1,0,1]=4 14904 B12R0.47 CCCCCN(C)CCCCC#N 269982a_100000223495_100011219923 [0,2,0,0,0,0|1,0,1]=4 14905 B12R0.47 CCCCCN(C)CCCCC=O 2230a_100000223495_100000139335 [0,2,0,0,0,0|0,0,0]=2 14906 B12R0.47 CCCCCN(C)CCCCC=O 269982a_100000223495_100000139335 [0,2,0,0,0,0|0,0,0]=2 14907 B12R0.47 CCCCCN(C)CCCCCF 2230a_100000223495_100000729378 [0,2,0,0,0,0|1,0,1]=4 14908 B12R0.47 CCCCCN(C)CCCCCF 269982a_100000223495_100000729378 [0,2,0,0,0,0|1,0,1]=4 14909 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000223495_100000746330 [0,2,0,0,0,0|0,0,2]=4 14910 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000722520_100000210326 [0,2,0,0,0,0|0,0,2]=4 14911 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000223495_100000746330 [0,2,0,0,0,0|0,0,2]=4 14912 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000722520_100000210215 [0,2,0,0,0,0|0,0,2]=4 14913 B12R0.47 CCCCCN(C)CCCCOC 2230a_100000223495_100000730899 [0,2,0,0,0,0|2,0,0]=4 14914 B12R0.47 CCCCCN(C)CCCCOC 269982a_100000223495_100000730899 [0,2,0,0,0,0|2,0,0]=4 14915 B12R0.47 CCCCCNC(=O)CSCC=O 62a_100000230301_200015260668 [0,2,0,0,0,0|1,0,1]=4 14916 B12R0.47 CCCCCNC(=O)CSCC=O 62a_200015260668_100000230301 [0,2,0,0,0,0|1,0,1]=4 14917 B12R0.47 CCCCCNC(C)CCCC#N 270004a_100000209983_200000032708 [0,2,0,0,0,0|1,0,1]=4 14918 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000209983_200011218191 [0,2,0,0,0,0|1,0,1]=4 14919 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000211957_100000210326 [0,2,0,0,0,0|1,0,1]=4 14920 B12R0.47 CCCCCNC(C)CCCCC 270004a_100000209983_100000211708 [0,2,0,0,0,0|1,0,1]=4 14921 B12R0.47 CCCCCNC(C)CCCSC 270004a_100000209983_100011399439 [0,2,0,0,0,0|2,0,0]=4 14922 B12R0.47 CCCCCOC(C)CCCCC 34a_100000210253_200011218191 [0,2,0,0,0,0|1,0,1]=4 14923 B12R0.47 CCCCCOC(C)CCCCC 34a_100011215632_100000718602 [0,2,0,0,0,0|1,0,1]=4 14924 B12R0.47 CCCCCOC(C)CCCCC 7a_100000210253_200011218191 [0,2,0,0,0,0|1,0,1]=4 14925 B12R0.47 CCCCCOC(C)CCCCC 7a_100011215632_100000210326 [0,2,0,0,0,0|1,0,1]=4 14926 B12R0.47 CCCCCOC(C)CCCOC 34a_200011539412_100000718602 [0,2,0,0,0,0|2,0,0]=4 14927 B12R0.47 CCCCCOC(C)CCCOC 7a_200011539412_100000210326 [0,2,0,0,0,0|2,0,0]=4 14928 B12R0.47 CCCCCSC(C)CCCCC 62a_100000210326_200011218191 [0,2,0,0,0,0|1,0,1]=4 14929 B12R0.47 CCCCCSC(C)CCCCC 62a_200011218191_100000210326 [0,2,0,0,0,0|1,0,1]=4 14930 B12R0.47 CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000210210 [0,2,0,0,0,0|1,0,1]=4 14931 B12R0.47 CN(CCCC=O)CCCCCO 2230a_100000722520_200011292268 [0,2,0,0,0,0|1,0,0]=3 14932 B12R0.47 CN(CCCC=O)CCCCCO 269982a_100000722520_200011292268 [0,2,0,0,0,0|1,0,0]=3 14933 B12R0.47 CN(CCCC=O)CCOCCO 2230a_100000228057_200011292268 [0,2,0,0,0,0|2,0,0]=4 14934 B12R0.47 CN(CCCC=O)CCOCCO 269982a_100000228057_200011292268 [0,2,0,0,0,0|2,0,0]=4 14935 B12R0.47 CN(CCCCO)CCCCC=O 2230a_100000717598_100000139335 [0,2,0,0,0,0|1,0,0]=3 14936 B12R0.47 CN(CCCCO)CCCCC=O 269982a_100000717598_100000139335 [0,2,0,0,0,0|1,0,0]=3 14937 B12R0.47 COCCCC(C)OCCCC=O 7a_200011539412_200011292268 [0,2,0,0,0,0|1,0,0]=3 14938 B12R0.47 COCCCN(C)CCCCC=O 2230a_100000224831_100000139335 [0,2,0,0,0,0|1,0,0]=3 14939 B12R0.47 COCCCN(C)CCCCC=O 269982a_100000224831_100000139335 [0,2,0,0,0,0|1,0,0]=3 14940 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000211969_100000753159 [0,2,0,0,0,0|1,0,1]=4 14941 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000692101_100000210614 [0,2,0,0,0,0|1,0,1]=4 14942 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000210183_100012094781 [0,2,0,0,0,0|1,0,1]=4 14943 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000694772_100000210211 [0,2,0,0,0,0|1,0,1]=4 14944 B12R0.206 C#CCCCCCN(C)CCCC 2230a_100000207549_100012094781 [0,2,0,0,0,0|1,0,1]=4 14945 B12R0.206 C#CCCCCCN(C)CCCC 269982a_100000207549_100012094781 [0,2,0,0,0,0|1,0,1]=4 14946 B12R0.206 C#CCCCCNC(C)CCCC 2230a_100000126638_100010269958 [0,2,0,0,0,0|1,0,1]=4 14947 B12R0.206 C#CCCCCNC(C)CCCC 2230a_100000706060_200011215066 [0,2,0,0,0,0|1,0,1]=4 14948 B12R0.206 C#CCCCCNC(C)CCCC 34a_100000706060_200011215066 [0,2,0,0,0,0|1,0,1]=4 14949 B12R0.206 C#CCCCCOC(C)CCCC 34a_100000687866_100010269958 [0,2,0,0,0,0|1,0,1]=4 14950 B12R0.206 C#CCCCCOC(C)CCCC 34a_100000766709_200011215066 [0,2,0,0,0,0|1,0,1]=4 14951 B12R0.206 C#CCCCCOC(C)CCCC 7a_100000687866_100010269958 [0,2,0,0,0,0|1,0,1]=4 14952 B12R0.206 C#CCCCCOC(C)CCCC 7a_100000766709_200011215066 [0,2,0,0,0,0|1,0,1]=4 14953 B12R0.206 C#CCCCCSC(C)CCCC 62a_100010269958_200011215066 [0,2,0,0,0,0|1,0,1]=4 14954 B12R0.206 C#CCCCCSC(C)CCCC 62a_200011215066_100010269958 [0,2,0,0,0,0|1,0,1]=4 14955 B12R0.206 C#CCCCOCC(C)CCCC 34a_100011995851_100000695029 [0,2,0,0,0,0|1,0,1]=4 14956 B12R0.206 C#CCCCOCC(C)CCCC 7a_100011995851_100011215417 [0,2,0,0,0,0|1,0,1]=4 14957 B12R0.206 C#CCCCOC[C@@H](N)CCCC 34a_100011934283_100000695029 [0,2,0,0,0,0|1,0,1]=4 14958 B12R0.206 C#CCCN(C)CCCCCCC 2230a_100000228206_100000688953 [0,2,0,0,0,0|1,0,1]=4 14959 B12R0.206 C#CCCN(C)CCCCCCC 269982a_100000228206_100000730999 [0,2,0,0,0,0|1,0,1]=4 14960 B12R0.206 C#CCNC(C)CCCCCCC 34a_100000212058_200011218727 [0,2,0,0,0,0|1,0,1]=4 14961 B12R0.206 C#CCOC(C)CCCCCCC 34a_100000210247_200011218727 [0,2,0,0,0,0|1,0,1]=4 14962 B12R0.206 C#CCOC(C)CCCCCCC 34a_200011215852_100000184674 [0,2,0,0,0,0|1,0,1]=4 14963 B12R0.206 C#CCOC(C)CCCCCCC 7a_200011215852_100000038162 [0,2,0,0,0,0|1,0,1]=4 14964 B12R0.206 C#CCSC(C)CCCCCCC 62a_100000038162_200011218727 [0,2,0,0,0,0|1,0,1]=4 14965 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,2,0,0,0,0|1,0,1]=4 14966 B12R0.206 C/C=C/CN(C)CCCCCCC 269982a_100000228206_100102629194 [0,2,0,0,0,0|1,0,1]=4 14967 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,2,0,0,0,0|1,0,0]=3 14968 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,2,0,0,0,0|1,0,0]=3 14969 B12R0.206 C=CCCC(=O)CCCCCCF 1458a_100000749702_100015922095 [0,2,0,0,0,0|1,0,1]=4 14970 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [0,2,0,0,0,0|1,0,1]=4 14971 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [0,2,0,0,0,0|1,0,1]=4 14972 B12R0.206 C=CCCC(=O)CCCCCOC 1458a_100011935119_100000754431 [0,2,0,0,0,0|1,0,1]=4 14973 B12R0.206 C=CCCC(=O)CCOCCCC 1458a_100000749702_100000743108 [0,2,0,0,0,0|1,0,1]=4 14974 B12R0.206 C=CCCC(=O)NCCCCCC 11a_100000210581_100000749702 [0,2,0,0,0,0|1,0,1]=4 14975 B12R0.206 C=CCCC(=O)NCCCCCC 1626a_100000210581_100000749702 [0,2,0,0,0,0|1,0,1]=4 14976 B12R0.206 C=CCCC(=O)NCCCCCC 240690a_100000210581_100000749702 [0,2,0,0,0,0|1,0,1]=4 14977 B12R0.206 C=CCCC(=O)NCCCCCC 527a_100000210581_100000749702 [0,2,0,0,0,0|1,0,1]=4 14978 B12R0.206 C=CCCC(C)NCCCCCC 270004a_100000210581_100000762624 [0,2,0,0,0,0|1,0,0]=3 14979 B12R0.206 C=CCCC(C)NCCCCCO 270004a_100000762737_100000762624 [0,2,0,0,0,0|2,0,0]=4 14980 B12R0.206 C=CCCC(C)NCCCOCC 270004a_100000210961_100000762624 [0,2,0,0,0,0|2,0,0]=4 14981 B12R0.206 C=CCCC(C)NCCOCCC 270004a_100161115042_100000762624 [0,2,0,0,0,0|2,0,0]=4 14982 B12R0.206 C=CCCC(C)NCCSCCC 270004a_100020603323_100000762624 [0,2,0,0,0,0|2,0,0]=4 14983 B12R0.206 C=CCCC(C)OCCCCC=O 7a_100000765329_100000139335 [0,2,0,0,0,0|0,0,2]=4 14984 B12R0.206 C=CCCC(C)OCCCCCC 34a_100000765329_100000210314 [0,2,0,0,0,0|1,0,0]=3 14985 B12R0.206 C=CCCC(C)OCCCCCC 7a_100000765329_100000210314 [0,2,0,0,0,0|1,0,0]=3 14986 B12R0.206 C=CCCC(C)OCCCCCF 34a_100000765329_100000729378 [0,2,0,0,0,0|2,0,0]=4 14987 B12R0.206 C=CCCC(C)OCCCCCF 7a_100000765329_100000729378 [0,2,0,0,0,0|2,0,0]=4 14988 B12R0.206 C=CCCC(C)OCCCCCO 34a_100000765329_100000746330 [0,2,0,0,0,0|2,0,0]=4 14989 B12R0.206 C=CCCC(C)OCCCCCO 7a_100000765329_100000746330 [0,2,0,0,0,0|2,0,0]=4 14990 B12R0.206 C=CCCC(C)OCCCCOC 34a_100000765329_100000755781 [0,2,0,0,0,0|2,0,0]=4 14991 B12R0.206 C=CCCC(C)OCCCCOC 7a_100000765329_100000730899 [0,2,0,0,0,0|2,0,0]=4 14992 B12R0.206 C=CCCC(C)OCCCOCC 34a_100000765329_100012232248 [0,2,0,0,0,0|2,0,0]=4 14993 B12R0.206 C=CCCC(C)OCCCOCC 7a_100000765329_100012232248 [0,2,0,0,0,0|2,0,0]=4 14994 B12R0.206 C=CCCC(C)OCCOCCC 34a_100000765329_100011215938 [0,2,0,0,0,0|2,0,0]=4 14995 B12R0.206 C=CCCC(C)OCCOCCC 7a_100000765329_100011215938 [0,2,0,0,0,0|2,0,0]=4 14996 B12R0.206 C=CCCC(C)OCOCCCC 34a_100000765329_100011995733 [0,2,0,0,0,0|2,0,0]=4 14997 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [0,2,0,0,0,0|1,0,0]=3 14998 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [0,2,0,0,0,0|1,0,0]=3 14999 B12R0.206 C=CCCCCCC(=O)CCCF 1458a_100011934241_100011934791 [0,2,0,0,0,0|1,0,1]=4 15000 B12R0.206 C=CCCCCCC(=O)CCCO 1458a_100011934241_100011215043 [0,2,0,0,0,0|1,0,1]=4 15001 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100000749529_100000700193 [0,2,0,0,0,0|1,0,1]=4 15002 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100011934241_100000233755 [0,2,0,0,0,0|1,0,1]=4 15003 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100000174002_100000700193 [0,2,0,0,0,0|1,0,1]=4 15004 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100011934241_100000751147 [0,2,0,0,0,0|1,0,1]=4 15005 B12R0.206 C=CCCCCCC(=O)COCC 1458a_100000211967_100000700193 [0,2,0,0,0,0|1,0,1]=4 15006 B12R0.206 C=CCCCCCC(=O)CSCC 1458a_100000230394_100000700193 [0,2,0,0,0,0|1,0,1]=4 15007 B12R0.206 C=CCCCCCC(=O)NCCC 11a_100020643023_100011934241 [0,2,0,0,0,0|1,0,1]=4 15008 B12R0.206 C=CCCCCCC(=O)NCCC 1626a_100020643023_100011934241 [0,2,0,0,0,0|1,0,1]=4 15009 B12R0.206 C=CCCCCCC(=O)NCCC 240690a_100020643023_100011934241 [0,2,0,0,0,0|1,0,1]=4 15010 B12R0.206 C=CCCCCCC(=O)NCCC 527a_100020643023_100011934241 [0,2,0,0,0,0|1,0,1]=4 15011 B12R0.206 C=CCCCCCN(C)CCCC 2230a_100000207549_100000700193 [0,2,0,0,0,0|1,0,0]=3 15012 B12R0.206 C=CCCCCCN(C)CCCC 269982a_100000207549_100000700193 [0,2,0,0,0,0|1,0,0]=3 15013 B12R0.206 C=CCCCCCN(C)CCCO 2230a_100000213112_100000700193 [0,2,0,0,0,0|2,0,0]=4 15014 B12R0.206 C=CCCCCCN(C)CCCO 269982a_100000213112_100000700193 [0,2,0,0,0,0|2,0,0]=4 15015 B12R0.206 C=CCCCCCN(C)CCOC 2230a_100000743101_100000700193 [0,2,0,0,0,0|2,0,0]=4 15016 B12R0.206 C=CCCCCCN(C)CCOC 269982a_100000743101_100000700193 [0,2,0,0,0,0|2,0,0]=4 15017 B12R0.206 C=CCCCCCN(C)CCSC 2230a_100000686725_100000700193 [0,2,0,0,0,0|2,0,0]=4 15018 B12R0.206 C=CCCCCCN(C)CCSC 269982a_100000686725_100000700193 [0,2,0,0,0,0|2,0,0]=4 15019 B12R0.206 C=CCCCCNC(=O)CCCC 11a_100000703577_100000210183 [0,2,0,0,0,0|1,0,1]=4 15020 B12R0.206 C=CCCCCNC(=O)CCCC 1626a_100000703577_100000210183 [0,2,0,0,0,0|1,0,1]=4 15021 B12R0.206 C=CCCCCNC(=O)CCCC 240690a_100000703577_100000210183 [0,2,0,0,0,0|1,0,1]=4 15022 B12R0.206 C=CCCCCNC(=O)CCCC 527a_100000703577_100000210183 [0,2,0,0,0,0|1,0,1]=4 15023 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000126638_100011215482 [0,2,0,0,0,0|1,0,0]=3 15024 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000703577_200011215066 [0,2,0,0,0,0|1,0,0]=3 15025 B12R0.206 C=CCCCCNC(C)CCCC 270004a_100000703577_100000210087 [0,2,0,0,0,0|1,0,0]=3 15026 B12R0.206 C=CCCCCNC(C)CCCC 34a_100000703577_200011215066 [0,2,0,0,0,0|1,0,0]=3 15027 B12R0.206 C=CCCCCNC(C)CCOC 270004a_100000703577_100000742357 [0,2,0,0,0,0|2,0,0]=4 15028 B12R0.206 C=CCCCCNC(C)CCSC 270004a_100000703577_100011217047 [0,2,0,0,0,0|2,0,0]=4 15029 B12R0.206 C=CCCCCNC(C)CSCC 270004a_100000703577_200011216171 [0,2,0,0,0,0|2,0,0]=4 15030 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000687866_100011215482 [0,2,0,0,0,0|1,0,0]=3 15031 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000766645_200011215066 [0,2,0,0,0,0|1,0,0]=3 15032 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000687866_100011215482 [0,2,0,0,0,0|1,0,0]=3 15033 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000766645_200011215066 [0,2,0,0,0,0|1,0,0]=3 15034 B12R0.206 C=CCCCCOC(C)CCCCl 34a_200000718107_100011215482 [0,2,0,0,0,0|2,0,0]=4 15035 B12R0.206 C=CCCCCOC(C)CCCCl 7a_200000718107_100011215482 [0,2,0,0,0,0|2,0,0]=4 15036 B12R0.206 C=CCCCCOC(C)COCC 34a_100000718985_100011215482 [0,2,0,0,0,0|2,0,0]=4 15037 B12R0.206 C=CCCCCOC(C)COCC 7a_100000718985_100011215482 [0,2,0,0,0,0|2,0,0]=4 15038 B12R0.206 C=CCCCCSC(C)CCCC 62a_100011215482_200011215066 [0,2,0,0,0,0|1,0,0]=3 15039 B12R0.206 C=CCCCCSC(C)CCCC 62a_200011215066_100011215482 [0,2,0,0,0,0|1,0,0]=3 15040 B12R0.206 C=CCCCNCC(C)OCCC 2230a_100015185124_100011713584 [0,2,0,0,0,0|2,0,0]=4 15041 B12R0.206 C=CCCCNCC(C)OCCC 34a_100015185124_100000757094 [0,2,0,0,0,0|2,0,0]=4 15042 B12R0.206 C=CCCCNCC(O)COCC 2230a_102515437182_100011713584 [0,2,0,0,0,0|2,0,0]=4 15043 B12R0.206 C=CCCCNCC(O)COCC 34a_102515437182_100000757094 [0,2,0,0,0,0|2,0,0]=4 15044 B12R0.206 C=CCCCNC[C@H](C)CCCO 2230a_100160569302_100011713584 [0,2,0,0,0,0|2,0,0]=4 15045 B12R0.206 C=CCCCNC[C@H](C)CCCO 34a_100160569302_100000757094 [0,2,0,0,0,0|2,0,0]=4 15046 B12R0.206 C=CCCCOCC(C)CCCC 34a_100011995851_100000757094 [0,2,0,0,0,0|1,0,0]=3 15047 B12R0.206 C=CCCCOCC(C)CCCC 7a_100011995851_100000757094 [0,2,0,0,0,0|1,0,0]=3 15048 B12R0.206 C=CCCCOC[C@@H](N)CCCC 34a_100011934283_100000757094 [0,2,0,0,0,0|1,0,0]=3 15049 B12R0.206 C=CCCCOC[C@@H](N)CCSC 34a_100011827619_100000757094 [0,2,0,0,0,0|2,0,0]=4 15050 B12R0.206 C=CCCN(C)CCCCCC=O 2230a_100020639649_100000139337 [0,2,0,0,0,0|0,0,2]=4 15051 B12R0.206 C=CCCN(C)CCCCCC=O 269982a_100020639649_100000139337 [0,2,0,0,0,0|0,0,2]=4 15052 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100000228206_100000754431 [0,2,0,0,0,0|1,0,0]=3 15053 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100020639649_100000210681 [0,2,0,0,0,0|1,0,0]=3 15054 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100000228206_100000754431 [0,2,0,0,0,0|1,0,0]=3 15055 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100020639649_100000210681 [0,2,0,0,0,0|1,0,0]=3 15056 B12R0.206 C=CCCN(C)CCCCCCF 2230a_100020639649_100015922095 [0,2,0,0,0,0|2,0,0]=4 15057 B12R0.206 C=CCCN(C)CCCCCCF 269982a_100020639649_100015922095 [0,2,0,0,0,0|2,0,0]=4 15058 B12R0.206 C=CCCN(C)CCCCCCO 2230a_100020639649_100000766143 [0,2,0,0,0,0|2,0,0]=4 15059 B12R0.206 C=CCCN(C)CCCCCCO 269982a_100020639649_100000766143 [0,2,0,0,0,0|2,0,0]=4 15060 B12R0.206 C=CCCN(C)CCOCCCC 2230a_100020639649_100000743108 [0,2,0,0,0,0|2,0,0]=4 15061 B12R0.206 C=CCCN(C)CCOCCCC 269982a_100020639649_100000743108 [0,2,0,0,0,0|2,0,0]=4 15062 B12R0.206 C=CCNC(=O)CCCCCCC 1626a_100020586998_100000211969 [0,2,0,0,0,0|1,0,1]=4 15063 B12R0.206 C=CCNC(=O)CCCCCCC 240690a_100020586998_100000211969 [0,2,0,0,0,0|1,0,1]=4 15064 B12R0.206 C=CCNC(=O)CCCCCCC 527a_100020586998_100000211969 [0,2,0,0,0,0|1,0,1]=4 15065 B12R0.206 C=CCNC(C)CCCCCCC 2230a_100020586998_200011218727 [0,2,0,0,0,0|1,0,0]=3 15066 B12R0.206 C=CCNC(C)CCCCCCC 270004a_100020586998_100000210596 [0,2,0,0,0,0|1,0,0]=3 15067 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [0,2,0,0,0,0|1,0,0]=3 15068 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [0,2,0,0,0,0|1,0,0]=3 15069 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [0,2,0,0,0,0|1,0,0]=3 15070 B12R0.206 C=CCOCCOC(C)CCCC 34a_100000037705_200011215066 [0,2,0,0,0,0|2,0,0]=4 15071 B12R0.206 C=CCOCCOC(C)CCCC 7a_100000037705_200011215066 [0,2,0,0,0,0|2,0,0]=4 15072 B12R0.206 C=CCSC(C)CCCCCCC 62a_100000210623_200011218727 [0,2,0,0,0,0|1,0,0]=3 15073 B12R0.206 C=CCSC(C)CCCCCCC 62a_200011218727_100000210623 [0,2,0,0,0,0|1,0,0]=3 15074 B12R0.206 C=COCCCNC(C)CCCC 2230a_100000210767_200011215066 [0,2,0,0,0,0|2,0,0]=4 15075 B12R0.206 C=COCCCNC(C)CCCC 270004a_100000210767_100000210087 [0,2,0,0,0,0|2,0,0]=4 15076 B12R0.206 C=COCCCNC(C)CCCC 34a_100000210767_200011215066 [0,2,0,0,0,0|2,0,0]=4 15077 B12R0.206 C=COCCOCC(C)CCCC 34a_100011995851_100000039644 [0,2,0,0,0,0|2,0,0]=4 15078 B12R0.206 C=COCCOCC(C)CCCC 7a_100011995851_100000039644 [0,2,0,0,0,0|2,0,0]=4 15079 B12R0.206 C=COCCOC[C@@H](N)CCCC 34a_100011934283_100000039644 [0,2,0,0,0,0|2,0,0]=4 15080 B12R0.206 CC(CCCCl)OCCCCC=O 7a_200000718107_100000139335 [0,2,0,0,0,0|1,0,0]=3 15081 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,2,0,0,0,0|1,0,1]=4 15082 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,2,0,0,0,0|1,0,1]=4 15083 B12R0.206 CC=CCCCOC(C)CCCC 34a_100020645299_200011215066 [0,2,0,0,0,0|1,0,1]=4 15084 B12R0.206 CC=CCN(C)CCCCCCC 2230a_100000228206_100000070051 [0,2,0,0,0,0|1,0,1]=4 15085 B12R0.206 CCC#CC(C)OCCCCC=O 7a_100000033903_100000139335 [0,2,0,0,0,0|0,0,2]=4 15086 B12R0.206 CCCCC(=O)CCCCCC#N 1458a_100000210183_100009813376 [0,2,0,0,0,0|1,0,1]=4 15087 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,2,0,0,0,0|1,0,1]=4 15088 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,2,0,0,0,0|0,0,2]=4 15089 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,2,0,0,0,0|0,0,2]=4 15090 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,2,0,0,0,0|2,0,0]=4 15091 B12R0.206 CCCCC(C)CCCCOCC 34a_200011021034_100000210202 [0,2,0,0,0,0|1,0,1]=4 15092 B12R0.206 CCCCC(C)CCCCOCC 7a_200011021034_100000210202 [0,2,0,0,0,0|1,0,1]=4 15093 B12R0.206 CCCCC(C)CCCCOCF 34a_200011021034_100015361967 [0,2,0,0,0,0|1,0,1]=4 15094 B12R0.206 CCCCC(C)CCCCOCF 7a_200011021034_100015361967 [0,2,0,0,0,0|1,0,1]=4 15095 B12R0.206 CCCCC(C)COCCCC#N 7a_100011995851_100000687738 [0,2,0,0,0,0|1,0,1]=4 15096 B12R0.206 CCCCC(C)COCCCC=O 7a_100011995851_200011292268 [0,2,0,0,0,0|0,0,0]=2 15097 B12R0.206 CCCCC(C)COCCCCF 34a_100011995851_100000729493 [0,2,0,0,0,0|1,0,1]=4 15098 B12R0.206 CCCCC(C)COCCCCF 7a_100011995851_100000729493 [0,2,0,0,0,0|1,0,1]=4 15099 B12R0.206 CCCCC(C)COCCCCO 34a_100011995851_100011216708 [0,2,0,0,0,0|0,0,2]=4 15100 B12R0.206 CCCCC(C)COCCCCO 7a_100011995851_100000210776 [0,2,0,0,0,0|0,0,2]=4 15101 B12R0.206 CCCCC(C)COCCCOC 34a_100011995851_100000740836 [0,2,0,0,0,0|2,0,0]=4 15102 B12R0.206 CCCCC(C)COCCCOC 7a_100011995851_100000740836 [0,2,0,0,0,0|2,0,0]=4 15103 B12R0.206 CCCCC(C)NCCCCC#N 2230a_100000126638_100000211819 [0,2,0,0,0,0|1,0,1]=4 15104 B12R0.206 CCCCC(C)NCCCCC#N 270004a_100000751965_100000210087 [0,2,0,0,0,0|1,0,1]=4 15105 B12R0.206 CCCCC(C)NCCCCC=O 2230a_100000126638_100000139335 [0,2,0,0,0,0|0,0,0]=2 15106 B12R0.206 CCCCC(C)NCCCCCF 2230a_100000126638_100000729378 [0,2,0,0,0,0|1,0,1]=4 15107 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000126638_100000746330 [0,2,0,0,0,0|0,0,2]=4 15108 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000762737_200011215066 [0,2,0,0,0,0|0,0,2]=4 15109 B12R0.206 CCCCC(C)NCCCCCO 270004a_100000762737_100000210087 [0,2,0,0,0,0|0,0,2]=4 15110 B12R0.206 CCCCC(C)NCCCCCO 34a_100000762737_200011215066 [0,2,0,0,0,0|0,0,2]=4 15111 B12R0.206 CCCCC(C)NCCCCOC 2230a_100000126638_100000730899 [0,2,0,0,0,0|2,0,0]=4 15112 B12R0.206 CCCCC(C)OCCCCC#N 7a_100000687866_100000211819 [0,2,0,0,0,0|1,0,1]=4 15113 B12R0.206 CCCCC(C)OCCCCC=O 7a_100000687866_100000139335 [0,2,0,0,0,0|0,0,0]=2 15114 B12R0.206 CCCCC(C)OCCCCCBr 34a_100000746331_200011215066 [0,2,0,0,0,0|1,0,1]=4 15115 B12R0.206 CCCCC(C)OCCCCCBr 7a_100000746331_200011215066 [0,2,0,0,0,0|1,0,1]=4 15116 B12R0.206 CCCCC(C)OCCCCCCl 34a_100000746330_200011215066 [0,2,0,0,0,0|1,0,1]=4 15117 B12R0.206 CCCCC(C)OCCCCCCl 7a_100000746330_200011215066 [0,2,0,0,0,0|1,0,1]=4 15118 B12R0.206 CCCCC(C)OCCCCCF 34a_100000687866_100000729378 [0,2,0,0,0,0|1,0,1]=4 15119 B12R0.206 CCCCC(C)OCCCCCF 7a_100000687866_100000729378 [0,2,0,0,0,0|1,0,1]=4 15120 B12R0.206 CCCCC(C)OCCCCCI 34a_200012148887_200011215066 [0,2,0,0,0,0|1,0,1]=4 15121 B12R0.206 CCCCC(C)OCCCCCI 7a_200012148887_200011215066 [0,2,0,0,0,0|1,0,1]=4 15122 B12R0.206 CCCCC(C)OCCCCCN 34a_100000762737_200011215066 [0,2,0,0,0,0|1,0,1]=4 15123 B12R0.206 CCCCC(C)OCCCCCO 34a_100000687866_100000746330 [0,2,0,0,0,0|0,0,2]=4 15124 B12R0.206 CCCCC(C)OCCCCCO 7a_100000687866_100000746330 [0,2,0,0,0,0|0,0,2]=4 15125 B12R0.206 CCCCC(C)OCCCCOC 34a_100000687866_100000755781 [0,2,0,0,0,0|2,0,0]=4 15126 B12R0.206 CCCCC(C)OCCCCOC 34a_100000740925_200011215066 [0,2,0,0,0,0|2,0,0]=4 15127 B12R0.206 CCCCC(C)OCCCCOC 7a_100000687866_100000730899 [0,2,0,0,0,0|2,0,0]=4 15128 B12R0.206 CCCCC(C)OCCCCSC 34a_100011217163_200011215066 [0,2,0,0,0,0|2,0,0]=4 15129 B12R0.206 CCCCC(C)OCCCCSC 7a_100011217163_200011215066 [0,2,0,0,0,0|2,0,0]=4 15130 B12R0.206 CCCCC(C)SCCCCC#N 62a_100011219923_200011215066 [0,2,0,0,0,0|1,0,1]=4 15131 B12R0.206 CCCCC(C)SCCCCC#N 62a_200011215066_100000211819 [0,2,0,0,0,0|1,0,1]=4 15132 B12R0.206 CCCCC(C)SCCCCC=O 62a_100000139335_200011215066 [0,2,0,0,0,0|0,0,0]=2 15133 B12R0.206 CCCCC(C)SCCCCC=O 62a_200011215066_100000139335 [0,2,0,0,0,0|0,0,0]=2 15134 B12R0.206 CCCCC(C)SCCCCCF 62a_100000729378_200011215066 [0,2,0,0,0,0|1,0,1]=4 15135 B12R0.206 CCCCC(C)SCCCCCF 62a_200011215066_100000729378 [0,2,0,0,0,0|1,0,1]=4 15136 B12R0.206 CCCCC(C)SCCCCCO 62a_100000746330_200011215066 [0,2,0,0,0,0|0,0,2]=4 15137 B12R0.206 CCCCC(C)SCCCCCO 62a_200011215066_100000746330 [0,2,0,0,0,0|0,0,2]=4 15138 B12R0.206 CCCCC(C)SCCCCOC 62a_100000730899_200011215066 [0,2,0,0,0,0|2,0,0]=4 15139 B12R0.206 CCCCC(C)SCCCCOC 62a_200011215066_100000730899 [0,2,0,0,0,0|2,0,0]=4 15140 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100000211969_100011215226 [0,2,0,0,0,0|1,0,1]=4 15141 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100011934036_100000210614 [0,2,0,0,0,0|1,0,1]=4 15142 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,2,0,0,0,0|1,0,1]=4 15143 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,2,0,0,0,0|1,0,1]=4 15144 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,2,0,0,0,0|1,0,1]=4 15145 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,2,0,0,0,0|0,0,2]=4 15146 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,2,0,0,0,0|2,0,0]=4 15147 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,2,0,0,0,0|2,0,0]=4 15148 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,2,0,0,0,0|2,0,0]=4 15149 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,2,0,0,0,0|2,0,0]=4 15150 B12R0.206 CCCCCCCC(C)NCCC 270004a_100020643023_100000210596 [0,2,0,0,0,0|1,0,1]=4 15151 B12R0.206 CCCCCCCC(C)NCCF 34a_100000724931_200011218727 [0,2,0,0,0,0|1,0,1]=4 15152 B12R0.206 CCCCCCCC(C)NCCO 2230a_100016997473_200011218727 [0,2,0,0,0,0|0,0,2]=4 15153 B12R0.206 CCCCCCCC(C)NCCO 270004a_100000210304_100000210596 [0,2,0,0,0,0|0,0,2]=4 15154 B12R0.206 CCCCCCCC(C)NCCO 34a_100016990907_200011218727 [0,2,0,0,0,0|0,0,2]=4 15155 B12R0.206 CCCCCCCC(C)OCC#N 7a_200011215852_100011215382 [0,2,0,0,0,0|1,0,1]=4 15156 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [0,2,0,0,0,0|0,0,0]=2 15157 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [0,2,0,0,0,0|0,0,0]=2 15158 B12R0.206 CCCCCCCC(C)OCCBr 34a_100000211926_200011218727 [0,2,0,0,0,0|1,0,1]=4 15159 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [0,2,0,0,0,0|1,0,1]=4 15160 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [0,2,0,0,0,0|1,0,1]=4 15161 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [0,2,0,0,0,0|1,0,1]=4 15162 B12R0.206 CCCCCCCC(C)OCCF 34a_200011215852_100011217306 [0,2,0,0,0,0|1,0,1]=4 15163 B12R0.206 CCCCCCCC(C)OCCF 7a_200011215852_100011217306 [0,2,0,0,0,0|1,0,1]=4 15164 B12R0.206 CCCCCCCC(C)OCCN 34a_100000210304_200011218727 [0,2,0,0,0,0|1,0,1]=4 15165 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [0,2,0,0,0,0|0,0,2]=4 15166 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [0,2,0,0,0,0|0,0,2]=4 15167 B12R0.206 CCCCCCCC(C)OCSC 34a_200011215852_100011218213 [0,2,0,0,0,0|2,0,0]=4 15168 B12R0.206 CCCCCCCC(C)SCC#N 62a_100011215382_200011218727 [0,2,0,0,0,0|1,0,1]=4 15169 B12R0.206 CCCCCCCC(C)SCC#N 62a_200011218727_100011215382 [0,2,0,0,0,0|1,0,1]=4 15170 B12R0.206 CCCCCCCC(C)SCC=O 62a_200011218727_200015260668 [0,2,0,0,0,0|0,0,0]=2 15171 B12R0.206 CCCCCCCC(C)SCC=O 62a_200015260668_200011218727 [0,2,0,0,0,0|0,0,0]=2 15172 B12R0.206 CCCCCCCC(C)SCCC 62a_100000210303_200011218727 [0,2,0,0,0,0|1,0,1]=4 15173 B12R0.206 CCCCCCCC(C)SCCC 62a_200011218727_100000210303 [0,2,0,0,0,0|1,0,1]=4 15174 B12R0.206 CCCCCCCC(C)SCCF 62a_100011217306_200011218727 [0,2,0,0,0,0|1,0,1]=4 15175 B12R0.206 CCCCCCCC(C)SCCF 62a_200011218727_100011217306 [0,2,0,0,0,0|1,0,1]=4 15176 B12R0.206 CCCCCCCC(C)SCCO 62a_100000211926_200011218727 [0,2,0,0,0,0|0,0,2]=4 15177 B12R0.206 CCCCCCCC(C)SCCO 62a_200011218727_100000211926 [0,2,0,0,0,0|0,0,2]=4 15178 B12R0.206 CCCCCCCC(C)SCOC 62a_100000766300_200011218727 [0,2,0,0,0,0|2,0,0]=4 15179 B12R0.206 CCCCCCCC(C)SCOC 62a_200011218727_100000766300 [0,2,0,0,0,0|2,0,0]=4 15180 B12R0.206 CCCCCCCC(C)SCSC 62a_100011218213_200011218727 [0,2,0,0,0,0|2,0,0]=4 15181 B12R0.206 CCCCCCCC(C)SCSC 62a_200011218727_100011218213 [0,2,0,0,0,0|2,0,0]=4 15182 B12R0.206 CCCCCCCN(C)CCC#N 2230a_100000184479_100000210681 [0,2,0,0,0,0|1,0,1]=4 15183 B12R0.206 CCCCCCCN(C)CCC#N 2230a_100000228206_100011215226 [0,2,0,0,0,0|1,0,1]=4 15184 B12R0.206 CCCCCCCN(C)CCC#N 269982a_100000228206_100011215226 [0,2,0,0,0,0|1,0,1]=4 15185 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000207549_100000210681 [0,2,0,0,0,0|1,0,1]=4 15186 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000228206_100000210211 [0,2,0,0,0,0|1,0,1]=4 15187 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000207549_100000210681 [0,2,0,0,0,0|1,0,1]=4 15188 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000228206_100000210211 [0,2,0,0,0,0|1,0,1]=4 15189 B12R0.206 CCCCCCCN(C)CCCF 2230a_100000228206_100011934791 [0,2,0,0,0,0|1,0,1]=4 15190 B12R0.206 CCCCCCCN(C)CCCF 269982a_100000228206_100011934791 [0,2,0,0,0,0|1,0,1]=4 15191 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000213112_100000210681 [0,2,0,0,0,0|0,0,2]=4 15192 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000228206_100000230001 [0,2,0,0,0,0|0,0,2]=4 15193 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000213112_100000210681 [0,2,0,0,0,0|0,0,2]=4 15194 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000228206_100011215043 [0,2,0,0,0,0|0,0,2]=4 15195 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000228206_100011201679 [0,2,0,0,0,0|2,0,0]=4 15196 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000743101_100000210681 [0,2,0,0,0,0|2,0,0]=4 15197 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000228206_100000233755 [0,2,0,0,0,0|2,0,0]=4 15198 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000743101_100000210681 [0,2,0,0,0,0|2,0,0]=4 15199 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000228206_100000751147 [0,2,0,0,0,0|2,0,0]=4 15200 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000686725_100000210681 [0,2,0,0,0,0|2,0,0]=4 15201 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000228206_100000212216 [0,2,0,0,0,0|2,0,0]=4 15202 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000686725_100000210681 [0,2,0,0,0,0|2,0,0]=4 15203 B12R0.206 CCCCCCNC(C)CCCC 2230a_100000126638_100000210314 [0,2,0,0,0,0|1,0,1]=4 15204 B12R0.206 CCCCCCNC(C)CCCC 2230a_100000210581_200011215066 [0,2,0,0,0,0|1,0,1]=4 15205 B12R0.206 CCCCCCNC(C)CCCC 270004a_100000210581_100000210087 [0,2,0,0,0,0|1,0,1]=4 15206 B12R0.206 CCCCCCNC(C)CCOC 270004a_100000210581_100000742357 [0,2,0,0,0,0|2,0,0]=4 15207 B12R0.206 CCCCCCNC(C)CCSC 270004a_100000210581_100011217047 [0,2,0,0,0,0|2,0,0]=4 15208 B12R0.206 CCCCCCOC(C)CCCC 34a_100000210259_200011215066 [0,2,0,0,0,0|1,0,1]=4 15209 B12R0.206 CCCCCCOC(C)CCCC 34a_100000687866_100000210314 [0,2,0,0,0,0|1,0,1]=4 15210 B12R0.206 CCCCCCOC(C)CCCC 7a_100000210259_200011215066 [0,2,0,0,0,0|1,0,1]=4 15211 B12R0.206 CCCCCCOC(C)CCCC 7a_100000687866_100000210314 [0,2,0,0,0,0|1,0,1]=4 15212 B12R0.206 CCCCCCOC(C)CCCCl 34a_200000718107_100000210314 [0,2,0,0,0,0|1,0,1]=4 15213 B12R0.206 CCCCCCOC(C)CCCCl 7a_200000718107_100000210314 [0,2,0,0,0,0|1,0,1]=4 15214 B12R0.206 CCCCCCSC(C)CCCC 62a_100000210314_200011215066 [0,2,0,0,0,0|1,0,1]=4 15215 B12R0.206 CCCCCCSC(C)CCCC 62a_200011215066_100000210757 [0,2,0,0,0,0|1,0,1]=4 15216 B12R0.206 CCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210326 [0,2,0,0,0,0|0,0,2]=4 15217 B12R0.206 CCCCCNC[C@H](C)CCCO 34a_100160569302_100000718602 [0,2,0,0,0,0|0,0,2]=4 15218 B12R0.206 CCCCCOCC(C)CCCC 34a_100011995851_100000718602 [0,2,0,0,0,0|1,0,1]=4 15219 B12R0.206 CCCCCOCC(C)CCCC 7a_100011995851_100000210326 [0,2,0,0,0,0|1,0,1]=4 15220 B12R0.206 CCCCCOC[C@@H](N)CCCC 34a_100011934283_100000718602 [0,2,0,0,0,0|1,0,1]=4 15221 B12R0.206 CCCCCOC[C@@H](N)CCSC 34a_100011827619_100000718602 [0,2,0,0,0,0|2,0,0]=4 15222 B12R0.206 CCCCN(C)CCCCCC#N 2230a_100000207549_100009813376 [0,2,0,0,0,0|1,0,1]=4 15223 B12R0.206 CCCCN(C)CCCCCC#N 269982a_100000207549_100009813376 [0,2,0,0,0,0|1,0,1]=4 15224 B12R0.206 CCCCN(C)CCCCCC=O 2230a_100000207549_100000139337 [0,2,0,0,0,0|0,0,0]=2 15225 B12R0.206 CCCCN(C)CCCCCC=O 269982a_100000207549_100000139337 [0,2,0,0,0,0|0,0,0]=2 15226 B12R0.206 CCCCN(C)CCCCCCF 2230a_100000207549_100015922095 [0,2,0,0,0,0|1,0,1]=4 15227 B12R0.206 CCCCN(C)CCCCCCF 269982a_100000207549_100015922095 [0,2,0,0,0,0|1,0,1]=4 15228 B12R0.206 CCCCN(C)CCCCCCO 2230a_100000207549_100000766143 [0,2,0,0,0,0|0,0,2]=4 15229 B12R0.206 CCCCN(C)CCCCCCO 269982a_100000207549_100000766143 [0,2,0,0,0,0|0,0,2]=4 15230 B12R0.206 CCCC[C@H](N)COCCCCF 34a_100011934283_100000729493 [0,2,0,0,0,0|1,0,1]=4 15231 B12R0.206 CCCC[C@H](N)COCCCCO 34a_100011934283_100011216708 [0,2,0,0,0,0|0,0,2]=4 15232 B12R0.206 CCCC[C@H](N)COCCCOC 34a_100011934283_100000740836 [0,2,0,0,0,0|2,0,0]=4 15233 B12R0.206 CCCNC(=O)CCCSCC=O 62a_100011194427_200015260668 [0,2,0,0,0,0|1,0,1]=4 15234 B12R0.206 CCCNC(=O)CCCSCC=O 62a_200015260668_100011194427 [0,2,0,0,0,0|1,0,1]=4 15235 B12R0.206 CCCNC(=O)CNCCCC=O 2230a_100000174927_200011292268 [0,2,0,0,0,0|1,0,1]=4 15236 B12R0.206 CCCNC(=O)CSCCCC=O 62a_100000183358_200011292268 [0,2,0,0,0,0|1,0,1]=4 15237 B12R0.206 CCCNC(=O)CSCCCC=O 62a_200011292268_100000183358 [0,2,0,0,0,0|1,0,1]=4 15238 B12R0.206 CCCOC(=O)CSCCCC=O 62a_200011215008_200011292268 [0,2,0,0,0,0|1,0,1]=4 15239 B12R0.206 CCCOC(=O)CSCCCC=O 62a_200011292268_200011215008 [0,2,0,0,0,0|1,0,1]=4 15240 B12R0.206 CCCOC(C)CNCCCC=O 2230a_100015185124_200011292268 [0,2,0,0,0,0|1,0,0]=3 15241 B12R0.206 CCOCC(C)OCCCCC=O 7a_100000718985_100000139335 [0,2,0,0,0,0|1,0,0]=3 15242 B12R0.206 CCOCC(O)CNCCCC=O 2230a_102515437182_200011292268 [0,2,0,0,0,0|1,0,0]=3 15243 B12R0.206 CN(CCC#N)CCCCCC=O 2230a_100000184479_100000139337 [0,2,0,0,0,0|1,0,1]=4 15244 B12R0.206 CN(CCCO)CCCCCC=O 2230a_100000213112_100000139337 [0,2,0,0,0,0|1,0,0]=3 15245 B12R0.206 CN(CCCO)CCCCCC=O 269982a_100000213112_100000139337 [0,2,0,0,0,0|1,0,0]=3 15246 B12R0.206 COCCN(C)CCCCCC=O 2230a_100000743101_100000139337 [0,2,0,0,0,0|1,0,0]=3 15247 B12R0.206 COCCN(C)CCCCCC=O 269982a_100000743101_100000139337 [0,2,0,0,0,0|1,0,0]=3 15248 B12R0.206 COCO[C@H](C)COCCCC=O 7a_100016172286_200011292268 [0,2,0,0,0,0|2,0,0]=4 15249 B12R0.206 CSCCN(C)CCCCCC=O 2230a_100000686725_100000139337 [0,2,0,0,0,0|1,0,0]=3 15250 B12R0.206 CSCCN(C)CCCCCC=O 269982a_100000686725_100000139337 [0,2,0,0,0,0|1,0,0]=3 15251 B12R0.206 C[C@H](CCCO)CNCCCC=O 2230a_100160569302_200011292268 [0,2,0,0,0,0|1,0,0]=3 15252 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,2,0,0,0,0|0,0,1]=3 15253 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,2,0,0,0,0|0,0,1]=3 15254 B12R0.234 C#CCCCCCCCNC(C)C 2230a_100138425928_100153394163 [0,2,0,0,0,0|1,0,1]=4 15255 B12R0.234 C#CCCCCCCCNC(C)C 34a_100138425928_100153394163 [0,2,0,0,0,0|1,0,1]=4 15256 B12R0.234 C#CCCCCCCCOC(C)C 34a_100000054614_100000210206 [0,2,0,0,0,0|1,0,1]=4 15257 B12R0.234 C#CCCCCCCCOC(C)C 34a_100000212225_100153394163 [0,2,0,0,0,0|1,0,1]=4 15258 B12R0.234 C#CCCCCCCCOC(C)C 7a_100000054614_100000210206 [0,2,0,0,0,0|1,0,1]=4 15259 B12R0.234 C#CCCCCCCCSC(C)C 62a_100000210206_100153394163 [0,2,0,0,0,0|1,0,1]=4 15260 B12R0.234 C#CCCCCCCCSC(C)C 62a_100153394163_100000210206 [0,2,0,0,0,0|1,0,1]=4 15261 B12R0.234 C#CCCCCCCNCC(=O)N 2230a_100000711301_100012276617 [0,2,0,0,0,0|0,0,2]=4 15262 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [0,2,0,0,0,0|0,0,2]=4 15263 B12R0.234 C#CCCCCCCNCC(C)C 2230a_100000210953_100012276617 [0,2,0,0,0,0|1,0,1]=4 15264 B12R0.234 C#CCCCCCCNCC(C)C 34a_100000210953_100012276617 [0,2,0,0,0,0|1,0,1]=4 15265 B12R0.234 C#CCCCCCCNCC(C)O 2230a_100000210904_100012276617 [0,2,0,0,0,0|1,0,1]=4 15266 B12R0.234 C#CCCCCCCNCC(C)O 34a_100000210904_100012276617 [0,2,0,0,0,0|1,0,1]=4 15267 B12R0.234 C#CCCCCCCOCC(=O)C 34a_100000211253_100012276617 [0,2,0,0,0,0|0,0,2]=4 15268 B12R0.234 C#CCCCCCCOCC(=O)N 34a_100011217361_100000187820 [0,2,0,0,0,0|0,0,2]=4 15269 B12R0.234 C#CCCCCCCOCC(=O)N 7a_100011217361_100000187820 [0,2,0,0,0,0|0,0,2]=4 15270 B12R0.234 C#CCCCCCCOCC(=O)[O-] 34a_100011217361_100020667443 [0,2,0,0,0,0|0,0,2]=4 15271 B12R0.234 C#CCCCCCCOCC(C)Br 34a_100012180447_100012276617 [0,2,0,0,0,0|1,0,1]=4 15272 B12R0.234 C#CCCCCCCOCC(C)C 34a_100000210257_100012276617 [0,2,0,0,0,0|1,0,1]=4 15273 B12R0.234 C#CCCCCCCOCC(C)C 34a_100011217361_100000210624 [0,2,0,0,0,0|1,0,1]=4 15274 B12R0.234 C#CCCCCCCOCC(C)C 7a_100011217361_100000210760 [0,2,0,0,0,0|1,0,1]=4 15275 B12R0.234 C#CCCCCCCOCC(C)F 34a_100015925927_100012276617 [0,2,0,0,0,0|1,0,1]=4 15276 B12R0.234 C#CCCCCCCOCC(C)O 34a_100011217361_100011218427 [0,2,0,0,0,0|1,0,1]=4 15277 B12R0.234 C#CCCCCCCOCC(C)O 7a_100011217361_100011218427 [0,2,0,0,0,0|1,0,1]=4 15278 B12R0.234 C#CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100012276617 [0,2,0,0,0,0|1,0,1]=4 15279 B12R0.234 C#CCCCCCCOC[C@@H](C)N 34a_100000737577_100012276617 [0,2,0,0,0,0|1,0,1]=4 15280 B12R0.234 C#CCCCCCCOC[C@@H](C)O 34a_100011217361_100009817552 [0,2,0,0,0,0|1,0,1]=4 15281 B12R0.234 C#CCCCCCCOC[C@@H](C)O 7a_100011217361_100009817552 [0,2,0,0,0,0|1,0,1]=4 15282 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100000747473_100012276617 [0,2,0,0,0,0|0,0,2]=4 15283 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100012276617_100000747473 [0,2,0,0,0,0|0,0,2]=4 15284 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100012276617_100020667443 [0,2,0,0,0,0|0,0,2]=4 15285 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100020667443_100012276617 [0,2,0,0,0,0|0,0,2]=4 15286 B12R0.234 C#CCCCCCCSCC(C)C 62a_100000210624_100012276617 [0,2,0,0,0,0|1,0,1]=4 15287 B12R0.234 C#CCCCCCCSCC(C)C 62a_100012276617_100000210760 [0,2,0,0,0,0|1,0,1]=4 15288 B12R0.234 C#CCCCCCCSCC(C)O 62a_100011218427_100012276617 [0,2,0,0,0,0|1,0,1]=4 15289 B12R0.234 C#CCCCCCCSCC(C)O 62a_100012276617_100011218427 [0,2,0,0,0,0|1,0,1]=4 15290 B12R0.234 C#CCCCCCCSC[C@@H](C)O 62a_100009817552_100012276617 [0,2,0,0,0,0|1,0,1]=4 15291 B12R0.234 C#CCCCCCCSC[C@@H](C)O 62a_100012276617_100009817552 [0,2,0,0,0,0|1,0,1]=4 15292 B12R0.234 C#CCCCCCNCCC(C)O 2230a_200000755665_100012094781 [0,2,0,0,0,0|1,0,1]=4 15293 B12R0.234 C#CCCCCCOCCC(=O)C 34a_100000759926_100012094781 [0,2,0,0,0,0|0,0,2]=4 15294 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000759926_100012094781 [0,2,0,0,0,0|0,0,2]=4 15295 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000766912_100000053229 [0,2,0,0,0,0|0,0,2]=4 15296 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000757172_100012094781 [0,2,0,0,0,0|0,0,2]=4 15297 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000766912_100000731001 [0,2,0,0,0,0|0,0,2]=4 15298 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000757172_100012094781 [0,2,0,0,0,0|0,0,2]=4 15299 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000766912_100000744528 [0,2,0,0,0,0|0,0,2]=4 15300 B12R0.234 C#CCCCCCOCCC(C)Br 34a_100009893172_100012094781 [0,2,0,0,0,0|1,0,1]=4 15301 B12R0.234 C#CCCCCCOCCC(C)C 34a_100000210254_100012094781 [0,2,0,0,0,0|1,0,1]=4 15302 B12R0.234 C#CCCCCCOCCC(C)C 34a_100000766912_100000210312 [0,2,0,0,0,0|1,0,1]=4 15303 B12R0.234 C#CCCCCCOCCC(C)C 7a_100000210254_100012094781 [0,2,0,0,0,0|1,0,1]=4 15304 B12R0.234 C#CCCCCCOCCC(C)C 7a_100000766912_100000210626 [0,2,0,0,0,0|1,0,1]=4 15305 B12R0.234 C#CCCCCCOCCC(C)O 34a_100000766912_100012276601 [0,2,0,0,0,0|1,0,1]=4 15306 B12R0.234 C#CCCCCCOCCC(C)O 7a_100000766912_100012276601 [0,2,0,0,0,0|1,0,1]=4 15307 B12R0.234 C#CCCCCCOCC[C@@H](C)N 34a_100000706166_100012094781 [0,2,0,0,0,0|1,0,1]=4 15308 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100000053229_100012094781 [0,2,0,0,0,0|0,0,2]=4 15309 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100012094781_100000053229 [0,2,0,0,0,0|0,0,2]=4 15310 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100000744528_100012094781 [0,2,0,0,0,0|0,0,2]=4 15311 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100012094781_100000744528 [0,2,0,0,0,0|0,0,2]=4 15312 B12R0.234 C#CCCCCCSCCC(C)C 62a_100000210312_100012094781 [0,2,0,0,0,0|1,0,1]=4 15313 B12R0.234 C#CCCCCCSCCC(C)C 62a_100012094781_100000210312 [0,2,0,0,0,0|1,0,1]=4 15314 B12R0.234 C#CCCCCCSCCC(C)O 62a_100012094781_100012276601 [0,2,0,0,0,0|1,0,1]=4 15315 B12R0.234 C#CCCCCCSCCC(C)O 62a_100012276601_100012094781 [0,2,0,0,0,0|1,0,1]=4 15316 B12R0.234 C#CCCCCNCCCC(=O)C 34a_100000706060_100000685027 [0,2,0,0,0,0|0,0,2]=4 15317 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000706060_100102525003 [0,2,0,0,0,0|0,0,2]=4 15318 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000739312_100010269958 [0,2,0,0,0,0|0,0,2]=4 15319 B12R0.234 C#CCCCCNCCCC(C)C 2230a_100000706060_100011214892 [0,2,0,0,0,0|1,0,1]=4 15320 B12R0.234 C#CCCCCNCCCC(C)C 2230a_200000737386_100010269958 [0,2,0,0,0,0|1,0,1]=4 15321 B12R0.234 C#CCCCCNCCCC(C)C 34a_100000706060_100011214892 [0,2,0,0,0,0|1,0,1]=4 15322 B12R0.234 C#CCCCCNCCCC(C)C 34a_200000737386_100010269958 [0,2,0,0,0,0|1,0,1]=4 15323 B12R0.234 C#CCCCCNCCCC(C)O 2230a_100000706060_200000718107 [0,2,0,0,0,0|1,0,1]=4 15324 B12R0.234 C#CCCCCNCCCC(C)O 34a_100000706060_200000718107 [0,2,0,0,0,0|1,0,1]=4 15325 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000759063_100010269958 [0,2,0,0,0,0|0,0,2]=4 15326 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000766709_100000685027 [0,2,0,0,0,0|0,0,2]=4 15327 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000759063_100010269958 [0,2,0,0,0,0|0,0,2]=4 15328 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000766709_100011215641 [0,2,0,0,0,0|0,0,2]=4 15329 B12R0.234 C#CCCCCOCCCC(=O)N 34a_100000766709_100102525003 [0,2,0,0,0,0|0,0,2]=4 15330 B12R0.234 C#CCCCCOCCCC(=O)N 7a_100000766709_100102525003 [0,2,0,0,0,0|0,0,2]=4 15331 B12R0.234 C#CCCCCOCCCC(C)C 34a_100000210774_100010269958 [0,2,0,0,0,0|1,0,1]=4 15332 B12R0.234 C#CCCCCOCCCC(C)C 34a_100000766709_100011214892 [0,2,0,0,0,0|1,0,1]=4 15333 B12R0.234 C#CCCCCOCCCC(C)C 7a_100000210774_100010269958 [0,2,0,0,0,0|1,0,1]=4 15334 B12R0.234 C#CCCCCOCCCC(C)C 7a_100000766709_100011214892 [0,2,0,0,0,0|1,0,1]=4 15335 B12R0.234 C#CCCCCOCCCC(C)O 34a_100000766709_200000718107 [0,2,0,0,0,0|1,0,1]=4 15336 B12R0.234 C#CCCCCOCCCC(C)O 7a_100000766709_200000718107 [0,2,0,0,0,0|1,0,1]=4 15337 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100010269958_100011215641 [0,2,0,0,0,0|0,0,2]=4 15338 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100011215641_100010269958 [0,2,0,0,0,0|0,0,2]=4 15339 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100010269958_100102525003 [0,2,0,0,0,0|0,0,2]=4 15340 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100102525003_100010269958 [0,2,0,0,0,0|0,0,2]=4 15341 B12R0.234 C#CCCCCSCCCC(C)C 62a_100010269958_100011214892 [0,2,0,0,0,0|1,0,1]=4 15342 B12R0.234 C#CCCCCSCCCC(C)C 62a_100011214892_100010269958 [0,2,0,0,0,0|1,0,1]=4 15343 B12R0.234 C#CCCCCSCCCC(C)O 62a_100010269958_200000718107 [0,2,0,0,0,0|1,0,1]=4 15344 B12R0.234 C#CCCCCSCCCC(C)O 62a_200000718107_100010269958 [0,2,0,0,0,0|1,0,1]=4 15345 B12R0.234 C#CCCCNCCCCC(=O)C 34a_100000718082_100009817362 [0,2,0,0,0,0|0,0,2]=4 15346 B12R0.234 C#CCCCNCCCCC(=O)N 34a_100000696515_100000695029 [0,2,0,0,0,0|0,0,2]=4 15347 B12R0.234 C#CCCCNCCCCC(C)C 34a_100000718082_100011216152 [0,2,0,0,0,0|1,0,1]=4 15348 B12R0.234 C#CCCCOCCCCC(=O)C 34a_100000215630_100009817362 [0,2,0,0,0,0|0,0,2]=4 15349 B12R0.234 C#CCCCOCCCCC(=O)C 7a_100000215630_100000735457 [0,2,0,0,0,0|0,0,2]=4 15350 B12R0.234 C#CCCCOCCCCC(=O)N 34a_100012022536_100000695029 [0,2,0,0,0,0|0,0,2]=4 15351 B12R0.234 C#CCCCOCCCCC(=O)N 7a_100012022536_100011215417 [0,2,0,0,0,0|0,0,2]=4 15352 B12R0.234 C#CCCCOCCCCC(C)C 34a_100000215630_100011216152 [0,2,0,0,0,0|1,0,1]=4 15353 B12R0.234 C#CCCCOCCCCC(C)C 34a_100011214890_100000695029 [0,2,0,0,0,0|1,0,1]=4 15354 B12R0.234 C#CCCCOCCCCC(C)C 7a_100000215630_100011216152 [0,2,0,0,0,0|1,0,1]=4 15355 B12R0.234 C#CCCCOCCCCC(C)C 7a_100011214890_100011215417 [0,2,0,0,0,0|1,0,1]=4 15356 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100000735457_100011215417 [0,2,0,0,0,0|0,0,2]=4 15357 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100011215417_100000735457 [0,2,0,0,0,0|0,0,2]=4 15358 B12R0.234 C#CCCCSCCCCC(C)C 62a_100011215417_100011216152 [0,2,0,0,0,0|1,0,1]=4 15359 B12R0.234 C#CCCCSCCCCC(C)C 62a_100011216152_100011215417 [0,2,0,0,0,0|1,0,1]=4 15360 B12R0.234 C#CCCNCCCCCC(=O)N 34a_100000755551_100009817443 [0,2,0,0,0,0|0,0,2]=4 15361 B12R0.234 C#CCCNCCCCCC(C)C 2230a_100011290863_100000688953 [0,2,0,0,0,0|1,0,1]=4 15362 B12R0.234 C#CCCNCCCCCC(C)C 34a_100000755551_100000210682 [0,2,0,0,0,0|1,0,1]=4 15363 B12R0.234 C#CCCNCCCCCC(C)C 34a_100011290863_100000688953 [0,2,0,0,0,0|1,0,1]=4 15364 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100000123541_100000688953 [0,2,0,0,0,0|0,0,2]=4 15365 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100011215631_100009817443 [0,2,0,0,0,0|0,0,2]=4 15366 B12R0.234 C#CCCOCCCCCC(=O)N 7a_100000123541_100000688953 [0,2,0,0,0,0|0,0,2]=4 15367 B12R0.234 C#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000688953 [0,2,0,0,0,0|0,0,2]=4 15368 B12R0.234 C#CCCOCCCCCC(C)C 34a_100011215631_100000210682 [0,2,0,0,0,0|1,0,1]=4 15369 B12R0.234 C#CCCOCCCCCC(C)C 34a_100011995859_100000688953 [0,2,0,0,0,0|1,0,1]=4 15370 B12R0.234 C#CCCOCCCCCC(C)C 7a_100011995859_100000688953 [0,2,0,0,0,0|1,0,1]=4 15371 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100000688953_100009817443 [0,2,0,0,0,0|0,0,2]=4 15372 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100009817443_100000688953 [0,2,0,0,0,0|0,0,2]=4 15373 B12R0.234 C#CCCSCCCCCC(C)C 62a_100000210682_100000688953 [0,2,0,0,0,0|1,0,1]=4 15374 B12R0.234 C#CCCSCCCCCC(C)C 62a_100000688953_100000210682 [0,2,0,0,0,0|1,0,1]=4 15375 B12R0.234 C#CCNCCCCCCC(C)C 2230a_100000211014_100000038162 [0,2,0,0,0,0|1,0,1]=4 15376 B12R0.234 C#CCNCCCCCCC(C)C 34a_100000211014_100000184674 [0,2,0,0,0,0|1,0,1]=4 15377 B12R0.234 C/C=C/CCOCCCCC(=O)C 34a_100016278192_100009817362 [0,2,0,0,0,0|0,0,2]=4 15378 B12R0.234 C/C=C/CCOCCCCC(C)C 34a_100016278192_100011216152 [0,2,0,0,0,0|1,0,1]=4 15379 B12R0.234 C/C=C/CNCCCCCC(C)C 34a_100011290863_100102629194 [0,2,0,0,0,0|1,0,1]=4 15380 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100000123541_100102629194 [0,2,0,0,0,0|0,0,2]=4 15381 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100016270725_100009817443 [0,2,0,0,0,0|0,0,2]=4 15382 B12R0.234 C/C=C/COCCCCCC(=O)N 7a_100000123541_100102629194 [0,2,0,0,0,0|0,0,2]=4 15383 B12R0.234 C/C=C/COCCCCCC(=O)[O-] 7a_100102619762_100102629194 [0,2,0,0,0,0|0,0,2]=4 15384 B12R0.234 C/C=C/COCCCCCC(C)C 34a_100011995859_100102629194 [0,2,0,0,0,0|1,0,1]=4 15385 B12R0.234 C/C=C/COCCCCCC(C)C 34a_100016270725_100000210682 [0,2,0,0,0,0|1,0,1]=4 15386 B12R0.234 C/C=C/COCCCCCC(C)C 7a_100011995859_100102629194 [0,2,0,0,0,0|1,0,1]=4 15387 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100009817443_100102629194 [0,2,0,0,0,0|0,0,2]=4 15388 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100102629194_100009817443 [0,2,0,0,0,0|0,0,2]=4 15389 B12R0.234 C/C=C/CSCCCCCC(C)C 62a_100000210682_100102629194 [0,2,0,0,0,0|1,0,1]=4 15390 B12R0.234 C/C=C/CSCCCCCC(C)C 62a_100102629194_100000210682 [0,2,0,0,0,0|1,0,1]=4 15391 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [0,2,0,0,0,0|1,0,0]=3 15392 B12R0.234 C=C(Br)CCOCCCCCCF 34a_100009813270_100015922095 [0,2,0,0,0,0|2,0,0]=4 15393 B12R0.234 C=C(Br)CCOCCCCCCO 34a_100009813270_100000766143 [0,2,0,0,0,0|2,0,0]=4 15394 B12R0.234 C=C(Br)CCOCCOCCCC 34a_100009813270_100000743108 [0,2,0,0,0,0|2,0,0]=4 15395 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,2,0,0,0,0|1,0,0]=3 15396 B12R0.234 C=C(C)CCNCCCCCCO 2230a_100000686447_100000730704 [0,2,0,0,0,0|2,0,0]=4 15397 B12R0.234 C=C(C)CCNCCCCCCO 34a_100000686447_100000730704 [0,2,0,0,0,0|2,0,0]=4 15398 B12R0.234 C=C(C)CCNCCCCCOC 2230a_100000747528_100000730704 [0,2,0,0,0,0|2,0,0]=4 15399 B12R0.234 C=C(C)CCNCCCCCOC 34a_100000747528_100000730704 [0,2,0,0,0,0|2,0,0]=4 15400 B12R0.234 C=C(C)CCNCCCOCCC 2230a_100011217757_100000730704 [0,2,0,0,0,0|2,0,0]=4 15401 B12R0.234 C=C(C)CCNCCCOCCC 34a_100011217757_100000730704 [0,2,0,0,0,0|2,0,0]=4 15402 B12R0.234 C=C(C)CCNCCSCCCC 2230a_100025743550_100000730704 [0,2,0,0,0,0|2,0,0]=4 15403 B12R0.234 C=C(C)CCOCCCCCCBr 34a_100011215345_100000730704 [0,2,0,0,0,0|2,0,0]=4 15404 B12R0.234 C=C(C)CCOCCCCCCBr 7a_100011215345_100000730704 [0,2,0,0,0,0|2,0,0]=4 15405 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,2,0,0,0,0|1,0,0]=3 15406 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,2,0,0,0,0|1,0,0]=3 15407 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,2,0,0,0,0|1,0,0]=3 15408 B12R0.234 C=C(C)CCOCCCCCCCl 34a_100000766143_100000730704 [0,2,0,0,0,0|2,0,0]=4 15409 B12R0.234 C=C(C)CCOCCCCCCCl 7a_100000766143_100000730704 [0,2,0,0,0,0|2,0,0]=4 15410 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000732779_100000730704 [0,2,0,0,0,0|2,0,0]=4 15411 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000764851_100015922095 [0,2,0,0,0,0|2,0,0]=4 15412 B12R0.234 C=C(C)CCOCCCCCCF 7a_100000732779_100000730704 [0,2,0,0,0,0|2,0,0]=4 15413 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [0,2,0,0,0,0|2,0,0]=4 15414 B12R0.234 C=C(C)CCOCCCCCCO 34a_100000764851_100000766143 [0,2,0,0,0,0|2,0,0]=4 15415 B12R0.234 C=C(C)CCOCCCCCNC 34a_100000722520_100000730704 [0,2,0,0,0,0|2,0,0]=4 15416 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000210238_100000730704 [0,2,0,0,0,0|2,0,0]=4 15417 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000764851_100000743108 [0,2,0,0,0,0|2,0,0]=4 15418 B12R0.234 C=C(C)CCOCCOCCCC 7a_100000210238_100000730704 [0,2,0,0,0,0|2,0,0]=4 15419 B12R0.234 C=C(C)CCOCCSCCCC 34a_200000230436_100000730704 [0,2,0,0,0,0|2,0,0]=4 15420 B12R0.234 C=C(C)CCOCCSCCCC 7a_200000230436_100000730704 [0,2,0,0,0,0|2,0,0]=4 15421 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000139337_100000730704 [0,2,0,0,0,0|0,0,1]=3 15422 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000730704_100000139337 [0,2,0,0,0,0|0,0,1]=3 15423 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,2,0,0,0,0|1,0,0]=3 15424 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,2,0,0,0,0|1,0,0]=3 15425 B12R0.234 C=C(C)CCSCCCCCCF 62a_100000730704_100015922095 [0,2,0,0,0,0|2,0,0]=4 15426 B12R0.234 C=C(C)CCSCCCCCCF 62a_100015922095_100000730704 [0,2,0,0,0,0|2,0,0]=4 15427 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000730704_100000766143 [0,2,0,0,0,0|2,0,0]=4 15428 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000766143_100000730704 [0,2,0,0,0,0|2,0,0]=4 15429 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000730704_100000743108 [0,2,0,0,0,0|2,0,0]=4 15430 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000743108_100000730704 [0,2,0,0,0,0|2,0,0]=4 15431 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,2,0,0,0,0|1,0,0]=3 15432 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,2,0,0,0,0|1,0,0]=3 15433 B12R0.234 C=C(C)CNCCCCCCCO 2230a_100011996573_100000748629 [0,2,0,0,0,0|2,0,0]=4 15434 B12R0.234 C=C(C)CNCCCCCCCO 34a_100011996573_100000748629 [0,2,0,0,0,0|2,0,0]=4 15435 B12R0.234 C=C(C)CNCCCOCCCC 2230a_200000211371_100000748629 [0,2,0,0,0,0|2,0,0]=4 15436 B12R0.234 C=C(C)CNCCCOCCCC 34a_200000211371_100000748629 [0,2,0,0,0,0|2,0,0]=4 15437 B12R0.234 C=C(C)COCCCCCCCBr 34a_100000760002_100000748629 [0,2,0,0,0,0|2,0,0]=4 15438 B12R0.234 C=C(C)COCCCCCCCBr 7a_100000760002_100000748629 [0,2,0,0,0,0|2,0,0]=4 15439 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,2,0,0,0,0|1,0,0]=3 15440 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,2,0,0,0,0|1,0,0]=3 15441 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,2,0,0,0,0|1,0,0]=3 15442 B12R0.234 C=C(C)COCCCCCCCN 34a_100011996573_100000748629 [0,2,0,0,0,0|2,0,0]=4 15443 B12R0.234 C=C(C)COCCCCCCCO 34a_100000210245_100000760002 [0,2,0,0,0,0|2,0,0]=4 15444 B12R0.234 C=C(C)COCCCCCCOC 34a_100000210245_100011998445 [0,2,0,0,0,0|2,0,0]=4 15445 B12R0.234 C=C(C)COCCCCCCOC 34a_200012092642_100000748629 [0,2,0,0,0,0|2,0,0]=4 15446 B12R0.234 C=C(C)COCCCCCCOC 7a_200012092642_100000748629 [0,2,0,0,0,0|2,0,0]=4 15447 B12R0.234 C=C(C)COCCCOCCCC 34a_200011215613_100000748629 [0,2,0,0,0,0|2,0,0]=4 15448 B12R0.234 C=C(C)COCCCOCCCC 7a_200011215613_100000748629 [0,2,0,0,0,0|2,0,0]=4 15449 B12R0.234 C=C(C)COCCNCCCCC 34a_100000224656_100000748629 [0,2,0,0,0,0|2,0,0]=4 15450 B12R0.234 C=C(C)COCCOCCCCC 34a_100011215259_100000748629 [0,2,0,0,0,0|2,0,0]=4 15451 B12R0.234 C=C(C)COCCOCCCCC 7a_100011215259_100000748629 [0,2,0,0,0,0|2,0,0]=4 15452 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,2,0,0,0,0|1,0,0]=3 15453 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,2,0,0,0,0|1,0,0]=3 15454 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000748629_100000760002 [0,2,0,0,0,0|2,0,0]=4 15455 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000760002_100000211660 [0,2,0,0,0,0|2,0,0]=4 15456 B12R0.234 C=C(C)CSCCCCCCOC 62a_100000748629_100011998445 [0,2,0,0,0,0|2,0,0]=4 15457 B12R0.234 C=C(C)CSCCCCCCOC 62a_100011998445_100000211660 [0,2,0,0,0,0|2,0,0]=4 15458 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [0,2,0,0,0,0|1,0,0]=3 15459 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [0,2,0,0,0,0|1,0,0]=3 15460 B12R0.234 C=C(F)CNCCCCCCCO 2230a_100011996573_100009893438 [0,2,0,0,0,0|2,0,0]=4 15461 B12R0.234 C=C(F)CNCCCCCCCO 34a_100011996573_100009893438 [0,2,0,0,0,0|2,0,0]=4 15462 B12R0.234 C=C(F)CNCCCOCCCC 2230a_200000211371_100009893438 [0,2,0,0,0,0|2,0,0]=4 15463 B12R0.234 C=C(F)CNCCCOCCCC 34a_200000211371_100009893438 [0,2,0,0,0,0|2,0,0]=4 15464 B12R0.234 C=C(F)COCCCCCCCBr 34a_100000760002_100009893438 [0,2,0,0,0,0|2,0,0]=4 15465 B12R0.234 C=C(F)COCCCCCCCBr 7a_100000760002_100000042424 [0,2,0,0,0,0|2,0,0]=4 15466 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,2,0,0,0,0|1,0,0]=3 15467 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,2,0,0,0,0|1,0,0]=3 15468 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,2,0,0,0,0|1,0,0]=3 15469 B12R0.234 C=C(F)COCCCCCCCN 34a_100011996573_100009893438 [0,2,0,0,0,0|2,0,0]=4 15470 B12R0.234 C=C(F)COCCCCCCCO 34a_200010262243_100000760002 [0,2,0,0,0,0|2,0,0]=4 15471 B12R0.234 C=C(F)COCCCCCCOC 34a_200010262243_100011998445 [0,2,0,0,0,0|2,0,0]=4 15472 B12R0.234 C=C(F)COCCCCCCOC 34a_200012092642_100009893438 [0,2,0,0,0,0|2,0,0]=4 15473 B12R0.234 C=C(F)COCCCCCCOC 7a_200012092642_100000042424 [0,2,0,0,0,0|2,0,0]=4 15474 B12R0.234 C=C(F)COCCCOCCCC 34a_200011215613_100009893438 [0,2,0,0,0,0|2,0,0]=4 15475 B12R0.234 C=C(F)COCCCOCCCC 7a_200011215613_100000042424 [0,2,0,0,0,0|2,0,0]=4 15476 B12R0.234 C=C(F)COCCNCCCCC 34a_100000224656_100009893438 [0,2,0,0,0,0|2,0,0]=4 15477 B12R0.234 C=C(F)COCCOCCCCC 34a_100011215259_100009893438 [0,2,0,0,0,0|2,0,0]=4 15478 B12R0.234 C=C(F)COCCOCCCCC 7a_100011215259_100000042424 [0,2,0,0,0,0|2,0,0]=4 15479 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [0,2,0,0,0,0|1,0,0]=3 15480 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [0,2,0,0,0,0|1,0,0]=3 15481 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000042424_100000760002 [0,2,0,0,0,0|2,0,0]=4 15482 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000760002_100000042424 [0,2,0,0,0,0|2,0,0]=4 15483 B12R0.234 C=C(F)CSCCCCCCOC 62a_100000042424_100011998445 [0,2,0,0,0,0|2,0,0]=4 15484 B12R0.234 C=C(F)CSCCCCCCOC 62a_100011998445_100000042424 [0,2,0,0,0,0|2,0,0]=4 15485 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,2,0,0,0,0|0,0,1]=3 15486 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,2,0,0,0,0|0,0,1]=3 15487 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,2,0,0,0,0|0,0,1]=3 15488 B12R0.234 C=CCCCCCCCCN(C)C 2230a_100102631434_100011933949 [0,2,0,0,0,0|1,0,0]=3 15489 B12R0.234 C=CCCCCCCCCN(C)C 269982a_100102631434_100011933949 [0,2,0,0,0,0|1,0,0]=3 15490 B12R0.234 C=CCCCCCCCNC(C)C 2230a_100138425928_100012355270 [0,2,0,0,0,0|1,0,0]=3 15491 B12R0.234 C=CCCCCCCCNC(C)C 34a_100138425928_100012355270 [0,2,0,0,0,0|1,0,0]=3 15492 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000212225_100012355270 [0,2,0,0,0,0|1,0,0]=3 15493 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000730831_100000210206 [0,2,0,0,0,0|1,0,0]=3 15494 B12R0.234 C=CCCCCCCCOC(C)C 7a_100000730831_100000210206 [0,2,0,0,0,0|1,0,0]=3 15495 B12R0.234 C=CCCCCCCCSC(C)C 62a_100000210206_100012355270 [0,2,0,0,0,0|1,0,0]=3 15496 B12R0.234 C=CCCCCCCCSC(C)C 62a_100012355270_100000210206 [0,2,0,0,0,0|1,0,0]=3 15497 B12R0.234 C=CCCCCCCNCC(=O)N 2230a_100000711301_100011215473 [0,2,0,0,0,0|0,0,2]=4 15498 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [0,2,0,0,0,0|0,0,2]=4 15499 B12R0.234 C=CCCCCCCNCC(C)C 2230a_100000210953_100011215473 [0,2,0,0,0,0|1,0,0]=3 15500 B12R0.234 C=CCCCCCCNCC(C)C 34a_100000210953_100011215473 [0,2,0,0,0,0|1,0,0]=3 15501 B12R0.234 C=CCCCCCCNCC(C)O 2230a_100000210904_100011215473 [0,2,0,0,0,0|1,0,0]=3 15502 B12R0.234 C=CCCCCCCNCC(C)O 34a_100000210904_100011215473 [0,2,0,0,0,0|1,0,0]=3 15503 B12R0.234 C=CCCCCCCNCC(F)F 34a_100000765723_100011215473 [0,2,0,0,0,0|2,0,0]=4 15504 B12R0.234 C=CCCCCCCOCC(=C)C 34a_100000210245_100011215473 [0,2,0,0,0,0|1,0,1]=4 15505 B12R0.234 C=CCCCCCCOCC(=C)C 34a_200011216477_100000748629 [0,2,0,0,0,0|1,0,1]=4 15506 B12R0.234 C=CCCCCCCOCC(=C)C 7a_200011216477_100000748629 [0,2,0,0,0,0|1,0,1]=4 15507 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [0,2,0,0,0,0|0,0,2]=4 15508 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [0,2,0,0,0,0|0,0,2]=4 15509 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [0,2,0,0,0,0|0,0,2]=4 15510 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [0,2,0,0,0,0|0,0,2]=4 15511 B12R0.234 C=CCCCCCCOCC(C)Br 34a_100012180447_100011215473 [0,2,0,0,0,0|1,0,0]=3 15512 B12R0.234 C=CCCCCCCOCC(C)C 34a_100000210257_100011215473 [0,2,0,0,0,0|1,0,0]=3 15513 B12R0.234 C=CCCCCCCOCC(C)C 34a_200011216477_100000210624 [0,2,0,0,0,0|1,0,0]=3 15514 B12R0.234 C=CCCCCCCOCC(C)C 7a_200011216477_100000210760 [0,2,0,0,0,0|1,0,0]=3 15515 B12R0.234 C=CCCCCCCOCC(C)F 34a_100015925927_100011215473 [0,2,0,0,0,0|1,0,0]=3 15516 B12R0.234 C=CCCCCCCOCC(C)O 34a_200011216477_100011218427 [0,2,0,0,0,0|1,0,0]=3 15517 B12R0.234 C=CCCCCCCOCC(C)O 7a_200011216477_100011218427 [0,2,0,0,0,0|1,0,0]=3 15518 B12R0.234 C=CCCCCCCOCC(F)F 34a_100000743014_100011215473 [0,2,0,0,0,0|2,0,0]=4 15519 B12R0.234 C=CCCCCCCOCC(F)F 34a_200011216477_100011934356 [0,2,0,0,0,0|2,0,0]=4 15520 B12R0.234 C=CCCCCCCOCC(F)F 7a_200011216477_100011934356 [0,2,0,0,0,0|2,0,0]=4 15521 B12R0.234 C=CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215473 [0,2,0,0,0,0|1,0,0]=3 15522 B12R0.234 C=CCCCCCCOC[C@@H](C)N 34a_100000737577_100011215473 [0,2,0,0,0,0|1,0,0]=3 15523 B12R0.234 C=CCCCCCCOC[C@@H](C)O 34a_200011216477_100009817552 [0,2,0,0,0,0|1,0,0]=3 15524 B12R0.234 C=CCCCCCCOC[C@@H](C)O 7a_200011216477_100009817552 [0,2,0,0,0,0|1,0,0]=3 15525 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100000748629_100011215473 [0,2,0,0,0,0|1,0,1]=4 15526 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100011215473_100000211660 [0,2,0,0,0,0|1,0,1]=4 15527 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100000747473_100011215473 [0,2,0,0,0,0|0,0,2]=4 15528 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100011215473_100000747473 [0,2,0,0,0,0|0,0,2]=4 15529 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100011215473_100020667443 [0,2,0,0,0,0|0,0,2]=4 15530 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100020667443_100011215473 [0,2,0,0,0,0|0,0,2]=4 15531 B12R0.234 C=CCCCCCCSCC(C)C 62a_100000210624_100011215473 [0,2,0,0,0,0|1,0,0]=3 15532 B12R0.234 C=CCCCCCCSCC(C)C 62a_100011215473_100000210760 [0,2,0,0,0,0|1,0,0]=3 15533 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011215473_100011218427 [0,2,0,0,0,0|1,0,0]=3 15534 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011218427_100011215473 [0,2,0,0,0,0|1,0,0]=3 15535 B12R0.234 C=CCCCCCCSCC(F)F 62a_100011215473_100011934356 [0,2,0,0,0,0|2,0,0]=4 15536 B12R0.234 C=CCCCCCCSCC(F)F 62a_100011934356_100011215473 [0,2,0,0,0,0|2,0,0]=4 15537 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100009817552_100011215473 [0,2,0,0,0,0|1,0,0]=3 15538 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100011215473_100009817552 [0,2,0,0,0,0|1,0,0]=3 15539 B12R0.234 C=CCCCCCNCCC(C)O 2230a_200000755665_100000700193 [0,2,0,0,0,0|1,0,0]=3 15540 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100000764851_100000700193 [0,2,0,0,0,0|1,0,1]=4 15541 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100011216702_100000730704 [0,2,0,0,0,0|1,0,1]=4 15542 B12R0.234 C=CCCCCCOCCC(=C)C 7a_100011216702_100000730704 [0,2,0,0,0,0|1,0,1]=4 15543 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [0,2,0,0,0,0|0,0,2]=4 15544 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [0,2,0,0,0,0|0,0,2]=4 15545 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [0,2,0,0,0,0|0,0,2]=4 15546 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100000757172_100000700193 [0,2,0,0,0,0|0,0,2]=4 15547 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100011216702_100000731001 [0,2,0,0,0,0|0,0,2]=4 15548 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100000757172_100000700193 [0,2,0,0,0,0|0,0,2]=4 15549 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100011216702_100000744528 [0,2,0,0,0,0|0,0,2]=4 15550 B12R0.234 C=CCCCCCOCCC(C)Br 34a_100009893172_100000700193 [0,2,0,0,0,0|1,0,0]=3 15551 B12R0.234 C=CCCCCCOCCC(C)C 34a_100000210254_100000700193 [0,2,0,0,0,0|1,0,0]=3 15552 B12R0.234 C=CCCCCCOCCC(C)C 34a_100011216702_100000210312 [0,2,0,0,0,0|1,0,0]=3 15553 B12R0.234 C=CCCCCCOCCC(C)C 7a_100000210254_100000700193 [0,2,0,0,0,0|1,0,0]=3 15554 B12R0.234 C=CCCCCCOCCC(C)C 7a_100011216702_100000210626 [0,2,0,0,0,0|1,0,0]=3 15555 B12R0.234 C=CCCCCCOCCC(C)O 34a_100011216702_100012276601 [0,2,0,0,0,0|1,0,0]=3 15556 B12R0.234 C=CCCCCCOCCC(C)O 7a_100011216702_100012276601 [0,2,0,0,0,0|1,0,0]=3 15557 B12R0.234 C=CCCCCCOCCC(F)F 34a_100103093639_100000700193 [0,2,0,0,0,0|2,0,0]=4 15558 B12R0.234 C=CCCCCCOCCN(C)C 7a_100011216702_100000755713 [0,2,0,0,0,0|2,0,0]=4 15559 B12R0.234 C=CCCCCCOCC[C@@H](C)N 34a_100000706166_100000700193 [0,2,0,0,0,0|1,0,0]=3 15560 B12R0.234 C=CCCCCCOCOC(C)C 34a_100011216702_100000709892 [0,2,0,0,0,0|2,0,0]=4 15561 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000700193_100000730704 [0,2,0,0,0,0|1,0,1]=4 15562 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000730704_100000700193 [0,2,0,0,0,0|1,0,1]=4 15563 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [0,2,0,0,0,0|0,0,2]=4 15564 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [0,2,0,0,0,0|0,0,2]=4 15565 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000700193_100000744528 [0,2,0,0,0,0|0,0,2]=4 15566 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000744528_100000700193 [0,2,0,0,0,0|0,0,2]=4 15567 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000210312_100000700193 [0,2,0,0,0,0|1,0,0]=3 15568 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000700193_100000210312 [0,2,0,0,0,0|1,0,0]=3 15569 B12R0.234 C=CCCCCCSCCC(C)O 62a_100000700193_100012276601 [0,2,0,0,0,0|1,0,0]=3 15570 B12R0.234 C=CCCCCCSCCC(C)O 62a_100012276601_100000700193 [0,2,0,0,0,0|1,0,0]=3 15571 B12R0.234 C=CCCCCCSCCN(C)C 62a_100000700193_100000755713 [0,2,0,0,0,0|2,0,0]=4 15572 B12R0.234 C=CCCCCCSCOC(C)C 62a_100000700193_100000709892 [0,2,0,0,0,0|2,0,0]=4 15573 B12R0.234 C=CCCCCCSCOC(C)C 62a_100000709892_100000700193 [0,2,0,0,0,0|2,0,0]=4 15574 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [0,2,0,0,0,0|0,0,2]=4 15575 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000703577_100102525003 [0,2,0,0,0,0|0,0,2]=4 15576 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000739312_100011215482 [0,2,0,0,0,0|0,0,2]=4 15577 B12R0.234 C=CCCCCNCCCC(C)C 2230a_100000703577_100011214892 [0,2,0,0,0,0|1,0,0]=3 15578 B12R0.234 C=CCCCCNCCCC(C)C 2230a_200000737386_100011215482 [0,2,0,0,0,0|1,0,0]=3 15579 B12R0.234 C=CCCCCNCCCC(C)C 34a_100000703577_100011214892 [0,2,0,0,0,0|1,0,0]=3 15580 B12R0.234 C=CCCCCNCCCC(C)C 34a_200000737386_100011215482 [0,2,0,0,0,0|1,0,0]=3 15581 B12R0.234 C=CCCCCNCCCC(C)O 2230a_100000703577_200000718107 [0,2,0,0,0,0|1,0,0]=3 15582 B12R0.234 C=CCCCCNCCCC(C)O 34a_100000703577_200000718107 [0,2,0,0,0,0|1,0,0]=3 15583 B12R0.234 C=CCCCCNCCCS(=O)C 2230a_200000753449_100011215482 [0,2,0,0,0,0|2,0,0]=4 15584 B12R0.234 C=CCCCCNCCOC(C)C 2230a_100000701111_100011215482 [0,2,0,0,0,0|2,0,0]=4 15585 B12R0.234 C=CCCCCNCCOC(C)C 2230a_100000703577_100000211751 [0,2,0,0,0,0|2,0,0]=4 15586 B12R0.234 C=CCCCCNCCOC(C)C 34a_100000701111_100011215482 [0,2,0,0,0,0|2,0,0]=4 15587 B12R0.234 C=CCCCCNCCOC(C)C 34a_100000703577_100000211751 [0,2,0,0,0,0|2,0,0]=4 15588 B12R0.234 C=CCCCCNCCSC(C)C 2230a_100000703577_100000730970 [0,2,0,0,0,0|2,0,0]=4 15589 B12R0.234 C=CCCCCNCCSC(C)C 2230a_100000731138_100011215482 [0,2,0,0,0,0|2,0,0]=4 15590 B12R0.234 C=CCCCCNCCSC(C)C 34a_100000703577_100000730970 [0,2,0,0,0,0|2,0,0]=4 15591 B12R0.234 C=CCCCCNCCSC(C)C 34a_100000731138_100011215482 [0,2,0,0,0,0|2,0,0]=4 15592 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [0,2,0,0,0,0|0,0,2]=4 15593 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [0,2,0,0,0,0|0,0,2]=4 15594 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [0,2,0,0,0,0|0,0,2]=4 15595 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [0,2,0,0,0,0|0,0,2]=4 15596 B12R0.234 C=CCCCCOCCCC(=O)N 34a_100000766645_100102525003 [0,2,0,0,0,0|0,0,2]=4 15597 B12R0.234 C=CCCCCOCCCC(=O)N 7a_100000766645_100102525003 [0,2,0,0,0,0|0,0,2]=4 15598 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000210774_100011215482 [0,2,0,0,0,0|1,0,0]=3 15599 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000766645_100011214892 [0,2,0,0,0,0|1,0,0]=3 15600 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000210774_100011215482 [0,2,0,0,0,0|1,0,0]=3 15601 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000766645_100011214892 [0,2,0,0,0,0|1,0,0]=3 15602 B12R0.234 C=CCCCCOCCCC(C)O 34a_100000766645_200000718107 [0,2,0,0,0,0|1,0,0]=3 15603 B12R0.234 C=CCCCCOCCCC(C)O 7a_100000766645_200000718107 [0,2,0,0,0,0|1,0,0]=3 15604 B12R0.234 C=CCCCCOCCCN(C)C 7a_100000766645_100000757444 [0,2,0,0,0,0|2,0,0]=4 15605 B12R0.234 C=CCCCCOCCNC(C)C 34a_100000224655_100011215482 [0,2,0,0,0,0|2,0,0]=4 15606 B12R0.234 C=CCCCCOCCOC(C)C 34a_100000211219_100011215482 [0,2,0,0,0,0|2,0,0]=4 15607 B12R0.234 C=CCCCCOCCOC(C)C 34a_100000766645_100000211751 [0,2,0,0,0,0|2,0,0]=4 15608 B12R0.234 C=CCCCCOCCOC(C)C 7a_100000211219_100011215482 [0,2,0,0,0,0|2,0,0]=4 15609 B12R0.234 C=CCCCCOCCOC(C)C 7a_100000766645_100000211751 [0,2,0,0,0,0|2,0,0]=4 15610 B12R0.234 C=CCCCCOCCSC(C)C 34a_100000766645_100000730970 [0,2,0,0,0,0|2,0,0]=4 15611 B12R0.234 C=CCCCCOCCSC(C)C 34a_200011212901_100011215482 [0,2,0,0,0,0|2,0,0]=4 15612 B12R0.234 C=CCCCCOCCSC(C)C 7a_100000766645_100000730970 [0,2,0,0,0,0|2,0,0]=4 15613 B12R0.234 C=CCCCCOCCSC(C)C 7a_200011212901_100011215482 [0,2,0,0,0,0|2,0,0]=4 15614 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [0,2,0,0,0,0|0,0,2]=4 15615 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [0,2,0,0,0,0|0,0,2]=4 15616 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100011215482_100102525003 [0,2,0,0,0,0|0,0,2]=4 15617 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100102525003_100011215482 [0,2,0,0,0,0|0,0,2]=4 15618 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011214892_100011215482 [0,2,0,0,0,0|1,0,0]=3 15619 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011215482_100011214892 [0,2,0,0,0,0|1,0,0]=3 15620 B12R0.234 C=CCCCCSCCCC(C)O 62a_100011215482_200000718107 [0,2,0,0,0,0|1,0,0]=3 15621 B12R0.234 C=CCCCCSCCCC(C)O 62a_200000718107_100011215482 [0,2,0,0,0,0|1,0,0]=3 15622 B12R0.234 C=CCCCCSCCCN(C)C 62a_100011215482_100000757444 [0,2,0,0,0,0|2,0,0]=4 15623 B12R0.234 C=CCCCCSCCOC(C)C 62a_100000211751_100011215482 [0,2,0,0,0,0|2,0,0]=4 15624 B12R0.234 C=CCCCCSCCOC(C)C 62a_100011215482_100000211751 [0,2,0,0,0,0|2,0,0]=4 15625 B12R0.234 C=CCCCCSCCSC(C)C 62a_100000730970_100011215482 [0,2,0,0,0,0|2,0,0]=4 15626 B12R0.234 C=CCCCCSCCSC(C)C 62a_100011215482_100000730970 [0,2,0,0,0,0|2,0,0]=4 15627 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [0,2,0,0,0,0|0,0,2]=4 15628 B12R0.234 C=CCCCNCCCCC(=O)N 34a_100000696515_100000757094 [0,2,0,0,0,0|0,0,2]=4 15629 B12R0.234 C=CCCCNCCCCC(C)C 2230a_100000700776_100011216152 [0,2,0,0,0,0|1,0,0]=3 15630 B12R0.234 C=CCCCNCCCCC(C)C 34a_100000700776_100011216152 [0,2,0,0,0,0|1,0,0]=3 15631 B12R0.234 C=CCCCNCCCOC(C)C 2230a_100000737246_100011713584 [0,2,0,0,0,0|2,0,0]=4 15632 B12R0.234 C=CCCCNCCCOC(C)C 34a_100000737246_100000757094 [0,2,0,0,0,0|2,0,0]=4 15633 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [0,2,0,0,0,0|0,0,2]=4 15634 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [0,2,0,0,0,0|0,0,2]=4 15635 B12R0.234 C=CCCCOCCCCC(=O)N 34a_100012022536_100000757094 [0,2,0,0,0,0|0,0,2]=4 15636 B12R0.234 C=CCCCOCCCCC(=O)N 7a_100012022536_100000757094 [0,2,0,0,0,0|0,0,2]=4 15637 B12R0.234 C=CCCCOCCCCC(C)C 34a_100000758997_100011216152 [0,2,0,0,0,0|1,0,0]=3 15638 B12R0.234 C=CCCCOCCCCC(C)C 34a_100011214890_100000757094 [0,2,0,0,0,0|1,0,0]=3 15639 B12R0.234 C=CCCCOCCCCC(C)C 7a_100000758997_100011216152 [0,2,0,0,0,0|1,0,0]=3 15640 B12R0.234 C=CCCCOCCCCC(C)C 7a_100011214890_100000757094 [0,2,0,0,0,0|1,0,0]=3 15641 B12R0.234 C=CCCCOCCCNC(C)C 34a_100000182298_100000757094 [0,2,0,0,0,0|2,0,0]=4 15642 B12R0.234 C=CCCCOCCNCC(C)C 34a_100015185251_100000757094 [0,2,0,0,0,0|2,0,0]=4 15643 B12R0.234 C=CCCCOCCOCC(C)C 34a_100000703358_100000757094 [0,2,0,0,0,0|2,0,0]=4 15644 B12R0.234 C=CCCCOCCOCC(C)C 7a_100000703358_100000757094 [0,2,0,0,0,0|2,0,0]=4 15645 B12R0.234 C=CCCCOCCSCC(C)C 34a_200000230437_100000757094 [0,2,0,0,0,0|2,0,0]=4 15646 B12R0.234 C=CCCCOCCSCC(C)C 7a_200000230437_100000757094 [0,2,0,0,0,0|2,0,0]=4 15647 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [0,2,0,0,0,0|0,0,2]=4 15648 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [0,2,0,0,0,0|0,0,2]=4 15649 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011216152_100000757094 [0,2,0,0,0,0|1,0,0]=3 15650 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011713584_100011216152 [0,2,0,0,0,0|1,0,0]=3 15651 B12R0.234 C=CCCCSCCCCN(C)C 62a_100011713584_100000690147 [0,2,0,0,0,0|2,0,0]=4 15652 B12R0.234 C=CCCNCCCCCC(=O)N 2230a_100015191253_100009817443 [0,2,0,0,0,0|0,0,2]=4 15653 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100011290863_100000754431 [0,2,0,0,0,0|1,0,0]=3 15654 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100015191253_100000210682 [0,2,0,0,0,0|1,0,0]=3 15655 B12R0.234 C=CCCNCCCCCC(C)C 34a_100011290863_100000754431 [0,2,0,0,0,0|1,0,0]=3 15656 B12R0.234 C=CCCNCCCOCC(C)C 2230a_100000205972_100000754431 [0,2,0,0,0,0|2,0,0]=4 15657 B12R0.234 C=CCCNCCCOCC(C)C 34a_100000205972_100000754431 [0,2,0,0,0,0|2,0,0]=4 15658 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100000123541_100000754431 [0,2,0,0,0,0|0,0,2]=4 15659 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100011205117_100009817443 [0,2,0,0,0,0|0,0,2]=4 15660 B12R0.234 C=CCCOCCCCCC(=O)N 7a_100000123541_100000754431 [0,2,0,0,0,0|0,0,2]=4 15661 B12R0.234 C=CCCOCCCCCC(=O)[O-] 7a_100102619762_100000754431 [0,2,0,0,0,0|0,0,2]=4 15662 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011205117_100000210682 [0,2,0,0,0,0|1,0,0]=3 15663 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011995859_100000754431 [0,2,0,0,0,0|1,0,0]=3 15664 B12R0.234 C=CCCOCCCCCC(C)C 7a_100011995859_100000754431 [0,2,0,0,0,0|1,0,0]=3 15665 B12R0.234 C=CCCOCCCCNC(C)C 34a_100011521146_100000754431 [0,2,0,0,0,0|2,0,0]=4 15666 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100000754431_100009817443 [0,2,0,0,0,0|0,0,2]=4 15667 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100009817443_100000754431 [0,2,0,0,0,0|0,0,2]=4 15668 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000210682_100000754431 [0,2,0,0,0,0|1,0,0]=3 15669 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000754431_100000210682 [0,2,0,0,0,0|1,0,0]=3 15670 B12R0.234 C=CCNCCCCCCC(C)C 2230a_100000211014_100000210623 [0,2,0,0,0,0|1,0,0]=3 15671 B12R0.234 C=CCNCCCCCCC(C)C 34a_100000211014_100015514636 [0,2,0,0,0,0|1,0,0]=3 15672 B12R0.234 C=CCOCCCCCNC(C)C 34a_100011629493_100015514636 [0,2,0,0,0,0|2,0,0]=4 15673 B12R0.234 C=CCOCCOCCCC(C)C 34a_100000037705_100011214892 [0,2,0,0,0,0|2,0,0]=4 15674 B12R0.234 C=CCOCCOCCCC(C)C 7a_100000037705_100011214892 [0,2,0,0,0,0|2,0,0]=4 15675 B12R0.234 C=CCOCCOCCCC(C)O 34a_100000037705_200000718107 [0,2,0,0,0,0|2,0,0]=4 15676 B12R0.234 C=CCOCCOCCCC(C)O 7a_100000037705_200000718107 [0,2,0,0,0,0|2,0,0]=4 15677 B12R0.234 C=COCCCCOCCC(C)C 34a_100000031558_100000210312 [0,2,0,0,0,0|2,0,0]=4 15678 B12R0.234 C=COCCCCOCCC(C)C 7a_100000031558_100000210626 [0,2,0,0,0,0|2,0,0]=4 15679 B12R0.234 C=COCCCCOCCC(C)O 34a_100000031558_100012276601 [0,2,0,0,0,0|2,0,0]=4 15680 B12R0.234 C=COCCCCOCCC(C)O 7a_100000031558_100012276601 [0,2,0,0,0,0|2,0,0]=4 15681 B12R0.234 C=COCCCNCCCC(C)C 2230a_100000210767_100011214892 [0,2,0,0,0,0|2,0,0]=4 15682 B12R0.234 C=COCCCNCCCC(C)C 34a_100000210767_100011214892 [0,2,0,0,0,0|2,0,0]=4 15683 B12R0.234 C=COCCCNCCCC(C)O 2230a_100000210767_200000718107 [0,2,0,0,0,0|2,0,0]=4 15684 B12R0.234 C=COCCCNCCCC(C)O 34a_100000210767_200000718107 [0,2,0,0,0,0|2,0,0]=4 15685 B12R0.234 C=COCCOCCCCC(C)C 34a_100000033082_100011216152 [0,2,0,0,0,0|2,0,0]=4 15686 B12R0.234 C=COCCOCCCCC(C)C 34a_100011214890_100000039644 [0,2,0,0,0,0|2,0,0]=4 15687 B12R0.234 C=COCCOCCCCC(C)C 7a_100011214890_100000039644 [0,2,0,0,0,0|2,0,0]=4 15688 B12R0.234 C=COCCSCCCCC(C)C 62a_100000039644_100011216152 [0,2,0,0,0,0|2,0,0]=4 15689 B12R0.234 C=COCCSCCCCC(C)C 62a_100011216152_100000039644 [0,2,0,0,0,0|2,0,0]=4 15690 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [0,2,0,0,0,0|0,0,1]=3 15691 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [0,2,0,0,0,0|0,0,1]=3 15692 B12R0.234 CC#CCCOCCCCC(=O)C 34a_100000750427_100009817362 [0,2,0,0,0,0|0,0,2]=4 15693 B12R0.234 CC#CCNCCCCCC(=O)N 2230a_100000685387_100009817443 [0,2,0,0,0,0|0,0,2]=4 15694 B12R0.234 CC#CCNCCCCCC(=O)N 34a_100000685387_100009817443 [0,2,0,0,0,0|0,0,2]=4 15695 B12R0.234 CC#CCOCCCCCC(=O)N 34a_100000123541_100000748600 [0,2,0,0,0,0|0,0,2]=4 15696 B12R0.234 CC#CCOCCCCCC(=O)N 34a_100000761923_100009817443 [0,2,0,0,0,0|0,0,2]=4 15697 B12R0.234 CC#CCOCCCCCC(=O)N 7a_100000123541_100000748600 [0,2,0,0,0,0|0,0,2]=4 15698 B12R0.234 CC#CCOCCCCCC(=O)[O-] 7a_100102619762_100000748600 [0,2,0,0,0,0|0,0,2]=4 15699 B12R0.234 CC#CCSCCCCCC(=O)N 62a_100000748600_100009817443 [0,2,0,0,0,0|0,0,2]=4 15700 B12R0.234 CC#CCSCCCCCC(=O)N 62a_100009817443_100000748600 [0,2,0,0,0,0|0,0,2]=4 15701 B12R0.234 CC(=CCCSCCCCC=O)C 62a_100000139335_100011217483 [0,2,0,0,0,0|0,0,2]=4 15702 B12R0.234 CC(=CCCSCCCCC=O)C 62a_100011217483_100000139335 [0,2,0,0,0,0|0,0,2]=4 15703 B12R0.234 CC(=CCSCCCCCC=O)C 62a_100000139337_100000761012 [0,2,0,0,0,0|0,0,2]=4 15704 B12R0.234 CC(=CCSCCCCCC=O)C 62a_100000761012_100000139337 [0,2,0,0,0,0|0,0,2]=4 15705 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,2,0,0,0,0|0,0,0]=2 15706 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,2,0,0,0,0|0,0,0]=2 15707 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,2,0,0,0,0|1,0,0]=3 15708 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,2,0,0,0,0|1,0,0]=3 15709 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,2,0,0,0,0|1,0,0]=3 15710 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,2,0,0,0,0|1,0,0]=3 15711 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,2,0,0,0,0|1,0,0]=3 15712 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,2,0,0,0,0|1,0,0]=3 15713 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,2,0,0,0,0|1,0,0]=3 15714 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,2,0,0,0,0|1,0,0]=3 15715 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000687738_100000735457 [0,2,0,0,0,0|1,0,1]=4 15716 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000735457_100000687738 [0,2,0,0,0,0|1,0,1]=4 15717 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [0,2,0,0,0,0|0,0,1]=3 15718 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [0,2,0,0,0,0|0,0,1]=3 15719 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,2,0,0,0,0|1,0,0]=3 15720 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,2,0,0,0,0|1,0,0]=3 15721 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,2,0,0,0,0|1,0,0]=3 15722 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,2,0,0,0,0|1,0,0]=3 15723 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,2,0,0,0,0|1,0,0]=3 15724 B12R0.234 CC(=O)CCCNCCOCCO 34a_100000211614_100000685027 [0,2,0,0,0,0|2,0,0]=4 15725 B12R0.234 CC(=O)CCCOCCCCC#N 7a_100000759063_100000211819 [0,2,0,0,0,0|1,0,1]=4 15726 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [0,2,0,0,0,0|0,0,1]=3 15727 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,2,0,0,0,0|1,0,0]=3 15728 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,2,0,0,0,0|1,0,0]=3 15729 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,2,0,0,0,0|1,0,0]=3 15730 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,2,0,0,0,0|1,0,0]=3 15731 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,2,0,0,0,0|1,0,0]=3 15732 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,2,0,0,0,0|1,0,0]=3 15733 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,2,0,0,0,0|1,0,0]=3 15734 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,2,0,0,0,0|1,0,0]=3 15735 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,2,0,0,0,0|1,0,0]=3 15736 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,2,0,0,0,0|1,0,0]=3 15737 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,2,0,0,0,0|1,0,0]=3 15738 B12R0.234 CC(=O)CCCOCCOCCBr 34a_100000692535_100000685027 [0,2,0,0,0,0|2,0,0]=4 15739 B12R0.234 CC(=O)CCCOCCOCCBr 7a_100000692535_100011215641 [0,2,0,0,0,0|2,0,0]=4 15740 B12R0.234 CC(=O)CCCOCCOCCCl 34a_100011215305_100000685027 [0,2,0,0,0,0|2,0,0]=4 15741 B12R0.234 CC(=O)CCCOCCOCCCl 7a_100011215305_100011215641 [0,2,0,0,0,0|2,0,0]=4 15742 B12R0.234 CC(=O)CCCOCCOCCF 34a_200015357709_100000685027 [0,2,0,0,0,0|2,0,0]=4 15743 B12R0.234 CC(=O)CCCOCCOCCF 7a_200015357709_100011215641 [0,2,0,0,0,0|2,0,0]=4 15744 B12R0.234 CC(=O)CCCOCCOCCI 34a_100012149058_100000685027 [0,2,0,0,0,0|2,0,0]=4 15745 B12R0.234 CC(=O)CCCOCCOCCI 7a_100012149058_100011215641 [0,2,0,0,0,0|2,0,0]=4 15746 B12R0.234 CC(=O)CCCOCCOCCN 34a_100000211614_100000685027 [0,2,0,0,0,0|2,0,0]=4 15747 B12R0.234 CC(=O)CCCOCCOCCO 34a_100000759063_100000692535 [0,2,0,0,0,0|2,0,0]=4 15748 B12R0.234 CC(=O)CCCOCCOCCO 7a_100000759063_100011215305 [0,2,0,0,0,0|2,0,0]=4 15749 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011215641_100000211819 [0,2,0,0,0,0|1,0,1]=4 15750 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011219923_100011215641 [0,2,0,0,0,0|1,0,1]=4 15751 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [0,2,0,0,0,0|0,0,1]=3 15752 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [0,2,0,0,0,0|0,0,1]=3 15753 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,2,0,0,0,0|1,0,0]=3 15754 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,2,0,0,0,0|1,0,0]=3 15755 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,2,0,0,0,0|1,0,0]=3 15756 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,2,0,0,0,0|1,0,0]=3 15757 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215305_100011215641 [0,2,0,0,0,0|2,0,0]=4 15758 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215641_100011215305 [0,2,0,0,0,0|2,0,0]=4 15759 B12R0.234 CC(=O)CCOCCCCCC#N 7a_100000759926_100009813376 [0,2,0,0,0,0|1,0,1]=4 15760 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [0,2,0,0,0,0|0,0,1]=3 15761 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,2,0,0,0,0|1,0,0]=3 15762 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,2,0,0,0,0|1,0,0]=3 15763 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,2,0,0,0,0|1,0,0]=3 15764 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,2,0,0,0,0|1,0,0]=3 15765 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,2,0,0,0,0|1,0,0]=3 15766 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,2,0,0,0,0|1,0,0]=3 15767 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,2,0,0,0,0|1,0,0]=3 15768 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100000053229_100009813376 [0,2,0,0,0,0|1,0,1]=4 15769 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100009813376_100000053229 [0,2,0,0,0,0|1,0,1]=4 15770 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [0,2,0,0,0,0|0,0,1]=3 15771 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [0,2,0,0,0,0|0,0,1]=3 15772 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,2,0,0,0,0|1,0,0]=3 15773 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,2,0,0,0,0|1,0,0]=3 15774 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,2,0,0,0,0|1,0,0]=3 15775 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,2,0,0,0,0|1,0,0]=3 15776 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,2,0,0,0,0|1,0,0]=3 15777 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,2,0,0,0,0|1,0,0]=3 15778 B12R0.234 CC(=O)NCCCCCCNCF 34a_200011996284_100015361967 [0,2,0,0,0,0|2,0,0]=4 15779 B12R0.234 CC(=O)NCCCCCNCC=O 2230a_200012022750_200015260668 [0,2,0,0,0,0|1,0,1]=4 15780 B12R0.234 CC(=O)NCCCCCNCC=O 34a_200012022750_200009817547 [0,2,0,0,0,0|1,0,1]=4 15781 B12R0.234 CC(=O)NCCCCCNCCF 2230a_200012022750_100011217306 [0,2,0,0,0,0|2,0,0]=4 15782 B12R0.234 CC(=O)NCCCCCNCCF 34a_200012022750_100011217306 [0,2,0,0,0,0|2,0,0]=4 15783 B12R0.234 CC(=O)NCCCCCNCCO 2230a_200012022750_100000211926 [0,2,0,0,0,0|2,0,0]=4 15784 B12R0.234 CC(=O)NCCCCCNCCO 34a_200012022750_100000211926 [0,2,0,0,0,0|2,0,0]=4 15785 B12R0.234 CC(=O)NCCCCNCCCF 2230a_200011368371_100011934791 [0,2,0,0,0,0|2,0,0]=4 15786 B12R0.234 CC(=O)NCCCCNCCCF 34a_200011368371_100011934791 [0,2,0,0,0,0|2,0,0]=4 15787 B12R0.234 CC(=O)NCCCCNCCCO 2230a_200011368371_100000230001 [0,2,0,0,0,0|2,0,0]=4 15788 B12R0.234 CC(=O)NCCCCNCCCO 34a_200011368371_100000230001 [0,2,0,0,0,0|2,0,0]=4 15789 B12R0.234 CC(=O)NCCCNCCCCF 34a_100000736810_100000729493 [0,2,0,0,0,0|2,0,0]=4 15790 B12R0.234 CC(=O)NCCCNCCCCO 34a_100000736810_100011216708 [0,2,0,0,0,0|2,0,0]=4 15791 B12R0.234 CC(=O)NCCCOCCCCF 34a_100000752032_100000729493 [0,2,0,0,0,0|2,0,0]=4 15792 B12R0.234 CC(=O)NCCCOCCCCO 34a_100000752032_100011216708 [0,2,0,0,0,0|2,0,0]=4 15793 B12R0.234 CC(=O)NCCNCCCCC=O 2230a_100000209853_100000139335 [0,2,0,0,0,0|1,0,1]=4 15794 B12R0.234 CC(=O)NCCNCCCCCF 2230a_100000209853_100000729378 [0,2,0,0,0,0|2,0,0]=4 15795 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000209853_100000746330 [0,2,0,0,0,0|2,0,0]=4 15796 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000762737_100000189650 [0,2,0,0,0,0|2,0,0]=4 15797 B12R0.234 CC(=O)NCCOCCCCCBr 7a_100000746331_100000189650 [0,2,0,0,0,0|2,0,0]=4 15798 B12R0.234 CC(=O)NCCOCCCCCCl 7a_100000746330_100000189650 [0,2,0,0,0,0|2,0,0]=4 15799 B12R0.234 CC(=O)NCCOCCCCCF 34a_100000158858_100000729378 [0,2,0,0,0,0|2,0,0]=4 15800 B12R0.234 CC(=O)NCCOCCCCCI 7a_200012148887_100000189650 [0,2,0,0,0,0|2,0,0]=4 15801 B12R0.234 CC(=O)NCCOCCCCCO 34a_100000158858_100000746330 [0,2,0,0,0,0|2,0,0]=4 15802 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000139335_100000189650 [0,2,0,0,0,0|1,0,1]=4 15803 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000189650_100000139335 [0,2,0,0,0,0|1,0,1]=4 15804 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000189650_100000729378 [0,2,0,0,0,0|2,0,0]=4 15805 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000729378_100000189650 [0,2,0,0,0,0|2,0,0]=4 15806 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000189650_100000746330 [0,2,0,0,0,0|2,0,0]=4 15807 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000746330_100000189650 [0,2,0,0,0,0|2,0,0]=4 15808 B12R0.234 CC(=O)OCCCCCNCCF 34a_100000724931_100000033007 [0,2,0,0,0,0|2,0,0]=4 15809 B12R0.234 CC(=O)OCCCCCNCCO 2230a_100016997473_100009813381 [0,2,0,0,0,0|2,0,0]=4 15810 B12R0.234 CC(=O)OCCCCCNCCO 34a_100016990907_100000033007 [0,2,0,0,0,0|2,0,0]=4 15811 B12R0.234 CC(=O)OCCCCCOCCBr 34a_100000211926_100000033007 [0,2,0,0,0,0|2,0,0]=4 15812 B12R0.234 CC(=O)OCCCCCOCCN 34a_100000210304_100000033007 [0,2,0,0,0,0|2,0,0]=4 15813 B12R0.234 CC(=O)OCCCCCSCC=O 62a_100000033007_200015260668 [0,2,0,0,0,0|1,0,1]=4 15814 B12R0.234 CC(=O)OCCCCCSCC=O 62a_200015260668_100000033007 [0,2,0,0,0,0|1,0,1]=4 15815 B12R0.234 CC(=O)OCCCCCSCCF 62a_100000033007_100011217306 [0,2,0,0,0,0|2,0,0]=4 15816 B12R0.234 CC(=O)OCCCCCSCCF 62a_100011217306_100000033007 [0,2,0,0,0,0|2,0,0]=4 15817 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000033007_100000211926 [0,2,0,0,0,0|2,0,0]=4 15818 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000211926_100000033007 [0,2,0,0,0,0|2,0,0]=4 15819 B12R0.234 CC(=O)OCCCCNCCCF 34a_100015189416_100000033659 [0,2,0,0,0,0|2,0,0]=4 15820 B12R0.234 CC(=O)OCCCCOCCCBr 34a_100011217188_100000033659 [0,2,0,0,0,0|2,0,0]=4 15821 B12R0.234 CC(=O)OCCCCOCCCCl 34a_100000230001_100000033659 [0,2,0,0,0,0|2,0,0]=4 15822 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000073216_100011934791 [0,2,0,0,0,0|2,0,0]=4 15823 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000759539_100000033659 [0,2,0,0,0,0|2,0,0]=4 15824 B12R0.234 CC(=O)OCCCCOCCCF 7a_100000073216_100011934791 [0,2,0,0,0,0|2,0,0]=4 15825 B12R0.234 CC(=O)OCCCCOCCCN 34a_100000182051_100000033659 [0,2,0,0,0,0|2,0,0]=4 15826 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [0,2,0,0,0,0|2,0,0]=4 15827 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [0,2,0,0,0,0|2,0,0]=4 15828 B12R0.234 CC(=O)OCCCCSCCCF 62a_100000033659_100011934791 [0,2,0,0,0,0|2,0,0]=4 15829 B12R0.234 CC(=O)OCCCCSCCCF 62a_100011934791_100000033659 [0,2,0,0,0,0|2,0,0]=4 15830 B12R0.234 CC(=O)OCCCCSCCCO 62a_100000033659_100011215043 [0,2,0,0,0,0|2,0,0]=4 15831 B12R0.234 CC(=O)OCCCCSCCCO 62a_100011215043_100000033659 [0,2,0,0,0,0|2,0,0]=4 15832 B12R0.234 CC(=O)OCCCNCCCCO 34a_100000750430_100000042594 [0,2,0,0,0,0|2,0,0]=4 15833 B12R0.234 CC(=O)OCCCOCCCCBr 34a_100011216708_100000042594 [0,2,0,0,0,0|2,0,0]=4 15834 B12R0.234 CC(=O)OCCCOCCCCCl 34a_100000210776_100000042594 [0,2,0,0,0,0|2,0,0]=4 15835 B12R0.234 CC(=O)OCCCOCCCCCl 7a_100000210776_100000042594 [0,2,0,0,0,0|2,0,0]=4 15836 B12R0.234 CC(=O)OCCCOCCCCF 34a_100011995726_100000042594 [0,2,0,0,0,0|2,0,0]=4 15837 B12R0.234 CC(=O)OCCCOCCCCF 7a_100011995726_100000042594 [0,2,0,0,0,0|2,0,0]=4 15838 B12R0.234 CC(=O)OCCCOCCCCI 34a_200012148704_100000042594 [0,2,0,0,0,0|2,0,0]=4 15839 B12R0.234 CC(=O)OCCCOCCCCN 34a_100000750430_100000042594 [0,2,0,0,0,0|2,0,0]=4 15840 B12R0.234 CC(=O)OCCCSCCCC=O 62a_100000042594_200011292268 [0,2,0,0,0,0|1,0,1]=4 15841 B12R0.234 CC(=O)OCCCSCCCC=O 62a_200011292268_100000042594 [0,2,0,0,0,0|1,0,1]=4 15842 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000042594_100000729493 [0,2,0,0,0,0|2,0,0]=4 15843 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000729493_100000042594 [0,2,0,0,0,0|2,0,0]=4 15844 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000042594_100000210776 [0,2,0,0,0,0|2,0,0]=4 15845 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000210776_100000042594 [0,2,0,0,0,0|2,0,0]=4 15846 B12R0.234 CC(=O)OCCNCCCCCO 34a_100000762737_100009814007 [0,2,0,0,0,0|2,0,0]=4 15847 B12R0.234 CC(=O)OCCOCCCCCBr 34a_100000746331_100009814007 [0,2,0,0,0,0|2,0,0]=4 15848 B12R0.234 CC(=O)OCCOCCCCCBr 7a_100000746331_100009814007 [0,2,0,0,0,0|2,0,0]=4 15849 B12R0.234 CC(=O)OCCOCCCCCCl 34a_100000746330_100009814007 [0,2,0,0,0,0|2,0,0]=4 15850 B12R0.234 CC(=O)OCCOCCCCCCl 7a_100000746330_100009814007 [0,2,0,0,0,0|2,0,0]=4 15851 B12R0.234 CC(=O)OCCOCCCCCI 34a_200012148887_100009814007 [0,2,0,0,0,0|2,0,0]=4 15852 B12R0.234 CC(=O)OCCOCCCCCI 7a_200012148887_100009814007 [0,2,0,0,0,0|2,0,0]=4 15853 B12R0.234 CC(=O)OCCOCCCCCN 34a_100000762737_100009814007 [0,2,0,0,0,0|2,0,0]=4 15854 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100000139335_100009814007 [0,2,0,0,0,0|1,0,1]=4 15855 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100009814007_100000139335 [0,2,0,0,0,0|1,0,1]=4 15856 B12R0.234 CC(=O)OCCSCCCCCF 62a_100000729378_100009814007 [0,2,0,0,0,0|2,0,0]=4 15857 B12R0.234 CC(=O)OCCSCCCCCF 62a_100009814007_100000729378 [0,2,0,0,0,0|2,0,0]=4 15858 B12R0.234 CC(=O)OCCSCCCCCO 62a_100000746330_100009814007 [0,2,0,0,0,0|2,0,0]=4 15859 B12R0.234 CC(=O)OCCSCCCCCO 62a_100009814007_100000746330 [0,2,0,0,0,0|2,0,0]=4 15860 B12R0.234 CC(=O)OCNCCCCCCO 34a_100000686447_100009813279 [0,2,0,0,0,0|2,0,0]=4 15861 B12R0.234 CC(=O)OCOCCCCCCBr 34a_100011215345_100009813279 [0,2,0,0,0,0|2,0,0]=4 15862 B12R0.234 CC(=O)OCOCCCCCCCl 34a_100000766143_100009813279 [0,2,0,0,0,0|2,0,0]=4 15863 B12R0.234 CC(=O)OCOCCCCCCF 34a_100000732779_100009813279 [0,2,0,0,0,0|2,0,0]=4 15864 B12R0.234 CC(=O)OCOCCCCCCN 34a_100000686447_100009813279 [0,2,0,0,0,0|2,0,0]=4 15865 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000076356_100000139337 [0,2,0,0,0,0|1,0,1]=4 15866 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000139337_100000076356 [0,2,0,0,0,0|1,0,1]=4 15867 B12R0.234 CC(=O)OCSCCCCCCF 62a_100000076356_100015922095 [0,2,0,0,0,0|2,0,0]=4 15868 B12R0.234 CC(=O)OCSCCCCCCF 62a_100015922095_100000076356 [0,2,0,0,0,0|2,0,0]=4 15869 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000076356_100000766143 [0,2,0,0,0,0|2,0,0]=4 15870 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000766143_100000076356 [0,2,0,0,0,0|2,0,0]=4 15871 B12R0.234 CC(=O)SCCCCNCCCF 2230a_100015189416_200010402107 [0,2,0,0,0,0|2,0,0]=4 15872 B12R0.234 CC(=O)SCCCCNCCCF 34a_100015189416_200010402107 [0,2,0,0,0,0|2,0,0]=4 15873 B12R0.234 CC(=O)SCCCCOCCCBr 34a_100011217188_200010402107 [0,2,0,0,0,0|2,0,0]=4 15874 B12R0.234 CC(=O)SCCCCOCCCCl 34a_100000230001_200010402107 [0,2,0,0,0,0|2,0,0]=4 15875 B12R0.234 CC(=O)SCCCCOCCCF 34a_100000759539_200010402107 [0,2,0,0,0,0|2,0,0]=4 15876 B12R0.234 CC(=O)SCCCCOCCCN 34a_100000182051_200010402107 [0,2,0,0,0,0|2,0,0]=4 15877 B12R0.234 CC(=O)SCCCCSCCCF 62a_100011934791_200010402107 [0,2,0,0,0,0|2,0,0]=4 15878 B12R0.234 CC(=O)SCCCCSCCCF 62a_200010402107_100011934791 [0,2,0,0,0,0|2,0,0]=4 15879 B12R0.234 CC(=O)SCCCCSCCCO 62a_100011215043_200010402107 [0,2,0,0,0,0|2,0,0]=4 15880 B12R0.234 CC(=O)SCCCCSCCCO 62a_200010402107_100011215043 [0,2,0,0,0,0|2,0,0]=4 15881 B12R0.234 CC(=O)SCCCNCCCCO 2230a_100000750430_100000038929 [0,2,0,0,0,0|2,0,0]=4 15882 B12R0.234 CC(=O)SCCCNCCCCO 34a_100000750430_100000038929 [0,2,0,0,0,0|2,0,0]=4 15883 B12R0.234 CC(=O)SCCCOCCCCBr 34a_100011216708_100000038929 [0,2,0,0,0,0|2,0,0]=4 15884 B12R0.234 CC(=O)SCCCOCCCCCl 34a_100000210776_100000038929 [0,2,0,0,0,0|2,0,0]=4 15885 B12R0.234 CC(=O)SCCCOCCCCCl 7a_100000210776_100000038929 [0,2,0,0,0,0|2,0,0]=4 15886 B12R0.234 CC(=O)SCCCOCCCCF 34a_100011995726_100000038929 [0,2,0,0,0,0|2,0,0]=4 15887 B12R0.234 CC(=O)SCCCOCCCCF 7a_100011995726_100000038929 [0,2,0,0,0,0|2,0,0]=4 15888 B12R0.234 CC(=O)SCCCOCCCCI 34a_200012148704_100000038929 [0,2,0,0,0,0|2,0,0]=4 15889 B12R0.234 CC(=O)SCCCOCCCCN 34a_100000750430_100000038929 [0,2,0,0,0,0|2,0,0]=4 15890 B12R0.234 CC(=O)SCCCSCCCC=O 62a_100000038929_200011292268 [0,2,0,0,0,0|1,0,1]=4 15891 B12R0.234 CC(=O)SCCCSCCCC=O 62a_200011292268_100000038929 [0,2,0,0,0,0|1,0,1]=4 15892 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000038929_100000729493 [0,2,0,0,0,0|2,0,0]=4 15893 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000729493_100000038929 [0,2,0,0,0,0|2,0,0]=4 15894 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000038929_100000210776 [0,2,0,0,0,0|2,0,0]=4 15895 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000210776_100000038929 [0,2,0,0,0,0|2,0,0]=4 15896 B12R0.234 CC(=S)OCCCSCCCC=O 62a_200011292268_200135323944 [0,2,0,0,0,0|1,0,1]=4 15897 B12R0.234 CC(=S)OCCCSCCCC=O 62a_200135323944_200011292268 [0,2,0,0,0,0|1,0,1]=4 15898 B12R0.234 CC(Br)CCOCCCCCCF 34a_100009893172_100015922095 [0,2,0,0,0,0|1,0,1]=4 15899 B12R0.234 CC(Br)CCOCCCCCCO 34a_100009893172_100000766143 [0,2,0,0,0,0|0,0,2]=4 15900 B12R0.234 CC(Br)COCCCCCCCO 34a_100012180447_100000760002 [0,2,0,0,0,0|0,0,2]=4 15901 B12R0.234 CC(C)CCCCCCCOCF 34a_200000210741_100015361967 [0,2,0,0,0,0|1,0,1]=4 15902 B12R0.234 CC(C)CCCCCCCOCF 7a_200000210741_100015361967 [0,2,0,0,0,0|1,0,1]=4 15903 B12R0.234 CC(C)CCCCCCNCC#N 2230a_100000211014_100011215382 [0,2,0,0,0,0|1,0,1]=4 15904 B12R0.234 CC(C)CCCCCCNCC=O 2230a_100000211014_200015260668 [0,2,0,0,0,0|0,0,0]=2 15905 B12R0.234 CC(C)CCCCCCNCC=O 34a_100000211014_200009817547 [0,2,0,0,0,0|0,0,0]=2 15906 B12R0.234 CC(C)CCCCCCNCCF 2230a_100000211014_100011217306 [0,2,0,0,0,0|1,0,1]=4 15907 B12R0.234 CC(C)CCCCCCNCCF 34a_100000211014_100011217306 [0,2,0,0,0,0|1,0,1]=4 15908 B12R0.234 CC(C)CCCCCCNCCO 2230a_100000211014_100000211926 [0,2,0,0,0,0|0,0,2]=4 15909 B12R0.234 CC(C)CCCCCCNCCO 34a_100000211014_100000211926 [0,2,0,0,0,0|0,0,2]=4 15910 B12R0.234 CC(C)CCCCCNCCC#N 2230a_100011290863_100011215226 [0,2,0,0,0,0|1,0,1]=4 15911 B12R0.234 CC(C)CCCCCNCCCF 2230a_100011290863_100011934791 [0,2,0,0,0,0|1,0,1]=4 15912 B12R0.234 CC(C)CCCCCNCCCF 2230a_100015189416_100000210682 [0,2,0,0,0,0|1,0,1]=4 15913 B12R0.234 CC(C)CCCCCNCCCF 34a_100011290863_100011934791 [0,2,0,0,0,0|1,0,1]=4 15914 B12R0.234 CC(C)CCCCCNCCCF 34a_100015189416_100000210682 [0,2,0,0,0,0|1,0,1]=4 15915 B12R0.234 CC(C)CCCCCNCCCO 2230a_100011290863_100000230001 [0,2,0,0,0,0|0,0,2]=4 15916 B12R0.234 CC(C)CCCCCNCCCO 34a_100011290863_100000230001 [0,2,0,0,0,0|0,0,2]=4 15917 B12R0.234 CC(C)CCCCCOCCC#N 7a_100011995859_100000184422 [0,2,0,0,0,0|1,0,1]=4 15918 B12R0.234 CC(C)CCCCCOCCCBr 34a_100011217188_100000210682 [0,2,0,0,0,0|1,0,1]=4 15919 B12R0.234 CC(C)CCCCCOCCCCl 34a_100000230001_100000210682 [0,2,0,0,0,0|1,0,1]=4 15920 B12R0.234 CC(C)CCCCCOCCCF 34a_100000759539_100000210682 [0,2,0,0,0,0|1,0,1]=4 15921 B12R0.234 CC(C)CCCCCOCCCF 34a_100011995859_100011934791 [0,2,0,0,0,0|1,0,1]=4 15922 B12R0.234 CC(C)CCCCCOCCCF 7a_100011995859_100011934791 [0,2,0,0,0,0|1,0,1]=4 15923 B12R0.234 CC(C)CCCCCOCCCN 34a_100000182051_100000210682 [0,2,0,0,0,0|1,0,1]=4 15924 B12R0.234 CC(C)CCCCCOCCCO 34a_100011995859_100000230001 [0,2,0,0,0,0|0,0,2]=4 15925 B12R0.234 CC(C)CCCCCOCCCO 7a_100011995859_100011215043 [0,2,0,0,0,0|0,0,2]=4 15926 B12R0.234 CC(C)CCCCCOCCON 34a_100000700252_100000210682 [0,2,0,0,0,0|2,0,0]=4 15927 B12R0.234 CC(C)CCCCCSCCC#N 62a_100000210682_100011215226 [0,2,0,0,0,0|1,0,1]=4 15928 B12R0.234 CC(C)CCCCCSCCC#N 62a_100011215226_100000210682 [0,2,0,0,0,0|1,0,1]=4 15929 B12R0.234 CC(C)CCCCCSCCCF 62a_100000210682_100011934791 [0,2,0,0,0,0|1,0,1]=4 15930 B12R0.234 CC(C)CCCCCSCCCF 62a_100011934791_100000210682 [0,2,0,0,0,0|1,0,1]=4 15931 B12R0.234 CC(C)CCCCCSCCCO 62a_100000210682_100011215043 [0,2,0,0,0,0|0,0,2]=4 15932 B12R0.234 CC(C)CCCCCSCCCO 62a_100011215043_100000210682 [0,2,0,0,0,0|0,0,2]=4 15933 B12R0.234 CC(C)CCCCNCCCCO 2230a_100000750430_100011216152 [0,2,0,0,0,0|0,0,2]=4 15934 B12R0.234 CC(C)CCCCNCCCCO 34a_100000750430_100011216152 [0,2,0,0,0,0|0,0,2]=4 15935 B12R0.234 CC(C)CCCCOCCCC#N 7a_100011214890_100000687738 [0,2,0,0,0,0|1,0,1]=4 15936 B12R0.234 CC(C)CCCCOCCCC=O 7a_100011214890_200011292268 [0,2,0,0,0,0|0,0,0]=2 15937 B12R0.234 CC(C)CCCCOCCCCBr 34a_100011216708_100011216152 [0,2,0,0,0,0|1,0,1]=4 15938 B12R0.234 CC(C)CCCCOCCCCCl 34a_100000210776_100011216152 [0,2,0,0,0,0|1,0,1]=4 15939 B12R0.234 CC(C)CCCCOCCCCCl 7a_100000210776_100011216152 [0,2,0,0,0,0|1,0,1]=4 15940 B12R0.234 CC(C)CCCCOCCCCF 34a_100011214890_100000729493 [0,2,0,0,0,0|1,0,1]=4 15941 B12R0.234 CC(C)CCCCOCCCCF 34a_100011995726_100011216152 [0,2,0,0,0,0|1,0,1]=4 15942 B12R0.234 CC(C)CCCCOCCCCF 7a_100011214890_100000729493 [0,2,0,0,0,0|1,0,1]=4 15943 B12R0.234 CC(C)CCCCOCCCCF 7a_100011995726_100011216152 [0,2,0,0,0,0|1,0,1]=4 15944 B12R0.234 CC(C)CCCCOCCCCI 34a_200012148704_100011216152 [0,2,0,0,0,0|1,0,1]=4 15945 B12R0.234 CC(C)CCCCOCCCCN 34a_100000750430_100011216152 [0,2,0,0,0,0|1,0,1]=4 15946 B12R0.234 CC(C)CCCCOCCCCO 34a_100011214890_100011216708 [0,2,0,0,0,0|0,0,2]=4 15947 B12R0.234 CC(C)CCCCOCCCCO 7a_100011214890_100000210776 [0,2,0,0,0,0|0,0,2]=4 15948 B12R0.234 CC(C)CCCCSCCCC#N 62a_100000687738_100011216152 [0,2,0,0,0,0|1,0,1]=4 15949 B12R0.234 CC(C)CCCCSCCCC#N 62a_100011216152_100000687738 [0,2,0,0,0,0|1,0,1]=4 15950 B12R0.234 CC(C)CCCCSCCCC=O 62a_100011216152_200011292268 [0,2,0,0,0,0|0,0,0]=2 15951 B12R0.234 CC(C)CCCCSCCCC=O 62a_200011292268_100011216152 [0,2,0,0,0,0|0,0,0]=2 15952 B12R0.234 CC(C)CCCCSCCCCF 62a_100000729493_100011216152 [0,2,0,0,0,0|1,0,1]=4 15953 B12R0.234 CC(C)CCCCSCCCCF 62a_100011216152_100000729493 [0,2,0,0,0,0|1,0,1]=4 15954 B12R0.234 CC(C)CCCCSCCCCO 62a_100000210776_100011216152 [0,2,0,0,0,0|0,0,2]=4 15955 B12R0.234 CC(C)CCCCSCCCCO 62a_100011216152_100000210776 [0,2,0,0,0,0|0,0,2]=4 15956 B12R0.234 CC(C)CCCNCCCCC#N 2230a_200000737386_100000211819 [0,2,0,0,0,0|1,0,1]=4 15957 B12R0.234 CC(C)CCCNCCCCC=O 2230a_200000737386_100000139335 [0,2,0,0,0,0|0,0,0]=2 15958 B12R0.234 CC(C)CCCNCCCCCF 2230a_200000737386_100000729378 [0,2,0,0,0,0|1,0,1]=4 15959 B12R0.234 CC(C)CCCNCCCCCF 34a_200000737386_100000729378 [0,2,0,0,0,0|1,0,1]=4 15960 B12R0.234 CC(C)CCCNCCCCCO 2230a_100000762737_100011214892 [0,2,0,0,0,0|0,0,2]=4 15961 B12R0.234 CC(C)CCCNCCCCCO 2230a_200000737386_100000746330 [0,2,0,0,0,0|0,0,2]=4 15962 B12R0.234 CC(C)CCCNCCCCCO 34a_100000762737_100011214892 [0,2,0,0,0,0|0,0,2]=4 15963 B12R0.234 CC(C)CCCNCCCCCO 34a_200000737386_100000746330 [0,2,0,0,0,0|0,0,2]=4 15964 B12R0.234 CC(C)CCCOCCCCC#N 7a_100000210774_100000211819 [0,2,0,0,0,0|1,0,1]=4 15965 B12R0.234 CC(C)CCCOCCCCC=O 7a_100000210774_100000139335 [0,2,0,0,0,0|0,0,0]=2 15966 B12R0.234 CC(C)CCCOCCCCCBr 34a_100000746331_100011214892 [0,2,0,0,0,0|1,0,1]=4 15967 B12R0.234 CC(C)CCCOCCCCCBr 7a_100000746331_100011214892 [0,2,0,0,0,0|1,0,1]=4 15968 B12R0.234 CC(C)CCCOCCCCCCl 34a_100000746330_100011214892 [0,2,0,0,0,0|1,0,1]=4 15969 B12R0.234 CC(C)CCCOCCCCCCl 7a_100000746330_100011214892 [0,2,0,0,0,0|1,0,1]=4 15970 B12R0.234 CC(C)CCCOCCCCCF 34a_100000210774_100000729378 [0,2,0,0,0,0|1,0,1]=4 15971 B12R0.234 CC(C)CCCOCCCCCF 7a_100000210774_100000729378 [0,2,0,0,0,0|1,0,1]=4 15972 B12R0.234 CC(C)CCCOCCCCCI 34a_200012148887_100011214892 [0,2,0,0,0,0|1,0,1]=4 15973 B12R0.234 CC(C)CCCOCCCCCI 7a_200012148887_100011214892 [0,2,0,0,0,0|1,0,1]=4 15974 B12R0.234 CC(C)CCCOCCCCCN 34a_100000762737_100011214892 [0,2,0,0,0,0|1,0,1]=4 15975 B12R0.234 CC(C)CCCOCCCCCO 34a_100000210774_100000746330 [0,2,0,0,0,0|0,0,2]=4 15976 B12R0.234 CC(C)CCCOCCCCCO 7a_100000210774_100000746330 [0,2,0,0,0,0|0,0,2]=4 15977 B12R0.234 CC(C)CCCSCCCCC#N 62a_100011214892_100000211819 [0,2,0,0,0,0|1,0,1]=4 15978 B12R0.234 CC(C)CCCSCCCCC#N 62a_100011219923_100011214892 [0,2,0,0,0,0|1,0,1]=4 15979 B12R0.234 CC(C)CCCSCCCCC=O 62a_100000139335_100011214892 [0,2,0,0,0,0|0,0,0]=2 15980 B12R0.234 CC(C)CCCSCCCCC=O 62a_100011214892_100000139335 [0,2,0,0,0,0|0,0,0]=2 15981 B12R0.234 CC(C)CCCSCCCCCF 62a_100000729378_100011214892 [0,2,0,0,0,0|1,0,1]=4 15982 B12R0.234 CC(C)CCCSCCCCCF 62a_100011214892_100000729378 [0,2,0,0,0,0|1,0,1]=4 15983 B12R0.234 CC(C)CCCSCCCCCO 62a_100000746330_100011214892 [0,2,0,0,0,0|0,0,2]=4 15984 B12R0.234 CC(C)CCCSCCCCCO 62a_100011214892_100000746330 [0,2,0,0,0,0|0,0,2]=4 15985 B12R0.234 CC(C)CCNCCCCCCO 2230a_100000686447_100000210312 [0,2,0,0,0,0|0,0,2]=4 15986 B12R0.234 CC(C)CCNCCCCCCO 269862a_100000686447_100000185833 [0,2,0,0,0,0|0,0,2]=4 15987 B12R0.234 CC(C)CCNCCCCCCO 34a_100000686447_100000210312 [0,2,0,0,0,0|0,0,2]=4 15988 B12R0.234 CC(C)CCOCCCCCC#N 7a_100000210254_100009813376 [0,2,0,0,0,0|1,0,1]=4 15989 B12R0.234 CC(C)CCOCCCCCC=O 7a_100000210254_100000139337 [0,2,0,0,0,0|0,0,0]=2 15990 B12R0.234 CC(C)CCOCCCCCCBr 34a_100011215345_100000210312 [0,2,0,0,0,0|1,0,1]=4 15991 B12R0.234 CC(C)CCOCCCCCCBr 7a_100011215345_100000210626 [0,2,0,0,0,0|1,0,1]=4 15992 B12R0.234 CC(C)CCOCCCCCCCl 34a_100000766143_100000210312 [0,2,0,0,0,0|1,0,1]=4 15993 B12R0.234 CC(C)CCOCCCCCCCl 7a_100000766143_100000210626 [0,2,0,0,0,0|1,0,1]=4 15994 B12R0.234 CC(C)CCOCCCCCCF 34a_100000210254_100015922095 [0,2,0,0,0,0|1,0,1]=4 15995 B12R0.234 CC(C)CCOCCCCCCF 34a_100000732779_100000210312 [0,2,0,0,0,0|1,0,1]=4 15996 B12R0.234 CC(C)CCOCCCCCCF 7a_100000210254_100015922095 [0,2,0,0,0,0|1,0,1]=4 15997 B12R0.234 CC(C)CCOCCCCCCF 7a_100000732779_100000210626 [0,2,0,0,0,0|1,0,1]=4 15998 B12R0.234 CC(C)CCOCCCCCCN 34a_100000686447_100000210312 [0,2,0,0,0,0|1,0,1]=4 15999 B12R0.234 CC(C)CCOCCCCCCO 34a_100000210254_100000766143 [0,2,0,0,0,0|0,0,2]=4 16000 B12R0.234 CC(C)CCOCCCCCCO 7a_100000210254_100000766143 [0,2,0,0,0,0|0,0,2]=4 16001 B12R0.234 CC(C)CCSCCCCCC#N 62a_100000210312_100009813376 [0,2,0,0,0,0|1,0,1]=4 16002 B12R0.234 CC(C)CCSCCCCCC#N 62a_100009813376_100000210312 [0,2,0,0,0,0|1,0,1]=4 16003 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000139337_100000210312 [0,2,0,0,0,0|0,0,0]=2 16004 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000210312_100000139337 [0,2,0,0,0,0|0,0,0]=2 16005 B12R0.234 CC(C)CCSCCCCCCF 62a_100000210312_100015922095 [0,2,0,0,0,0|1,0,1]=4 16006 B12R0.234 CC(C)CCSCCCCCCF 62a_100015922095_100000210312 [0,2,0,0,0,0|1,0,1]=4 16007 B12R0.234 CC(C)CCSCCCCCCO 62a_100000210312_100000766143 [0,2,0,0,0,0|0,0,2]=4 16008 B12R0.234 CC(C)CCSCCCCCCO 62a_100000766143_100000210312 [0,2,0,0,0,0|0,0,2]=4 16009 B12R0.234 CC(C)CNCCCCCCC#N 2230a_100000210953_100009813337 [0,2,0,0,0,0|1,0,1]=4 16010 B12R0.234 CC(C)CNCCCCCCCO 2230a_100000210953_100000760002 [0,2,0,0,0,0|0,0,2]=4 16011 B12R0.234 CC(C)CNCCCCCCCO 2230a_100011996573_100000210760 [0,2,0,0,0,0|0,0,2]=4 16012 B12R0.234 CC(C)CNCCCCCCCO 270004a_100011996573_100000210432 [0,2,0,0,0,0|0,0,2]=4 16013 B12R0.234 CC(C)CNCCCCCCCO 34a_100000210953_100000760002 [0,2,0,0,0,0|0,0,2]=4 16014 B12R0.234 CC(C)CNCCCCCCCO 34a_100011996573_100000210624 [0,2,0,0,0,0|0,0,2]=4 16015 B12R0.234 CC(C)COCCCCCCCBr 34a_100000760002_100000210624 [0,2,0,0,0,0|1,0,1]=4 16016 B12R0.234 CC(C)COCCCCCCCBr 7a_100000760002_100000210760 [0,2,0,0,0,0|1,0,1]=4 16017 B12R0.234 CC(C)COCCCCCCCN 34a_100011996573_100000210624 [0,2,0,0,0,0|1,0,1]=4 16018 B12R0.234 CC(C)COCCCCCCCO 34a_100000210257_100000760002 [0,2,0,0,0,0|0,0,2]=4 16019 B12R0.234 CC(C)COCCOCCCC=O 7a_100000703358_200011292268 [0,2,0,0,0,0|1,0,0]=3 16020 B12R0.234 CC(C)CSCCCCCCC#N 62a_100000210624_100009813337 [0,2,0,0,0,0|1,0,1]=4 16021 B12R0.234 CC(C)CSCCCCCCC#N 62a_100009813337_100000210760 [0,2,0,0,0,0|1,0,1]=4 16022 B12R0.234 CC(C)CSCCCCCCCO 62a_100000210624_100000760002 [0,2,0,0,0,0|0,0,2]=4 16023 B12R0.234 CC(C)CSCCCCCCCO 62a_100000760002_100000210760 [0,2,0,0,0,0|0,0,2]=4 16024 B12R0.234 CC(C)CSCCOCCCC=O 7a_200000230437_200011292268 [0,2,0,0,0,0|1,0,0]=3 16025 B12R0.234 CC(C)NCCCCCCCCO 2230a_100138425928_100000033203 [0,2,0,0,0,0|0,0,2]=4 16026 B12R0.234 CC(C)NCCCCCCCCO 2230a_102515433106_100000210206 [0,2,0,0,0,0|0,0,2]=4 16027 B12R0.234 CC(C)NCCCCCCCCO 34a_100138425928_100000033203 [0,2,0,0,0,0|0,0,2]=4 16028 B12R0.234 CC(C)NCCCCCCCCO 34a_102515433106_100000210206 [0,2,0,0,0,0|0,0,2]=4 16029 B12R0.234 CC(C)NCCCCCOCC=O 34a_100011629493_200009817547 [0,2,0,0,0,0|1,0,0]=3 16030 B12R0.234 CC(C)OCCCCCCCCBr 34a_100009813846_100000210206 [0,2,0,0,0,0|1,0,1]=4 16031 B12R0.234 CC(C)OCCCCCCCCBr 7a_100009813846_100000210206 [0,2,0,0,0,0|1,0,1]=4 16032 B12R0.234 CC(C)OCCCCCCCCCl 34a_100000033203_100000210206 [0,2,0,0,0,0|1,0,1]=4 16033 B12R0.234 CC(C)OCCCCCCCCCl 7a_100000033203_100000210206 [0,2,0,0,0,0|1,0,1]=4 16034 B12R0.234 CC(C)OCCCCCCCCN 34a_102515433106_100000210206 [0,2,0,0,0,0|1,0,1]=4 16035 B12R0.234 CC(C)OCCCCCCCCO 34a_100000212225_100000033203 [0,2,0,0,0,0|0,0,2]=4 16036 B12R0.234 CC(C)OCCCNCCCC=O 2230a_100000737246_200011292268 [0,2,0,0,0,0|1,0,0]=3 16037 B12R0.234 CC(C)OCCNCCCCC=O 2230a_100000701111_100000139335 [0,2,0,0,0,0|1,0,0]=3 16038 B12R0.234 CC(C)OCCOCCCCC=O 7a_100000211219_100000139335 [0,2,0,0,0,0|1,0,0]=3 16039 B12R0.234 CC(C)OCCSCCCCC=O 62a_100000139335_100000211751 [0,2,0,0,0,0|1,0,0]=3 16040 B12R0.234 CC(C)OCCSCCCCC=O 62a_100000211751_100000139335 [0,2,0,0,0,0|1,0,0]=3 16041 B12R0.234 CC(C)OCSCCCCCC=O 62a_100000139337_100000709892 [0,2,0,0,0,0|1,0,0]=3 16042 B12R0.234 CC(C)OCSCCCCCC=O 62a_100000709892_100000139337 [0,2,0,0,0,0|1,0,0]=3 16043 B12R0.234 CC(C)SCCCCCCCCO 62a_100000033203_100000210206 [0,2,0,0,0,0|0,0,2]=4 16044 B12R0.234 CC(C)SCCCCCCCCO 62a_100000210206_100000033203 [0,2,0,0,0,0|0,0,2]=4 16045 B12R0.234 CC(C)SCCNCCCCC=O 2230a_100000731138_100000139335 [0,2,0,0,0,0|1,0,0]=3 16046 B12R0.234 CC(C)SCCOCCCCC=O 7a_200011212901_100000139335 [0,2,0,0,0,0|1,0,0]=3 16047 B12R0.234 CC(C)SCCSCCCCC=O 62a_100000139335_100000730970 [0,2,0,0,0,0|1,0,0]=3 16048 B12R0.234 CC(C)SCCSCCCCC=O 62a_100000730970_100000139335 [0,2,0,0,0,0|1,0,0]=3 16049 B12R0.234 CC(F)COCCCCCCCO 34a_100015925927_100000760002 [0,2,0,0,0,0|0,0,2]=4 16050 B12R0.234 CC(O)CCCNCCCCCO 2230a_100000762737_200000718107 [0,2,0,0,0,0|0,0,2]=4 16051 B12R0.234 CC(O)CCCNCCCCCO 34a_100000762737_200000718107 [0,2,0,0,0,0|0,0,2]=4 16052 B12R0.234 CC(O)CCCOCCCCCBr 34a_100000746331_200000718107 [0,2,0,0,0,0|1,0,1]=4 16053 B12R0.234 CC(O)CCCOCCCCCBr 7a_100000746331_200000718107 [0,2,0,0,0,0|1,0,1]=4 16054 B12R0.234 CC(O)CCCOCCCCCCl 34a_100000746330_200000718107 [0,2,0,0,0,0|1,0,1]=4 16055 B12R0.234 CC(O)CCCOCCCCCCl 7a_100000746330_200000718107 [0,2,0,0,0,0|1,0,1]=4 16056 B12R0.234 CC(O)CCCOCCCCCI 34a_200012148887_200000718107 [0,2,0,0,0,0|1,0,1]=4 16057 B12R0.234 CC(O)CCCOCCCCCI 7a_200012148887_200000718107 [0,2,0,0,0,0|1,0,1]=4 16058 B12R0.234 CC(O)CCCOCCCCCN 34a_100000762737_200000718107 [0,2,0,0,0,0|1,0,1]=4 16059 B12R0.234 CC(O)CCCSCCCCC#N 62a_100011219923_200000718107 [0,2,0,0,0,0|1,0,1]=4 16060 B12R0.234 CC(O)CCCSCCCCC#N 62a_200000718107_100000211819 [0,2,0,0,0,0|1,0,1]=4 16061 B12R0.234 CC(O)CCCSCCCCC=O 62a_100000139335_200000718107 [0,2,0,0,0,0|0,0,0]=2 16062 B12R0.234 CC(O)CCCSCCCCC=O 62a_200000718107_100000139335 [0,2,0,0,0,0|0,0,0]=2 16063 B12R0.234 CC(O)CCCSCCCCCF 62a_100000729378_200000718107 [0,2,0,0,0,0|1,0,1]=4 16064 B12R0.234 CC(O)CCCSCCCCCF 62a_200000718107_100000729378 [0,2,0,0,0,0|1,0,1]=4 16065 B12R0.234 CC(O)CCCSCCCCCO 62a_100000746330_200000718107 [0,2,0,0,0,0|0,0,2]=4 16066 B12R0.234 CC(O)CCCSCCCCCO 62a_200000718107_100000746330 [0,2,0,0,0,0|0,0,2]=4 16067 B12R0.234 CC(O)CCNCCCCCC#N 2230a_200000755665_100009813376 [0,2,0,0,0,0|1,0,1]=4 16068 B12R0.234 CC(O)CCNCCCCCC=O 2230a_200000755665_100000139337 [0,2,0,0,0,0|0,0,0]=2 16069 B12R0.234 CC(O)CCNCCCCCCF 2230a_200000755665_100015922095 [0,2,0,0,0,0|1,0,1]=4 16070 B12R0.234 CC(O)CCNCCCCCCO 2230a_100000686447_100012276601 [0,2,0,0,0,0|0,0,2]=4 16071 B12R0.234 CC(O)CCNCCCCCCO 2230a_200000755665_100000766143 [0,2,0,0,0,0|0,0,2]=4 16072 B12R0.234 CC(O)CCNCCCCCCO 34a_100000686447_100012276601 [0,2,0,0,0,0|0,0,2]=4 16073 B12R0.234 CC(O)CCOCCCCCCBr 34a_100011215345_100012276601 [0,2,0,0,0,0|1,0,1]=4 16074 B12R0.234 CC(O)CCOCCCCCCBr 7a_100011215345_100012276601 [0,2,0,0,0,0|1,0,1]=4 16075 B12R0.234 CC(O)CCOCCCCCCCl 34a_100000766143_100012276601 [0,2,0,0,0,0|1,0,1]=4 16076 B12R0.234 CC(O)CCOCCCCCCCl 7a_100000766143_100012276601 [0,2,0,0,0,0|1,0,1]=4 16077 B12R0.234 CC(O)CCOCCCCCCF 34a_100000732779_100012276601 [0,2,0,0,0,0|1,0,1]=4 16078 B12R0.234 CC(O)CCOCCCCCCF 7a_100000732779_100012276601 [0,2,0,0,0,0|1,0,1]=4 16079 B12R0.234 CC(O)CCOCCCCCCN 34a_100000686447_100012276601 [0,2,0,0,0,0|1,0,1]=4 16080 B12R0.234 CC(O)CCSCCCCCC#N 62a_100009813376_100012276601 [0,2,0,0,0,0|1,0,1]=4 16081 B12R0.234 CC(O)CCSCCCCCC#N 62a_100012276601_100009813376 [0,2,0,0,0,0|1,0,1]=4 16082 B12R0.234 CC(O)CCSCCCCCC=O 62a_100000139337_100012276601 [0,2,0,0,0,0|0,0,0]=2 16083 B12R0.234 CC(O)CCSCCCCCC=O 62a_100012276601_100000139337 [0,2,0,0,0,0|0,0,0]=2 16084 B12R0.234 CC(O)CCSCCCCCCF 62a_100012276601_100015922095 [0,2,0,0,0,0|1,0,1]=4 16085 B12R0.234 CC(O)CCSCCCCCCF 62a_100015922095_100012276601 [0,2,0,0,0,0|1,0,1]=4 16086 B12R0.234 CC(O)CCSCCCCCCO 62a_100000766143_100012276601 [0,2,0,0,0,0|0,0,2]=4 16087 B12R0.234 CC(O)CCSCCCCCCO 62a_100012276601_100000766143 [0,2,0,0,0,0|0,0,2]=4 16088 B12R0.234 CC(O)CNCCCCCCC#N 2230a_100000210904_100009813337 [0,2,0,0,0,0|1,0,1]=4 16089 B12R0.234 CC(O)CNCCCCCCCO 2230a_100000210904_100000760002 [0,2,0,0,0,0|0,0,2]=4 16090 B12R0.234 CC(O)CNCCCCCCCO 2230a_100011996573_100011218427 [0,2,0,0,0,0|0,0,2]=4 16091 B12R0.234 CC(O)CNCCCCCCCO 34a_100000210904_100000760002 [0,2,0,0,0,0|0,0,2]=4 16092 B12R0.234 CC(O)CNCCCCCCCO 34a_100011996573_100011218427 [0,2,0,0,0,0|0,0,2]=4 16093 B12R0.234 CC(O)COCCCCCCCBr 34a_100000760002_100011218427 [0,2,0,0,0,0|1,0,1]=4 16094 B12R0.234 CC(O)COCCCCCCCBr 7a_100000760002_100011218427 [0,2,0,0,0,0|1,0,1]=4 16095 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [0,2,0,0,0,0|1,0,1]=4 16096 B12R0.234 CC(O)CSCCCCCCC#N 62a_100009813337_100011218427 [0,2,0,0,0,0|1,0,1]=4 16097 B12R0.234 CC(O)CSCCCCCCC#N 62a_100011218427_100009813337 [0,2,0,0,0,0|1,0,1]=4 16098 B12R0.234 CC(O)CSCCCCCCCO 62a_100000760002_100011218427 [0,2,0,0,0,0|0,0,2]=4 16099 B12R0.234 CC(O)CSCCCCCCCO 62a_100011218427_100000760002 [0,2,0,0,0,0|0,0,2]=4 16100 B12R0.234 CC/C=C/CCCOCCC(=O)C 7a_100016287902_100000053229 [0,2,0,0,0,0|0,0,2]=4 16101 B12R0.234 CC/C=C/CCCOCCC(=O)N 34a_100016287902_100000731001 [0,2,0,0,0,0|0,0,2]=4 16102 B12R0.234 CC/C=C/CCCOCCC(=O)N 7a_100016287902_100000744528 [0,2,0,0,0,0|0,0,2]=4 16103 B12R0.234 CC/C=C\CCCCOCC(=O)N 34a_100016287862_100000187820 [0,2,0,0,0,0|0,0,2]=4 16104 B12R0.234 CC/C=C\CCCCOCC(=O)N 7a_100016287862_100000187820 [0,2,0,0,0,0|0,0,2]=4 16105 B12R0.234 CC/C=C\CCCCOCC(=O)[O-] 34a_100016287862_100020667443 [0,2,0,0,0,0|0,0,2]=4 16106 B12R0.234 CC/C=C\CCNCCCC(=O)N 34a_100000739312_100015370543 [0,2,0,0,0,0|0,0,2]=4 16107 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100000759063_100015370543 [0,2,0,0,0,0|0,0,2]=4 16108 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100016288707_100000685027 [0,2,0,0,0,0|0,0,2]=4 16109 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100000759063_100015370543 [0,2,0,0,0,0|0,0,2]=4 16110 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100016288707_100011215641 [0,2,0,0,0,0|0,0,2]=4 16111 B12R0.234 CC/C=C\CCOCCCC(=O)N 34a_100016288707_100102525003 [0,2,0,0,0,0|0,0,2]=4 16112 B12R0.234 CC/C=C\CCOCCCC(=O)N 7a_100016288707_100102525003 [0,2,0,0,0,0|0,0,2]=4 16113 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100011215641_100015370543 [0,2,0,0,0,0|0,0,2]=4 16114 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100015370543_100011215641 [0,2,0,0,0,0|0,0,2]=4 16115 B12R0.234 CC/C=C\CCSCCCC(=O)N 62a_100015370543_100102525003 [0,2,0,0,0,0|0,0,2]=4 16116 B12R0.234 CC/C=C\CCSCCCC(=O)N 62a_100102525003_100015370543 [0,2,0,0,0,0|0,0,2]=4 16117 B12R0.234 CC/C=C\CNCCCCC(=O)N 34a_100000696515_100103147603 [0,2,0,0,0,0|0,0,2]=4 16118 B12R0.234 CC/C=C\COCCCCC(=O)C 34a_100016268518_100009817362 [0,2,0,0,0,0|0,0,2]=4 16119 B12R0.234 CC/C=C\COCCCCC(=O)N 34a_100012022536_100103147603 [0,2,0,0,0,0|0,0,2]=4 16120 B12R0.234 CC/C=C\COCCCCC(=O)N 7a_100012022536_100103147603 [0,2,0,0,0,0|0,0,2]=4 16121 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100000735457_100103147603 [0,2,0,0,0,0|0,0,2]=4 16122 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100103147603_100000735457 [0,2,0,0,0,0|0,0,2]=4 16123 B12R0.234 CC=CCCCOCCCC(=O)C 34a_100020645299_100000685027 [0,2,0,0,0,0|0,0,2]=4 16124 B12R0.234 CC=CCCCOCCCC(=O)N 34a_100020645299_100102525003 [0,2,0,0,0,0|0,0,2]=4 16125 B12R0.234 CC=CCCCOCCCC(C)C 34a_100020645299_100011214892 [0,2,0,0,0,0|1,0,1]=4 16126 B12R0.234 CC=CCCCOCCCC(C)O 34a_100020645299_200000718107 [0,2,0,0,0,0|1,0,1]=4 16127 B12R0.234 CC=CCNCCCCCC(C)C 2230a_100011290863_100000070051 [0,2,0,0,0,0|1,0,1]=4 16128 B12R0.234 CC=CCNCCCCCC(C)C 34a_100011290863_100000070051 [0,2,0,0,0,0|1,0,1]=4 16129 B12R0.234 CC=CCOCCCCCC(=O)N 34a_100000123541_100000070051 [0,2,0,0,0,0|0,0,2]=4 16130 B12R0.234 CC=CCOCCCCCC(=O)N 7a_100000123541_100000070051 [0,2,0,0,0,0|0,0,2]=4 16131 B12R0.234 CC=CCOCCCCCC(=O)[O-] 7a_100102619762_100000070051 [0,2,0,0,0,0|0,0,2]=4 16132 B12R0.234 CC=CCOCCCCCC(C)C 34a_100011995859_100000070051 [0,2,0,0,0,0|1,0,1]=4 16133 B12R0.234 CC=CCOCCCCCC(C)C 7a_100011995859_100000070051 [0,2,0,0,0,0|1,0,1]=4 16134 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100000070051_100009817443 [0,2,0,0,0,0|0,0,2]=4 16135 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100009817443_100000070051 [0,2,0,0,0,0|0,0,2]=4 16136 B12R0.234 CC=CCSCCCCCC(C)C 62a_100000070051_100000210682 [0,2,0,0,0,0|1,0,1]=4 16137 B12R0.234 CC=CCSCCCCCC(C)C 62a_100000210682_100000070051 [0,2,0,0,0,0|1,0,1]=4 16138 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [0,2,0,0,0,0|0,0,1]=3 16139 B12R0.234 CCC#CCCOCCCC(=O)C 34a_100000036655_100000685027 [0,2,0,0,0,0|0,0,2]=4 16140 B12R0.234 CCC#CCCOCCCC(=O)C 7a_100000036655_100011215641 [0,2,0,0,0,0|0,0,2]=4 16141 B12R0.234 CCC#CCCOCCCC(=O)N 34a_100000036655_100102525003 [0,2,0,0,0,0|0,0,2]=4 16142 B12R0.234 CCC#CCCOCCCC(=O)N 7a_100000036655_100102525003 [0,2,0,0,0,0|0,0,2]=4 16143 B12R0.234 CCC#CCNCCCCC(=O)N 34a_100000696515_100009813939 [0,2,0,0,0,0|0,0,2]=4 16144 B12R0.234 CCC#CCOCCCCC(=O)C 34a_100000032950_100009817362 [0,2,0,0,0,0|0,0,2]=4 16145 B12R0.234 CCC#CCOCCCCC(=O)N 34a_100012022536_100009813939 [0,2,0,0,0,0|0,0,2]=4 16146 B12R0.234 CCC#CCOCCCCC(=O)N 7a_100012022536_100009813939 [0,2,0,0,0,0|0,0,2]=4 16147 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100000735457_100009813939 [0,2,0,0,0,0|0,0,2]=4 16148 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100009813939_100000735457 [0,2,0,0,0,0|0,0,2]=4 16149 B12R0.234 CCC/C=C/COCCCC(=O)C 34a_100016278788_100000685027 [0,2,0,0,0,0|0,0,2]=4 16150 B12R0.234 CCC/C=C/COCCCC(=O)C 7a_100016278788_100011215641 [0,2,0,0,0,0|0,0,2]=4 16151 B12R0.234 CCC/C=C/COCCCC(=O)N 34a_100016278788_100102525003 [0,2,0,0,0,0|0,0,2]=4 16152 B12R0.234 CCC/C=C/COCCCC(=O)N 7a_100016278788_100102525003 [0,2,0,0,0,0|0,0,2]=4 16153 B12R0.234 CCCC#CCCOCCC(=O)C 7a_100000042726_100000053229 [0,2,0,0,0,0|0,0,2]=4 16154 B12R0.234 CCCC#CCCOCCC(=O)N 34a_100000042726_100000731001 [0,2,0,0,0,0|0,0,2]=4 16155 B12R0.234 CCCC#CCCOCCC(=O)N 7a_100000042726_100000744528 [0,2,0,0,0,0|0,0,2]=4 16156 B12R0.234 CCCC#CCOCCCC(=O)C 34a_100000034806_100000685027 [0,2,0,0,0,0|0,0,2]=4 16157 B12R0.234 CCCC#CCOCCCC(=O)C 7a_100000034806_100011215641 [0,2,0,0,0,0|0,0,2]=4 16158 B12R0.234 CCCC#CCOCCCC(=O)N 34a_100000034806_100102525003 [0,2,0,0,0,0|0,0,2]=4 16159 B12R0.234 CCCC#CCOCCCC(=O)N 7a_100000034806_100102525003 [0,2,0,0,0,0|0,0,2]=4 16160 B12R0.234 CCCC/C=C/COCCC(=O)C 7a_200016272032_100000053229 [0,2,0,0,0,0|0,0,2]=4 16161 B12R0.234 CCCC/C=C/COCCC(=O)N 34a_200016272032_100000731001 [0,2,0,0,0,0|0,0,2]=4 16162 B12R0.234 CCCC/C=C/COCCC(=O)N 7a_200016272032_100000744528 [0,2,0,0,0,0|0,0,2]=4 16163 B12R0.234 CCCC/C=C\CCOCC(=O)N 34a_200016286491_100000187820 [0,2,0,0,0,0|0,0,2]=4 16164 B12R0.234 CCCC/C=C\CCOCC(=O)N 7a_200016286491_100000187820 [0,2,0,0,0,0|0,0,2]=4 16165 B12R0.234 CCCC/C=C\CCOCC(=O)[O-] 34a_200016286491_100020667443 [0,2,0,0,0,0|0,0,2]=4 16166 B12R0.234 CCCCC#CCCOCC(=O)N 34a_100000037610_100000187820 [0,2,0,0,0,0|0,0,2]=4 16167 B12R0.234 CCCCC#CCCOCC(=O)N 7a_100000037610_100000187820 [0,2,0,0,0,0|0,0,2]=4 16168 B12R0.234 CCCCC#CCCOCC(=O)[O-] 34a_100000037610_100020667443 [0,2,0,0,0,0|0,0,2]=4 16169 B12R0.234 CCCCC#CCOCCC(=O)C 7a_200000034558_100000053229 [0,2,0,0,0,0|0,0,2]=4 16170 B12R0.234 CCCCC#CCOCCC(=O)N 34a_200000034558_100000731001 [0,2,0,0,0,0|0,0,2]=4 16171 B12R0.234 CCCCC#CCOCCC(=O)N 7a_200000034558_100000744528 [0,2,0,0,0,0|0,0,2]=4 16172 B12R0.234 CCCCC/C=C/COCC(=O)N 34a_100016258190_100000187820 [0,2,0,0,0,0|0,0,2]=4 16173 B12R0.234 CCCCC/C=C/COCC(=O)N 7a_100016258190_100000187820 [0,2,0,0,0,0|0,0,2]=4 16174 B12R0.234 CCCCC/C=C/COCC(=O)[O-] 34a_100016258190_100020667443 [0,2,0,0,0,0|0,0,2]=4 16175 B12R0.234 CCCCCC#CCNCC(=O)N 2230a_100000711301_100009816472 [0,2,0,0,0,0|0,0,2]=4 16176 B12R0.234 CCCCCC#CCNCC(=O)O 269956a_100016091260_100009816472 [0,2,0,0,0,0|0,0,2]=4 16177 B12R0.234 CCCCCC#CCOCC(=O)C 34a_100000211253_100009816472 [0,2,0,0,0,0|0,0,2]=4 16178 B12R0.234 CCCCCC#CCOCC(=O)N 34a_200000033628_100000187820 [0,2,0,0,0,0|0,0,2]=4 16179 B12R0.234 CCCCCC#CCOCC(=O)N 7a_200000033628_100000187820 [0,2,0,0,0,0|0,0,2]=4 16180 B12R0.234 CCCCCC#CCOCC(=O)[O-] 34a_200000033628_100020667443 [0,2,0,0,0,0|0,0,2]=4 16181 B12R0.234 CCCCCC#CCSCC(=O)N 62a_100000747473_100009816472 [0,2,0,0,0,0|0,0,2]=4 16182 B12R0.234 CCCCCC#CCSCC(=O)N 62a_100009816472_100000747473 [0,2,0,0,0,0|0,0,2]=4 16183 B12R0.234 CCCCCC#CCSCC(=O)[O-] 62a_100009816472_100020667443 [0,2,0,0,0,0|0,0,2]=4 16184 B12R0.234 CCCCCC#CCSCC(=O)[O-] 62a_100020667443_100009816472 [0,2,0,0,0,0|0,0,2]=4 16185 B12R0.234 CCCCCCCC=NNC(=O)C 4a_100000189765_100000210592 [0,2,0,0,0,0|1,0,1]=4 16186 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,2,0,0,0,0|0,0,1]=3 16187 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,2,0,0,0,0|0,0,1]=3 16188 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,2,0,0,0,0|0,0,0]=2 16189 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,2,0,0,0,0|0,0,0]=2 16190 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,2,0,0,0,0|0,0,0]=2 16191 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [0,2,0,0,0,0|1,0,1]=4 16192 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [0,2,0,0,0,0|1,0,1]=4 16193 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [0,2,0,0,0,0|1,0,1]=4 16194 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [0,2,0,0,0,0|1,0,1]=4 16195 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [0,2,0,0,0,0|1,0,1]=4 16196 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [0,2,0,0,0,0|1,0,1]=4 16197 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,2,0,0,0,0|0,0,0]=2 16198 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,2,0,0,0,0|0,0,0]=2 16199 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,2,0,0,0,0|0,0,0]=2 16200 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,2,0,0,0,0|0,0,0]=2 16201 B12R0.234 CCCCCCCCCNC(C)C 2230a_100000212291_100000210206 [0,2,0,0,0,0|1,0,1]=4 16202 B12R0.234 CCCCCCCCCNC(C)C 2230a_100138425928_100011214924 [0,2,0,0,0,0|1,0,1]=4 16203 B12R0.234 CCCCCCCCCNC(C)C 34a_100000212291_100000210206 [0,2,0,0,0,0|1,0,1]=4 16204 B12R0.234 CCCCCCCCCNC(C)C 34a_100138425928_100011214924 [0,2,0,0,0,0|1,0,1]=4 16205 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [0,2,0,0,0,0|1,0,1]=4 16206 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [0,2,0,0,0,0|1,0,1]=4 16207 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [0,2,0,0,0,0|1,0,1]=4 16208 B12R0.234 CCCCCCCCCSC(C)C 62a_100000210206_100000210670 [0,2,0,0,0,0|1,0,1]=4 16209 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,2,0,0,0,0|0,0,0]=2 16210 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,2,0,0,0,0|0,0,0]=2 16211 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,2,0,0,0,0|0,0,0]=2 16212 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,2,0,0,0,0|0,0,0]=2 16213 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,2,0,0,0,0|0,0,0]=2 16214 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000210953_100000210759 [0,2,0,0,0,0|1,0,1]=4 16215 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000229939_100000210760 [0,2,0,0,0,0|1,0,1]=4 16216 B12R0.234 CCCCCCCCNCC(C)C 270004a_100000229939_100000210432 [0,2,0,0,0,0|1,0,1]=4 16217 B12R0.234 CCCCCCCCNCC(C)C 34a_100000210953_100000210759 [0,2,0,0,0,0|1,0,1]=4 16218 B12R0.234 CCCCCCCCNCC(C)C 34a_100000229939_100000210624 [0,2,0,0,0,0|1,0,1]=4 16219 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,2,0,0,0,0|0,0,2]=4 16220 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,2,0,0,0,0|0,0,2]=4 16221 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,2,0,0,0,0|0,0,2]=4 16222 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,2,0,0,0,0|0,0,2]=4 16223 B12R0.234 CCCCCCCCNCC(F)F 2230a_100000229939_100011934356 [0,2,0,0,0,0|1,0,1]=4 16224 B12R0.234 CCCCCCCCNCC(F)F 34a_100000229939_100011934356 [0,2,0,0,0,0|1,0,1]=4 16225 B12R0.234 CCCCCCCCNCC(F)F 34a_100000765723_100000210759 [0,2,0,0,0,0|1,0,1]=4 16226 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,2,0,0,0,0|0,0,2]=4 16227 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,2,0,0,0,0|0,0,2]=4 16228 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [0,2,0,0,0,0|1,0,0]=3 16229 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,2,0,0,0,0|0,0,0]=2 16230 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,2,0,0,0,0|0,0,0]=2 16231 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,2,0,0,0,0|0,0,0]=2 16232 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,2,0,0,0,0|0,0,0]=2 16233 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,2,0,0,0,0|0,0,0]=2 16234 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,2,0,0,0,0|0,0,0]=2 16235 B12R0.234 CCCCCCCCOCC(C)Br 34a_100012180447_100000210759 [0,2,0,0,0,0|1,0,1]=4 16236 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210232_100000210624 [0,2,0,0,0,0|1,0,1]=4 16237 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210257_100000210759 [0,2,0,0,0,0|1,0,1]=4 16238 B12R0.234 CCCCCCCCOCC(C)C 7a_100000210232_100000210760 [0,2,0,0,0,0|1,0,1]=4 16239 B12R0.234 CCCCCCCCOCC(C)F 34a_100015925927_100000210759 [0,2,0,0,0,0|1,0,1]=4 16240 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,2,0,0,0,0|0,0,2]=4 16241 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,2,0,0,0,0|0,0,2]=4 16242 B12R0.234 CCCCCCCCOCC(F)F 34a_100000210232_100011934356 [0,2,0,0,0,0|1,0,1]=4 16243 B12R0.234 CCCCCCCCOCC(F)F 34a_100000743014_100000210759 [0,2,0,0,0,0|1,0,1]=4 16244 B12R0.234 CCCCCCCCOCC(F)F 7a_100000210232_100011934356 [0,2,0,0,0,0|1,0,1]=4 16245 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [0,2,0,0,0,0|1,0,1]=4 16246 B12R0.234 CCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210759 [0,2,0,0,0,0|1,0,1]=4 16247 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,2,0,0,0,0|0,0,2]=4 16248 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,2,0,0,0,0|0,0,2]=4 16249 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [0,2,0,0,0,0|1,0,0]=3 16250 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,2,0,0,0,0|0,0,0]=2 16251 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,2,0,0,0,0|0,0,0]=2 16252 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,2,0,0,0,0|0,0,0]=2 16253 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,2,0,0,0,0|0,0,0]=2 16254 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210624_100000210317 [0,2,0,0,0,0|1,0,1]=4 16255 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210759_100000210760 [0,2,0,0,0,0|1,0,1]=4 16256 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,2,0,0,0,0|0,0,2]=4 16257 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,2,0,0,0,0|0,0,2]=4 16258 B12R0.234 CCCCCCCCSCC(F)F 62a_100000210759_100011934356 [0,2,0,0,0,0|1,0,1]=4 16259 B12R0.234 CCCCCCCCSCC(F)F 62a_100011934356_100000210317 [0,2,0,0,0,0|1,0,1]=4 16260 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,2,0,0,0,0|0,0,2]=4 16261 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,2,0,0,0,0|0,0,2]=4 16262 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [0,2,0,0,0,0|1,0,0]=3 16263 B12R0.234 CCCCCCCNCC=C(C)C 2230a_100000229938_100000761012 [0,2,0,0,0,0|1,0,1]=4 16264 B12R0.234 CCCCCCCNCC=C(C)C 34a_100000718196_100000210614 [0,2,0,0,0,0|1,0,1]=4 16265 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,2,0,0,0,0|0,0,0]=2 16266 B12R0.234 CCCCCCCNCCC(C)C 2230a_100000229938_100000210312 [0,2,0,0,0,0|1,0,1]=4 16267 B12R0.234 CCCCCCCNCCC(C)C 269862a_100000229938_100000185833 [0,2,0,0,0,0|1,0,1]=4 16268 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [0,2,0,0,0,0|0,0,2]=4 16269 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [0,2,0,0,0,0|0,0,2]=4 16270 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,2,0,0,0,0|1,0,0]=3 16271 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000210272_100000761012 [0,2,0,0,0,0|1,0,1]=4 16272 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000753907_100000210614 [0,2,0,0,0,0|1,0,1]=4 16273 B12R0.234 CCCCCCCOCC=C(C)C 7a_100000210272_100000761012 [0,2,0,0,0,0|1,0,1]=4 16274 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,2,0,0,0,0|0,0,0]=2 16275 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,2,0,0,0,0|0,0,0]=2 16276 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,2,0,0,0,0|0,0,0]=2 16277 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,2,0,0,0,0|0,0,0]=2 16278 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,2,0,0,0,0|0,0,0]=2 16279 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,2,0,0,0,0|0,0,0]=2 16280 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,2,0,0,0,0|0,0,0]=2 16281 B12R0.234 CCCCCCCOCCC(C)Br 34a_100009893172_100000210614 [0,2,0,0,0,0|1,0,1]=4 16282 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210254_100000210614 [0,2,0,0,0,0|1,0,1]=4 16283 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210272_100000210312 [0,2,0,0,0,0|1,0,1]=4 16284 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210254_100000210614 [0,2,0,0,0,0|1,0,1]=4 16285 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210272_100000210626 [0,2,0,0,0,0|1,0,1]=4 16286 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,2,0,0,0,0|0,0,2]=4 16287 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,2,0,0,0,0|0,0,2]=4 16288 B12R0.234 CCCCCCCOCCC(F)F 34a_100103093639_100000210614 [0,2,0,0,0,0|1,0,1]=4 16289 B12R0.234 CCCCCCCOCCN(C)C 7a_100000210272_100000755713 [0,2,0,0,0,0|2,0,0]=4 16290 B12R0.234 CCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210614 [0,2,0,0,0,0|1,0,1]=4 16291 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [0,2,0,0,0,0|1,0,0]=3 16292 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000210614_100000761012 [0,2,0,0,0,0|1,0,1]=4 16293 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000761012_100000210316 [0,2,0,0,0,0|1,0,1]=4 16294 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,2,0,0,0,0|0,0,0]=2 16295 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,2,0,0,0,0|0,0,0]=2 16296 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,2,0,0,0,0|0,0,0]=2 16297 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,2,0,0,0,0|0,0,0]=2 16298 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210312_100000210316 [0,2,0,0,0,0|1,0,1]=4 16299 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210614_100000210312 [0,2,0,0,0,0|1,0,1]=4 16300 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [0,2,0,0,0,0|0,0,2]=4 16301 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [0,2,0,0,0,0|0,0,2]=4 16302 B12R0.234 CCCCCCCSCCN(C)C 62a_100000210614_100000755713 [0,2,0,0,0,0|2,0,0]=4 16303 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [0,2,0,0,0,0|1,0,0]=3 16304 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [0,2,0,0,0,0|1,0,0]=3 16305 B12R0.234 CCCCCCNCCC=C(C)C 2230a_100000210581_100011217483 [0,2,0,0,0,0|1,0,1]=4 16306 B12R0.234 CCCCCCNCCC=C(F)F 2230a_100000210581_200009816681 [0,2,0,0,0,0|1,0,1]=4 16307 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,2,0,0,0,0|0,0,0]=2 16308 B12R0.234 CCCCCCNCCCC(C)C 2230a_100000210581_100011214892 [0,2,0,0,0,0|1,0,1]=4 16309 B12R0.234 CCCCCCNCCCC(C)C 2230a_200000737386_100000210314 [0,2,0,0,0,0|1,0,1]=4 16310 B12R0.234 CCCCCCNCCCC(C)C 34a_200000737386_100000210314 [0,2,0,0,0,0|1,0,1]=4 16311 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [0,2,0,0,0,0|0,0,2]=4 16312 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [0,2,0,0,0,0|1,0,0]=3 16313 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [0,2,0,0,0,0|1,0,0]=3 16314 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [0,2,0,0,0,0|1,0,0]=3 16315 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [0,2,0,0,0,0|1,0,0]=3 16316 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [0,2,0,0,0,0|1,0,0]=3 16317 B12R0.234 CCCCCCOCCC=C(C)C 34a_100000210259_100011217483 [0,2,0,0,0,0|1,0,1]=4 16318 B12R0.234 CCCCCCOCCC=C(C)C 7a_100000210259_100011217483 [0,2,0,0,0,0|1,0,1]=4 16319 B12R0.234 CCCCCCOCCC=C(F)F 34a_100000210259_200009816681 [0,2,0,0,0,0|1,0,1]=4 16320 B12R0.234 CCCCCCOCCC=C(F)F 7a_100000210259_200009816681 [0,2,0,0,0,0|1,0,1]=4 16321 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,2,0,0,0,0|0,0,0]=2 16322 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,2,0,0,0,0|0,0,0]=2 16323 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,2,0,0,0,0|0,0,0]=2 16324 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,2,0,0,0,0|0,0,0]=2 16325 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,2,0,0,0,0|0,0,0]=2 16326 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,2,0,0,0,0|0,0,0]=2 16327 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210259_100011214892 [0,2,0,0,0,0|1,0,1]=4 16328 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210774_100000210314 [0,2,0,0,0,0|1,0,1]=4 16329 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210259_100011214892 [0,2,0,0,0,0|1,0,1]=4 16330 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210774_100000210314 [0,2,0,0,0,0|1,0,1]=4 16331 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [0,2,0,0,0,0|0,0,2]=4 16332 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [0,2,0,0,0,0|0,0,2]=4 16333 B12R0.234 CCCCCCOCCCN(C)C 7a_100000210259_100000757444 [0,2,0,0,0,0|2,0,0]=4 16334 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [0,2,0,0,0,0|1,0,0]=3 16335 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,2,0,0,0,0|1,0,0]=3 16336 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,2,0,0,0,0|1,0,0]=3 16337 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [0,2,0,0,0,0|1,0,0]=3 16338 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [0,2,0,0,0,0|1,0,0]=3 16339 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,2,0,0,0,0|1,0,0]=3 16340 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,2,0,0,0,0|1,0,0]=3 16341 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [0,2,0,0,0,0|1,0,0]=3 16342 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [0,2,0,0,0,0|1,0,0]=3 16343 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [0,2,0,0,0,0|1,0,0]=3 16344 B12R0.234 CCCCCCSCCC=C(C)C 62a_100000210314_100011217483 [0,2,0,0,0,0|1,0,1]=4 16345 B12R0.234 CCCCCCSCCC=C(C)C 62a_100011217483_100000210757 [0,2,0,0,0,0|1,0,1]=4 16346 B12R0.234 CCCCCCSCCC=C(F)F 62a_100000210314_200009816681 [0,2,0,0,0,0|1,0,1]=4 16347 B12R0.234 CCCCCCSCCC=C(F)F 62a_200009816681_100000210757 [0,2,0,0,0,0|1,0,1]=4 16348 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,2,0,0,0,0|0,0,0]=2 16349 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,2,0,0,0,0|0,0,0]=2 16350 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,2,0,0,0,0|0,0,0]=2 16351 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,2,0,0,0,0|0,0,0]=2 16352 B12R0.234 CCCCCCSCCCC(C)C 62a_100000210314_100011214892 [0,2,0,0,0,0|1,0,1]=4 16353 B12R0.234 CCCCCCSCCCC(C)C 62a_100011214892_100000210757 [0,2,0,0,0,0|1,0,1]=4 16354 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [0,2,0,0,0,0|0,0,2]=4 16355 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [0,2,0,0,0,0|0,0,2]=4 16356 B12R0.234 CCCCCCSCCCN(C)C 62a_100000210314_100000757444 [0,2,0,0,0,0|2,0,0]=4 16357 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [0,2,0,0,0,0|1,0,0]=3 16358 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [0,2,0,0,0,0|1,0,0]=3 16359 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [0,2,0,0,0,0|1,0,0]=3 16360 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [0,2,0,0,0,0|1,0,0]=3 16361 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [0,2,0,0,0,0|1,0,0]=3 16362 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [0,2,0,0,0,0|1,0,0]=3 16363 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [0,2,0,0,0,0|1,0,0]=3 16364 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [0,2,0,0,0,0|1,0,0]=3 16365 B12R0.234 CCCCCNCCCCB(O)O 2230a_100000209983_200009817182 [0,2,0,0,0,0|1,0,1]=4 16366 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,2,0,0,0,0|0,0,0]=2 16367 B12R0.234 CCCCCNCCCCC(C)C 2230a_100000209983_100011216152 [0,2,0,0,0,0|1,0,1]=4 16368 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,2,0,0,0,0|1,0,0]=3 16369 B12R0.234 CCCCCNCCCOC(=S)C 2230a_100000209983_200135323944 [0,2,0,0,0,0|1,1,0]=4 16370 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,2,0,0,0,0|1,0,0]=3 16371 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [0,2,0,0,0,0|1,0,0]=3 16372 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [0,2,0,0,0,0|1,0,0]=3 16373 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,2,0,0,0,0|1,0,0]=3 16374 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [0,2,0,0,0,0|1,0,0]=3 16375 B12R0.234 CCCCCNCCOC[N+](=O)[O-] 34a_100000224656_100000761209 [0,2,0,0,0,0|2,0,0]=4 16376 B12R0.234 CCCCCOCCCCB(O)O 34a_100000210253_200009817182 [0,2,0,0,0,0|1,0,1]=4 16377 B12R0.234 CCCCCOCCCCB(O)O 7a_100000210253_200009817182 [0,2,0,0,0,0|1,0,1]=4 16378 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,2,0,0,0,0|0,0,0]=2 16379 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,2,0,0,0,0|0,0,0]=2 16380 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,2,0,0,0,0|0,0,0]=2 16381 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,2,0,0,0,0|0,0,0]=2 16382 B12R0.234 CCCCCOCCCCC(C)C 34a_100000210253_100011216152 [0,2,0,0,0,0|1,0,1]=4 16383 B12R0.234 CCCCCOCCCCC(C)C 34a_100011214890_100000718602 [0,2,0,0,0,0|1,0,1]=4 16384 B12R0.234 CCCCCOCCCCC(C)C 7a_100000210253_100011216152 [0,2,0,0,0,0|1,0,1]=4 16385 B12R0.234 CCCCCOCCCCC(C)C 7a_100011214890_100000210326 [0,2,0,0,0,0|1,0,1]=4 16386 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [0,2,0,0,0,0|1,0,0]=3 16387 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [0,2,0,0,0,0|1,0,0]=3 16388 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,2,0,0,0,0|1,0,0]=3 16389 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,2,0,0,0,0|1,0,0]=3 16390 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,2,0,0,0,0|1,0,0]=3 16391 B12R0.234 CCCCCOCCCOC(=S)C 34a_100000210253_200135323944 [0,2,0,0,0,0|1,1,0]=4 16392 B12R0.234 CCCCCOCCCOC(=S)C 7a_100000210253_200135323944 [0,2,0,0,0,0|1,1,0]=4 16393 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,2,0,0,0,0|1,0,0]=3 16394 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,2,0,0,0,0|1,0,0]=3 16395 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [0,2,0,0,0,0|1,0,0]=3 16396 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [0,2,0,0,0,0|1,0,0]=3 16397 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [0,2,0,0,0,0|1,0,0]=3 16398 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [0,2,0,0,0,0|1,0,0]=3 16399 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [0,2,0,0,0,0|1,0,0]=3 16400 B12R0.234 CCCCCOCCOC[N+](=O)[O-] 34a_100011215259_100000761209 [0,2,0,0,0,0|2,0,0]=4 16401 B12R0.234 CCCCCSCCCCB(O)O 62a_100000210326_200009817182 [0,2,0,0,0,0|1,0,1]=4 16402 B12R0.234 CCCCCSCCCCB(O)O 62a_200009817182_100000210326 [0,2,0,0,0,0|1,0,1]=4 16403 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,2,0,0,0,0|0,0,0]=2 16404 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,2,0,0,0,0|0,0,0]=2 16405 B12R0.234 CCCCCSCCCCC(C)C 62a_100000210326_100011216152 [0,2,0,0,0,0|1,0,1]=4 16406 B12R0.234 CCCCCSCCCCC(C)C 62a_100011216152_100000210326 [0,2,0,0,0,0|1,0,1]=4 16407 B12R0.234 CCCCCSCCCCN(C)C 62a_100000210326_100000690147 [0,2,0,0,0,0|2,0,0]=4 16408 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,2,0,0,0,0|1,0,0]=3 16409 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,2,0,0,0,0|1,0,0]=3 16410 B12R0.234 CCCCCSCCCOC(=S)C 62a_100000210326_200135323944 [0,2,0,0,0,0|1,1,0]=4 16411 B12R0.234 CCCCCSCCCOC(=S)C 62a_200135323944_100000210326 [0,2,0,0,0,0|1,1,0]=4 16412 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,2,0,0,0,0|1,0,0]=3 16413 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,2,0,0,0,0|1,0,0]=3 16414 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [0,2,0,0,0,0|1,0,0]=3 16415 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [0,2,0,0,0,0|1,0,0]=3 16416 B12R0.234 CCCCNCCCCCB(O)O 2230a_100000102301_200009817188 [0,2,0,0,0,0|1,0,1]=4 16417 B12R0.234 CCCCNCCCCCB(O)O 7a_106832991798_200009817188 [0,2,0,0,0,0|1,0,1]=4 16418 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,2,0,0,0,0|0,0,0]=2 16419 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,2,0,0,0,0|0,0,0]=2 16420 B12R0.234 CCCCNCCCCCC(C)C 2230a_100000102301_100000210682 [0,2,0,0,0,0|1,0,1]=4 16421 B12R0.234 CCCCNCCCCCC(C)C 2230a_100011290863_100000210211 [0,2,0,0,0,0|1,0,1]=4 16422 B12R0.234 CCCCNCCCCCC(C)C 34a_100011290863_100000210210 [0,2,0,0,0,0|1,0,1]=4 16423 B12R0.234 CCCCNCCCCCC(C)C 7a_106832991798_100000210682 [0,2,0,0,0,0|1,0,1]=4 16424 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [0,2,0,0,0,0|1,0,0]=3 16425 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [0,2,0,0,0,0|1,0,0]=3 16426 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [0,2,0,0,0,0|1,0,0]=3 16427 B12R0.234 CCCCNCCCCO[N+](=O)[O-] 7a_106832991798_100015694321 [0,2,0,0,0,0|2,0,0]=4 16428 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [0,2,0,0,0,0|1,0,0]=3 16429 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [0,2,0,0,0,0|1,0,0]=3 16430 B12R0.234 CCCCOCCCCCB(O)O 34a_100000210227_200009817188 [0,2,0,0,0,0|1,0,1]=4 16431 B12R0.234 CCCCOCCCCCB(O)O 7a_100000210227_200009817188 [0,2,0,0,0,0|1,0,1]=4 16432 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,2,0,0,0,0|0,0,0]=2 16433 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,2,0,0,0,0|0,0,0]=2 16434 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,2,0,0,0,0|0,0,0]=2 16435 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,2,0,0,0,0|0,0,0]=2 16436 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,2,0,0,0,0|0,0,0]=2 16437 B12R0.234 CCCCOCCCCCC(C)C 34a_100000210227_100000210682 [0,2,0,0,0,0|1,0,1]=4 16438 B12R0.234 CCCCOCCCCCC(C)C 34a_100011995859_100000210210 [0,2,0,0,0,0|1,0,1]=4 16439 B12R0.234 CCCCOCCCCCC(C)C 7a_100000210227_100000210682 [0,2,0,0,0,0|1,0,1]=4 16440 B12R0.234 CCCCOCCCCCC(C)C 7a_100011995859_100000210211 [0,2,0,0,0,0|1,0,1]=4 16441 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [0,2,0,0,0,0|1,0,0]=3 16442 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [0,2,0,0,0,0|1,0,0]=3 16443 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [0,2,0,0,0,0|1,0,0]=3 16444 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [0,2,0,0,0,0|1,0,0]=3 16445 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 34a_100000210227_100015694321 [0,2,0,0,0,0|2,0,0]=4 16446 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 7a_100000210227_100015694321 [0,2,0,0,0,0|2,0,0]=4 16447 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [0,2,0,0,0,0|1,0,0]=3 16448 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [0,2,0,0,0,0|1,0,0]=3 16449 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [0,2,0,0,0,0|1,0,0]=3 16450 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [0,2,0,0,0,0|1,0,0]=3 16451 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [0,2,0,0,0,0|1,0,0]=3 16452 B12R0.234 CCCCOCCCNC[N+](=O)[O-] 34a_200000211371_100000761209 [0,2,0,0,0,0|2,0,0]=4 16453 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [0,2,0,0,0,0|1,0,0]=3 16454 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [0,2,0,0,0,0|1,0,0]=3 16455 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [0,2,0,0,0,0|1,0,0]=3 16456 B12R0.234 CCCCOCCCOC[N+](=O)[O-] 34a_200011215613_100000761209 [0,2,0,0,0,0|2,0,0]=4 16457 B12R0.234 CCCCOCCNOCC(=O)O 269956a_100000106656_100000743108 [0,2,0,0,0,0|2,0,0]=4 16458 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [0,2,0,0,0,0|1,0,0]=3 16459 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [0,2,0,0,0,0|1,0,0]=3 16460 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [0,2,0,0,0,0|1,0,0]=3 16461 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [0,2,0,0,0,0|1,0,0]=3 16462 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [0,2,0,0,0,0|1,0,0]=3 16463 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [0,2,0,0,0,0|1,0,0]=3 16464 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [0,2,0,0,0,0|1,0,0]=3 16465 B12R0.234 CCCCOCCOCOC(=O)C 34a_100000210238_100009813279 [0,2,0,0,0,0|2,0,0]=4 16466 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [0,2,0,0,0,0|1,0,0]=3 16467 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [0,2,0,0,0,0|1,0,0]=3 16468 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [0,2,0,0,0,0|1,0,0]=3 16469 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [0,2,0,0,0,0|1,0,0]=3 16470 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000076356_100000743108 [0,2,0,0,0,0|2,0,0]=4 16471 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000743108_100000076356 [0,2,0,0,0,0|2,0,0]=4 16472 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [0,2,0,0,0,0|1,0,0]=3 16473 B12R0.234 CCCCOCNCCCS(=O)C 2230a_200000753449_100011995733 [0,2,0,0,0,0|2,0,0]=4 16474 B12R0.234 CCCCOCNCCNC(=O)C 2230a_100000209853_100011995733 [0,2,0,0,0,0|2,0,0]=4 16475 B12R0.234 CCCCOCNCCNC(=O)N 34a_100020590234_100011995733 [0,2,0,0,0,0|2,0,0]=4 16476 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [0,2,0,0,0,0|1,0,0]=3 16477 B12R0.234 CCCCOCOCCC[N+](=O)[O-] 34a_200000037920_100011995733 [0,2,0,0,0,0|2,0,0]=4 16478 B12R0.234 CCCCOCOCCNC(=O)C 34a_100000158858_100011995733 [0,2,0,0,0,0|2,0,0]=4 16479 B12R0.234 CCCCOCOCCNC(=O)N 34a_100000181757_100011995733 [0,2,0,0,0,0|2,0,0]=4 16480 B12R0.234 CCCCOCOCCOC(=O)C 34a_100000210227_100000076355 [0,2,0,0,0,0|2,0,0]=4 16481 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [0,2,0,0,0,0|1,0,0]=3 16482 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [0,2,0,0,0,0|1,0,0]=3 16483 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [0,2,0,0,0,0|1,0,0]=3 16484 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [0,2,0,0,0,0|1,0,0]=3 16485 B12R0.234 CCCCOCSCCNC(=O)C 62a_100000189650_100011995733 [0,2,0,0,0,0|2,0,0]=4 16486 B12R0.234 CCCCOCSCCNC(=O)C 62a_100011995733_100000189650 [0,2,0,0,0,0|2,0,0]=4 16487 B12R0.234 CCCCOCSCCNC(=O)N 62a_100011995733_200000034859 [0,2,0,0,0,0|2,0,0]=4 16488 B12R0.234 CCCCOCSCCNC(=O)N 62a_200000034859_100011995733 [0,2,0,0,0,0|2,0,0]=4 16489 B12R0.234 CCCCOCSCCOC(=O)C 62a_100009814007_100011995733 [0,2,0,0,0,0|2,0,0]=4 16490 B12R0.234 CCCCOCSCCOC(=O)C 62a_100011995733_100009814007 [0,2,0,0,0,0|2,0,0]=4 16491 B12R0.234 CCCCOCSCCOC(=O)N 62a_100011995733_200011214921 [0,2,0,0,0,0|2,0,0]=4 16492 B12R0.234 CCCCOCSCCOC(=O)N 62a_200011214921_100011995733 [0,2,0,0,0,0|2,0,0]=4 16493 B12R0.234 CCCCSCCCCCB(O)O 62a_100000210211_200009817188 [0,2,0,0,0,0|1,0,1]=4 16494 B12R0.234 CCCCSCCCCCB(O)O 62a_200009817188_100000210210 [0,2,0,0,0,0|1,0,1]=4 16495 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,2,0,0,0,0|0,0,0]=2 16496 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,2,0,0,0,0|0,0,0]=2 16497 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210211_100000210682 [0,2,0,0,0,0|1,0,1]=4 16498 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210682_100000210210 [0,2,0,0,0,0|1,0,1]=4 16499 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [0,2,0,0,0,0|1,0,0]=3 16500 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [0,2,0,0,0,0|1,0,0]=3 16501 B12R0.234 CCCCSCCCCO[N+](=O)[O-] 62a_100000210211_100015694321 [0,2,0,0,0,0|2,0,0]=4 16502 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [0,2,0,0,0,0|1,0,0]=3 16503 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [0,2,0,0,0,0|1,0,0]=3 16504 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [0,2,0,0,0,0|1,0,0]=3 16505 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [0,2,0,0,0,0|1,0,0]=3 16506 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [0,2,0,0,0,0|1,0,0]=3 16507 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [0,2,0,0,0,0|1,0,0]=3 16508 B12R0.234 CCCCSCCOCOC(=O)C 34a_200000230436_100009813279 [0,2,0,0,0,0|2,0,0]=4 16509 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000076355_100000210210 [0,2,0,0,0,0|2,0,0]=4 16510 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000210211_100000076355 [0,2,0,0,0,0|2,0,0]=4 16511 B12R0.234 CCCNCCCCCCC(C)C 2230a_100000211014_100000210303 [0,2,0,0,0,0|1,0,1]=4 16512 B12R0.234 CCCNCCCCCCC(C)C 34a_100000211014_100000210303 [0,2,0,0,0,0|1,0,1]=4 16513 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [0,2,0,0,0,0|1,0,0]=3 16514 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [0,2,0,0,0,0|1,0,0]=3 16515 B12R0.234 CCCOCCCCCCB(O)O 34a_100000210258_100009817187 [0,2,0,0,0,0|1,0,1]=4 16516 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [0,2,0,0,0,0|1,0,0]=3 16517 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [0,2,0,0,0,0|1,0,0]=3 16518 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [0,2,0,0,0,0|1,0,0]=3 16519 B12R0.234 CCCOCCCNCOC(=O)C 34a_100011217757_100009813279 [0,2,0,0,0,0|2,0,0]=4 16520 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [0,2,0,0,0,0|1,0,0]=3 16521 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [0,2,0,0,0,0|1,0,0]=3 16522 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [0,2,0,0,0,0|1,0,0]=3 16523 B12R0.234 CCCOCCNCCCS(=O)C 2230a_200000753449_100011215938 [0,2,0,0,0,0|2,0,0]=4 16524 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100000209853_100011215938 [0,2,0,0,0,0|2,0,0]=4 16525 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100161115042_100000189650 [0,2,0,0,0,0|2,0,0]=4 16526 B12R0.234 CCCOCCNCCNC(=O)N 2230a_100161115042_200000034859 [0,2,0,0,0,0|2,0,0]=4 16527 B12R0.234 CCCOCCNCCNC(=O)N 34a_100020590234_100011215938 [0,2,0,0,0,0|2,0,0]=4 16528 B12R0.234 CCCOCCNCCOC(=O)C 34a_100161115042_100009814007 [0,2,0,0,0,0|2,0,0]=4 16529 B12R0.234 CCCOCCNCCOC(=O)N 34a_100161115042_200011214921 [0,2,0,0,0,0|2,0,0]=4 16530 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [0,2,0,0,0,0|1,0,0]=3 16531 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [0,2,0,0,0,0|1,0,0]=3 16532 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [0,2,0,0,0,0|1,0,0]=3 16533 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [0,2,0,0,0,0|1,0,0]=3 16534 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [0,2,0,0,0,0|1,0,0]=3 16535 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [0,2,0,0,0,0|1,0,0]=3 16536 B12R0.234 CCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100011215938 [0,2,0,0,0,0|2,0,0]=4 16537 B12R0.234 CCCOCCOCCNC(=O)C 11a_200011904461_100015343762 [0,2,0,0,0,0|2,0,0]=4 16538 B12R0.234 CCCOCCOCCNC(=O)C 1626a_200011904461_100015343762 [0,2,0,0,0,0|2,0,0]=4 16539 B12R0.234 CCCOCCOCCNC(=O)C 240690a_200011904461_100015343762 [0,2,0,0,0,0|2,0,0]=4 16540 B12R0.234 CCCOCCOCCNC(=O)C 34a_100000158858_100011215938 [0,2,0,0,0,0|2,0,0]=4 16541 B12R0.234 CCCOCCOCCNC(=O)C 7a_100000752267_100000189650 [0,2,0,0,0,0|2,0,0]=4 16542 B12R0.234 CCCOCCOCCNC(=O)N 34a_100000181757_100011215938 [0,2,0,0,0,0|2,0,0]=4 16543 B12R0.234 CCCOCCOCCNC(=O)N 7a_100000752267_200000034859 [0,2,0,0,0,0|2,0,0]=4 16544 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000210258_200000083610 [0,2,0,0,0,0|2,0,0]=4 16545 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000752267_100009814007 [0,2,0,0,0,0|2,0,0]=4 16546 B12R0.234 CCCOCCOCCOC(=O)C 7a_100000752267_100009814007 [0,2,0,0,0,0|2,0,0]=4 16547 B12R0.234 CCCOCCOCCOC(=O)N 34a_100000752267_200011214921 [0,2,0,0,0,0|2,0,0]=4 16548 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000752267_200011214921 [0,2,0,0,0,0|2,0,0]=4 16549 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000766696_100011215938 [0,2,0,0,0,0|2,0,0]=4 16550 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [0,2,0,0,0,0|1,0,0]=3 16551 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [0,2,0,0,0,0|1,0,0]=3 16552 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [0,2,0,0,0,0|1,0,0]=3 16553 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [0,2,0,0,0,0|1,0,0]=3 16554 B12R0.234 CCCOCCSCCNC(=O)C 62a_100000189650_100011215938 [0,2,0,0,0,0|2,0,0]=4 16555 B12R0.234 CCCOCCSCCNC(=O)C 62a_100011215938_100000189650 [0,2,0,0,0,0|2,0,0]=4 16556 B12R0.234 CCCOCCSCCNC(=O)N 62a_100011215938_200000034859 [0,2,0,0,0,0|2,0,0]=4 16557 B12R0.234 CCCOCCSCCNC(=O)N 62a_200000034859_100011215938 [0,2,0,0,0,0|2,0,0]=4 16558 B12R0.234 CCCOCCSCCOC(=O)C 62a_100009814007_100011215938 [0,2,0,0,0,0|2,0,0]=4 16559 B12R0.234 CCCOCCSCCOC(=O)C 62a_100011215938_100009814007 [0,2,0,0,0,0|2,0,0]=4 16560 B12R0.234 CCCOCCSCCOC(=O)N 62a_100011215938_200011214921 [0,2,0,0,0,0|2,0,0]=4 16561 B12R0.234 CCCOCCSCCOC(=O)N 62a_200011214921_100011215938 [0,2,0,0,0,0|2,0,0]=4 16562 B12R0.234 CCCSCCCCCCB(O)O 62a_100000210303_100009817187 [0,2,0,0,0,0|1,0,1]=4 16563 B12R0.234 CCCSCCCCCCB(O)O 62a_100009817187_100000210303 [0,2,0,0,0,0|1,0,1]=4 16564 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [0,2,0,0,0,0|1,0,0]=3 16565 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [0,2,0,0,0,0|1,0,0]=3 16566 B12R0.234 CCCSCCNCCNC(=O)C 2230a_100020603323_100000189650 [0,2,0,0,0,0|2,0,0]=4 16567 B12R0.234 CCCSCCNCCNC(=O)N 2230a_100020603323_200000034859 [0,2,0,0,0,0|2,0,0]=4 16568 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [0,2,0,0,0,0|1,0,0]=3 16569 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [0,2,0,0,0,0|1,0,0]=3 16570 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [0,2,0,0,0,0|1,0,0]=3 16571 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [0,2,0,0,0,0|1,0,0]=3 16572 B12R0.234 CCCSCCOCCNC(=O)C 7a_200000230433_100000189650 [0,2,0,0,0,0|2,0,0]=4 16573 B12R0.234 CCCSCCOCCNC(=O)N 7a_200000230433_200000034859 [0,2,0,0,0,0|2,0,0]=4 16574 B12R0.234 CCCSCCOCCOC(=O)C 34a_200000230433_100009814007 [0,2,0,0,0,0|2,0,0]=4 16575 B12R0.234 CCCSCCOCCOC(=O)C 62a_100000210303_200000083610 [0,2,0,0,0,0|2,0,0]=4 16576 B12R0.234 CCCSCCOCCOC(=O)C 62a_200000083610_100000210303 [0,2,0,0,0,0|2,0,0]=4 16577 B12R0.234 CCCSCCOCCOC(=O)C 7a_200000230433_100009814007 [0,2,0,0,0,0|2,0,0]=4 16578 B12R0.234 CCCSCCOCCOC(=O)N 34a_200000230433_200011214921 [0,2,0,0,0,0|2,0,0]=4 16579 B12R0.234 CCCSCCOCCOC(=O)N 7a_200000230433_200011214921 [0,2,0,0,0,0|2,0,0]=4 16580 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [0,2,0,0,0,0|1,0,0]=3 16581 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [0,2,0,0,0,0|1,0,0]=3 16582 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [0,2,0,0,0,0|2,0,0]=4 16583 B12R0.234 CCOCCCCCCCC(C)C 34a_200000210741_100000210202 [0,2,0,0,0,0|1,0,1]=4 16584 B12R0.234 CCOCCCCCCCC(C)C 7a_200000210741_100000210202 [0,2,0,0,0,0|1,0,1]=4 16585 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [0,2,0,0,0,0|1,0,0]=3 16586 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [0,2,0,0,0,0|1,0,0]=3 16587 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [0,2,0,0,0,0|1,0,0]=3 16588 B12R0.234 CCOCCCNCCCS(=O)C 2230a_200000753449_100012232248 [0,2,0,0,0,0|2,0,0]=4 16589 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000209853_100012232248 [0,2,0,0,0,0|2,0,0]=4 16590 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000210961_100000189650 [0,2,0,0,0,0|2,0,0]=4 16591 B12R0.234 CCOCCCNCCNC(=O)N 2230a_100000210961_200000034859 [0,2,0,0,0,0|2,0,0]=4 16592 B12R0.234 CCOCCCNCCNC(=O)N 34a_100020590234_100012232248 [0,2,0,0,0,0|2,0,0]=4 16593 B12R0.234 CCOCCCNCCOC(=O)C 34a_100000210961_100009814007 [0,2,0,0,0,0|2,0,0]=4 16594 B12R0.234 CCOCCCNCCOC(=O)N 34a_100000210961_200011214921 [0,2,0,0,0,0|2,0,0]=4 16595 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [0,2,0,0,0,0|1,0,0]=3 16596 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [0,2,0,0,0,0|1,0,0]=3 16597 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [0,2,0,0,0,0|1,0,0]=3 16598 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [0,2,0,0,0,0|1,0,0]=3 16599 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [0,2,0,0,0,0|1,0,0]=3 16600 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [0,2,0,0,0,0|1,0,0]=3 16601 B12R0.234 CCOCCCOCCC[N+](=O)[O-] 34a_200000037920_100012232248 [0,2,0,0,0,0|2,0,0]=4 16602 B12R0.234 CCOCCCOCCNC(=O)C 34a_100000158858_100012232248 [0,2,0,0,0,0|2,0,0]=4 16603 B12R0.234 CCOCCCOCCNC(=O)C 7a_100000757476_100000189650 [0,2,0,0,0,0|2,0,0]=4 16604 B12R0.234 CCOCCCOCCNC(=O)N 34a_100000181757_100012232248 [0,2,0,0,0,0|2,0,0]=4 16605 B12R0.234 CCOCCCOCCNC(=O)N 7a_100000757476_200000034859 [0,2,0,0,0,0|2,0,0]=4 16606 B12R0.234 CCOCCCOCCOC(=O)C 34a_100000757476_100009814007 [0,2,0,0,0,0|2,0,0]=4 16607 B12R0.234 CCOCCCOCCOC(=O)C 7a_100000757476_100009814007 [0,2,0,0,0,0|2,0,0]=4 16608 B12R0.234 CCOCCCOCCOC(=O)N 34a_100000757476_200011214921 [0,2,0,0,0,0|2,0,0]=4 16609 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000757476_200011214921 [0,2,0,0,0,0|2,0,0]=4 16610 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000766696_100012232248 [0,2,0,0,0,0|2,0,0]=4 16611 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [0,2,0,0,0,0|1,0,0]=3 16612 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [0,2,0,0,0,0|1,0,0]=3 16613 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [0,2,0,0,0,0|1,0,0]=3 16614 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [0,2,0,0,0,0|1,0,0]=3 16615 B12R0.234 CCOCCCSCCNC(=O)C 62a_100000189650_100012232248 [0,2,0,0,0,0|2,0,0]=4 16616 B12R0.234 CCOCCCSCCNC(=O)C 62a_100012232248_100000189650 [0,2,0,0,0,0|2,0,0]=4 16617 B12R0.234 CCOCCCSCCNC(=O)N 62a_100012232248_200000034859 [0,2,0,0,0,0|2,0,0]=4 16618 B12R0.234 CCOCCCSCCNC(=O)N 62a_200000034859_100012232248 [0,2,0,0,0,0|2,0,0]=4 16619 B12R0.234 CCOCCCSCCOC(=O)C 62a_100009814007_100012232248 [0,2,0,0,0,0|2,0,0]=4 16620 B12R0.234 CCOCCCSCCOC(=O)C 62a_100012232248_100009814007 [0,2,0,0,0,0|2,0,0]=4 16621 B12R0.234 CCOCCCSCCOC(=O)N 62a_100012232248_200011214921 [0,2,0,0,0,0|2,0,0]=4 16622 B12R0.234 CCOCCCSCCOC(=O)N 62a_200011214921_100012232248 [0,2,0,0,0,0|2,0,0]=4 16623 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [0,2,0,0,0,0|1,0,0]=3 16624 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [0,2,0,0,0,0|1,0,0]=3 16625 B12R0.234 CCOCCNCCCNC(=O)C 34a_100000736810_100000210147 [0,2,0,0,0,0|2,0,0]=4 16626 B12R0.234 CCOCCNCCCOC(=O)C 34a_102516460346_100000042594 [0,2,0,0,0,0|2,0,0]=4 16627 B12R0.234 CCOCCNCCCSC(=O)C 2230a_102516460346_100000038929 [0,2,0,0,0,0|2,0,0]=4 16628 B12R0.234 CCOCCNCCCSC(=O)C 34a_102516460346_100000038929 [0,2,0,0,0,0|2,0,0]=4 16629 B12R0.234 CCOCCNCCOCC(=O)N 2230a_102516460346_100000076697 [0,2,0,0,0,0|2,0,0]=4 16630 B12R0.234 CCOCCNCCOCC(=O)N 34a_102516460346_100000076697 [0,2,0,0,0,0|2,0,0]=4 16631 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [0,2,0,0,0,0|2,0,0]=4 16632 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [0,2,0,0,0,0|1,0,0]=3 16633 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [0,2,0,0,0,0|1,0,0]=3 16634 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [0,2,0,0,0,0|1,0,0]=3 16635 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [0,2,0,0,0,0|1,0,0]=3 16636 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210147 [0,2,0,0,0,0|2,0,0]=4 16637 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215890 [0,2,0,0,0,0|2,0,0]=4 16638 B12R0.234 CCOCCOCCCNC(=O)C 34a_100000752032_100000210147 [0,2,0,0,0,0|2,0,0]=4 16639 B12R0.234 CCOCCOCCCOC(=O)C 34a_100000210136_100000042594 [0,2,0,0,0,0|2,0,0]=4 16640 B12R0.234 CCOCCOCCCOC(=O)C 7a_100000210136_100000042594 [0,2,0,0,0,0|2,0,0]=4 16641 B12R0.234 CCOCCOCCCSC(=O)C 34a_100000210136_100000038929 [0,2,0,0,0,0|2,0,0]=4 16642 B12R0.234 CCOCCOCCCSC(=O)C 7a_100000210136_100000038929 [0,2,0,0,0,0|2,0,0]=4 16643 B12R0.234 CCOCCOCCNCC(=O)N 2230a_100000711301_100011211534 [0,2,0,0,0,0|2,0,0]=4 16644 B12R0.234 CCOCCOCCNCC(=O)N 2230a_100102712874_100000747473 [0,2,0,0,0,0|2,0,0]=4 16645 B12R0.234 CCOCCOCCNCC(=O)N 34a_100102712874_100000187820 [0,2,0,0,0,0|2,0,0]=4 16646 B12R0.234 CCOCCOCCNCC(=O)O 269956a_100016091260_100011211534 [0,2,0,0,0,0|2,0,0]=4 16647 B12R0.234 CCOCCOCCNCC(=O)[O-] 34a_100102712874_100020667443 [0,2,0,0,0,0|2,0,0]=4 16648 B12R0.234 CCOCCOCCOCC(=O)C 34a_100000211253_100011211534 [0,2,0,0,0,0|2,0,0]=4 16649 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210136_100000076697 [0,2,0,0,0,0|2,0,0]=4 16650 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210240_100000187820 [0,2,0,0,0,0|2,0,0]=4 16651 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210136_100000076697 [0,2,0,0,0,0|2,0,0]=4 16652 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210240_100000187820 [0,2,0,0,0,0|2,0,0]=4 16653 B12R0.234 CCOCCOCCOCC(=O)[O-] 34a_100000210240_100020667443 [0,2,0,0,0,0|2,0,0]=4 16654 B12R0.234 CCOCCOCCSCC(=O)N 62a_100000747473_100011211534 [0,2,0,0,0,0|2,0,0]=4 16655 B12R0.234 CCOCCOCCSCC(=O)N 62a_100011211534_100000747473 [0,2,0,0,0,0|2,0,0]=4 16656 B12R0.234 CCOCCOCCSCC(=O)[O-] 62a_100011211534_100020667443 [0,2,0,0,0,0|2,0,0]=4 16657 B12R0.234 CCOCCOCCSCC(=O)[O-] 62a_100020667443_100011211534 [0,2,0,0,0,0|2,0,0]=4 16658 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [0,2,0,0,0,0|1,0,0]=3 16659 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [0,2,0,0,0,0|1,0,0]=3 16660 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000042594_100011215890 [0,2,0,0,0,0|2,0,0]=4 16661 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000210147_100000042594 [0,2,0,0,0,0|2,0,0]=4 16662 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000038929_100011215890 [0,2,0,0,0,0|2,0,0]=4 16663 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000210147_100000038929 [0,2,0,0,0,0|2,0,0]=4 16664 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000076697_100011215890 [0,2,0,0,0,0|2,0,0]=4 16665 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000210147_100000076697 [0,2,0,0,0,0|2,0,0]=4 16666 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [0,2,0,0,0,0|1,0,0]=3 16667 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [0,2,0,0,0,0|1,0,0]=3 16668 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000033659_100000739092 [0,2,0,0,0,0|2,0,0]=4 16669 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000739092_100000033659 [0,2,0,0,0,0|2,0,0]=4 16670 B12R0.234 CCOCSCCCCSC(=O)C 62a_100000739092_200010402107 [0,2,0,0,0,0|2,0,0]=4 16671 B12R0.234 CCOCSCCCCSC(=O)C 62a_200010402107_100000739092 [0,2,0,0,0,0|2,0,0]=4 16672 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [0,2,0,0,0,0|1,0,0]=3 16673 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [0,2,0,0,0,0|1,0,0]=3 16674 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [0,2,0,0,0,0|1,0,0]=3 16675 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [0,2,0,0,0,0|1,0,0]=3 16676 B12R0.234 CCSCCCOCCNC(=O)C 7a_100011216438_100000189650 [0,2,0,0,0,0|2,0,0]=4 16677 B12R0.234 CCSCCCOCCNC(=O)N 7a_100011216438_200000034859 [0,2,0,0,0,0|2,0,0]=4 16678 B12R0.234 CCSCCCOCCOC(=O)C 34a_100011216438_100009814007 [0,2,0,0,0,0|2,0,0]=4 16679 B12R0.234 CCSCCCOCCOC(=O)C 7a_100011216438_100009814007 [0,2,0,0,0,0|2,0,0]=4 16680 B12R0.234 CCSCCCOCCOC(=O)N 34a_100011216438_200011214921 [0,2,0,0,0,0|2,0,0]=4 16681 B12R0.234 CCSCCCOCCOC(=O)N 7a_100011216438_200011214921 [0,2,0,0,0,0|2,0,0]=4 16682 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [0,2,0,0,0,0|1,0,0]=3 16683 B12R0.234 CCSCCNCCCNC(=O)C 34a_100000736810_100000757381 [0,2,0,0,0,0|2,0,0]=4 16684 B12R0.234 CCSCCNCCCSC(=O)C 2230a_100000106463_100000038929 [0,2,0,0,0,0|2,0,0]=4 16685 B12R0.234 CCSCCNCCOCC(=O)N 2230a_100000106463_100000076697 [0,2,0,0,0,0|2,0,0]=4 16686 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [0,2,0,0,0,0|2,0,0]=4 16687 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [0,2,0,0,0,0|1,0,0]=3 16688 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [0,2,0,0,0,0|1,0,0]=3 16689 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [0,2,0,0,0,0|1,0,0]=3 16690 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [0,2,0,0,0,0|1,0,0]=3 16691 B12R0.234 CCSCCOCCCC[N+](=O)[O-] 34a_200015379883_100000757381 [0,2,0,0,0,0|2,0,0]=4 16692 B12R0.234 CCSCCOCCCC[N+](=O)[O-] 7a_200015379883_100000757381 [0,2,0,0,0,0|2,0,0]=4 16693 B12R0.234 CCSCCOCCCNC(=O)C 34a_100000752032_100000757381 [0,2,0,0,0,0|2,0,0]=4 16694 B12R0.234 CCSCCOCCCOC(=O)C 34a_100000212035_100000042594 [0,2,0,0,0,0|2,0,0]=4 16695 B12R0.234 CCSCCOCCCOC(=O)C 7a_100000212035_100000042594 [0,2,0,0,0,0|2,0,0]=4 16696 B12R0.234 CCSCCOCCCSC(=O)C 34a_100000212035_100000038929 [0,2,0,0,0,0|2,0,0]=4 16697 B12R0.234 CCSCCOCCCSC(=O)C 7a_100000212035_100000038929 [0,2,0,0,0,0|2,0,0]=4 16698 B12R0.234 CCSCCOCCOCC(=O)N 34a_100000212035_100000076697 [0,2,0,0,0,0|2,0,0]=4 16699 B12R0.234 CCSCCOCCOCC(=O)N 7a_100000212035_100000076697 [0,2,0,0,0,0|2,0,0]=4 16700 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [0,2,0,0,0,0|1,0,0]=3 16701 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [0,2,0,0,0,0|1,0,0]=3 16702 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000042594_100000757381 [0,2,0,0,0,0|2,0,0]=4 16703 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000757381_100000042594 [0,2,0,0,0,0|2,0,0]=4 16704 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000038929_100000757381 [0,2,0,0,0,0|2,0,0]=4 16705 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000757381_100000038929 [0,2,0,0,0,0|2,0,0]=4 16706 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000076697_100000757381 [0,2,0,0,0,0|2,0,0]=4 16707 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000757381_100000076697 [0,2,0,0,0,0|2,0,0]=4 16708 B12R0.234 CN(C)CCCCCCCCCO 2230a_100102631434_100009813782 [0,2,0,0,0,0|0,0,2]=4 16709 B12R0.234 CN(C)CCCCCCCCCO 269982a_100102631434_100009813782 [0,2,0,0,0,0|0,0,2]=4 16710 B12R0.234 CN(C)CCCCSCCCC=O 62a_200011292268_100000690147 [0,2,0,0,0,0|1,0,0]=3 16711 B12R0.234 CN(C)CCCSCCCCC=O 62a_100000139335_100000757444 [0,2,0,0,0,0|1,0,0]=3 16712 B12R0.234 CN(C)CCSCCCCCC=O 62a_100000139337_100000755713 [0,2,0,0,0,0|1,0,0]=3 16713 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [0,2,0,0,0,0|1,0,0]=3 16714 B12R0.234 CNCCCCCOCCC(C)C 34a_100000722520_100000210312 [0,2,0,0,0,0|2,0,0]=4 16715 B12R0.234 CNCCCCCOCCC(C)O 34a_100000722520_100012276601 [0,2,0,0,0,0|2,0,0]=4 16716 B12R0.234 CNCCCCCOCOC(=O)C 34a_100000722520_100009813279 [0,2,0,0,0,0|2,0,0]=4 16717 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,2,0,0,0,0|1,0,0]=3 16718 B12R0.234 CNCCCOCCCCC(C)C 34a_100000213112_100011216152 [0,2,0,0,0,0|2,0,0]=4 16719 B12R0.234 CNCCCOCCCOC(=O)C 34a_100000213112_100000042594 [0,2,0,0,0,0|2,0,0]=4 16720 B12R0.234 CNCCCOCCCSC(=O)C 34a_100000213112_100000038929 [0,2,0,0,0,0|2,0,0]=4 16721 B12R0.234 CNCCCOCCOCC(=O)N 34a_100000213112_100000076697 [0,2,0,0,0,0|2,0,0]=4 16722 B12R0.234 CNCCOCCOCCC(=O)N 34a_100000228057_100000731001 [0,2,0,0,0,0|2,0,0]=4 16723 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,2,0,0,0,0|1,0,0]=3 16724 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,2,0,0,0,0|1,0,0]=3 16725 B12R0.234 COCCCCCCNCC(C)C 2230a_100000210953_100011998445 [0,2,0,0,0,0|2,0,0]=4 16726 B12R0.234 COCCCCCCNCC(C)C 34a_100000210953_100011998445 [0,2,0,0,0,0|2,0,0]=4 16727 B12R0.234 COCCCCCCNCC(C)O 2230a_100000210904_100011998445 [0,2,0,0,0,0|2,0,0]=4 16728 B12R0.234 COCCCCCCNCC(C)O 34a_100000210904_100011998445 [0,2,0,0,0,0|2,0,0]=4 16729 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,2,0,0,0,0|1,0,0]=3 16730 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,2,0,0,0,0|1,0,0]=3 16731 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,2,0,0,0,0|1,0,0]=3 16732 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,2,0,0,0,0|1,0,0]=3 16733 B12R0.234 COCCCCCCOCC(C)Br 34a_100012180447_100011998445 [0,2,0,0,0,0|2,0,0]=4 16734 B12R0.234 COCCCCCCOCC(C)C 34a_100000210257_100011998445 [0,2,0,0,0,0|2,0,0]=4 16735 B12R0.234 COCCCCCCOCC(C)C 34a_200012092642_100000210624 [0,2,0,0,0,0|2,0,0]=4 16736 B12R0.234 COCCCCCCOCC(C)C 7a_200012092642_100000210760 [0,2,0,0,0,0|2,0,0]=4 16737 B12R0.234 COCCCCCCOCC(C)F 34a_100015925927_100011998445 [0,2,0,0,0,0|2,0,0]=4 16738 B12R0.234 COCCCCCCOCC(C)O 34a_200012092642_100011218427 [0,2,0,0,0,0|2,0,0]=4 16739 B12R0.234 COCCCCCCOCC(C)O 7a_200012092642_100011218427 [0,2,0,0,0,0|2,0,0]=4 16740 B12R0.234 COCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011998445 [0,2,0,0,0,0|2,0,0]=4 16741 B12R0.234 COCCCCCCOC[C@@H](C)N 34a_100000737577_100011998445 [0,2,0,0,0,0|2,0,0]=4 16742 B12R0.234 COCCCCCCOC[C@@H](C)O 34a_200012092642_100009817552 [0,2,0,0,0,0|2,0,0]=4 16743 B12R0.234 COCCCCCCOC[C@@H](C)O 7a_200012092642_100009817552 [0,2,0,0,0,0|2,0,0]=4 16744 B12R0.234 COCCCCCCOC[N+](=O)[O-] 34a_200012092642_100000761209 [0,2,0,0,0,0|2,0,0]=4 16745 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,2,0,0,0,0|1,0,0]=3 16746 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,2,0,0,0,0|1,0,0]=3 16747 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,2,0,0,0,0|1,0,0]=3 16748 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,2,0,0,0,0|1,0,0]=3 16749 B12R0.234 COCCCCCCSCC(C)C 62a_100000210624_100011998445 [0,2,0,0,0,0|2,0,0]=4 16750 B12R0.234 COCCCCCCSCC(C)C 62a_100011998445_100000210760 [0,2,0,0,0,0|2,0,0]=4 16751 B12R0.234 COCCCCCCSCC(C)O 62a_100011218427_100011998445 [0,2,0,0,0,0|2,0,0]=4 16752 B12R0.234 COCCCCCCSCC(C)O 62a_100011998445_100011218427 [0,2,0,0,0,0|2,0,0]=4 16753 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100009817552_100011998445 [0,2,0,0,0,0|2,0,0]=4 16754 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100011998445_100009817552 [0,2,0,0,0,0|2,0,0]=4 16755 B12R0.234 COCCCCCCSC[N+](=O)[O-] 62a_100011998445_100000761209 [0,2,0,0,0,0|2,0,0]=4 16756 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [0,2,0,0,0,0|1,0,0]=3 16757 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [0,2,0,0,0,0|1,0,0]=3 16758 B12R0.234 COCCCCCNCCC(C)C 2230a_100000747528_100000210312 [0,2,0,0,0,0|2,0,0]=4 16759 B12R0.234 COCCCCCNCCC(C)C 269862a_100000747528_100000185833 [0,2,0,0,0,0|2,0,0]=4 16760 B12R0.234 COCCCCCNCCC(C)C 34a_100000747528_100000210312 [0,2,0,0,0,0|2,0,0]=4 16761 B12R0.234 COCCCCCNCCC(C)O 2230a_100000747528_100012276601 [0,2,0,0,0,0|2,0,0]=4 16762 B12R0.234 COCCCCCNCCC(C)O 34a_100000747528_100012276601 [0,2,0,0,0,0|2,0,0]=4 16763 B12R0.234 COCCCCCNCOC(=O)C 34a_100000747528_100009813279 [0,2,0,0,0,0|2,0,0]=4 16764 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [0,2,0,0,0,0|1,0,0]=3 16765 B12R0.234 COCCCCNCCCC(C)C 2230a_200000737386_100000730899 [0,2,0,0,0,0|2,0,0]=4 16766 B12R0.234 COCCCCNCCCC(C)C 34a_200000737386_100000755781 [0,2,0,0,0,0|2,0,0]=4 16767 B12R0.234 COCCCCNCCCS(=O)C 2230a_200000753449_100000730899 [0,2,0,0,0,0|2,0,0]=4 16768 B12R0.234 COCCCCNCCNC(=O)C 2230a_100000209853_100000730899 [0,2,0,0,0,0|2,0,0]=4 16769 B12R0.234 COCCCCNCCNC(=O)N 34a_100020590234_100000755781 [0,2,0,0,0,0|2,0,0]=4 16770 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,2,0,0,0,0|1,0,0]=3 16771 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,2,0,0,0,0|1,0,0]=3 16772 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,2,0,0,0,0|1,0,0]=3 16773 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,2,0,0,0,0|1,0,0]=3 16774 B12R0.234 COCCCCOCCCC(C)C 34a_100000210774_100000755781 [0,2,0,0,0,0|2,0,0]=4 16775 B12R0.234 COCCCCOCCCC(C)C 34a_100000740925_100011214892 [0,2,0,0,0,0|2,0,0]=4 16776 B12R0.234 COCCCCOCCCC(C)C 7a_100000210774_100000730899 [0,2,0,0,0,0|2,0,0]=4 16777 B12R0.234 COCCCCOCCCC(C)O 34a_100000740925_200000718107 [0,2,0,0,0,0|2,0,0]=4 16778 B12R0.234 COCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000755781 [0,2,0,0,0,0|2,0,0]=4 16779 B12R0.234 COCCCCOCCNC(=O)C 34a_100000158858_100000755781 [0,2,0,0,0,0|2,0,0]=4 16780 B12R0.234 COCCCCOCCNC(=O)N 34a_100000181757_100000755781 [0,2,0,0,0,0|2,0,0]=4 16781 B12R0.234 COCCCCOCCOC(=O)C 34a_100000740925_100009814007 [0,2,0,0,0,0|2,0,0]=4 16782 B12R0.234 COCCCCOCCOC(=O)N 34a_100000740925_200011214921 [0,2,0,0,0,0|2,0,0]=4 16783 B12R0.234 COCCCCOCCOC(=O)N 7a_100000766696_100000730899 [0,2,0,0,0,0|2,0,0]=4 16784 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,2,0,0,0,0|1,0,0]=3 16785 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,2,0,0,0,0|1,0,0]=3 16786 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [0,2,0,0,0,0|1,0,0]=3 16787 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [0,2,0,0,0,0|1,0,0]=3 16788 B12R0.234 COCCCCSCCCC(C)C 62a_100000730899_100011214892 [0,2,0,0,0,0|2,0,0]=4 16789 B12R0.234 COCCCCSCCCC(C)C 62a_100011214892_100000730899 [0,2,0,0,0,0|2,0,0]=4 16790 B12R0.234 COCCCCSCCCC(C)O 62a_100000730899_200000718107 [0,2,0,0,0,0|2,0,0]=4 16791 B12R0.234 COCCCCSCCCC(C)O 62a_200000718107_100000730899 [0,2,0,0,0,0|2,0,0]=4 16792 B12R0.234 COCCCCSCCNC(=O)C 62a_100000189650_100000730899 [0,2,0,0,0,0|2,0,0]=4 16793 B12R0.234 COCCCCSCCNC(=O)C 62a_100000730899_100000189650 [0,2,0,0,0,0|2,0,0]=4 16794 B12R0.234 COCCCCSCCNC(=O)N 62a_100000730899_200000034859 [0,2,0,0,0,0|2,0,0]=4 16795 B12R0.234 COCCCCSCCNC(=O)N 62a_200000034859_100000730899 [0,2,0,0,0,0|2,0,0]=4 16796 B12R0.234 COCCCCSCCOC(=O)C 62a_100000730899_100009814007 [0,2,0,0,0,0|2,0,0]=4 16797 B12R0.234 COCCCCSCCOC(=O)C 62a_100009814007_100000730899 [0,2,0,0,0,0|2,0,0]=4 16798 B12R0.234 COCCCCSCCOC(=O)N 62a_100000730899_200011214921 [0,2,0,0,0,0|2,0,0]=4 16799 B12R0.234 COCCCCSCCOC(=O)N 62a_200011214921_100000730899 [0,2,0,0,0,0|2,0,0]=4 16800 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,2,0,0,0,0|1,0,0]=3 16801 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [0,2,0,0,0,0|1,0,0]=3 16802 B12R0.234 COCCCNCCCCC(C)C 34a_100150723488_100011216152 [0,2,0,0,0,0|2,0,0]=4 16803 B12R0.234 COCCCNCCCNC(=O)C 34a_100000736810_100000740836 [0,2,0,0,0,0|2,0,0]=4 16804 B12R0.234 COCCCNCCCOC(=O)C 34a_100150723488_100000042594 [0,2,0,0,0,0|2,0,0]=4 16805 B12R0.234 COCCCNCCCSC(=O)C 34a_100150723488_100000038929 [0,2,0,0,0,0|2,0,0]=4 16806 B12R0.234 COCCCNCCOCC(=O)N 34a_100150723488_100000076697 [0,2,0,0,0,0|2,0,0]=4 16807 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,2,0,0,0,0|2,0,0]=4 16808 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,2,0,0,0,0|1,0,0]=3 16809 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [0,2,0,0,0,0|1,0,0]=3 16810 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [0,2,0,0,0,0|1,0,0]=3 16811 B12R0.234 COCCCOCCCCC(C)C 34a_100000740835_100011216152 [0,2,0,0,0,0|2,0,0]=4 16812 B12R0.234 COCCCOCCCCC(C)C 34a_100011214890_100000740836 [0,2,0,0,0,0|2,0,0]=4 16813 B12R0.234 COCCCOCCCCC(C)C 7a_100011214890_100000740836 [0,2,0,0,0,0|2,0,0]=4 16814 B12R0.234 COCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000740836 [0,2,0,0,0,0|2,0,0]=4 16815 B12R0.234 COCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000740836 [0,2,0,0,0,0|2,0,0]=4 16816 B12R0.234 COCCCOCCCNC(=O)C 34a_100000752032_100000740836 [0,2,0,0,0,0|2,0,0]=4 16817 B12R0.234 COCCCOCCCOC(=O)C 34a_100000740835_100000042594 [0,2,0,0,0,0|2,0,0]=4 16818 B12R0.234 COCCCOCCCSC(=O)C 34a_100000740835_100000038929 [0,2,0,0,0,0|2,0,0]=4 16819 B12R0.234 COCCCOCCOCC(=O)N 34a_100000740835_100000076697 [0,2,0,0,0,0|2,0,0]=4 16820 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,2,0,0,0,0|1,0,0]=3 16821 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,2,0,0,0,0|1,0,0]=3 16822 B12R0.234 COCCCSCCCCC(C)C 62a_100000709357_100011216152 [0,2,0,0,0,0|2,0,0]=4 16823 B12R0.234 COCCCSCCCCC(C)C 62a_100011216152_100000709357 [0,2,0,0,0,0|2,0,0]=4 16824 B12R0.234 COCCCSCCCOC(=O)C 62a_100000042594_100000709357 [0,2,0,0,0,0|2,0,0]=4 16825 B12R0.234 COCCCSCCCOC(=O)C 62a_100000709357_100000042594 [0,2,0,0,0,0|2,0,0]=4 16826 B12R0.234 COCCCSCCCSC(=O)C 62a_100000038929_100000709357 [0,2,0,0,0,0|2,0,0]=4 16827 B12R0.234 COCCCSCCCSC(=O)C 62a_100000709357_100000038929 [0,2,0,0,0,0|2,0,0]=4 16828 B12R0.234 COCCCSCCOCC(=O)N 62a_100000076697_100000709357 [0,2,0,0,0,0|2,0,0]=4 16829 B12R0.234 COCCCSCCOCC(=O)N 62a_100000709357_100000076697 [0,2,0,0,0,0|2,0,0]=4 16830 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [0,2,0,0,0,0|1,0,0]=3 16831 B12R0.234 COCCNCCCCCC(C)C 2230a_100000209980_100000210682 [0,2,0,0,0,0|2,0,0]=4 16832 B12R0.234 COCCNCCCCCC(C)C 2230a_100011290863_100011201679 [0,2,0,0,0,0|2,0,0]=4 16833 B12R0.234 COCCNCCCCCC(C)C 34a_100011290863_100011201679 [0,2,0,0,0,0|2,0,0]=4 16834 B12R0.234 COCCNCCCCNC(=O)C 2230a_200011368371_100011201679 [0,2,0,0,0,0|2,0,0]=4 16835 B12R0.234 COCCNCCCCNC(=O)C 34a_200011368371_100011201679 [0,2,0,0,0,0|2,0,0]=4 16836 B12R0.234 COCCNCCCCSC(=O)C 2230a_100000209980_200010402107 [0,2,0,0,0,0|2,0,0]=4 16837 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,2,0,0,0,0|1,0,0]=3 16838 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,2,0,0,0,0|1,0,0]=3 16839 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,2,0,0,0,0|1,0,0]=3 16840 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,2,0,0,0,0|1,0,0]=3 16841 B12R0.234 COCCOCCCCCC(C)C 34a_100000210237_100000210682 [0,2,0,0,0,0|2,0,0]=4 16842 B12R0.234 COCCOCCCCCC(C)C 34a_100011995859_100011201679 [0,2,0,0,0,0|2,0,0]=4 16843 B12R0.234 COCCOCCCCCC(C)C 7a_100011995859_100000233755 [0,2,0,0,0,0|2,0,0]=4 16844 B12R0.234 COCCOCCCCOC(=O)C 34a_100000073216_100011201679 [0,2,0,0,0,0|2,0,0]=4 16845 B12R0.234 COCCOCCCCOC(=O)C 34a_100000210237_100000033659 [0,2,0,0,0,0|2,0,0]=4 16846 B12R0.234 COCCOCCCCOC(=O)C 7a_100000073216_100000233755 [0,2,0,0,0,0|2,0,0]=4 16847 B12R0.234 COCCOCCCCSC(=O)C 34a_100000210237_200010402107 [0,2,0,0,0,0|2,0,0]=4 16848 B12R0.234 COCCOCCCNCC(=O)N 2230a_100000206027_100000747473 [0,2,0,0,0,0|2,0,0]=4 16849 B12R0.234 COCCOCCCNCC(=O)N 2230a_100000711301_100011216529 [0,2,0,0,0,0|2,0,0]=4 16850 B12R0.234 COCCOCCCNCC(=O)N 34a_100000206027_100000187820 [0,2,0,0,0,0|2,0,0]=4 16851 B12R0.234 COCCOCCCNCC(=O)O 269956a_100016091260_100011216529 [0,2,0,0,0,0|2,0,0]=4 16852 B12R0.234 COCCOCCCNCC(=O)[O-] 34a_100000206027_100020667443 [0,2,0,0,0,0|2,0,0]=4 16853 B12R0.234 COCCOCCCOCC(=O)C 34a_100000211253_100011216529 [0,2,0,0,0,0|2,0,0]=4 16854 B12R0.234 COCCOCCCSCC(=O)N 62a_100000747473_100011216529 [0,2,0,0,0,0|2,0,0]=4 16855 B12R0.234 COCCOCCCSCC(=O)N 62a_100011216529_100000747473 [0,2,0,0,0,0|2,0,0]=4 16856 B12R0.234 COCCOCCCSCC(=O)[O-] 62a_100011216529_100020667443 [0,2,0,0,0,0|2,0,0]=4 16857 B12R0.234 COCCOCCCSCC(=O)[O-] 62a_100020667443_100011216529 [0,2,0,0,0,0|2,0,0]=4 16858 B12R0.234 COCCOCCNCCC(=O)N 2230a_100000745349_100000744528 [0,2,0,0,0,0|2,0,0]=4 16859 B12R0.234 COCCOCCNCCC(=O)N 34a_100000745349_100000731001 [0,2,0,0,0,0|2,0,0]=4 16860 B12R0.234 COCCOCCOCCC(=O)C 1458a_100000070787_100013367474 [0,2,0,0,0,0|2,0,0]=4 16861 B12R0.234 COCCOCCOCCC(=O)C 1458a_100012278103_200000210301 [0,2,0,0,0,0|2,0,0]=4 16862 B12R0.234 COCCOCCOCCC(=O)C 34a_100000759926_100000695917 [0,2,0,0,0,0|2,0,0]=4 16863 B12R0.234 COCCOCCOCCC(=O)C 7a_100000759926_100000695917 [0,2,0,0,0,0|2,0,0]=4 16864 B12R0.234 COCCOCCOCCC(=O)C 7a_100011215163_100000053229 [0,2,0,0,0,0|2,0,0]=4 16865 B12R0.234 COCCOCCOCCC(=O)N 34a_100000757172_100000695917 [0,2,0,0,0,0|2,0,0]=4 16866 B12R0.234 COCCOCCOCCC(=O)N 34a_100011215163_100000731001 [0,2,0,0,0,0|2,0,0]=4 16867 B12R0.234 COCCOCCOCCC(=O)N 7a_100000757172_100000695917 [0,2,0,0,0,0|2,0,0]=4 16868 B12R0.234 COCCOCCOCCC(=O)N 7a_100011215163_100000744528 [0,2,0,0,0,0|2,0,0]=4 16869 B12R0.234 COCCOCCOCCC(=O)[13CH3] 1458a_100012278103_200025704644 [0,2,0,0,0,0|2,0,0]=4 16870 B12R0.234 COCCOCCSCCC(=O)C 62a_100000053229_100000695917 [0,2,0,0,0,0|2,0,0]=4 16871 B12R0.234 COCCOCCSCCC(=O)C 62a_100000695917_100000053229 [0,2,0,0,0,0|2,0,0]=4 16872 B12R0.234 COCCOCCSCCC(=O)N 62a_100000695917_100000744528 [0,2,0,0,0,0|2,0,0]=4 16873 B12R0.234 COCCOCCSCCC(=O)N 62a_100000744528_100000695917 [0,2,0,0,0,0|2,0,0]=4 16874 B12R0.234 COCCOCSCCCC(=O)C 62a_100000231047_100011215641 [0,2,0,0,0,0|2,0,0]=4 16875 B12R0.234 COCCOCSCCCC(=O)C 62a_100011215641_100000231047 [0,2,0,0,0,0|2,0,0]=4 16876 B12R0.234 COCCOCSCCCC(=O)N 62a_100000231047_100102525003 [0,2,0,0,0,0|2,0,0]=4 16877 B12R0.234 COCCOCSCCCC(=O)N 62a_100102525003_100000231047 [0,2,0,0,0,0|2,0,0]=4 16878 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [0,2,0,0,0,0|1,0,0]=3 16879 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [0,2,0,0,0,0|1,0,0]=3 16880 B12R0.234 COCCSCCCCCC(C)C 62a_100000210682_100000233755 [0,2,0,0,0,0|2,0,0]=4 16881 B12R0.234 COCCSCCCCCC(C)C 62a_100000233755_100000210682 [0,2,0,0,0,0|2,0,0]=4 16882 B12R0.234 COCCSCCCCOC(=O)C 62a_100000033659_100000233755 [0,2,0,0,0,0|2,0,0]=4 16883 B12R0.234 COCCSCCCCOC(=O)C 62a_100000233755_100000033659 [0,2,0,0,0,0|2,0,0]=4 16884 B12R0.234 COCCSCCCCSC(=O)C 62a_100000233755_200010402107 [0,2,0,0,0,0|2,0,0]=4 16885 B12R0.234 COCCSCCCCSC(=O)C 62a_200010402107_100000233755 [0,2,0,0,0,0|2,0,0]=4 16886 B12R0.234 COCNCCCCCCC(C)C 2230a_100000211014_100000766300 [0,2,0,0,0,0|2,0,0]=4 16887 B12R0.234 COCNCCCCCNC(=O)C 2230a_200012022750_100000766300 [0,2,0,0,0,0|2,0,0]=4 16888 B12R0.234 COCSCCCCCOC(=O)C 62a_100000033007_100000766300 [0,2,0,0,0,0|2,0,0]=4 16889 B12R0.234 COCSCCCCCOC(=O)C 62a_100000766300_100000033007 [0,2,0,0,0,0|2,0,0]=4 16890 B12R0.234 CS(=O)CCCNCCCCC=O 2230a_200000753449_100000139335 [0,2,0,0,0,0|1,0,0]=3 16891 B12R0.234 CS(=O)CCCNCCCCCF 2230a_200000753449_100000729378 [0,2,0,0,0,0|2,0,0]=4 16892 B12R0.234 CS(=O)CCCNCCCCCO 2230a_200000753449_100000746330 [0,2,0,0,0,0|2,0,0]=4 16893 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,2,0,0,0,0|1,0,0]=3 16894 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,2,0,0,0,0|1,0,0]=3 16895 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,2,0,0,0,0|1,0,0]=3 16896 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,2,0,0,0,0|1,0,0]=3 16897 B12R0.234 CSCCCCOCCCC(C)C 34a_100011217163_100011214892 [0,2,0,0,0,0|2,0,0]=4 16898 B12R0.234 CSCCCCOCCCC(C)C 7a_100011217163_100011214892 [0,2,0,0,0,0|2,0,0]=4 16899 B12R0.234 CSCCCCOCCCC(C)O 34a_100011217163_200000718107 [0,2,0,0,0,0|2,0,0]=4 16900 B12R0.234 CSCCCCOCCCC(C)O 7a_100011217163_200000718107 [0,2,0,0,0,0|2,0,0]=4 16901 B12R0.234 CSCCCCOCCNC(=O)C 7a_100011217163_100000189650 [0,2,0,0,0,0|2,0,0]=4 16902 B12R0.234 CSCCCCOCCNC(=O)N 7a_100011217163_200000034859 [0,2,0,0,0,0|2,0,0]=4 16903 B12R0.234 CSCCCCOCCOC(=O)C 34a_100011217163_100009814007 [0,2,0,0,0,0|2,0,0]=4 16904 B12R0.234 CSCCCCOCCOC(=O)C 7a_100011217163_100009814007 [0,2,0,0,0,0|2,0,0]=4 16905 B12R0.234 CSCCCCOCCOC(=O)N 34a_100011217163_200011214921 [0,2,0,0,0,0|2,0,0]=4 16906 B12R0.234 CSCCCCOCCOC(=O)N 7a_100011217163_200011214921 [0,2,0,0,0,0|2,0,0]=4 16907 B12R0.234 CSCCCNCCCCC(C)C 2230a_100000749238_100011216152 [0,2,0,0,0,0|2,0,0]=4 16908 B12R0.234 CSCCCNCCCSC(=O)C 2230a_100000749238_100000038929 [0,2,0,0,0,0|2,0,0]=4 16909 B12R0.234 CSCCCNCCOCC(=O)N 2230a_100000749238_100000076697 [0,2,0,0,0,0|2,0,0]=4 16910 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,2,0,0,0,0|1,0,0]=3 16911 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,2,0,0,0,0|1,0,0]=3 16912 B12R0.234 CSCCCOCCCCC(C)C 34a_100000690336_100011216152 [0,2,0,0,0,0|2,0,0]=4 16913 B12R0.234 CSCCCOCCCCC(C)C 7a_100000690336_100011216152 [0,2,0,0,0,0|2,0,0]=4 16914 B12R0.234 CSCCCOCCCOC(=O)C 34a_100000690336_100000042594 [0,2,0,0,0,0|2,0,0]=4 16915 B12R0.234 CSCCCOCCCOC(=O)C 7a_100000690336_100000042594 [0,2,0,0,0,0|2,0,0]=4 16916 B12R0.234 CSCCCOCCCSC(=O)C 34a_100000690336_100000038929 [0,2,0,0,0,0|2,0,0]=4 16917 B12R0.234 CSCCCOCCCSC(=O)C 7a_100000690336_100000038929 [0,2,0,0,0,0|2,0,0]=4 16918 B12R0.234 CSCCCOCCOCC(=O)N 34a_100000690336_100000076697 [0,2,0,0,0,0|2,0,0]=4 16919 B12R0.234 CSCCCOCCOCC(=O)N 7a_100000690336_100000076697 [0,2,0,0,0,0|2,0,0]=4 16920 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [0,2,0,0,0,0|1,0,0]=3 16921 B12R0.234 CSCCNCCCCCC(C)C 2230a_100011290863_100000751147 [0,2,0,0,0,0|2,0,0]=4 16922 B12R0.234 CSCCNCCCCCC(C)C 2230a_100020590264_100000210682 [0,2,0,0,0,0|2,0,0]=4 16923 B12R0.234 CSCCNCCCCCC(C)C 34a_100011290863_100000212216 [0,2,0,0,0,0|2,0,0]=4 16924 B12R0.234 CSCCNCCCCNC(=O)C 2230a_200011368371_100000751147 [0,2,0,0,0,0|2,0,0]=4 16925 B12R0.234 CSCCNCCCCNC(=O)C 34a_200011368371_100000212216 [0,2,0,0,0,0|2,0,0]=4 16926 B12R0.234 CSCCNCCCCSC(=O)C 2230a_100020590264_200010402107 [0,2,0,0,0,0|2,0,0]=4 16927 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [0,2,0,0,0,0|1,0,0]=3 16928 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [0,2,0,0,0,0|1,0,0]=3 16929 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [0,2,0,0,0,0|1,0,0]=3 16930 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [0,2,0,0,0,0|1,0,0]=3 16931 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [0,2,0,0,0,0|1,0,0]=3 16932 B12R0.234 CSCCOCCCCCC(C)C 34a_100000230434_100000210682 [0,2,0,0,0,0|2,0,0]=4 16933 B12R0.234 CSCCOCCCCCC(C)C 34a_100011995859_100000212216 [0,2,0,0,0,0|2,0,0]=4 16934 B12R0.234 CSCCOCCCCCC(C)C 7a_100000230434_100000210682 [0,2,0,0,0,0|2,0,0]=4 16935 B12R0.234 CSCCOCCCCCC(C)C 7a_100011995859_100000212216 [0,2,0,0,0,0|2,0,0]=4 16936 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000073216_100000212216 [0,2,0,0,0,0|2,0,0]=4 16937 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000230434_100000033659 [0,2,0,0,0,0|2,0,0]=4 16938 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000073216_100000212216 [0,2,0,0,0,0|2,0,0]=4 16939 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000230434_100000033659 [0,2,0,0,0,0|2,0,0]=4 16940 B12R0.234 CSCCOCCCCSC(=O)C 34a_100000230434_200010402107 [0,2,0,0,0,0|2,0,0]=4 16941 B12R0.234 CSCCOCCCCSC(=O)C 7a_100000230434_200010402107 [0,2,0,0,0,0|2,0,0]=4 16942 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [0,2,0,0,0,0|1,0,0]=3 16943 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [0,2,0,0,0,0|1,0,0]=3 16944 B12R0.234 CSCCSCCCCCC(C)C 62a_100000210682_100000751147 [0,2,0,0,0,0|2,0,0]=4 16945 B12R0.234 CSCCSCCCCCC(C)C 62a_100000212216_100000210682 [0,2,0,0,0,0|2,0,0]=4 16946 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000033659_100000751147 [0,2,0,0,0,0|2,0,0]=4 16947 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000212216_100000033659 [0,2,0,0,0,0|2,0,0]=4 16948 B12R0.234 CSCCSCCCCSC(=O)C 62a_100000212216_200010402107 [0,2,0,0,0,0|2,0,0]=4 16949 B12R0.234 CSCCSCCCCSC(=O)C 62a_200010402107_100000751147 [0,2,0,0,0,0|2,0,0]=4 16950 B12R0.234 CSCNCCCCCCC(C)C 2230a_100000211014_100011218213 [0,2,0,0,0,0|2,0,0]=4 16951 B12R0.234 CSCNCCCCCCC(C)C 34a_100000211014_100011218213 [0,2,0,0,0,0|2,0,0]=4 16952 B12R0.234 CSCNCCCCCNC(=O)C 2230a_200012022750_100011218213 [0,2,0,0,0,0|2,0,0]=4 16953 B12R0.234 CSCNCCCCCNC(=O)C 34a_200012022750_100011218213 [0,2,0,0,0,0|2,0,0]=4 16954 B12R0.234 CSCSCCCCCOC(=O)C 62a_100000033007_100011218213 [0,2,0,0,0,0|2,0,0]=4 16955 B12R0.234 CSCSCCCCCOC(=O)C 62a_100011218213_100000033007 [0,2,0,0,0,0|2,0,0]=4 16956 B12R0.234 C[C@@H](Cl)COCCCCCCCO 34a_100016084084_100000760002 [0,2,0,0,0,0|0,0,2]=4 16957 B12R0.234 C[C@@H](N)CCOCCCCCCF 34a_100000706166_100015922095 [0,2,0,0,0,0|1,0,1]=4 16958 B12R0.234 C[C@@H](N)CCOCCCCCCO 34a_100000706166_100000766143 [0,2,0,0,0,0|0,0,2]=4 16959 B12R0.234 C[C@@H](N)COCCCCCCCO 34a_100000737577_100000760002 [0,2,0,0,0,0|0,0,2]=4 16960 B12R0.234 C[C@@H](O)CNCCCCCCCO 2230a_100011996573_100009817552 [0,2,0,0,0,0|0,0,2]=4 16961 B12R0.234 C[C@@H](O)CNCCCCCCCO 34a_100011996573_100009817552 [0,2,0,0,0,0|0,0,2]=4 16962 B12R0.234 C[C@@H](O)COCCCCCCCBr 34a_100000760002_100009817552 [0,2,0,0,0,0|1,0,1]=4 16963 B12R0.234 C[C@@H](O)COCCCCCCCBr 7a_100000760002_100009817552 [0,2,0,0,0,0|1,0,1]=4 16964 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [0,2,0,0,0,0|1,0,1]=4 16965 B12R0.234 C[C@@H](O)CSCCCCCCC#N 62a_100009813337_100009817552 [0,2,0,0,0,0|1,0,1]=4 16966 B12R0.234 C[C@@H](O)CSCCCCCCC#N 62a_100009817552_100009813337 [0,2,0,0,0,0|1,0,1]=4 16967 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100000760002_100009817552 [0,2,0,0,0,0|0,0,2]=4 16968 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100009817552_100000760002 [0,2,0,0,0,0|0,0,2]=4 16969 B12R0.234 N#CCCCCCCNCC(=O)N 2230a_100000711301_100009813337 [0,2,0,0,0,0|1,0,1]=4 16970 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [0,2,0,0,0,0|1,0,1]=4 16971 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100000747473_100009813337 [0,2,0,0,0,0|1,0,1]=4 16972 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100009813337_100000747473 [0,2,0,0,0,0|1,0,1]=4 16973 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100009813337_100020667443 [0,2,0,0,0,0|1,0,1]=4 16974 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100020667443_100009813337 [0,2,0,0,0,0|1,0,1]=4 16975 B12R0.234 N#CCCCCCOCCC(=O)N 7a_100000757172_100009813376 [0,2,0,0,0,0|1,0,1]=4 16976 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100000744528_100009813376 [0,2,0,0,0,0|1,0,1]=4 16977 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100009813376_100000744528 [0,2,0,0,0,0|1,0,1]=4 16978 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100011219923_100102525003 [0,2,0,0,0,0|1,0,1]=4 16979 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100102525003_100000211819 [0,2,0,0,0,0|1,0,1]=4 16980 B12R0.234 N#CCCCOCCCCC(=O)N 7a_100012022536_100000687738 [0,2,0,0,0,0|1,0,1]=4 16981 B12R0.234 N#CCCOCCCCCC(=O)N 7a_100000123541_100000184422 [0,2,0,0,0,0|1,0,1]=4 16982 B12R0.234 N#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000184422 [0,2,0,0,0,0|1,0,1]=4 16983 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100009817443_100011215226 [0,2,0,0,0,0|1,0,1]=4 16984 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100011215226_100009817443 [0,2,0,0,0,0|1,0,1]=4 16985 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [0,2,0,0,0,0|1,0,0]=3 16986 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [0,2,0,0,0,0|1,0,0]=3 16987 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,2,0,0,0,0|1,0,0]=3 16988 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,2,0,0,0,0|1,0,0]=3 16989 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,2,0,0,0,0|1,0,0]=3 16990 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,2,0,0,0,0|1,0,0]=3 16991 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,2,0,0,0,0|1,0,0]=3 16992 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,2,0,0,0,0|1,0,0]=3 16993 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,2,0,0,0,0|1,0,0]=3 16994 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [0,2,0,0,0,0|1,0,0]=3 16995 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [0,2,0,0,0,0|1,0,0]=3 16996 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,2,0,0,0,0|1,0,0]=3 16997 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,2,0,0,0,0|1,0,0]=3 16998 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [0,2,0,0,0,0|1,0,0]=3 16999 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,2,0,0,0,0|1,0,0]=3 17000 B12R0.234 NC(=O)CCCCOCCCC=O 7a_100012022536_200011292268 [0,2,0,0,0,0|1,0,1]=4 17001 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,2,0,0,0,0|1,0,0]=3 17002 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,2,0,0,0,0|1,0,0]=3 17003 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,2,0,0,0,0|1,0,0]=3 17004 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,2,0,0,0,0|1,0,0]=3 17005 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,2,0,0,0,0|1,0,0]=3 17006 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,2,0,0,0,0|1,0,0]=3 17007 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,2,0,0,0,0|1,0,0]=3 17008 B12R0.234 NC(=O)CCCNCCOCCO 34a_100000211614_100102525003 [0,2,0,0,0,0|2,0,0]=4 17009 B12R0.234 NC(=O)CCCNCCOCCO 34a_100000739312_100000692535 [0,2,0,0,0,0|2,0,0]=4 17010 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,2,0,0,0,0|1,0,0]=3 17011 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,2,0,0,0,0|1,0,0]=3 17012 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,2,0,0,0,0|1,0,0]=3 17013 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,2,0,0,0,0|1,0,0]=3 17014 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,2,0,0,0,0|1,0,0]=3 17015 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,2,0,0,0,0|1,0,0]=3 17016 B12R0.234 NC(=O)CCCOCCOCCBr 34a_100000692535_100102525003 [0,2,0,0,0,0|2,0,0]=4 17017 B12R0.234 NC(=O)CCCOCCOCCBr 7a_100000692535_100102525003 [0,2,0,0,0,0|2,0,0]=4 17018 B12R0.234 NC(=O)CCCOCCOCCCl 34a_100011215305_100102525003 [0,2,0,0,0,0|2,0,0]=4 17019 B12R0.234 NC(=O)CCCOCCOCCCl 7a_100011215305_100102525003 [0,2,0,0,0,0|2,0,0]=4 17020 B12R0.234 NC(=O)CCCOCCOCCF 34a_200015357709_100102525003 [0,2,0,0,0,0|2,0,0]=4 17021 B12R0.234 NC(=O)CCCOCCOCCF 7a_200015357709_100102525003 [0,2,0,0,0,0|2,0,0]=4 17022 B12R0.234 NC(=O)CCCOCCOCCI 34a_100012149058_100102525003 [0,2,0,0,0,0|2,0,0]=4 17023 B12R0.234 NC(=O)CCCOCCOCCI 7a_100012149058_100102525003 [0,2,0,0,0,0|2,0,0]=4 17024 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100000139335_100102525003 [0,2,0,0,0,0|1,0,1]=4 17025 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100102525003_100000139335 [0,2,0,0,0,0|1,0,1]=4 17026 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,2,0,0,0,0|1,0,0]=3 17027 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,2,0,0,0,0|1,0,0]=3 17028 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,2,0,0,0,0|1,0,0]=3 17029 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,2,0,0,0,0|1,0,0]=3 17030 B12R0.234 NC(=O)CCCSCCOCCO 62a_100011215305_100102525003 [0,2,0,0,0,0|2,0,0]=4 17031 B12R0.234 NC(=O)CCCSCCOCCO 62a_100102525003_100011215305 [0,2,0,0,0,0|2,0,0]=4 17032 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,2,0,0,0,0|1,0,0]=3 17033 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,2,0,0,0,0|1,0,0]=3 17034 B12R0.234 NC(=O)CCOCCCCCC=O 7a_100000757172_100000139337 [0,2,0,0,0,0|1,0,1]=4 17035 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,2,0,0,0,0|1,0,0]=3 17036 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,2,0,0,0,0|1,0,0]=3 17037 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,2,0,0,0,0|1,0,0]=3 17038 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,2,0,0,0,0|1,0,0]=3 17039 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,2,0,0,0,0|1,0,0]=3 17040 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,2,0,0,0,0|1,0,0]=3 17041 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,2,0,0,0,0|1,0,0]=3 17042 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,2,0,0,0,0|1,0,0]=3 17043 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,2,0,0,0,0|1,0,0]=3 17044 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,2,0,0,0,0|1,0,0]=3 17045 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000139337_100000744528 [0,2,0,0,0,0|1,0,1]=4 17046 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000744528_100000139337 [0,2,0,0,0,0|1,0,1]=4 17047 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,2,0,0,0,0|1,0,0]=3 17048 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,2,0,0,0,0|1,0,0]=3 17049 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,2,0,0,0,0|1,0,0]=3 17050 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,2,0,0,0,0|1,0,0]=3 17051 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,2,0,0,0,0|1,0,0]=3 17052 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,2,0,0,0,0|1,0,0]=3 17053 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,2,0,0,0,0|1,0,0]=3 17054 B12R0.234 NC(=O)CNCCCOCCCO 2230a_100011310245_100000747473 [0,2,0,0,0,0|2,0,0]=4 17055 B12R0.234 NC(=O)CNCCCOCCCO 34a_100011310245_100000187820 [0,2,0,0,0,0|2,0,0]=4 17056 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,2,0,0,0,0|1,0,0]=3 17057 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,2,0,0,0,0|1,0,0]=3 17058 B12R0.234 NC(=O)COCCNCCCCO 2230a_100000750430_100000076697 [0,2,0,0,0,0|2,0,0]=4 17059 B12R0.234 NC(=O)COCCNCCCCO 34a_100000750430_100000076697 [0,2,0,0,0,0|2,0,0]=4 17060 B12R0.234 NC(=O)COCCOCCCCBr 34a_100011216708_100000076697 [0,2,0,0,0,0|2,0,0]=4 17061 B12R0.234 NC(=O)COCCOCCCCCl 34a_100000210776_100000076697 [0,2,0,0,0,0|2,0,0]=4 17062 B12R0.234 NC(=O)COCCOCCCCCl 7a_100000210776_100000076697 [0,2,0,0,0,0|2,0,0]=4 17063 B12R0.234 NC(=O)COCCOCCCCF 34a_100011995726_100000076697 [0,2,0,0,0,0|2,0,0]=4 17064 B12R0.234 NC(=O)COCCOCCCCF 7a_100011995726_100000076697 [0,2,0,0,0,0|2,0,0]=4 17065 B12R0.234 NC(=O)COCCOCCCCI 34a_200012148704_100000076697 [0,2,0,0,0,0|2,0,0]=4 17066 B12R0.234 NC(=O)COCCSCCCCF 62a_100000076697_100000729493 [0,2,0,0,0,0|2,0,0]=4 17067 B12R0.234 NC(=O)COCCSCCCCF 62a_100000729493_100000076697 [0,2,0,0,0,0|2,0,0]=4 17068 B12R0.234 NC(=O)COCCSCCCCO 62a_100000076697_100000210776 [0,2,0,0,0,0|2,0,0]=4 17069 B12R0.234 NC(=O)COCCSCCCCO 62a_100000210776_100000076697 [0,2,0,0,0,0|2,0,0]=4 17070 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,2,0,0,0,0|1,0,0]=3 17071 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,2,0,0,0,0|1,0,0]=3 17072 B12R0.234 NC(=O)NCCNCCCCCF 34a_100020590234_100000729378 [0,2,0,0,0,0|2,0,0]=4 17073 B12R0.234 NC(=O)NCCNCCCCCO 2230a_100000762737_200000034859 [0,2,0,0,0,0|2,0,0]=4 17074 B12R0.234 NC(=O)NCCNCCCCCO 34a_100020590234_100000746330 [0,2,0,0,0,0|2,0,0]=4 17075 B12R0.234 NC(=O)NCCOCCCCCBr 7a_100000746331_200000034859 [0,2,0,0,0,0|2,0,0]=4 17076 B12R0.234 NC(=O)NCCOCCCCCCl 7a_100000746330_200000034859 [0,2,0,0,0,0|2,0,0]=4 17077 B12R0.234 NC(=O)NCCOCCCCCF 34a_100000181757_100000729378 [0,2,0,0,0,0|2,0,0]=4 17078 B12R0.234 NC(=O)NCCOCCCCCI 7a_200012148887_200000034859 [0,2,0,0,0,0|2,0,0]=4 17079 B12R0.234 NC(=O)NCCOCCCCCO 34a_100000181757_100000746330 [0,2,0,0,0,0|2,0,0]=4 17080 B12R0.234 NC(=O)NCCSCCCCCF 62a_100000729378_200000034859 [0,2,0,0,0,0|2,0,0]=4 17081 B12R0.234 NC(=O)NCCSCCCCCF 62a_200000034859_100000729378 [0,2,0,0,0,0|2,0,0]=4 17082 B12R0.234 NC(=O)NCCSCCCCCO 62a_100000746330_200000034859 [0,2,0,0,0,0|2,0,0]=4 17083 B12R0.234 NC(=O)NCCSCCCCCO 62a_200000034859_100000746330 [0,2,0,0,0,0|2,0,0]=4 17084 B12R0.234 NC(=O)OCCNCCCCCO 34a_100000762737_200011214921 [0,2,0,0,0,0|2,0,0]=4 17085 B12R0.234 NC(=O)OCCOCCCCCBr 34a_100000746331_200011214921 [0,2,0,0,0,0|2,0,0]=4 17086 B12R0.234 NC(=O)OCCOCCCCCBr 7a_100000746331_200011214921 [0,2,0,0,0,0|2,0,0]=4 17087 B12R0.234 NC(=O)OCCOCCCCCCl 34a_100000746330_200011214921 [0,2,0,0,0,0|2,0,0]=4 17088 B12R0.234 NC(=O)OCCOCCCCCCl 7a_100000746330_200011214921 [0,2,0,0,0,0|2,0,0]=4 17089 B12R0.234 NC(=O)OCCOCCCCCF 7a_100000766696_100000729378 [0,2,0,0,0,0|2,0,0]=4 17090 B12R0.234 NC(=O)OCCOCCCCCI 34a_200012148887_200011214921 [0,2,0,0,0,0|2,0,0]=4 17091 B12R0.234 NC(=O)OCCOCCCCCI 7a_200012148887_200011214921 [0,2,0,0,0,0|2,0,0]=4 17092 B12R0.234 NC(=O)OCCOCCCCCO 7a_100000766696_100000746330 [0,2,0,0,0,0|2,0,0]=4 17093 B12R0.234 NC(=O)OCCSCCCCCF 62a_100000729378_200011214921 [0,2,0,0,0,0|2,0,0]=4 17094 B12R0.234 NC(=O)OCCSCCCCCF 62a_200011214921_100000729378 [0,2,0,0,0,0|2,0,0]=4 17095 B12R0.234 NC(=O)OCCSCCCCCO 62a_100000746330_200011214921 [0,2,0,0,0,0|2,0,0]=4 17096 B12R0.234 NC(=O)OCCSCCCCCO 62a_200011214921_100000746330 [0,2,0,0,0,0|2,0,0]=4 17097 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,2,0,0,0,0|1,0,0]=3 17098 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,2,0,0,0,0|1,0,0]=3 17099 B12R0.234 NCCCCCCCOC[N+](=O)[O-] 34a_100011996573_100000761209 [0,2,0,0,0,0|2,0,0]=4 17100 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,2,0,0,0,0|1,0,0]=3 17101 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,2,0,0,0,0|1,0,0]=3 17102 B12R0.234 NCCCCCOCCOC(=O)N 34a_100000762737_200011214921 [0,2,0,0,0,0|2,0,0]=4 17103 B12R0.234 NCCCCOCCOCC(=O)N 34a_100000750430_100000076697 [0,2,0,0,0,0|2,0,0]=4 17104 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,2,0,0,0,0|1,0,0]=3 17105 B12R0.234 NCCCOCCCOCC(=O)N 34a_100011310245_100000187820 [0,2,0,0,0,0|2,0,0]=4 17106 B12R0.234 NCCCOCCCOCC(=O)[O-] 34a_100011310245_100020667443 [0,2,0,0,0,0|2,0,0]=4 17107 B12R0.234 NCCOCCOCCCC(=O)N 34a_100000211614_100102525003 [0,2,0,0,0,0|2,0,0]=4 17108 B12R0.234 NOCCOCCCCCC(=O)N 34a_100000700252_100009817443 [0,2,0,0,0,0|2,0,0]=4 17109 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,2,0,0,0,0|1,0,0]=3 17110 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,2,0,0,0,0|2,0,0]=4 17111 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,2,0,0,0,0|2,0,0]=4 17112 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,2,0,0,0,0|2,0,0]=4 17113 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,2,0,0,0,0|2,0,0]=4 17114 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,2,0,0,0,0|1,0,0]=3 17115 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,2,0,0,0,0|1,0,0]=3 17116 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,2,0,0,0,0|1,0,0]=3 17117 B12R0.234 O=C([O-])CNCCCOCCCO 34a_100011310245_100020667443 [0,2,0,0,0,0|2,0,0]=4 17118 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,2,0,0,0,0|1,0,0]=3 17119 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,2,0,0,0,0|1,0,0]=3 17120 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,2,0,0,0,0|1,0,0]=3 17121 B12R0.234 O=CCCCOCCCC[N+](=O)[O-] 7a_200015379883_200011292268 [0,2,0,0,0,0|2,0,0]=4 17122 B12R0.234 O=CCCCOCCOCC(F)F 7a_100000704375_200011292268 [0,2,0,0,0,0|2,0,0]=4 17123 B12R0.234 O=CCCCSCCCCB(O)O 62a_200009817182_200011292268 [0,2,0,0,0,0|2,0,0]=4 17124 B12R0.234 O=CCCCSCCCCB(O)O 62a_200011292268_200009817182 [0,2,0,0,0,0|2,0,0]=4 17125 B12R0.234 O=CCCCSCCOCC(F)F 62a_200011292268_200012177212 [0,2,0,0,0,0|2,0,0]=4 17126 B12R0.234 O=CCCCSCCOCC(F)F 62a_200012177212_200011292268 [0,2,0,0,0,0|2,0,0]=4 17127 B12R0.234 O=CCSCCCCCCB(O)O 62a_100009817187_200015260668 [0,2,0,0,0,0|2,0,0]=4 17128 B12R0.234 O=CCSCCCCCCB(O)O 62a_200015260668_100009817187 [0,2,0,0,0,0|2,0,0]=4 17129 B12R0.234 O=[N+]([O-])CCCCOCCCCF 34a_200015379883_100000729493 [0,2,0,0,0,0|2,0,0]=4 17130 B12R0.234 O=[N+]([O-])CCCCOCCCCF 7a_200015379883_100000729493 [0,2,0,0,0,0|2,0,0]=4 17131 B12R0.234 O=[N+]([O-])CCCCOCCCCO 34a_200015379883_100011216708 [0,2,0,0,0,0|2,0,0]=4 17132 B12R0.234 O=[N+]([O-])CCCCOCCCCO 7a_200015379883_100000210776 [0,2,0,0,0,0|2,0,0]=4 17133 B12R0.234 O=[N+]([O-])CCCOCCCCCF 34a_200000037920_100000729378 [0,2,0,0,0,0|2,0,0]=4 17134 B12R0.234 O=[N+]([O-])CCCOCCCCCO 34a_200000037920_100000746330 [0,2,0,0,0,0|2,0,0]=4 17135 B12R0.234 O=[N+]([O-])CNCCCCCCCO 34a_100011996573_100000761209 [0,2,0,0,0,0|2,0,0]=4 17136 B12R0.234 O=[N+]([O-])COCCCCCCCBr 34a_100000760002_100000761209 [0,2,0,0,0,0|2,0,0]=4 17137 B12R0.234 O=[N+]([O-])CSCCCCCCCO 62a_100000760002_100000761209 [0,2,0,0,0,0|2,0,0]=4 17138 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,2,0,0,0,0|0,0,0]=2 17139 B12R0.248 C#CC(=O)CCCC#CCCCC 1458a_100000211873_200000047210 [0,2,0,0,0,0|0,0,2]=4 17140 B12R0.248 C#CC(=O)CCCCCCCC=C 1458a_100000211873_100012355270 [0,2,0,0,0,0|0,0,2]=4 17141 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,2,0,0,0,0|0,0,0]=2 17142 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,2,0,0,0,0|1,0,0]=3 17143 B12R0.248 C#CC(C)NCCCCCCC=C 2230a_100000707721_100011215473 [0,2,0,0,0,0|2,0,0]=4 17144 B12R0.248 C#CC(C)NCCCCCCC=C 34a_100000707721_100011215473 [0,2,0,0,0,0|2,0,0]=4 17145 B12R0.248 C#CC(C)NCCCCCCCC 2230a_100000707721_100000210759 [0,2,0,0,0,0|1,0,1]=4 17146 B12R0.248 C#CC(C)NCCCCCCCC 34a_100000229939_200000035995 [0,2,0,0,0,0|1,0,1]=4 17147 B12R0.248 C#CC(C)NCCCCCCCC 34a_100000707721_100000210759 [0,2,0,0,0,0|1,0,1]=4 17148 B12R0.248 C#CC(C)OCCCCCCC=C 34a_200011216477_200000035995 [0,2,0,0,0,0|2,0,0]=4 17149 B12R0.248 C#CC(C)OCCCCCCCC 34a_100000210232_200000035995 [0,2,0,0,0,0|1,0,1]=4 17150 B12R0.248 C#CC(C)SCCCCCCC=C 62a_200000035995_100011215473 [0,2,0,0,0,0|2,0,0]=4 17151 B12R0.248 C#CC(C)SCCCCCCCC 62a_200000035995_100000210317 [0,2,0,0,0,0|1,0,1]=4 17152 B12R0.248 C#CC(O)CCCCCOCCC 34a_100000210258_200010408556 [0,2,0,0,0,0|1,0,1]=4 17153 B12R0.248 C#CC(O)CCCCCSCC=O 62a_200010408556_200015260668 [0,2,0,0,0,0|0,0,2]=4 17154 B12R0.248 C#CC(O)CCCCCSCC=O 62a_200015260668_200010408556 [0,2,0,0,0,0|0,0,2]=4 17155 B12R0.248 C#CC(O)CCCCCSCCC 62a_100000210303_200010408556 [0,2,0,0,0,0|1,0,1]=4 17156 B12R0.248 C#CC(O)CCCCCSCCC 62a_200010408556_100000210303 [0,2,0,0,0,0|1,0,1]=4 17157 B12R0.248 C#CCCCCCCCC(=O)C#C 1458a_100000211873_100153394163 [0,2,0,0,0,0|0,0,2]=4 17158 B12R0.248 C#CCCCCCCCC(=O)C=C 1458a_100000185746_100153394163 [0,2,0,0,0,0|0,0,2]=4 17159 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,2,0,0,0,0|0,0,2]=4 17160 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,2,0,0,0,0|0,0,2]=4 17161 B12R0.248 C#CCCCCCCCC(=O)CF 1458a_100000087357_100015361967 [0,2,0,0,0,0|0,0,2]=4 17162 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,2,0,0,0,0|0,0,2]=4 17163 B12R0.248 C#CCCCCCCCC(=O)NC 11a_106832991635_100000087357 [0,2,0,0,0,0|0,0,2]=4 17164 B12R0.248 C#CCCCCCCCC(=O)NC 1626a_100102657272_100000087357 [0,2,0,0,0,0|0,0,2]=4 17165 B12R0.248 C#CCCCCCCCC(=O)NC 240690a_100102657272_100000087357 [0,2,0,0,0,0|0,0,2]=4 17166 B12R0.248 C#CCCCCCCCC(=O)NC 527a_100102657272_100000087357 [0,2,0,0,0,0|0,0,2]=4 17167 B12R0.248 C#CCCCCCCCN(C)CC 2230a_100000225621_100153394163 [0,2,0,0,0,0|1,0,1]=4 17168 B12R0.248 C#CCCCCCCCN(C)CC 269982a_100000225621_100153394163 [0,2,0,0,0,0|1,0,1]=4 17169 B12R0.248 C#CCCCCCCNC(C)CC 2230a_100000209981_100012276617 [0,2,0,0,0,0|1,0,1]=4 17170 B12R0.248 C#CCCCCCCOC(C)CC 34a_100011217361_100011215416 [0,2,0,0,0,0|1,0,1]=4 17171 B12R0.248 C#CCCCCCCOC(C)CC 7a_100000210228_100012276617 [0,2,0,0,0,0|1,0,1]=4 17172 B12R0.248 C#CCCCCCCOC(C)CC 7a_100011217361_100000758301 [0,2,0,0,0,0|1,0,1]=4 17173 B12R0.248 C#CCCCCCCSC(C)CC 62a_100000758301_100012276617 [0,2,0,0,0,0|1,0,1]=4 17174 B12R0.248 C#CCCCCCCSC(C)CC 62a_100012276617_100000758301 [0,2,0,0,0,0|1,0,1]=4 17175 B12R0.248 C#CCCCCCNCC(C)CC 2230a_100020588543_100012094781 [0,2,0,0,0,0|1,0,1]=4 17176 B12R0.248 C#CCCCCCNCC(O)CC 2230a_100011218483_100012094781 [0,2,0,0,0,0|1,0,1]=4 17177 B12R0.248 C#CCCCCCOCC(C)CC 34a_100000766912_100000748023 [0,2,0,0,0,0|1,0,1]=4 17178 B12R0.248 C#CCCCCCOCC(C)CC 7a_100000766912_100000748023 [0,2,0,0,0,0|1,0,1]=4 17179 B12R0.248 C#CCCCCCOCC(O)CC 34a_100000766912_100011218378 [0,2,0,0,0,0|1,0,1]=4 17180 B12R0.248 C#CCCCCCOCC(O)CC 7a_100000766912_100011218378 [0,2,0,0,0,0|1,0,1]=4 17181 B12R0.248 C#CCCCCCOC[C@@H](C)CC 34a_100000766912_100009816398 [0,2,0,0,0,0|1,0,1]=4 17182 B12R0.248 C#CCCCCCOC[C@@H](C)CC 7a_100000766912_100009816398 [0,2,0,0,0,0|1,0,1]=4 17183 B12R0.248 C#CCCCCCOC[C@@H](C)CC 7a_100009816381_100012094781 [0,2,0,0,0,0|1,0,1]=4 17184 B12R0.248 C#CCCCCCSCC(C)CC 62a_100000748023_100012094781 [0,2,0,0,0,0|1,0,1]=4 17185 B12R0.248 C#CCCCCCSCC(C)CC 62a_100012094781_100000748023 [0,2,0,0,0,0|1,0,1]=4 17186 B12R0.248 C#CCCCCCSCC(O)CC 62a_100011218378_100012094781 [0,2,0,0,0,0|1,0,1]=4 17187 B12R0.248 C#CCCCCCSCC(O)CC 62a_100012094781_100011218378 [0,2,0,0,0,0|1,0,1]=4 17188 B12R0.248 C#CCCCCCSC[C@@H](C)CC 62a_100009816398_100012094781 [0,2,0,0,0,0|1,0,1]=4 17189 B12R0.248 C#CCCCCCSC[C@@H](C)CC 62a_100012094781_100009816398 [0,2,0,0,0,0|1,0,1]=4 17190 B12R0.248 C#CCCCCNCCC(C)CC 2230a_100020591266_100010269958 [0,2,0,0,0,0|1,0,1]=4 17191 B12R0.248 C#CCCCCOCCC(C)CC 7a_100011215188_100010269958 [0,2,0,0,0,0|1,0,1]=4 17192 B12R0.248 C#CCCCOCCCC(C)CC 7a_100011216074_100011215417 [0,2,0,0,0,0|1,0,1]=4 17193 B12R0.248 C#CCOCCCCCC(C)CC 7a_200000035636_100000038162 [0,2,0,0,0,0|1,0,1]=4 17194 B12R0.248 C#C[C@@H](C)OCCCCCCC=C 34a_100009815206_100011215473 [0,2,0,0,0,0|2,0,0]=4 17195 B12R0.248 C#C[C@@H](C)OCCCCCCC=C 7a_100009815206_100011215473 [0,2,0,0,0,0|2,0,0]=4 17196 B12R0.248 C#C[C@@H](C)OCCCCCCCC 34a_100009815206_100000210759 [0,2,0,0,0,0|1,0,1]=4 17197 B12R0.248 C#C[C@@H](C)OCCCCCCCC 7a_100009815206_100000210759 [0,2,0,0,0,0|1,0,1]=4 17198 B12R0.248 C=C(C#N)CNCCCCCCC 2230a_100000229938_100000694840 [0,2,0,0,0,0|2,0,0]=4 17199 B12R0.248 C=C(C#N)COCCCCCCC 34a_100000210272_100000694840 [0,2,0,0,0,0|2,0,0]=4 17200 B12R0.248 C=C(C#N)CSCCCCCCC 62a_100000210614_100000694840 [0,2,0,0,0,0|2,0,0]=4 17201 B12R0.248 C=CC(=O)CCCC#CCCCC 1458a_100000185746_200000047210 [0,2,0,0,0,0|0,0,2]=4 17202 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,2,0,0,0,0|0,0,0]=2 17203 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,2,0,0,0,0|1,0,0]=3 17204 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,2,0,0,0,0|1,0,0]=3 17205 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,2,0,0,0,0|1,0,0]=3 17206 B12R0.248 C=CC(=O)NCCCCCCCO 240690a_100011996573_200121576911 [0,2,0,0,0,0|2,0,0]=4 17207 B12R0.248 C=CC(=O)NCCCCOCCC 34a_100014118770_100000210303 [0,2,0,0,0,0|2,0,0]=4 17208 B12R0.248 C=CC(=O)NCCCOCCCC 1626a_200000211371_100000185746 [0,2,0,0,0,0|2,0,0]=4 17209 B12R0.248 C=CC(=O)NCCCOCCCC 240690a_200000211371_200121576911 [0,2,0,0,0,0|2,0,0]=4 17210 B12R0.248 C=CC(=O)NCCNCCCCC 2230a_114873766552_100000210326 [0,2,0,0,0,0|2,0,0]=4 17211 B12R0.248 C=CC(=O)NCCOCCCCC 34a_100011304386_100000718602 [0,2,0,0,0,0|2,0,0]=4 17212 B12R0.248 C=CC(=O)OCCCCCCNC 2230a_106832991635_100009894100 [0,2,0,0,0,0|2,0,0]=4 17213 B12R0.248 C=CC(=O)OCCCCCCNC 34a_100102657272_100009894100 [0,2,0,0,0,0|2,0,0]=4 17214 B12R0.248 C=CC(=O)OCCCCCCNC 7a_106832991635_100009894100 [0,2,0,0,0,0|2,0,0]=4 17215 B12R0.248 C=CC(=O)OCCCCCCOC 34a_100138415774_100009894100 [0,2,0,0,0,0|2,0,0]=4 17216 B12R0.248 C=CC(=O)OCCCCCCSC 62a_100009894100_200000210301 [0,2,0,0,0,0|2,0,0]=4 17217 B12R0.248 C=CC(=O)OCCCCCCSC 62a_200000210301_100009894100 [0,2,0,0,0,0|2,0,0]=4 17218 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_100009894100_200025704644 [0,2,0,0,0,0|2,0,0]=4 17219 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_200025704644_100009894100 [0,2,0,0,0,0|2,0,0]=4 17220 B12R0.248 C=CC(=O)OCCCCCOCC 7a_200011023508_100000210202 [0,2,0,0,0,0|2,0,0]=4 17221 B12R0.248 C=CC(=O)OCCNCCCCC 2230a_100000209983_100009813456 [0,2,0,0,0,0|2,0,0]=4 17222 B12R0.248 C=CC(=O)OCCOCCCCC 34a_100000210253_100009813456 [0,2,0,0,0,0|2,0,0]=4 17223 B12R0.248 C=CC(=O)OCCOCCCCC 7a_100000210253_100009813456 [0,2,0,0,0,0|2,0,0]=4 17224 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100000210326_100009813456 [0,2,0,0,0,0|2,0,0]=4 17225 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100009813456_100000210326 [0,2,0,0,0,0|2,0,0]=4 17226 B12R0.248 C=CC(C)COCCCCCC=O 7a_100011215527_100000139337 [0,2,0,0,0,0|1,0,0]=3 17227 B12R0.248 C=CC(C)COCCCCCCC 34a_100011215527_100000210614 [0,2,0,0,0,0|1,0,0]=3 17228 B12R0.248 C=CC(C)COCCCCCCC 7a_100011215527_100000210614 [0,2,0,0,0,0|1,0,0]=3 17229 B12R0.248 C=CC(C)COCCCCCCF 34a_100011215527_100015922095 [0,2,0,0,0,0|2,0,0]=4 17230 B12R0.248 C=CC(C)COCCCCCCF 7a_100011215527_100015922095 [0,2,0,0,0,0|2,0,0]=4 17231 B12R0.248 C=CC(C)COCCCCCCO 34a_100011215527_100000766143 [0,2,0,0,0,0|2,0,0]=4 17232 B12R0.248 C=CC(C)COCCCCCCO 7a_100011215527_100000766143 [0,2,0,0,0,0|2,0,0]=4 17233 B12R0.248 C=CC(C)COCCOCCCC 34a_100011215527_100000743108 [0,2,0,0,0,0|2,0,0]=4 17234 B12R0.248 C=CC(C)COCCOCCCC 7a_100011215527_100000743108 [0,2,0,0,0,0|2,0,0]=4 17235 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [0,2,0,0,0,0|1,0,0]=3 17236 B12R0.248 C=CC(C)OCCCCCCCO 34a_100000695699_100000760002 [0,2,0,0,0,0|2,0,0]=4 17237 B12R0.248 C=CC(C)OCCCCCCOC 34a_100000695699_100011998445 [0,2,0,0,0,0|2,0,0]=4 17238 B12R0.248 C=CC(C)SCCCCCCCC 62a_100011215867_100000210317 [0,2,0,0,0,0|1,0,0]=3 17239 B12R0.248 C=CC(C)SCCCCCCCO 62a_100011215867_100000760002 [0,2,0,0,0,0|2,0,0]=4 17240 B12R0.248 C=CC(C)SCCCCCCOC 62a_100011215867_100011998445 [0,2,0,0,0,0|2,0,0]=4 17241 B12R0.248 C=CC(O)CNCCCCCCC 2230a_100000229938_100000730141 [0,2,0,0,0,0|1,0,0]=3 17242 B12R0.248 C=CC(O)CNCCCCCCO 2230a_100000686447_100000730141 [0,2,0,0,0,0|2,0,0]=4 17243 B12R0.248 C=CC(O)CNCCCCCCO 34a_100000686447_100000730141 [0,2,0,0,0,0|2,0,0]=4 17244 B12R0.248 C=CC(O)CNCCCCCOC 2230a_100000747528_100000730141 [0,2,0,0,0,0|2,0,0]=4 17245 B12R0.248 C=CC(O)CNCCCCCOC 34a_100000747528_100000730141 [0,2,0,0,0,0|2,0,0]=4 17246 B12R0.248 C=CC(O)CNCCCOCCC 2230a_100011217757_100000730141 [0,2,0,0,0,0|2,0,0]=4 17247 B12R0.248 C=CC(O)CNCCCOCCC 34a_100011217757_100000730141 [0,2,0,0,0,0|2,0,0]=4 17248 B12R0.248 C=CC(O)CNCCSCCCC 2230a_100025743550_100000730141 [0,2,0,0,0,0|2,0,0]=4 17249 B12R0.248 C=CC(O)COCCCCCCBr 34a_100011215345_100000730141 [0,2,0,0,0,0|2,0,0]=4 17250 B12R0.248 C=CC(O)COCCCCCCBr 7a_100011215345_100000730141 [0,2,0,0,0,0|2,0,0]=4 17251 B12R0.248 C=CC(O)COCCCCCCC 34a_100000210272_100000730141 [0,2,0,0,0,0|1,0,0]=3 17252 B12R0.248 C=CC(O)COCCCCCCC 7a_100000210272_100000730141 [0,2,0,0,0,0|1,0,0]=3 17253 B12R0.248 C=CC(O)COCCCCCCCl 34a_100000766143_100000730141 [0,2,0,0,0,0|2,0,0]=4 17254 B12R0.248 C=CC(O)COCCCCCCCl 7a_100000766143_100000730141 [0,2,0,0,0,0|2,0,0]=4 17255 B12R0.248 C=CC(O)COCCCCCCF 34a_100000732779_100000730141 [0,2,0,0,0,0|2,0,0]=4 17256 B12R0.248 C=CC(O)COCCCCCCF 7a_100000732779_100000730141 [0,2,0,0,0,0|2,0,0]=4 17257 B12R0.248 C=CC(O)COCCCCCCN 34a_100000686447_100000730141 [0,2,0,0,0,0|2,0,0]=4 17258 B12R0.248 C=CC(O)COCCCCCNC 34a_100000722520_100000730141 [0,2,0,0,0,0|2,0,0]=4 17259 B12R0.248 C=CC(O)COCCOCCCC 34a_100000210238_100000730141 [0,2,0,0,0,0|2,0,0]=4 17260 B12R0.248 C=CC(O)COCCOCCCC 7a_100000210238_100000730141 [0,2,0,0,0,0|2,0,0]=4 17261 B12R0.248 C=CC(O)COCCSCCCC 34a_200000230436_100000730141 [0,2,0,0,0,0|2,0,0]=4 17262 B12R0.248 C=CC(O)COCCSCCCC 7a_200000230436_100000730141 [0,2,0,0,0,0|2,0,0]=4 17263 B12R0.248 C=CC(O)CSCCCCCC=O 62a_100000139337_100000730141 [0,2,0,0,0,0|0,0,2]=4 17264 B12R0.248 C=CC(O)CSCCCCCC=O 62a_100000730141_100000139337 [0,2,0,0,0,0|0,0,2]=4 17265 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000210614_100000730141 [0,2,0,0,0,0|1,0,0]=3 17266 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000730141_100000210316 [0,2,0,0,0,0|1,0,0]=3 17267 B12R0.248 C=CC(O)CSCCCCCCF 62a_100000730141_100015922095 [0,2,0,0,0,0|2,0,0]=4 17268 B12R0.248 C=CC(O)CSCCCCCCF 62a_100015922095_100000730141 [0,2,0,0,0,0|2,0,0]=4 17269 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000730141_100000766143 [0,2,0,0,0,0|2,0,0]=4 17270 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000766143_100000730141 [0,2,0,0,0,0|2,0,0]=4 17271 B12R0.248 C=CC(O)CSCCOCCCC 62a_100000730141_100000743108 [0,2,0,0,0,0|2,0,0]=4 17272 B12R0.248 C=CC(O)CSCCOCCCC 62a_100000743108_100000730141 [0,2,0,0,0,0|2,0,0]=4 17273 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [0,2,0,0,0,0|0,0,2]=4 17274 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,2,0,0,0,0|1,0,0]=3 17275 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,2,0,0,0,0|1,0,0]=3 17276 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [0,2,0,0,0,0|0,0,2]=4 17277 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,2,0,0,0,0|0,0,2]=4 17278 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [0,2,0,0,0,0|0,0,2]=4 17279 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [0,2,0,0,0,0|0,0,2]=4 17280 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [0,2,0,0,0,0|0,0,2]=4 17281 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [0,2,0,0,0,0|0,0,2]=4 17282 B12R0.248 C=CCCCCCCCN(C)CC 2230a_100000225621_100012355270 [0,2,0,0,0,0|1,0,0]=3 17283 B12R0.248 C=CCCCCCCCN(C)CC 269982a_100000225621_100012355270 [0,2,0,0,0,0|1,0,0]=3 17284 B12R0.248 C=CCCCCCCNC(C)C#N 2230a_100000737613_100011215473 [0,2,0,0,0,0|2,0,0]=4 17285 B12R0.248 C=CCCCCCCNC(C)CC 2230a_100000209981_100011215473 [0,2,0,0,0,0|1,0,0]=3 17286 B12R0.248 C=CCCCCCCN[C@H](C)CO 2230a_100000737577_100011215473 [0,2,0,0,0,0|2,0,0]=4 17287 B12R0.248 C=CCCCCCCOC(C)C#N 34a_100011218135_100011215473 [0,2,0,0,0,0|2,0,0]=4 17288 B12R0.248 C=CCCCCCCOC(C)C#N 7a_200011216477_100000703298 [0,2,0,0,0,0|2,0,0]=4 17289 B12R0.248 C=CCCCCCCOC(C)C=C 34a_100000695699_100011215473 [0,2,0,0,0,0|2,0,0]=4 17290 B12R0.248 C=CCCCCCCOC(C)CC 34a_200011216477_100011215416 [0,2,0,0,0,0|1,0,0]=3 17291 B12R0.248 C=CCCCCCCOC(C)CC 7a_100000210228_100011215473 [0,2,0,0,0,0|1,0,0]=3 17292 B12R0.248 C=CCCCCCCOC(C)CC 7a_200011216477_100000758301 [0,2,0,0,0,0|1,0,0]=3 17293 B12R0.248 C=CCCCCCCOC(C)CF 34a_100016041109_100011215473 [0,2,0,0,0,0|2,0,0]=4 17294 B12R0.248 C=CCCCCCCOC(C)CF 7a_100016041109_100011215473 [0,2,0,0,0,0|2,0,0]=4 17295 B12R0.248 C=CCCCCCCOC(C)CN 34a_100000210904_100011215473 [0,2,0,0,0,0|2,0,0]=4 17296 B12R0.248 C=CCCCCCCOC(C)CO 34a_200011216477_100012180447 [0,2,0,0,0,0|2,0,0]=4 17297 B12R0.248 C=CCCCCCCOC(C)CO 7a_200011216477_100012180447 [0,2,0,0,0,0|2,0,0]=4 17298 B12R0.248 C=CCCCCCCSC(C)C#N 62a_100000703298_100011215473 [0,2,0,0,0,0|2,0,0]=4 17299 B12R0.248 C=CCCCCCCSC(C)C#N 62a_100011215473_100000703298 [0,2,0,0,0,0|2,0,0]=4 17300 B12R0.248 C=CCCCCCCSC(C)C=C 62a_100011215867_100011215473 [0,2,0,0,0,0|2,0,0]=4 17301 B12R0.248 C=CCCCCCCSC(C)CC 62a_100000758301_100011215473 [0,2,0,0,0,0|1,0,0]=3 17302 B12R0.248 C=CCCCCCCSC(C)CC 62a_100011215473_100000758301 [0,2,0,0,0,0|1,0,0]=3 17303 B12R0.248 C=CCCCCCCSC(C)CO 62a_100012180447_100011215473 [0,2,0,0,0,0|2,0,0]=4 17304 B12R0.248 C=CCCCCCCSC(C)OC 62a_100009879195_100011215473 [0,2,0,0,0,0|2,0,0]=4 17305 B12R0.248 C=CCCCCCCSC(C)OC 62a_100011215473_100009879195 [0,2,0,0,0,0|2,0,0]=4 17306 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100011215473_100016084084 [0,2,0,0,0,0|2,0,0]=4 17307 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100016084084_100011215473 [0,2,0,0,0,0|2,0,0]=4 17308 B12R0.248 C=CCCCCCNCC(C)CC 2230a_100020588543_100000700193 [0,2,0,0,0,0|1,0,0]=3 17309 B12R0.248 C=CCCCCCNCC(C)CO 34a_100000744482_100000700193 [0,2,0,0,0,0|2,0,0]=4 17310 B12R0.248 C=CCCCCCNCC(O)CC 2230a_100011218483_100000700193 [0,2,0,0,0,0|1,0,0]=3 17311 B12R0.248 C=CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000700193 [0,2,0,0,0,0|2,0,0]=4 17312 B12R0.248 C=CCCCCCNC[C@@H](F)CO 34a_100015665980_100000700193 [0,2,0,0,0,0|2,0,0]=4 17313 B12R0.248 C=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000700193 [0,2,0,0,0,0|2,0,0]=4 17314 B12R0.248 C=CCCCCCOCC(=O)CC 34a_100000725409_100000700193 [0,2,0,0,0,0|1,0,1]=4 17315 B12R0.248 C=CCCCCCOCC(=O)CC 7a_100011216702_100000747405 [0,2,0,0,0,0|1,0,1]=4 17316 B12R0.248 C=CCCCCCOCC(C)C=C 34a_100011215527_100000700193 [0,2,0,0,0,0|2,0,0]=4 17317 B12R0.248 C=CCCCCCOCC(C)C=C 7a_100011215527_100000700193 [0,2,0,0,0,0|2,0,0]=4 17318 B12R0.248 C=CCCCCCOCC(C)CC 34a_100011216702_100000748023 [0,2,0,0,0,0|1,0,0]=3 17319 B12R0.248 C=CCCCCCOCC(C)CC 7a_100011216702_100000748023 [0,2,0,0,0,0|1,0,0]=3 17320 B12R0.248 C=CCCCCCOCC(C)CN 34a_100000744482_100000700193 [0,2,0,0,0,0|2,0,0]=4 17321 B12R0.248 C=CCCCCCOCC(C)OC 34a_100000690652_100000700193 [0,2,0,0,0,0|2,0,0]=4 17322 B12R0.248 C=CCCCCCOCC(Cl)CCl 34a_100000033668_100000700193 [0,2,0,0,0,0|2,0,0]=4 17323 B12R0.248 C=CCCCCCOCC(O)CC 34a_100011216702_100011218378 [0,2,0,0,0,0|1,0,0]=3 17324 B12R0.248 C=CCCCCCOCC(O)CC 7a_100011216702_100011218378 [0,2,0,0,0,0|1,0,0]=3 17325 B12R0.248 C=CCCCCCOCC(O)CO 34a_100011216702_100011219619 [0,2,0,0,0,0|2,0,0]=4 17326 B12R0.248 C=CCCCCCOCC(O)CO 7a_100011216702_100011219619 [0,2,0,0,0,0|2,0,0]=4 17327 B12R0.248 C=CCCCCCOC[C@@H](C)CC 34a_100011216702_100009816398 [0,2,0,0,0,0|1,0,0]=3 17328 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100009816381_100000700193 [0,2,0,0,0,0|1,0,0]=3 17329 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100011216702_100009816398 [0,2,0,0,0,0|1,0,0]=3 17330 B12R0.248 C=CCCCCCOC[C@@H](C)CO 34a_100011216702_100000059175 [0,2,0,0,0,0|2,0,0]=4 17331 B12R0.248 C=CCCCCCOC[C@@H](C)CO 7a_100011216702_100000059175 [0,2,0,0,0,0|2,0,0]=4 17332 B12R0.248 C=CCCCCCOC[C@@H](O)CF 34a_100011216702_100015614560 [0,2,0,0,0,0|2,0,0]=4 17333 B12R0.248 C=CCCCCCOC[C@@H](O)CF 7a_100011216702_100015614560 [0,2,0,0,0,0|2,0,0]=4 17334 B12R0.248 C=CCCCCCOC[C@@H](O)CO 34a_100011216702_100009815848 [0,2,0,0,0,0|2,0,0]=4 17335 B12R0.248 C=CCCCCCOC[C@@H](O)CO 7a_100011216702_100009815848 [0,2,0,0,0,0|2,0,0]=4 17336 B12R0.248 C=CCCCCCOC[C@H](F)CN 34a_100015665980_100000700193 [0,2,0,0,0,0|2,0,0]=4 17337 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000700193_100000747405 [0,2,0,0,0,0|1,0,1]=4 17338 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000747405_100000700193 [0,2,0,0,0,0|1,0,1]=4 17339 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000700193_100000748023 [0,2,0,0,0,0|1,0,0]=3 17340 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000748023_100000700193 [0,2,0,0,0,0|1,0,0]=3 17341 B12R0.248 C=CCCCCCSCC(O)CC 62a_100000700193_100011218378 [0,2,0,0,0,0|1,0,0]=3 17342 B12R0.248 C=CCCCCCSCC(O)CC 62a_100011218378_100000700193 [0,2,0,0,0,0|1,0,0]=3 17343 B12R0.248 C=CCCCCCSCC(O)CO 62a_100000700193_100011219619 [0,2,0,0,0,0|2,0,0]=4 17344 B12R0.248 C=CCCCCCSCC(O)CO 62a_100011219619_100000700193 [0,2,0,0,0,0|2,0,0]=4 17345 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100000700193_100009816398 [0,2,0,0,0,0|1,0,0]=3 17346 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100009816398_100000700193 [0,2,0,0,0,0|1,0,0]=3 17347 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000059175_100000700193 [0,2,0,0,0,0|2,0,0]=4 17348 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000700193_100000059175 [0,2,0,0,0,0|2,0,0]=4 17349 B12R0.248 C=CCCCCCSC[C@@H](O)CF 62a_100000700193_100015614560 [0,2,0,0,0,0|2,0,0]=4 17350 B12R0.248 C=CCCCCCSC[C@@H](O)CF 62a_100015614560_100000700193 [0,2,0,0,0,0|2,0,0]=4 17351 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100000700193_100009815848 [0,2,0,0,0,0|2,0,0]=4 17352 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000700193 [0,2,0,0,0,0|2,0,0]=4 17353 B12R0.248 C=CCCCCNCCC(C)CC 2230a_100020591266_100011215482 [0,2,0,0,0,0|1,0,0]=3 17354 B12R0.248 C=CCCCCNCCC(C)CO 2230a_106354213184_100011215482 [0,2,0,0,0,0|2,0,0]=4 17355 B12R0.248 C=CCCCCNCCC(C)CO 34a_106354213184_100011215482 [0,2,0,0,0,0|2,0,0]=4 17356 B12R0.248 C=CCCCCOCCC(C)CC 7a_100011215188_100011215482 [0,2,0,0,0,0|1,0,0]=3 17357 B12R0.248 C=CCCCCOCCC(C)OC 7a_100000764861_100011215482 [0,2,0,0,0,0|2,0,0]=4 17358 B12R0.248 C=CCCCNCCCN(C)CC 2230a_100000700776_100015186262 [0,2,0,0,0,0|2,0,0]=4 17359 B12R0.248 C=CCCCOCCCC(C)CC 7a_100011216074_100000757094 [0,2,0,0,0,0|1,0,0]=3 17360 B12R0.248 C=CCCCOCCCN(C)CC 7a_100000758997_100015186262 [0,2,0,0,0,0|2,0,0]=4 17361 B12R0.248 C=CCCCOCCC[C@@H](C)CN 34a_100160569302_100000757094 [0,2,0,0,0,0|2,0,0]=4 17362 B12R0.248 C=CCCCSCCCN(C)CC 62a_100011713584_100015186262 [0,2,0,0,0,0|2,0,0]=4 17363 B12R0.248 C=CCOCCCCCC(C)CC 7a_200000035636_100015514636 [0,2,0,0,0,0|1,0,0]=3 17364 B12R0.248 C=COCCCCOCC(C)CC 34a_100000031558_100000748023 [0,2,0,0,0,0|2,0,0]=4 17365 B12R0.248 C=COCCCCOCC(C)CC 7a_100000031558_100000748023 [0,2,0,0,0,0|2,0,0]=4 17366 B12R0.248 C=COCCCCOCC(O)CC 34a_100000031558_100011218378 [0,2,0,0,0,0|2,0,0]=4 17367 B12R0.248 C=COCCCCOCC(O)CC 7a_100000031558_100011218378 [0,2,0,0,0,0|2,0,0]=4 17368 B12R0.248 C=COCCCCOC[C@@H](C)CC 34a_100000031558_100009816398 [0,2,0,0,0,0|2,0,0]=4 17369 B12R0.248 C=COCCCCOC[C@@H](C)CC 7a_100000031558_100009816398 [0,2,0,0,0,0|2,0,0]=4 17370 B12R0.248 C=COCCOCCCC(C)CC 7a_100011216074_100000039644 [0,2,0,0,0,0|2,0,0]=4 17371 B12R0.248 C=C[C@H](N)COCCCCCCC 34a_100016989147_100000210614 [0,2,0,0,0,0|1,0,0]=3 17372 B12R0.248 C=C[C@H](N)COCCCCCCF 34a_100016989147_100015922095 [0,2,0,0,0,0|2,0,0]=4 17373 B12R0.248 C=C[C@H](N)COCCCCCCO 34a_100016989147_100000766143 [0,2,0,0,0,0|2,0,0]=4 17374 B12R0.248 C=C[C@H](N)COCCOCCCC 34a_100016989147_100000743108 [0,2,0,0,0,0|2,0,0]=4 17375 B12R0.248 CC(CO)CCNCCCCC=O 2230a_106354213184_100000139335 [0,2,0,0,0,0|1,0,0]=3 17376 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,2,0,0,0,0|1,0,0]=3 17377 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,2,0,0,0,0|2,0,0]=4 17378 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,2,0,0,0,0|2,0,0]=4 17379 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,2,0,0,0,0|2,0,0]=4 17380 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,2,0,0,0,0|2,0,0]=4 17381 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,2,0,0,0,0|2,0,0]=4 17382 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000139337_100000747405 [0,2,0,0,0,0|0,0,1]=3 17383 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000747405_100000139337 [0,2,0,0,0,0|0,0,1]=3 17384 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,2,0,0,0,0|2,0,0]=4 17385 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,2,0,0,0,0|2,0,0]=4 17386 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,2,0,0,0,0|2,0,0]=4 17387 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,2,0,0,0,0|2,0,0]=4 17388 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,2,0,0,0,0|2,0,0]=4 17389 B12R0.248 CCC(=O)NCCOCCCC=O 7a_200000158885_200011292268 [0,2,0,0,0,0|1,0,1]=4 17390 B12R0.248 CCC(=O)OCCOCCCC=O 7a_200000031056_200011292268 [0,2,0,0,0,0|1,0,1]=4 17391 B12R0.248 CCC(C)CCCCCOCC#N 7a_200000035636_100011215382 [0,2,0,0,0,0|1,0,1]=4 17392 B12R0.248 CCC(C)CCCCCOCC=O 7a_200000035636_200015260668 [0,2,0,0,0,0|0,0,0]=2 17393 B12R0.248 CCC(C)CCCCCOCCF 7a_200000035636_100011217306 [0,2,0,0,0,0|1,0,1]=4 17394 B12R0.248 CCC(C)CCCCCOCCO 7a_200000035636_100000211926 [0,2,0,0,0,0|0,0,2]=4 17395 B12R0.248 CCC(C)CCCOCCCC#N 7a_100011216074_100000687738 [0,2,0,0,0,0|1,0,1]=4 17396 B12R0.248 CCC(C)CCCOCCCC=O 7a_100011216074_200011292268 [0,2,0,0,0,0|0,0,0]=2 17397 B12R0.248 CCC(C)CCCOCCCCF 7a_100011216074_100000729493 [0,2,0,0,0,0|1,0,1]=4 17398 B12R0.248 CCC(C)CCCOCCCCO 7a_100011216074_100000210776 [0,2,0,0,0,0|0,0,2]=4 17399 B12R0.248 CCC(C)CCCOCCCOC 7a_100011216074_100000740836 [0,2,0,0,0,0|2,0,0]=4 17400 B12R0.248 CCC(C)CCNCCCCC#N 2230a_100020591266_100000211819 [0,2,0,0,0,0|1,0,1]=4 17401 B12R0.248 CCC(C)CCNCCCCC=O 2230a_100020591266_100000139335 [0,2,0,0,0,0|0,0,0]=2 17402 B12R0.248 CCC(C)CCNCCCCCF 2230a_100020591266_100000729378 [0,2,0,0,0,0|1,0,1]=4 17403 B12R0.248 CCC(C)CCNCCCCCO 2230a_100020591266_100000746330 [0,2,0,0,0,0|0,0,2]=4 17404 B12R0.248 CCC(C)CCNCCCCOC 2230a_100020591266_100000730899 [0,2,0,0,0,0|2,0,0]=4 17405 B12R0.248 CCC(C)CCOCCCCC#N 7a_100011215188_100000211819 [0,2,0,0,0,0|1,0,1]=4 17406 B12R0.248 CCC(C)CCOCCCCC=O 7a_100011215188_100000139335 [0,2,0,0,0,0|0,0,0]=2 17407 B12R0.248 CCC(C)CCOCCCCCF 7a_100011215188_100000729378 [0,2,0,0,0,0|1,0,1]=4 17408 B12R0.248 CCC(C)CCOCCCCCO 7a_100011215188_100000746330 [0,2,0,0,0,0|0,0,2]=4 17409 B12R0.248 CCC(C)CCOCCCCOC 7a_100011215188_100000730899 [0,2,0,0,0,0|2,0,0]=4 17410 B12R0.248 CCC(C)CNCCCCCC#N 2230a_100020588543_100009813376 [0,2,0,0,0,0|1,0,1]=4 17411 B12R0.248 CCC(C)CNCCCCCC#N 270004a_100000061152_100000243153 [0,2,0,0,0,0|1,0,1]=4 17412 B12R0.248 CCC(C)CNCCCCCC=O 2230a_100020588543_100000139337 [0,2,0,0,0,0|0,0,0]=2 17413 B12R0.248 CCC(C)CNCCCCCCF 2230a_100020588543_100015922095 [0,2,0,0,0,0|1,0,1]=4 17414 B12R0.248 CCC(C)CNCCCCCCO 2230a_100000686447_100000748023 [0,2,0,0,0,0|0,0,2]=4 17415 B12R0.248 CCC(C)CNCCCCCCO 2230a_100020588543_100000766143 [0,2,0,0,0,0|0,0,2]=4 17416 B12R0.248 CCC(C)CNCCCCCCO 270004a_100000686447_100000243153 [0,2,0,0,0,0|0,0,2]=4 17417 B12R0.248 CCC(C)CNCCCCCCO 34a_100000686447_100000748023 [0,2,0,0,0,0|0,0,2]=4 17418 B12R0.248 CCC(C)CNCCCCCOC 2230a_100000747528_100000748023 [0,2,0,0,0,0|2,0,0]=4 17419 B12R0.248 CCC(C)CNCCCCCOC 270004a_100000747528_100000243153 [0,2,0,0,0,0|2,0,0]=4 17420 B12R0.248 CCC(C)CNCCCCCOC 34a_100000747528_100000748023 [0,2,0,0,0,0|2,0,0]=4 17421 B12R0.248 CCC(C)COCCCCCCBr 34a_100011215345_100000748023 [0,2,0,0,0,0|1,0,1]=4 17422 B12R0.248 CCC(C)COCCCCCCBr 7a_100011215345_100000748023 [0,2,0,0,0,0|1,0,1]=4 17423 B12R0.248 CCC(C)COCCCCCCCl 34a_100000766143_100000748023 [0,2,0,0,0,0|1,0,1]=4 17424 B12R0.248 CCC(C)COCCCCCCCl 7a_100000766143_100000748023 [0,2,0,0,0,0|1,0,1]=4 17425 B12R0.248 CCC(C)COCCCCCCF 34a_100000732779_100000748023 [0,2,0,0,0,0|1,0,1]=4 17426 B12R0.248 CCC(C)COCCCCCCF 7a_100000732779_100000748023 [0,2,0,0,0,0|1,0,1]=4 17427 B12R0.248 CCC(C)COCCCCCCN 34a_100000686447_100000748023 [0,2,0,0,0,0|1,0,1]=4 17428 B12R0.248 CCC(C)COCCCCCNC 34a_100000722520_100000748023 [0,2,0,0,0,0|2,0,0]=4 17429 B12R0.248 CCC(C)CSCCCCCC#N 62a_100000748023_100009813376 [0,2,0,0,0,0|1,0,1]=4 17430 B12R0.248 CCC(C)CSCCCCCC#N 62a_100009813376_100000748023 [0,2,0,0,0,0|1,0,1]=4 17431 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000139337_100000748023 [0,2,0,0,0,0|0,0,0]=2 17432 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000748023_100000139337 [0,2,0,0,0,0|0,0,0]=2 17433 B12R0.248 CCC(C)CSCCCCCCF 62a_100000748023_100015922095 [0,2,0,0,0,0|1,0,1]=4 17434 B12R0.248 CCC(C)CSCCCCCCF 62a_100015922095_100000748023 [0,2,0,0,0,0|1,0,1]=4 17435 B12R0.248 CCC(C)CSCCCCCCO 62a_100000748023_100000766143 [0,2,0,0,0,0|0,0,2]=4 17436 B12R0.248 CCC(C)CSCCCCCCO 62a_100000766143_100000748023 [0,2,0,0,0,0|0,0,2]=4 17437 B12R0.248 CCC(C)NCCCCCCC#N 2230a_100000209981_100009813337 [0,2,0,0,0,0|1,0,1]=4 17438 B12R0.248 CCC(C)NCCCCCCCO 2230a_100000209981_100000760002 [0,2,0,0,0,0|0,0,2]=4 17439 B12R0.248 CCC(C)NCCCCCCCO 2230a_100011996573_100000758301 [0,2,0,0,0,0|0,0,2]=4 17440 B12R0.248 CCC(C)NCCCCCCCO 34a_100011996573_100011215416 [0,2,0,0,0,0|0,0,2]=4 17441 B12R0.248 CCC(C)NCCCCCCOC 2230a_100000209981_100011998445 [0,2,0,0,0,0|2,0,0]=4 17442 B12R0.248 CCC(C)OCCCCCCC#N 7a_100000210228_100009813337 [0,2,0,0,0,0|1,0,1]=4 17443 B12R0.248 CCC(C)OCCCCCCCBr 34a_100000760002_100011215416 [0,2,0,0,0,0|1,0,1]=4 17444 B12R0.248 CCC(C)OCCCCCCCBr 7a_100000760002_100000758301 [0,2,0,0,0,0|1,0,1]=4 17445 B12R0.248 CCC(C)OCCCCCCCN 34a_100011996573_100011215416 [0,2,0,0,0,0|1,0,1]=4 17446 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [0,2,0,0,0,0|0,0,2]=4 17447 B12R0.248 CCC(C)OCCCCCCOC 34a_200012092642_100011215416 [0,2,0,0,0,0|2,0,0]=4 17448 B12R0.248 CCC(C)OCCCCCCOC 7a_100000210228_100011998445 [0,2,0,0,0,0|2,0,0]=4 17449 B12R0.248 CCC(C)OCCCCCCOC 7a_200012092642_100000758301 [0,2,0,0,0,0|2,0,0]=4 17450 B12R0.248 CCC(C)SCCCCCCC#N 62a_100000758301_100009813337 [0,2,0,0,0,0|1,0,1]=4 17451 B12R0.248 CCC(C)SCCCCCCC#N 62a_100009813337_100000758301 [0,2,0,0,0,0|1,0,1]=4 17452 B12R0.248 CCC(C)SCCCCCCCO 62a_100000758301_100000760002 [0,2,0,0,0,0|0,0,2]=4 17453 B12R0.248 CCC(C)SCCCCCCCO 62a_100000760002_100000758301 [0,2,0,0,0,0|0,0,2]=4 17454 B12R0.248 CCC(C)SCCCCCCOC 62a_100000758301_100011998445 [0,2,0,0,0,0|2,0,0]=4 17455 B12R0.248 CCC(C)SCCCCCCOC 62a_100011998445_100000758301 [0,2,0,0,0,0|2,0,0]=4 17456 B12R0.248 CCC(O)CNCCCCCC#N 2230a_100011218483_100009813376 [0,2,0,0,0,0|1,0,1]=4 17457 B12R0.248 CCC(O)CNCCCCCC=O 2230a_100011218483_100000139337 [0,2,0,0,0,0|0,0,0]=2 17458 B12R0.248 CCC(O)CNCCCCCCF 2230a_100011218483_100015922095 [0,2,0,0,0,0|1,0,1]=4 17459 B12R0.248 CCC(O)CNCCCCCCO 2230a_100000686447_100011218378 [0,2,0,0,0,0|0,0,2]=4 17460 B12R0.248 CCC(O)CNCCCCCCO 2230a_100011218483_100000766143 [0,2,0,0,0,0|0,0,2]=4 17461 B12R0.248 CCC(O)CNCCCCCCO 34a_100000686447_100011218378 [0,2,0,0,0,0|0,0,2]=4 17462 B12R0.248 CCC(O)CNCCCCCOC 2230a_100000747528_100011218378 [0,2,0,0,0,0|2,0,0]=4 17463 B12R0.248 CCC(O)CNCCCCCOC 34a_100000747528_100011218378 [0,2,0,0,0,0|2,0,0]=4 17464 B12R0.248 CCC(O)COCCCCCCBr 34a_100011215345_100011218378 [0,2,0,0,0,0|1,0,1]=4 17465 B12R0.248 CCC(O)COCCCCCCBr 7a_100011215345_100011218378 [0,2,0,0,0,0|1,0,1]=4 17466 B12R0.248 CCC(O)COCCCCCCCl 34a_100000766143_100011218378 [0,2,0,0,0,0|1,0,1]=4 17467 B12R0.248 CCC(O)COCCCCCCCl 7a_100000766143_100011218378 [0,2,0,0,0,0|1,0,1]=4 17468 B12R0.248 CCC(O)COCCCCCCF 34a_100000732779_100011218378 [0,2,0,0,0,0|1,0,1]=4 17469 B12R0.248 CCC(O)COCCCCCCF 7a_100000732779_100011218378 [0,2,0,0,0,0|1,0,1]=4 17470 B12R0.248 CCC(O)COCCCCCCN 34a_100000686447_100011218378 [0,2,0,0,0,0|1,0,1]=4 17471 B12R0.248 CCC(O)COCCCCCNC 34a_100000722520_100011218378 [0,2,0,0,0,0|2,0,0]=4 17472 B12R0.248 CCC(O)CSCCCCCC#N 62a_100009813376_100011218378 [0,2,0,0,0,0|1,0,1]=4 17473 B12R0.248 CCC(O)CSCCCCCC#N 62a_100011218378_100009813376 [0,2,0,0,0,0|1,0,1]=4 17474 B12R0.248 CCC(O)CSCCCCCC=O 62a_100000139337_100011218378 [0,2,0,0,0,0|0,0,0]=2 17475 B12R0.248 CCC(O)CSCCCCCC=O 62a_100011218378_100000139337 [0,2,0,0,0,0|0,0,0]=2 17476 B12R0.248 CCC(O)CSCCCCCCF 62a_100011218378_100015922095 [0,2,0,0,0,0|1,0,1]=4 17477 B12R0.248 CCC(O)CSCCCCCCF 62a_100015922095_100011218378 [0,2,0,0,0,0|1,0,1]=4 17478 B12R0.248 CCC(O)CSCCCCCCO 62a_100000766143_100011218378 [0,2,0,0,0,0|0,0,2]=4 17479 B12R0.248 CCC(O)CSCCCCCCO 62a_100011218378_100000766143 [0,2,0,0,0,0|0,0,2]=4 17480 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [0,2,0,0,0,0|0,0,2]=4 17481 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,2,0,0,0,0|0,0,2]=4 17482 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,2,0,0,0,0|0,0,2]=4 17483 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,2,0,0,0,0|0,0,2]=4 17484 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,2,0,0,0,0|0,0,2]=4 17485 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,2,0,0,0,0|0,0,2]=4 17486 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,2,0,0,0,0|0,0,2]=4 17487 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,2,0,0,0,0|0,0,2]=4 17488 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,2,0,0,0,0|0,0,2]=4 17489 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,2,0,0,0,0|0,0,2]=4 17490 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,2,0,0,0,0|0,0,2]=4 17491 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,2,0,0,0,0|0,0,2]=4 17492 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,2,0,0,0,0|0,0,2]=4 17493 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,2,0,0,0,0|0,0,2]=4 17494 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,2,0,0,0,0|0,0,2]=4 17495 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,2,0,0,0,0|0,0,2]=4 17496 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,2,0,0,0,0|0,0,2]=4 17497 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,2,0,0,0,0|0,0,2]=4 17498 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,2,0,0,0,0|0,0,0]=2 17499 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,2,0,0,0,0|0,0,0]=2 17500 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,2,0,0,0,0|0,0,0]=2 17501 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,2,0,0,0,0|0,0,0]=2 17502 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,2,0,0,0,0|0,0,0]=2 17503 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,2,0,0,0,0|0,0,0]=2 17504 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,2,0,0,0,0|0,0,0]=2 17505 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,2,0,0,0,0|0,0,0]=2 17506 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [0,2,0,0,0,0|1,0,1]=4 17507 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,2,0,0,0,0|0,0,2]=4 17508 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,2,0,0,0,0|0,0,2]=4 17509 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,2,0,0,0,0|0,0,2]=4 17510 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,2,0,0,0,0|0,0,2]=4 17511 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [0,2,0,0,0,0|1,0,1]=4 17512 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [0,2,0,0,0,0|1,0,1]=4 17513 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [0,2,0,0,0,0|1,0,1]=4 17514 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [0,2,0,0,0,0|1,0,1]=4 17515 B12R0.248 CCCCCCCCCN(C)CF 269982a_100000232482_100015361967 [0,2,0,0,0,0|1,0,1]=4 17516 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 17517 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 17518 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 17519 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 17520 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,2,0,0,0,0|1,0,0]=3 17521 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,2,0,0,0,0|1,0,0]=3 17522 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,2,0,0,0,0|1,0,0]=3 17523 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,2,0,0,0,0|1,0,0]=3 17524 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,2,0,0,0,0|1,0,0]=3 17525 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,2,0,0,0,0|1,0,0]=3 17526 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,2,0,0,0,0|1,0,0]=3 17527 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,2,0,0,0,0|1,0,0]=3 17528 B12R0.248 CCCCCCCCNC(C)C#N 2230a_100000229939_100000184139 [0,2,0,0,0,0|1,0,1]=4 17529 B12R0.248 CCCCCCCCNC(C)C#N 2230a_100000737613_100000210759 [0,2,0,0,0,0|1,0,1]=4 17530 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [0,2,0,0,0,0|1,0,1]=4 17531 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [0,2,0,0,0,0|1,0,1]=4 17532 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [0,2,0,0,0,0|1,0,1]=4 17533 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [0,2,0,0,0,0|0,0,2]=4 17534 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [0,2,0,0,0,0|0,0,2]=4 17535 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [0,2,0,0,0,0|0,0,2]=4 17536 B12R0.248 CCCCCCCCOC(C)C#N 34a_100011218135_100000210759 [0,2,0,0,0,0|1,0,1]=4 17537 B12R0.248 CCCCCCCCOC(C)C#N 7a_100000210232_100000703298 [0,2,0,0,0,0|1,0,1]=4 17538 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [0,2,0,0,0,0|1,0,1]=4 17539 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [0,2,0,0,0,0|1,0,1]=4 17540 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [0,2,0,0,0,0|1,0,1]=4 17541 B12R0.248 CCCCCCCCOC(C)CF 34a_100016041109_100000210759 [0,2,0,0,0,0|1,0,1]=4 17542 B12R0.248 CCCCCCCCOC(C)CF 7a_100016041109_100000210759 [0,2,0,0,0,0|1,0,1]=4 17543 B12R0.248 CCCCCCCCOC(C)CN 34a_100000210904_100000210759 [0,2,0,0,0,0|1,0,1]=4 17544 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [0,2,0,0,0,0|0,0,2]=4 17545 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [0,2,0,0,0,0|0,0,2]=4 17546 B12R0.248 CCCCCCCCSC(C)C#N 62a_100000210759_100000703298 [0,2,0,0,0,0|1,0,1]=4 17547 B12R0.248 CCCCCCCCSC(C)C#N 62a_100000703298_100000210317 [0,2,0,0,0,0|1,0,1]=4 17548 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [0,2,0,0,0,0|1,0,1]=4 17549 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [0,2,0,0,0,0|1,0,1]=4 17550 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [0,2,0,0,0,0|0,0,2]=4 17551 B12R0.248 CCCCCCCCSC(C)OC 62a_100000210759_100009879195 [0,2,0,0,0,0|2,0,0]=4 17552 B12R0.248 CCCCCCCCSC(C)OC 62a_100009879195_100000210317 [0,2,0,0,0,0|2,0,0]=4 17553 B12R0.248 CCCCCCCCSC(F)C#N 62a_100000210759_200000117898 [0,2,0,0,0,0|1,0,1]=4 17554 B12R0.248 CCCCCCCCSC(F)C#N 62a_200000117898_100000210317 [0,2,0,0,0,0|1,0,1]=4 17555 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [0,2,0,0,0,0|0,0,2]=4 17556 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [0,2,0,0,0,0|0,0,2]=4 17557 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,2,0,0,0,0|1,0,0]=3 17558 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,2,0,0,0,0|1,0,0]=3 17559 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,2,0,0,0,0|1,0,0]=3 17560 B12R0.248 CCCCCCCNCC(C)CC 2230a_100000229938_100000748023 [0,2,0,0,0,0|1,0,1]=4 17561 B12R0.248 CCCCCCCNCC(C)CC 2230a_100020588543_100000210681 [0,2,0,0,0,0|1,0,1]=4 17562 B12R0.248 CCCCCCCNCC(C)CC 270004a_100000229938_100000243153 [0,2,0,0,0,0|1,0,1]=4 17563 B12R0.248 CCCCCCCNCC(C)CO 34a_100000744482_100000210614 [0,2,0,0,0,0|0,0,2]=4 17564 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [0,2,0,0,0,0|1,0,1]=4 17565 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [0,2,0,0,0,0|1,0,1]=4 17566 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [0,2,0,0,0,0|0,0,2]=4 17567 B12R0.248 CCCCCCCNC[C@@H](C)CC 2230a_100000229938_100009816398 [0,2,0,0,0,0|1,0,1]=4 17568 B12R0.248 CCCCCCCNC[C@@H](C)CO 2230a_100000229938_100000059175 [0,2,0,0,0,0|0,0,2]=4 17569 B12R0.248 CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210681 [0,2,0,0,0,0|2,0,0]=4 17570 B12R0.248 CCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210614 [0,2,0,0,0,0|0,0,2]=4 17571 B12R0.248 CCCCCCCNC[C@@H](O)CF 2230a_100000229938_100015614560 [0,2,0,0,0,0|1,0,1]=4 17572 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [0,2,0,0,0,0|0,0,2]=4 17573 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [0,2,0,0,0,0|0,0,2]=4 17574 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,2,0,0,0,0|1,0,0]=3 17575 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,2,0,0,0,0|1,0,0]=3 17576 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,2,0,0,0,0|1,0,0]=3 17577 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,2,0,0,0,0|1,0,0]=3 17578 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,2,0,0,0,0|1,0,0]=3 17579 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,2,0,0,0,0|1,0,0]=3 17580 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,2,0,0,0,0|1,0,0]=3 17581 B12R0.248 CCCCCCCOCC(C)CC 34a_100000210272_100000748023 [0,2,0,0,0,0|1,0,1]=4 17582 B12R0.248 CCCCCCCOCC(C)CC 7a_100000210272_100000748023 [0,2,0,0,0,0|1,0,1]=4 17583 B12R0.248 CCCCCCCOCC(C)CN 34a_100000744482_100000210614 [0,2,0,0,0,0|1,0,1]=4 17584 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [0,2,0,0,0,0|2,0,0]=4 17585 B12R0.248 CCCCCCCOCC(Cl)CCl 34a_100000033668_100000210614 [0,2,0,0,0,0|1,0,1]=4 17586 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [0,2,0,0,0,0|1,0,1]=4 17587 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [0,2,0,0,0,0|1,0,1]=4 17588 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [0,2,0,0,0,0|0,0,2]=4 17589 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [0,2,0,0,0,0|0,0,2]=4 17590 B12R0.248 CCCCCCCOC[C@@H](C)CC 34a_100000210272_100009816398 [0,2,0,0,0,0|1,0,1]=4 17591 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100000210272_100009816398 [0,2,0,0,0,0|1,0,1]=4 17592 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210614 [0,2,0,0,0,0|1,0,1]=4 17593 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [0,2,0,0,0,0|0,0,2]=4 17594 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [0,2,0,0,0,0|0,0,2]=4 17595 B12R0.248 CCCCCCCOC[C@@H](O)CF 34a_100000210272_100015614560 [0,2,0,0,0,0|1,0,1]=4 17596 B12R0.248 CCCCCCCOC[C@@H](O)CF 7a_100000210272_100015614560 [0,2,0,0,0,0|1,0,1]=4 17597 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [0,2,0,0,0,0|0,0,2]=4 17598 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [0,2,0,0,0,0|0,0,2]=4 17599 B12R0.248 CCCCCCCOC[C@H](F)CN 34a_100015665980_100000210614 [0,2,0,0,0,0|1,0,1]=4 17600 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,2,0,0,0,0|1,0,0]=3 17601 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,2,0,0,0,0|1,0,0]=3 17602 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,2,0,0,0,0|1,0,0]=3 17603 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,2,0,0,0,0|1,0,0]=3 17604 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,2,0,0,0,0|1,0,0]=3 17605 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,2,0,0,0,0|1,0,0]=3 17606 B12R0.248 CCCCCCCSCC(C)CC 62a_100000210614_100000748023 [0,2,0,0,0,0|1,0,1]=4 17607 B12R0.248 CCCCCCCSCC(C)CC 62a_100000748023_100000210316 [0,2,0,0,0,0|1,0,1]=4 17608 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [0,2,0,0,0,0|1,0,1]=4 17609 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [0,2,0,0,0,0|1,0,1]=4 17610 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [0,2,0,0,0,0|0,0,2]=4 17611 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [0,2,0,0,0,0|0,0,2]=4 17612 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100000210614_100009816398 [0,2,0,0,0,0|1,0,1]=4 17613 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210316 [0,2,0,0,0,0|1,0,1]=4 17614 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210316 [0,2,0,0,0,0|0,0,2]=4 17615 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000210614_100000059175 [0,2,0,0,0,0|0,0,2]=4 17616 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100000210614_100015614560 [0,2,0,0,0,0|1,0,1]=4 17617 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210316 [0,2,0,0,0,0|1,0,1]=4 17618 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [0,2,0,0,0,0|0,0,2]=4 17619 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [0,2,0,0,0,0|0,0,2]=4 17620 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,2,0,0,0,0|1,0,0]=3 17621 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,2,0,0,0,0|1,0,0]=3 17622 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,2,0,0,0,0|1,0,0]=3 17623 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,2,0,0,0,0|1,0,0]=3 17624 B12R0.248 CCCCCCNCCC(C)CC 2230a_100020591266_100000210314 [0,2,0,0,0,0|1,0,1]=4 17625 B12R0.248 CCCCCCNCCC(C)CO 2230a_106354213184_100000210314 [0,2,0,0,0,0|0,0,2]=4 17626 B12R0.248 CCCCCCNCCC(C)CO 34a_106354213184_100000210314 [0,2,0,0,0,0|0,0,2]=4 17627 B12R0.248 CCCCCCOCCC(=NO)N 34a_100000749954_100000210314 [0,2,0,0,0,0|1,0,1]=4 17628 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,2,0,0,0,0|1,0,0]=3 17629 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,2,0,0,0,0|1,0,0]=3 17630 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,2,0,0,0,0|1,0,0]=3 17631 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,2,0,0,0,0|1,0,0]=3 17632 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,2,0,0,0,0|1,0,0]=3 17633 B12R0.248 CCCCCCOCCC(C)CC 7a_100011215188_100000210314 [0,2,0,0,0,0|1,0,1]=4 17634 B12R0.248 CCCCCCOCCC(C)OC 7a_100000764861_100000210314 [0,2,0,0,0,0|2,0,0]=4 17635 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,2,0,0,0,0|1,0,0]=3 17636 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,2,0,0,0,0|1,0,0]=3 17637 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,2,0,0,0,0|1,0,0]=3 17638 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,2,0,0,0,0|1,0,0]=3 17639 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,2,0,0,0,0|2,0,0]=4 17640 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,2,0,0,0,0|1,0,0]=3 17641 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,2,0,0,0,0|1,0,0]=3 17642 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,2,0,0,0,0|1,0,0]=3 17643 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,2,0,0,0,0|1,0,0]=3 17644 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,2,0,0,0,0|2,0,0]=4 17645 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [0,2,0,0,0,0|2,0,0]=4 17646 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,2,0,0,0,0|1,0,0]=3 17647 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,2,0,0,0,0|1,0,0]=3 17648 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [0,2,0,0,0,0|1,0,0]=3 17649 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,2,0,0,0,0|1,0,0]=3 17650 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,2,0,0,0,0|1,0,0]=3 17651 B12R0.248 CCCCCOCCCC(C)CC 7a_100011216074_100000210326 [0,2,0,0,0,0|1,0,1]=4 17652 B12R0.248 CCCCCOCCC[C@@H](C)CN 34a_100160569302_100000718602 [0,2,0,0,0,0|1,0,1]=4 17653 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,2,0,0,0,0|2,0,0]=4 17654 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,2,0,0,0,0|2,0,0]=4 17655 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,2,0,0,0,0|2,0,0]=4 17656 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,2,0,0,0,0|2,0,0]=4 17657 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [0,2,0,0,0,0|2,0,0]=4 17658 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [0,2,0,0,0,0|2,0,0]=4 17659 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,2,0,0,0,0|2,0,0]=4 17660 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,2,0,0,0,0|1,0,0]=3 17661 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,2,0,0,0,0|1,0,0]=3 17662 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,2,0,0,0,0|1,0,0]=3 17663 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,2,0,0,0,0|1,0,0]=3 17664 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [0,2,0,0,0,0|2,0,0]=4 17665 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [0,2,0,0,0,0|2,0,0]=4 17666 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,2,0,0,0,0|1,0,0]=3 17667 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,2,0,0,0,0|1,0,0]=3 17668 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,2,0,0,0,0|2,0,0]=4 17669 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,2,0,0,0,0|2,0,0]=4 17670 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,2,0,0,0,0|1,0,0]=3 17671 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,2,0,0,0,0|1,0,0]=3 17672 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,2,0,0,0,0|1,0,0]=3 17673 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,2,0,0,0,0|1,0,0]=3 17674 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,2,0,0,0,0|2,0,0]=4 17675 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,2,0,0,0,0|2,0,0]=4 17676 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,2,0,0,0,0|2,0,0]=4 17677 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,2,0,0,0,0|2,0,0]=4 17678 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,2,0,0,0,0|2,0,0]=4 17679 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [0,2,0,0,0,0|2,0,0]=4 17680 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [0,2,0,0,0,0|2,0,0]=4 17681 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [0,2,0,0,0,0|2,0,0]=4 17682 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [0,2,0,0,0,0|2,0,0]=4 17683 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [0,2,0,0,0,0|2,0,0]=4 17684 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [0,2,0,0,0,0|2,0,0]=4 17685 B12R0.248 CCCCOCCNCC(=O)NC 2230a_100000693194_100000743108 [0,2,0,0,0,0|2,0,0]=4 17686 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,2,0,0,0,0|2,0,0]=4 17687 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,2,0,0,0,0|2,0,0]=4 17688 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,2,0,0,0,0|2,0,0]=4 17689 B12R0.248 CCCCOCCOCC(=O)CF 1458a_100011216887_100015361967 [0,2,0,0,0,0|2,0,0]=4 17690 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [0,2,0,0,0,0|2,0,0]=4 17691 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [0,2,0,0,0,0|2,0,0]=4 17692 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [0,2,0,0,0,0|2,0,0]=4 17693 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [0,2,0,0,0,0|2,0,0]=4 17694 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [0,2,0,0,0,0|2,0,0]=4 17695 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [0,2,0,0,0,0|2,0,0]=4 17696 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [0,2,0,0,0,0|2,0,0]=4 17697 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,2,0,0,0,0|2,0,0]=4 17698 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,2,0,0,0,0|2,0,0]=4 17699 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,2,0,0,0,0|2,0,0]=4 17700 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,2,0,0,0,0|2,0,0]=4 17701 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,2,0,0,0,0|2,0,0]=4 17702 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,2,0,0,0,0|2,0,0]=4 17703 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000183359_100000743108 [0,2,0,0,0,0|2,0,0]=4 17704 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000743108_100000183359 [0,2,0,0,0,0|2,0,0]=4 17705 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,2,0,0,0,0|2,0,0]=4 17706 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,2,0,0,0,0|2,0,0]=4 17707 B12R0.248 CCCCOCNCCC(=O)NC 2230a_100000738227_100011995733 [0,2,0,0,0,0|2,0,0]=4 17708 B12R0.248 CCCCOCNCCC(=O)NC 34a_100000738227_100011995733 [0,2,0,0,0,0|2,0,0]=4 17709 B12R0.248 CCCCOCOCCC(=O)NC 34a_100000754576_100011995733 [0,2,0,0,0,0|2,0,0]=4 17710 B12R0.248 CCCCOCSCCC(=O)NC 62a_100000737683_100011995733 [0,2,0,0,0,0|2,0,0]=4 17711 B12R0.248 CCCCOCSCCC(=O)NC 62a_100011995733_100000737683 [0,2,0,0,0,0|2,0,0]=4 17712 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,2,0,0,0,0|2,0,0]=4 17713 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,2,0,0,0,0|2,0,0]=4 17714 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,2,0,0,0,0|1,0,0]=3 17715 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,2,0,0,0,0|1,0,0]=3 17716 B12R0.248 CCCCSCCNCC(=O)NC 2230a_100025743550_100000183359 [0,2,0,0,0,0|2,0,0]=4 17717 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,2,0,0,0,0|2,0,0]=4 17718 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,2,0,0,0,0|2,0,0]=4 17719 B12R0.248 CCCCSCCOCC(=O)NC 34a_200000230436_100000183359 [0,2,0,0,0,0|2,0,0]=4 17720 B12R0.248 CCCCSCCOCC(=O)NC 7a_200000230436_100000183359 [0,2,0,0,0,0|2,0,0]=4 17721 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,2,0,0,0,0|2,0,0]=4 17722 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,2,0,0,0,0|2,0,0]=4 17723 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,2,0,0,0,0|2,0,0]=4 17724 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,2,0,0,0,0|2,0,0]=4 17725 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,2,0,0,0,0|1,0,0]=3 17726 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,2,0,0,0,0|1,0,0]=3 17727 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,2,0,0,0,0|1,0,0]=3 17728 B12R0.248 CCCOCCCCCC(C)CC 7a_200000035636_100000210303 [0,2,0,0,0,0|1,0,1]=4 17729 B12R0.248 CCCOCCCNCC(=O)NC 2230a_100011217757_100000183359 [0,2,0,0,0,0|2,0,0]=4 17730 B12R0.248 CCCOCCCNCC(=O)NC 34a_100011217757_100000183359 [0,2,0,0,0,0|2,0,0]=4 17731 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,2,0,0,0,0|2,0,0]=4 17732 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,2,0,0,0,0|2,0,0]=4 17733 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100000738227_100011215938 [0,2,0,0,0,0|2,0,0]=4 17734 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100161115042_100000737683 [0,2,0,0,0,0|2,0,0]=4 17735 B12R0.248 CCCOCCNCCC(=O)NC 34a_100000738227_100011215938 [0,2,0,0,0,0|2,0,0]=4 17736 B12R0.248 CCCOCCNCCC(=O)NC 34a_100161115042_100012179268 [0,2,0,0,0,0|2,0,0]=4 17737 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [0,2,0,0,0,0|2,0,0]=4 17738 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [0,2,0,0,0,0|2,0,0]=4 17739 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000752267_100012179268 [0,2,0,0,0,0|2,0,0]=4 17740 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000754576_100011215938 [0,2,0,0,0,0|2,0,0]=4 17741 B12R0.248 CCCOCCOCCC(=O)NC 7a_100000752267_100000737683 [0,2,0,0,0,0|2,0,0]=4 17742 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,2,0,0,0,0|2,0,0]=4 17743 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,2,0,0,0,0|2,0,0]=4 17744 B12R0.248 CCCOCCSCCC(=O)NC 62a_100000737683_100011215938 [0,2,0,0,0,0|2,0,0]=4 17745 B12R0.248 CCCOCCSCCC(=O)NC 62a_100011215938_100000737683 [0,2,0,0,0,0|2,0,0]=4 17746 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [0,2,0,0,0,0|2,0,0]=4 17747 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [0,2,0,0,0,0|2,0,0]=4 17748 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,2,0,0,0,0|1,0,0]=3 17749 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,2,0,0,0,0|1,0,0]=3 17750 B12R0.248 CCCSCCNCCC(=O)NC 2230a_100020603323_100000737683 [0,2,0,0,0,0|2,0,0]=4 17751 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [0,2,0,0,0,0|2,0,0]=4 17752 B12R0.248 CCCSCCOCCC(=O)NC 34a_200000230433_100012179268 [0,2,0,0,0,0|2,0,0]=4 17753 B12R0.248 CCCSCCOCCC(=O)NC 7a_200000230433_100000737683 [0,2,0,0,0,0|2,0,0]=4 17754 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,2,0,0,0,0|2,0,0]=4 17755 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,2,0,0,0,0|2,0,0]=4 17756 B12R0.248 CCN(C)CCCCCCCCO 2230a_100000225621_100000033203 [0,2,0,0,0,0|0,0,2]=4 17757 B12R0.248 CCN(C)CCCCCCCCO 269982a_100000225621_100000033203 [0,2,0,0,0,0|0,0,2]=4 17758 B12R0.248 CCN(C)CCCSCCCC=O 62a_200011292268_100015186262 [0,2,0,0,0,0|1,0,0]=3 17759 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,2,0,0,0,0|1,0,0]=3 17760 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,2,0,0,0,0|1,0,0]=3 17761 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,2,0,0,0,0|1,0,0]=3 17762 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,2,0,0,0,0|1,0,0]=3 17763 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000210961_100000737683 [0,2,0,0,0,0|2,0,0]=4 17764 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000738227_100012232248 [0,2,0,0,0,0|2,0,0]=4 17765 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000210961_100012179268 [0,2,0,0,0,0|2,0,0]=4 17766 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000738227_100012232248 [0,2,0,0,0,0|2,0,0]=4 17767 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [0,2,0,0,0,0|2,0,0]=4 17768 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [0,2,0,0,0,0|2,0,0]=4 17769 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000754576_100012232248 [0,2,0,0,0,0|2,0,0]=4 17770 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000757476_100012179268 [0,2,0,0,0,0|2,0,0]=4 17771 B12R0.248 CCOCCCOCCC(=O)NC 7a_100000757476_100000737683 [0,2,0,0,0,0|2,0,0]=4 17772 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,2,0,0,0,0|2,0,0]=4 17773 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,2,0,0,0,0|2,0,0]=4 17774 B12R0.248 CCOCCCSCCC(=O)NC 62a_100000737683_100012232248 [0,2,0,0,0,0|2,0,0]=4 17775 B12R0.248 CCOCCCSCCC(=O)NC 62a_100012232248_100000737683 [0,2,0,0,0,0|2,0,0]=4 17776 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [0,2,0,0,0,0|2,0,0]=4 17777 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [0,2,0,0,0,0|2,0,0]=4 17778 B12R0.248 CCOCCNCCCC(=O)NC 2230a_100000740002_100011215890 [0,2,0,0,0,0|2,0,0]=4 17779 B12R0.248 CCOCCNCCCC(=O)NC 2230a_102516460346_100000741757 [0,2,0,0,0,0|2,0,0]=4 17780 B12R0.248 CCOCCNCCCC(=O)NC 34a_100000740002_100000210147 [0,2,0,0,0,0|2,0,0]=4 17781 B12R0.248 CCOCCNCCCC(=O)NC 34a_102516460346_100000741757 [0,2,0,0,0,0|2,0,0]=4 17782 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [0,2,0,0,0,0|2,0,0]=4 17783 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [0,2,0,0,0,0|2,0,0]=4 17784 B12R0.248 CCOCCOCCCC(=O)NC 34a_100000210136_100000741757 [0,2,0,0,0,0|2,0,0]=4 17785 B12R0.248 CCOCCOCCCC(=O)NC 7a_100000210136_100000741757 [0,2,0,0,0,0|2,0,0]=4 17786 B12R0.248 CCOCCOCCCC(=O)NN 34a_100000211488_100000210147 [0,2,0,0,0,0|2,0,0]=4 17787 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,2,0,0,0,0|2,0,0]=4 17788 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,2,0,0,0,0|2,0,0]=4 17789 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000210147_100000741757 [0,2,0,0,0,0|2,0,0]=4 17790 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000741757_100011215890 [0,2,0,0,0,0|2,0,0]=4 17791 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [0,2,0,0,0,0|2,0,0]=4 17792 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [0,2,0,0,0,0|2,0,0]=4 17793 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [0,2,0,0,0,0|2,0,0]=4 17794 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [0,2,0,0,0,0|2,0,0]=4 17795 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,2,0,0,0,0|1,0,0]=3 17796 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,2,0,0,0,0|1,0,0]=3 17797 B12R0.248 CCSCCCOCCC(=O)NC 34a_100011216438_100012179268 [0,2,0,0,0,0|2,0,0]=4 17798 B12R0.248 CCSCCCOCCC(=O)NC 7a_100011216438_100000737683 [0,2,0,0,0,0|2,0,0]=4 17799 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,2,0,0,0,0|2,0,0]=4 17800 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,2,0,0,0,0|2,0,0]=4 17801 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000106463_100000741757 [0,2,0,0,0,0|2,0,0]=4 17802 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000740002_100000757381 [0,2,0,0,0,0|2,0,0]=4 17803 B12R0.248 CCSCCNCCCC(=O)NC 34a_100000740002_100000757381 [0,2,0,0,0,0|2,0,0]=4 17804 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [0,2,0,0,0,0|2,0,0]=4 17805 B12R0.248 CCSCCOCCCC(=O)NC 34a_100000212035_100000741757 [0,2,0,0,0,0|2,0,0]=4 17806 B12R0.248 CCSCCOCCCC(=O)NC 7a_100000212035_100000741757 [0,2,0,0,0,0|2,0,0]=4 17807 B12R0.248 CCSCCOCCCC(=O)NN 34a_100000211488_100000757381 [0,2,0,0,0,0|2,0,0]=4 17808 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,2,0,0,0,0|2,0,0]=4 17809 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,2,0,0,0,0|2,0,0]=4 17810 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000741757_100000757381 [0,2,0,0,0,0|2,0,0]=4 17811 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000757381_100000741757 [0,2,0,0,0,0|2,0,0]=4 17812 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [0,2,0,0,0,0|2,0,0]=4 17813 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [0,2,0,0,0,0|2,0,0]=4 17814 B12R0.248 CC[C@H](C)CNCCCCCCO 2230a_100000686447_100009816398 [0,2,0,0,0,0|0,0,2]=4 17815 B12R0.248 CC[C@H](C)CNCCCCCCO 34a_100000686447_100009816398 [0,2,0,0,0,0|0,0,2]=4 17816 B12R0.248 CC[C@H](C)CNCCCCCOC 2230a_100000747528_100009816398 [0,2,0,0,0,0|2,0,0]=4 17817 B12R0.248 CC[C@H](C)CNCCCCCOC 34a_100000747528_100009816398 [0,2,0,0,0,0|2,0,0]=4 17818 B12R0.248 CC[C@H](C)COCCCCCC#N 7a_100009816381_100009813376 [0,2,0,0,0,0|1,0,1]=4 17819 B12R0.248 CC[C@H](C)COCCCCCC=O 7a_100009816381_100000139337 [0,2,0,0,0,0|0,0,0]=2 17820 B12R0.248 CC[C@H](C)COCCCCCCBr 34a_100011215345_100009816398 [0,2,0,0,0,0|1,0,1]=4 17821 B12R0.248 CC[C@H](C)COCCCCCCBr 7a_100011215345_100009816398 [0,2,0,0,0,0|1,0,1]=4 17822 B12R0.248 CC[C@H](C)COCCCCCCCl 34a_100000766143_100009816398 [0,2,0,0,0,0|1,0,1]=4 17823 B12R0.248 CC[C@H](C)COCCCCCCCl 7a_100000766143_100009816398 [0,2,0,0,0,0|1,0,1]=4 17824 B12R0.248 CC[C@H](C)COCCCCCCF 34a_100000732779_100009816398 [0,2,0,0,0,0|1,0,1]=4 17825 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100000732779_100009816398 [0,2,0,0,0,0|1,0,1]=4 17826 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100009816381_100015922095 [0,2,0,0,0,0|1,0,1]=4 17827 B12R0.248 CC[C@H](C)COCCCCCCN 34a_100000686447_100009816398 [0,2,0,0,0,0|1,0,1]=4 17828 B12R0.248 CC[C@H](C)COCCCCCCO 7a_100009816381_100000766143 [0,2,0,0,0,0|0,0,2]=4 17829 B12R0.248 CC[C@H](C)COCCCCCNC 34a_100000722520_100009816398 [0,2,0,0,0,0|2,0,0]=4 17830 B12R0.248 CC[C@H](C)CSCCCCCC#N 62a_100009813376_100009816398 [0,2,0,0,0,0|1,0,1]=4 17831 B12R0.248 CC[C@H](C)CSCCCCCC#N 62a_100009816398_100009813376 [0,2,0,0,0,0|1,0,1]=4 17832 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100000139337_100009816398 [0,2,0,0,0,0|0,0,0]=2 17833 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100009816398_100000139337 [0,2,0,0,0,0|0,0,0]=2 17834 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100009816398_100015922095 [0,2,0,0,0,0|1,0,1]=4 17835 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100015922095_100009816398 [0,2,0,0,0,0|1,0,1]=4 17836 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100000766143_100009816398 [0,2,0,0,0,0|0,0,2]=4 17837 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100009816398_100000766143 [0,2,0,0,0,0|0,0,2]=4 17838 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,2,0,0,0,0|1,0,0]=3 17839 B12R0.248 CNC(=O)CCCNCCCC=O 2230a_100000740002_200011292268 [0,2,0,0,0,0|1,0,1]=4 17840 B12R0.248 CNC(=O)CCCNCCCCF 2230a_100000740002_100000729493 [0,2,0,0,0,0|2,0,0]=4 17841 B12R0.248 CNC(=O)CCCNCCCCF 34a_100000740002_100000729493 [0,2,0,0,0,0|2,0,0]=4 17842 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000740002_100000210776 [0,2,0,0,0,0|2,0,0]=4 17843 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000750430_100000741757 [0,2,0,0,0,0|2,0,0]=4 17844 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000740002_100011216708 [0,2,0,0,0,0|2,0,0]=4 17845 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000750430_100000741757 [0,2,0,0,0,0|2,0,0]=4 17846 B12R0.248 CNC(=O)CCCNCCCOC 2230a_100000740002_100000740836 [0,2,0,0,0,0|2,0,0]=4 17847 B12R0.248 CNC(=O)CCCNCCCOC 34a_100000740002_100000740836 [0,2,0,0,0,0|2,0,0]=4 17848 B12R0.248 CNC(=O)CCCNCCCOC 34a_100150723488_100000741757 [0,2,0,0,0,0|2,0,0]=4 17849 B12R0.248 CNC(=O)CCCNCCCSC 2230a_100000749238_100000741757 [0,2,0,0,0,0|2,0,0]=4 17850 B12R0.248 CNC(=O)CCCOCCCCBr 34a_100011216708_100000741757 [0,2,0,0,0,0|2,0,0]=4 17851 B12R0.248 CNC(=O)CCCOCCCCCl 34a_100000210776_100000741757 [0,2,0,0,0,0|2,0,0]=4 17852 B12R0.248 CNC(=O)CCCOCCCCCl 7a_100000210776_100000741757 [0,2,0,0,0,0|2,0,0]=4 17853 B12R0.248 CNC(=O)CCCOCCCCF 34a_100011995726_100000741757 [0,2,0,0,0,0|2,0,0]=4 17854 B12R0.248 CNC(=O)CCCOCCCCF 7a_100011995726_100000741757 [0,2,0,0,0,0|2,0,0]=4 17855 B12R0.248 CNC(=O)CCCOCCCCI 34a_200012148704_100000741757 [0,2,0,0,0,0|2,0,0]=4 17856 B12R0.248 CNC(=O)CCCOCCCCN 34a_100000750430_100000741757 [0,2,0,0,0,0|2,0,0]=4 17857 B12R0.248 CNC(=O)CCCOCCCOC 34a_100000740835_100000741757 [0,2,0,0,0,0|2,0,0]=4 17858 B12R0.248 CNC(=O)CCCOCCCSC 34a_100000690336_100000741757 [0,2,0,0,0,0|2,0,0]=4 17859 B12R0.248 CNC(=O)CCCOCCCSC 7a_100000690336_100000741757 [0,2,0,0,0,0|2,0,0]=4 17860 B12R0.248 CNC(=O)CCCSCCCC=O 62a_100000741757_200011292268 [0,2,0,0,0,0|1,0,1]=4 17861 B12R0.248 CNC(=O)CCCSCCCC=O 62a_200011292268_100000741757 [0,2,0,0,0,0|1,0,1]=4 17862 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000729493_100000741757 [0,2,0,0,0,0|2,0,0]=4 17863 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000741757_100000729493 [0,2,0,0,0,0|2,0,0]=4 17864 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000210776_100000741757 [0,2,0,0,0,0|2,0,0]=4 17865 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000741757_100000210776 [0,2,0,0,0,0|2,0,0]=4 17866 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000709357_100000741757 [0,2,0,0,0,0|2,0,0]=4 17867 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000741757_100000709357 [0,2,0,0,0,0|2,0,0]=4 17868 B12R0.248 CNC(=O)CCNCCCCC=O 2230a_100000738227_100000139335 [0,2,0,0,0,0|1,0,1]=4 17869 B12R0.248 CNC(=O)CCNCCCCCF 2230a_100000738227_100000729378 [0,2,0,0,0,0|2,0,0]=4 17870 B12R0.248 CNC(=O)CCNCCCCCF 34a_100000738227_100000729378 [0,2,0,0,0,0|2,0,0]=4 17871 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000738227_100000746330 [0,2,0,0,0,0|2,0,0]=4 17872 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000762737_100000737683 [0,2,0,0,0,0|2,0,0]=4 17873 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000738227_100000746330 [0,2,0,0,0,0|2,0,0]=4 17874 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000762737_100012179268 [0,2,0,0,0,0|2,0,0]=4 17875 B12R0.248 CNC(=O)CCNCCCCOC 2230a_100000738227_100000730899 [0,2,0,0,0,0|2,0,0]=4 17876 B12R0.248 CNC(=O)CCNCCCCOC 34a_100000738227_100000755781 [0,2,0,0,0,0|2,0,0]=4 17877 B12R0.248 CNC(=O)CCOCCCCCBr 34a_100000746331_100012179268 [0,2,0,0,0,0|2,0,0]=4 17878 B12R0.248 CNC(=O)CCOCCCCCBr 7a_100000746331_100000737683 [0,2,0,0,0,0|2,0,0]=4 17879 B12R0.248 CNC(=O)CCOCCCCCCl 34a_100000746330_100012179268 [0,2,0,0,0,0|2,0,0]=4 17880 B12R0.248 CNC(=O)CCOCCCCCCl 7a_100000746330_100000737683 [0,2,0,0,0,0|2,0,0]=4 17881 B12R0.248 CNC(=O)CCOCCCCCF 34a_100000754576_100000729378 [0,2,0,0,0,0|2,0,0]=4 17882 B12R0.248 CNC(=O)CCOCCCCCI 34a_200012148887_100012179268 [0,2,0,0,0,0|2,0,0]=4 17883 B12R0.248 CNC(=O)CCOCCCCCI 7a_200012148887_100000737683 [0,2,0,0,0,0|2,0,0]=4 17884 B12R0.248 CNC(=O)CCOCCCCCN 34a_100000762737_100012179268 [0,2,0,0,0,0|2,0,0]=4 17885 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [0,2,0,0,0,0|2,0,0]=4 17886 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000740925_100012179268 [0,2,0,0,0,0|2,0,0]=4 17887 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000754576_100000755781 [0,2,0,0,0,0|2,0,0]=4 17888 B12R0.248 CNC(=O)CCOCCCCSC 34a_100011217163_100012179268 [0,2,0,0,0,0|2,0,0]=4 17889 B12R0.248 CNC(=O)CCOCCCCSC 7a_100011217163_100000737683 [0,2,0,0,0,0|2,0,0]=4 17890 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000139335_100000737683 [0,2,0,0,0,0|1,0,1]=4 17891 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000737683_100000139335 [0,2,0,0,0,0|1,0,1]=4 17892 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000729378_100000737683 [0,2,0,0,0,0|2,0,0]=4 17893 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000737683_100000729378 [0,2,0,0,0,0|2,0,0]=4 17894 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000737683_100000746330 [0,2,0,0,0,0|2,0,0]=4 17895 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000746330_100000737683 [0,2,0,0,0,0|2,0,0]=4 17896 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000730899_100000737683 [0,2,0,0,0,0|2,0,0]=4 17897 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000737683_100000730899 [0,2,0,0,0,0|2,0,0]=4 17898 B12R0.248 CNC(=O)CNCCCCCC=O 2230a_100000693194_100000139337 [0,2,0,0,0,0|1,0,1]=4 17899 B12R0.248 CNC(=O)CNCCCCCCF 2230a_100000693194_100015922095 [0,2,0,0,0,0|2,0,0]=4 17900 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [0,2,0,0,0,0|2,0,0]=4 17901 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [0,2,0,0,0,0|2,0,0]=4 17902 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [0,2,0,0,0,0|2,0,0]=4 17903 B12R0.248 CNC(=O)CNCCCCCOC 2230a_100000747528_100000183359 [0,2,0,0,0,0|2,0,0]=4 17904 B12R0.248 CNC(=O)CNCCCCCOC 34a_100000747528_100000183359 [0,2,0,0,0,0|2,0,0]=4 17905 B12R0.248 CNC(=O)COCCCCCCBr 34a_100011215345_100000183359 [0,2,0,0,0,0|2,0,0]=4 17906 B12R0.248 CNC(=O)COCCCCCCBr 7a_100011215345_100000183359 [0,2,0,0,0,0|2,0,0]=4 17907 B12R0.248 CNC(=O)COCCCCCCCl 34a_100000766143_100000183359 [0,2,0,0,0,0|2,0,0]=4 17908 B12R0.248 CNC(=O)COCCCCCCCl 7a_100000766143_100000183359 [0,2,0,0,0,0|2,0,0]=4 17909 B12R0.248 CNC(=O)COCCCCCCF 34a_100000732779_100000183359 [0,2,0,0,0,0|2,0,0]=4 17910 B12R0.248 CNC(=O)COCCCCCCF 34a_100000750040_100015922095 [0,2,0,0,0,0|2,0,0]=4 17911 B12R0.248 CNC(=O)COCCCCCCF 7a_100000732779_100000183359 [0,2,0,0,0,0|2,0,0]=4 17912 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [0,2,0,0,0,0|2,0,0]=4 17913 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [0,2,0,0,0,0|2,0,0]=4 17914 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000139337_100000183359 [0,2,0,0,0,0|1,0,1]=4 17915 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000183359_100000139337 [0,2,0,0,0,0|1,0,1]=4 17916 B12R0.248 CNC(=O)CSCCCCCCF 62a_100000183359_100015922095 [0,2,0,0,0,0|2,0,0]=4 17917 B12R0.248 CNC(=O)CSCCCCCCF 62a_100015922095_100000183359 [0,2,0,0,0,0|2,0,0]=4 17918 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [0,2,0,0,0,0|2,0,0]=4 17919 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [0,2,0,0,0,0|2,0,0]=4 17920 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,2,0,0,0,0|2,0,0]=4 17921 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,2,0,0,0,0|2,0,0]=4 17922 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,2,0,0,0,0|2,0,0]=4 17923 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,2,0,0,0,0|2,0,0]=4 17924 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,2,0,0,0,0|2,0,0]=4 17925 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,2,0,0,0,0|2,0,0]=4 17926 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,2,0,0,0,0|1,0,0]=3 17927 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,2,0,0,0,0|1,0,0]=3 17928 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,2,0,0,0,0|1,0,0]=3 17929 B12R0.248 CNCCCCCOCC(=O)NC 34a_100000722520_100000183359 [0,2,0,0,0,0|2,0,0]=4 17930 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,2,0,0,0,0|2,0,0]=4 17931 B12R0.248 CNCCCOCCCC(=O)NC 34a_100000213112_100000741757 [0,2,0,0,0,0|2,0,0]=4 17932 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,2,0,0,0,0|2,0,0]=4 17933 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,2,0,0,0,0|1,0,0]=3 17934 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,2,0,0,0,0|1,0,0]=3 17935 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,2,0,0,0,0|1,0,0]=3 17936 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,2,0,0,0,0|1,0,0]=3 17937 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,2,0,0,0,0|1,0,0]=3 17938 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,2,0,0,0,0|1,0,0]=3 17939 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [0,2,0,0,0,0|2,0,0]=4 17940 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [0,2,0,0,0,0|2,0,0]=4 17941 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [0,2,0,0,0,0|2,0,0]=4 17942 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [0,2,0,0,0,0|2,0,0]=4 17943 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [0,2,0,0,0,0|2,0,0]=4 17944 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,2,0,0,0,0|2,0,0]=4 17945 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,2,0,0,0,0|2,0,0]=4 17946 B12R0.248 COC(=O)CCCCCOCC=O 34a_100000074720_200009817547 [0,2,0,0,0,0|1,0,1]=4 17947 B12R0.248 COC(=O)CCCCCOCC=O 7a_100000074720_200015260668 [0,2,0,0,0,0|1,0,1]=4 17948 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [0,2,0,0,0,0|2,0,0]=4 17949 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [0,2,0,0,0,0|2,0,0]=4 17950 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [0,2,0,0,0,0|2,0,0]=4 17951 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,2,0,0,0,0|2,0,0]=4 17952 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,2,0,0,0,0|2,0,0]=4 17953 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,2,0,0,0,0|2,0,0]=4 17954 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [0,2,0,0,0,0|2,0,0]=4 17955 B12R0.248 COC(=O)CCCCCSCC=O 62a_100009816466_200015260668 [0,2,0,0,0,0|1,0,1]=4 17956 B12R0.248 COC(=O)CCCCCSCC=O 62a_200015260668_100009816466 [0,2,0,0,0,0|1,0,1]=4 17957 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [0,2,0,0,0,0|2,0,0]=4 17958 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [0,2,0,0,0,0|2,0,0]=4 17959 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,2,0,0,0,0|2,0,0]=4 17960 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,2,0,0,0,0|2,0,0]=4 17961 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [0,2,0,0,0,0|2,0,0]=4 17962 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [0,2,0,0,0,0|2,0,0]=4 17963 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [0,2,0,0,0,0|2,0,0]=4 17964 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [0,2,0,0,0,0|2,0,0]=4 17965 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [0,2,0,0,0,0|2,0,0]=4 17966 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,2,0,0,0,0|2,0,0]=4 17967 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,2,0,0,0,0|2,0,0]=4 17968 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,2,0,0,0,0|2,0,0]=4 17969 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,2,0,0,0,0|2,0,0]=4 17970 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,2,0,0,0,0|2,0,0]=4 17971 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,2,0,0,0,0|2,0,0]=4 17972 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,2,0,0,0,0|2,0,0]=4 17973 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,2,0,0,0,0|2,0,0]=4 17974 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,2,0,0,0,0|2,0,0]=4 17975 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,2,0,0,0,0|2,0,0]=4 17976 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,2,0,0,0,0|2,0,0]=4 17977 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,2,0,0,0,0|2,0,0]=4 17978 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [0,2,0,0,0,0|2,0,0]=4 17979 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [0,2,0,0,0,0|2,0,0]=4 17980 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,2,0,0,0,0|2,0,0]=4 17981 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,2,0,0,0,0|2,0,0]=4 17982 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [0,2,0,0,0,0|2,0,0]=4 17983 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [0,2,0,0,0,0|2,0,0]=4 17984 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,2,0,0,0,0|2,0,0]=4 17985 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,2,0,0,0,0|2,0,0]=4 17986 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,2,0,0,0,0|2,0,0]=4 17987 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,2,0,0,0,0|2,0,0]=4 17988 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,2,0,0,0,0|2,0,0]=4 17989 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,2,0,0,0,0|2,0,0]=4 17990 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,2,0,0,0,0|2,0,0]=4 17991 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,2,0,0,0,0|2,0,0]=4 17992 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,2,0,0,0,0|2,0,0]=4 17993 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,2,0,0,0,0|2,0,0]=4 17994 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,2,0,0,0,0|2,0,0]=4 17995 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,2,0,0,0,0|2,0,0]=4 17996 B12R0.248 COC(=O)CCCSCCCC=O 62a_100011218270_200011292268 [0,2,0,0,0,0|1,0,1]=4 17997 B12R0.248 COC(=O)CCCSCCCC=O 62a_200011292268_100011218270 [0,2,0,0,0,0|1,0,1]=4 17998 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,2,0,0,0,0|2,0,0]=4 17999 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,2,0,0,0,0|2,0,0]=4 18000 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,2,0,0,0,0|2,0,0]=4 18001 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,2,0,0,0,0|2,0,0]=4 18002 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,2,0,0,0,0|2,0,0]=4 18003 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,2,0,0,0,0|2,0,0]=4 18004 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,2,0,0,0,0|2,0,0]=4 18005 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,2,0,0,0,0|2,0,0]=4 18006 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,2,0,0,0,0|2,0,0]=4 18007 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,2,0,0,0,0|2,0,0]=4 18008 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,2,0,0,0,0|2,0,0]=4 18009 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,2,0,0,0,0|2,0,0]=4 18010 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,2,0,0,0,0|2,0,0]=4 18011 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,2,0,0,0,0|2,0,0]=4 18012 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,2,0,0,0,0|2,0,0]=4 18013 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000139335_100000204255 [0,2,0,0,0,0|1,0,1]=4 18014 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000204255_100000139335 [0,2,0,0,0,0|1,0,1]=4 18015 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,2,0,0,0,0|2,0,0]=4 18016 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,2,0,0,0,0|2,0,0]=4 18017 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,2,0,0,0,0|2,0,0]=4 18018 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,2,0,0,0,0|2,0,0]=4 18019 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,2,0,0,0,0|2,0,0]=4 18020 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,2,0,0,0,0|2,0,0]=4 18021 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,2,0,0,0,0|2,0,0]=4 18022 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,2,0,0,0,0|2,0,0]=4 18023 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,2,0,0,0,0|2,0,0]=4 18024 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,2,0,0,0,0|2,0,0]=4 18025 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,2,0,0,0,0|2,0,0]=4 18026 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,2,0,0,0,0|2,0,0]=4 18027 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,2,0,0,0,0|2,0,0]=4 18028 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000139337_100000747449 [0,2,0,0,0,0|1,0,1]=4 18029 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000747449_100000139337 [0,2,0,0,0,0|1,0,1]=4 18030 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,2,0,0,0,0|2,0,0]=4 18031 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,2,0,0,0,0|2,0,0]=4 18032 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,2,0,0,0,0|2,0,0]=4 18033 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,2,0,0,0,0|2,0,0]=4 18034 B12R0.248 COC(C)CCOCCCCC=O 7a_100000764861_100000139335 [0,2,0,0,0,0|1,0,0]=3 18035 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,2,0,0,0,0|1,0,0]=3 18036 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,2,0,0,0,0|1,0,0]=3 18037 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,2,0,0,0,0|1,0,0]=3 18038 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,2,0,0,0,0|2,0,0]=4 18039 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,2,0,0,0,0|2,0,0]=4 18040 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,2,0,0,0,0|2,0,0]=4 18041 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,2,0,0,0,0|2,0,0]=4 18042 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,2,0,0,0,0|2,0,0]=4 18043 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,2,0,0,0,0|2,0,0]=4 18044 B12R0.248 COCCCOCCCC(=O)NN 34a_100000211488_100000740836 [0,2,0,0,0,0|2,0,0]=4 18045 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,2,0,0,0,0|2,0,0]=4 18046 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,2,0,0,0,0|2,0,0]=4 18047 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,2,0,0,0,0|2,0,0]=4 18048 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,2,0,0,0,0|2,0,0]=4 18049 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,2,0,0,0,0|2,0,0]=4 18050 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,2,0,0,0,0|2,0,0]=4 18051 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,2,0,0,0,0|2,0,0]=4 18052 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,2,0,0,0,0|2,0,0]=4 18053 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,2,0,0,0,0|2,0,0]=4 18054 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [0,2,0,0,0,0|2,0,0]=4 18055 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [0,2,0,0,0,0|2,0,0]=4 18056 B12R0.248 CO[C@H](C)CNCCCCCC=O 2230a_100020591295_100000139337 [0,2,0,0,0,0|1,0,0]=3 18057 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000059175_100000139337 [0,2,0,0,0,0|1,0,0]=3 18058 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000139337_100000059175 [0,2,0,0,0,0|1,0,0]=3 18059 B12R0.248 NNC(=O)CCCOCCCCF 34a_100000211488_100000729493 [0,2,0,0,0,0|2,0,0]=4 18060 B12R0.248 NNC(=O)CCCOCCCCO 34a_100000211488_100011216708 [0,2,0,0,0,0|2,0,0]=4 18061 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,2,0,0,0,0|1,0,0]=3 18062 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,2,0,0,0,0|2,0,0]=4 18063 B12R0.248 O=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000139337 [0,2,0,0,0,0|1,0,0]=3 18064 B12R0.248 O=CCCCCCSCC(O)CO 62a_100000139337_100011219619 [0,2,0,0,0,0|1,0,0]=3 18065 B12R0.248 O=CCCCCCSCC(O)CO 62a_100011219619_100000139337 [0,2,0,0,0,0|1,0,0]=3 18066 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100000139337_100015614560 [0,2,0,0,0,0|1,0,0]=3 18067 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100015614560_100000139337 [0,2,0,0,0,0|1,0,0]=3 18068 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100000139337_100009815848 [0,2,0,0,0,0|1,0,0]=3 18069 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000139337 [0,2,0,0,0,0|1,0,0]=3 18070 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,2,0,0,0,0|1,0,1]=4 18071 B12R0.4 C=C(C)CN(C)CCCCCC=O 2230a_100000225649_100000139337 [0,2,0,0,0,0|1,0,1]=4 18072 B12R0.4 C=C(C)CN(C)CCCCCC=O 269982a_100000225649_100000139337 [0,2,0,0,0,0|1,0,1]=4 18073 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000225649_100000210681 [0,2,0,0,0,0|2,0,0]=4 18074 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000228206_100000748629 [0,2,0,0,0,0|2,0,0]=4 18075 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000225649_100000210681 [0,2,0,0,0,0|2,0,0]=4 18076 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000228206_100000748629 [0,2,0,0,0,0|2,0,0]=4 18077 B12R0.4 C=C(F)CC(=O)CCCCCCC 1458a_100000211969_100009893438 [0,2,0,0,0,0|1,0,1]=4 18078 B12R0.4 C=C(F)CN(C)CCCCCCC 2230a_100000228206_100009893438 [0,2,0,0,0,0|2,0,0]=4 18079 B12R0.4 C=C(F)CN(C)CCCCCCC 269982a_100000228206_100009893438 [0,2,0,0,0,0|2,0,0]=4 18080 B12R0.4 C=CCCCCCC(=O)CC(C)C 1458a_100000210554_100000700193 [0,2,0,0,0,0|1,0,1]=4 18081 B12R0.4 C=CCCCCCC(=O)CC(C)C 1458a_100011934241_100000210624 [0,2,0,0,0,0|1,0,1]=4 18082 B12R0.4 C=CCCCCCC(=O)CC(C)O 1458a_100011934241_100011218427 [0,2,0,0,0,0|1,0,1]=4 18083 B12R0.4 C=CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000700193 [0,2,0,0,0,0|1,0,1]=4 18084 B12R0.4 C=CCCCCCN(C)CC(C)C 2230a_100000747067_100000700193 [0,2,0,0,0,0|2,0,0]=4 18085 B12R0.4 C=CCCCCCN(C)CC(C)C 269982a_100000747067_100000700193 [0,2,0,0,0,0|2,0,0]=4 18086 B12R0.4 C=CCCCCCN(C)CC(C)O 2230a_100000227577_100000700193 [0,2,0,0,0,0|2,0,0]=4 18087 B12R0.4 C=CCCCCCN(C)CC(C)O 269982a_100000227577_100000700193 [0,2,0,0,0,0|2,0,0]=4 18088 B12R0.4 C=CCCCCNC(C)CC(C)C 2230a_100000692259_100011215482 [0,2,0,0,0,0|2,0,0]=4 18089 B12R0.4 C=CCCCCNC(C)CC(C)C 2230a_100000703577_100000731052 [0,2,0,0,0,0|2,0,0]=4 18090 B12R0.4 C=CCCCCNC(C)CC(C)C 34a_100000703577_100000731052 [0,2,0,0,0,0|2,0,0]=4 18091 B12R0.4 C=CCCCCOC(C)CC(C)C 34a_100000211805_100011215482 [0,2,0,0,0,0|2,0,0]=4 18092 B12R0.4 C=CCCCCOC(C)CC(C)C 34a_100000766645_100000731052 [0,2,0,0,0,0|2,0,0]=4 18093 B12R0.4 C=CCCCCOC(C)CC(C)C 7a_100000211805_100011215482 [0,2,0,0,0,0|2,0,0]=4 18094 B12R0.4 C=CCCCCOC(C)CC(C)C 7a_100000766645_100000731052 [0,2,0,0,0,0|2,0,0]=4 18095 B12R0.4 C=CCCCCSC(C)CC(C)C 62a_100000731052_100011215482 [0,2,0,0,0,0|2,0,0]=4 18096 B12R0.4 C=CCCCCSC(C)CC(C)C 62a_100011215482_100000731052 [0,2,0,0,0,0|2,0,0]=4 18097 B12R0.4 C=CCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000757094 [0,2,0,0,0,0|2,0,0]=4 18098 B12R0.4 C=CCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000754431 [0,2,0,0,0,0|2,0,0]=4 18099 B12R0.4 CC(C)CC(C)NCCCCC=O 2230a_100000692259_100000139335 [0,2,0,0,0,0|1,0,0]=3 18100 B12R0.4 CC(C)CC(C)OCCCCC=O 7a_100000211805_100000139335 [0,2,0,0,0,0|1,0,0]=3 18101 B12R0.4 CC(C)CC(C)SCCCCC=O 62a_100000139335_100000731052 [0,2,0,0,0,0|1,0,0]=3 18102 B12R0.4 CC(C)CC(C)SCCCCC=O 62a_100000731052_100000139335 [0,2,0,0,0,0|1,0,0]=3 18103 B12R0.4 CC(C)CN(C)CCCCCC=O 2230a_100000747067_100000139337 [0,2,0,0,0,0|1,0,0]=3 18104 B12R0.4 CC(C)CN(C)CCCCCC=O 269982a_100000747067_100000139337 [0,2,0,0,0,0|1,0,0]=3 18105 B12R0.4 CC(CN(C)C)SCCCCC=O 62a_100000139335_100020606517 [0,2,0,0,0,0|2,0,0]=4 18106 B12R0.4 CC(CN(C)C)SCCCCC=O 62a_100020606517_100000139335 [0,2,0,0,0,0|2,0,0]=4 18107 B12R0.4 CC(CSCCCC=O)CN(C)C 62a_100015348159_200011292268 [0,2,0,0,0,0|2,0,0]=4 18108 B12R0.4 CC(CSCCCC=O)CN(C)C 62a_200011292268_100015348159 [0,2,0,0,0,0|2,0,0]=4 18109 B12R0.4 CC(O)CN(C)CCCCCC=O 2230a_100000227577_100000139337 [0,2,0,0,0,0|1,0,0]=3 18110 B12R0.4 CC(O)CN(C)CCCCCC=O 269982a_100000227577_100000139337 [0,2,0,0,0,0|1,0,0]=3 18111 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [0,2,0,0,0,0|0,0,1]=3 18112 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [0,2,0,0,0,0|0,0,1]=3 18113 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [0,2,0,0,0,0|0,0,1]=3 18114 B12R0.4 CCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000211969_100000761209 [0,2,0,0,0,0|1,0,1]=4 18115 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,2,0,0,0,0|0,0,0]=2 18116 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,2,0,0,0,0|0,0,0]=2 18117 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000228206_100000747473 [0,2,0,0,0,0|1,0,0]=3 18118 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210681 [0,2,0,0,0,0|1,0,0]=3 18119 B12R0.4 CCCCCCCN(C)CC(=O)N 269982a_100000228206_100000187820 [0,2,0,0,0,0|1,0,0]=3 18120 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [0,2,0,0,0,0|1,0,0]=3 18121 B12R0.4 CCCCCCCN(C)CC(=O)[O-] 269982a_100000228206_100020667443 [0,2,0,0,0,0|1,0,0]=3 18122 B12R0.4 CCCCCCCN(C)C[N+](=O)[O-] 269982a_100000228206_100000761209 [0,2,0,0,0,0|2,0,0]=4 18123 B12R0.4 CCCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230325 [0,2,0,0,0,0|1,0,1]=4 18124 B12R0.4 CCCCCCNC(=O)CC(=O)N 240690a_100000210581_100134613110 [0,2,0,0,0,0|1,0,1]=4 18125 B12R0.4 CCCCCCNC(=O)CC(=O)N 527a_100000210581_100134613110 [0,2,0,0,0,0|1,0,1]=4 18126 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100000210314_100009818208 [0,2,0,0,0,0|2,0,0]=4 18127 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100009818208_100000210757 [0,2,0,0,0,0|2,0,0]=4 18128 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,2,0,0,0,0|1,0,0]=3 18129 B12R0.4 CCCCOCCC(=O)CC(=O)N 1458a_100134613110_100000743108 [0,2,0,0,0,0|1,0,1]=4 18130 B12R0.4 CCCCOCCN(C)CC(=O)N 2230a_100000739694_100000743108 [0,2,0,0,0,0|2,0,0]=4 18131 B12R0.4 CCCCOCCN(C)CC(=O)O 269956a_100000746989_100000743108 [0,2,0,0,0,0|2,0,0]=4 18132 B12R0.4 CCOCCNCC(O)CC(=O)O 269956a_100011218706_100000210147 [0,2,0,0,0,0|2,0,0]=4 18133 B12R0.4 CCSCCNCC(O)CC(=O)O 269956a_100011218706_100000757381 [0,2,0,0,0,0|2,0,0]=4 18134 B12R0.4 CN(CCCCCCF)CC(=O)N 2230a_100000739694_100015922095 [0,2,0,0,0,0|2,0,0]=4 18135 B12R0.4 CN(CCCCCCF)CC(=O)O 269956a_100000746989_100015922095 [0,2,0,0,0,0|2,0,0]=4 18136 B12R0.4 CN(CCCCCCO)CC(=O)N 2230a_100000739694_100000766143 [0,2,0,0,0,0|2,0,0]=4 18137 B12R0.4 CN(CCCCCCO)CC(=O)O 269956a_100000746989_100000766143 [0,2,0,0,0,0|2,0,0]=4 18138 B12R0.4 COCCCCCC(=O)CC(=O)N 1458a_100011935119_100000187820 [0,2,0,0,0,0|1,0,1]=4 18139 B12R0.4 COCCCCCC(=O)CC(=O)[O-] 1458a_100011935119_100020667443 [0,2,0,0,0,0|1,0,1]=4 18140 B12R0.4 COCCCNCC(O)CC(=O)O 269956a_100011218706_100000740836 [0,2,0,0,0,0|2,0,0]=4 18141 B12R0.4 NC(=O)CC(=O)CCCCCCF 1458a_100134613110_100015922095 [0,2,0,0,0,0|1,0,1]=4 18142 B12R0.4 NC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000187820 [0,2,0,0,0,0|1,0,1]=4 18143 B12R0.4 NC(=O)CC(=O)CCCCCCO 1458a_100134613110_100000766143 [0,2,0,0,0,0|1,0,1]=4 18144 B12R0.4 O=C(O)CC(O)CNCCCCF 269956a_100011218706_100000729493 [0,2,0,0,0,0|2,0,0]=4 18145 B12R0.4 O=C(O)CC(O)CNCCCCO 269956a_100011218706_100000210776 [0,2,0,0,0,0|2,0,0]=4 18146 B12R0.4 O=C([O-])CC(=O)CCCCCCO 1458a_100011996774_100020667443 [0,2,0,0,0,0|1,0,1]=4 18147 B12R0.49 C=CC(=O)C(C)CCCCCCC 1458a_100000185746_200011218727 [0,2,0,0,0,0|1,0,1]=4 18148 B12R0.49 C=CC(C)C(=O)CCCCCCC 1458a_100011216780_100000210614 [0,2,0,0,0,0|1,0,1]=4 18149 B12R0.49 C=CC(C)N(C)CCCCCCC 269982a_100000228206_100011215867 [0,2,0,0,0,0|2,0,0]=4 18150 B12R0.49 C=CCCCCCC(=O)C(C)CC 1458a_100011192722_100000700193 [0,2,0,0,0,0|1,0,1]=4 18151 B12R0.49 C=CCCCCCC(=O)C(C)CC 1458a_100011934241_100000758301 [0,2,0,0,0,0|1,0,1]=4 18152 B12R0.49 C=CCCCCCC(=O)C(O)CC 1458a_100011196387_100000700193 [0,2,0,0,0,0|1,0,1]=4 18153 B12R0.49 C=CCCCCCN(C)C(C)CC 2230a_100000741768_100000700193 [0,2,0,0,0,0|2,0,0]=4 18154 B12R0.49 C=CCCCCCN(C)C(C)CC 269982a_100000741768_100000700193 [0,2,0,0,0,0|2,0,0]=4 18155 B12R0.49 C=CCCCCNC(C)C(C)CC 269862a_100000703577_100000210599 [0,2,0,0,0,0|2,0,0]=4 18156 B12R0.49 C=CCCCCNC(C)C(C)CC 270004a_100000703577_100000210599 [0,2,0,0,0,0|2,0,0]=4 18157 B12R0.49 C=CCCCCOC(C)C(C)CC 7a_100011215189_100011215482 [0,2,0,0,0,0|2,0,0]=4 18158 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCCCC 34a_100015455354_100000210314 [0,2,0,0,0,0|2,0,0]=4 18159 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCCCC 7a_100015455354_100000210314 [0,2,0,0,0,0|2,0,0]=4 18160 B12R0.49 CC(CO)N(C)CCCCCC=O 2230a_100000693034_100000139337 [0,2,0,0,0,0|2,0,0]=4 18161 B12R0.49 CC(CO)N(C)CCCCCC=O 269982a_100000693034_100000139337 [0,2,0,0,0,0|2,0,0]=4 18162 B12R0.49 CCC(=O)C(C)SCCCCC=O 62a_100000139335_100000742827 [0,2,0,0,0,0|1,0,1]=4 18163 B12R0.49 CCC(=O)C(C)SCCCCC=O 62a_100000742827_100000139335 [0,2,0,0,0,0|1,0,1]=4 18164 B12R0.49 CCC(C)C(C)OCCCCC=O 7a_100011215189_100000139335 [0,2,0,0,0,0|1,0,0]=3 18165 B12R0.49 CCC(C)N(C)CCCCCC=O 2230a_100000741768_100000139337 [0,2,0,0,0,0|1,0,0]=3 18166 B12R0.49 CCC(C)N(C)CCCCCC=O 269982a_100000741768_100000139337 [0,2,0,0,0,0|1,0,0]=3 18167 B12R0.49 CCN(C)C(C)COCCCC=O 7a_100000732741_200011292268 [0,2,0,0,0,0|2,0,0]=4 18168 B12R0.101 C=CCC(=O)CCC(C)CCCC 1458a_100000033779_100000210623 [0,2,0,0,0,0|1,0,1]=4 18169 B12R0.101 C=CCC(C)COC(C)CCCC 34a_100009832082_200011215066 [0,2,0,0,0,0|2,0,0]=4 18170 B12R0.101 C=CCC(C)COC(C)CCCC 7a_100009832082_200011215066 [0,2,0,0,0,0|2,0,0]=4 18171 B12R0.101 C=CCCC(C)OCC(C)CCC 34a_100000765329_100011216630 [0,2,0,0,0,0|2,0,0]=4 18172 B12R0.101 C=CCCC(C)OCC(C)CCC 7a_100000765329_100011216630 [0,2,0,0,0,0|2,0,0]=4 18173 B12R0.101 C=CCNC(C)CCC(C)CCC 270004a_100020586998_200011216527 [0,2,0,0,0,0|2,0,0]=4 18174 B12R0.101 C=CC[C@@H](N)COC(C)CCCC 34a_100020615467_200011215066 [0,2,0,0,0,0|2,0,0]=4 18175 B12R0.114 C=CCC(=O)C(C)CCCCCC 1458a_100000210193_100011215978 [0,2,0,0,0,0|1,0,1]=4 18176 B12R0.114 C=CCC(=O)C(O)CCCCCC 1458a_100011215828_100000210623 [0,2,0,0,0,0|1,0,1]=4 18177 B12R0.114 C=CCC(C)C(=O)CCCCCC 1458a_100011216819_100000210757 [0,2,0,0,0,0|1,0,1]=4 18178 B12R0.114 C=CCCCCC(=O)C(C)CCC 1458a_100000210906_100011215482 [0,2,0,0,0,0|1,0,1]=4 18179 B12R0.114 C=CCCCCC(=O)C(C)CCC 1458a_100011215552_100000766640 [0,2,0,0,0,0|1,0,1]=4 18180 B12R0.114 C=CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100011215482 [0,2,0,0,0,0|1,0,1]=4 18181 B12R0.114 C=CCCCCN(C)C(C)CCC 2230a_100012000471_100000766640 [0,2,0,0,0,0|2,0,0]=4 18182 B12R0.114 C=CCCCCN(C)C(C)CCC 269982a_100012000471_100000766640 [0,2,0,0,0,0|2,0,0]=4 18183 B12R0.114 C=CCCCCN(C)C(C)CCC 270004a_100012000471_100000211909 [0,2,0,0,0,0|2,0,0]=4 18184 B12R0.114 C=CCCCNC(C)C(C)CCC 270004a_100000700776_100011216282 [0,2,0,0,0,0|2,0,0]=4 18185 B12R0.114 C=CCCCOC(C)C(C)CCC 34a_100000708338_100000757094 [0,2,0,0,0,0|2,0,0]=4 18186 B12R0.114 C=CCCCOC(C)C(C)CCC 7a_100000708338_100000757094 [0,2,0,0,0,0|2,0,0]=4 18187 B12R0.114 C=CCN(C)C(C)CCCCCC 2230a_100000225617_100011215978 [0,2,0,0,0,0|2,0,0]=4 18188 B12R0.114 C=CCN(C)C(C)CCCCCC 269982a_100000225617_100011215978 [0,2,0,0,0,0|2,0,0]=4 18189 B12R0.114 C=CCN(C)C(C)CCCCCC 270004a_100000225617_100000210826 [0,2,0,0,0,0|2,0,0]=4 18190 B12R0.114 CC(CCO)N(C)CCCCC=O 2230a_100000731037_100000139335 [0,2,0,0,0,0|2,0,0]=4 18191 B12R0.114 CC(CCO)N(C)CCCCC=O 269982a_100000731037_100000139335 [0,2,0,0,0,0|2,0,0]=4 18192 B12R0.114 CCCC(C)C(C)OCCCC=O 7a_100000708338_200011292268 [0,2,0,0,0,0|1,0,0]=3 18193 B12R0.121 C#CC(CCC)OCCCCC=C 34a_200011217317_100011215482 [0,2,0,0,0,0|2,0,0]=4 18194 B12R0.121 C#CC(CCC)OCCCCC=C 7a_200011217317_100011215482 [0,2,0,0,0,0|2,0,0]=4 18195 B12R0.121 C#CC(CCC)OCCCCC=O 7a_200011217317_100000139335 [0,2,0,0,0,0|1,0,0]=3 18196 B12R0.121 C=CC(CCC)OCCCCC=O 7a_100011216692_100000139335 [0,2,0,0,0,0|1,0,0]=3 18197 B12R0.121 C=CCC(C=C)OCCCCCC 34a_100000038011_100000210314 [0,2,0,0,0,0|2,0,0]=4 18198 B12R0.121 C=CCC(C=C)OCCCCCC 7a_100000038011_100000210314 [0,2,0,0,0,0|2,0,0]=4 18199 B12R0.121 C=CCCCCCN(CC)CCC 2230a_100000226822_100000700193 [0,2,0,0,0,0|2,0,0]=4 18200 B12R0.121 C=CCCCCCN(CC)CCC 269982a_100000226822_100000700193 [0,2,0,0,0,0|2,0,0]=4 18201 B12R0.121 C=CCCCCNC(CC)CCC 2230a_100000747048_100011215482 [0,2,0,0,0,0|2,0,0]=4 18202 B12R0.121 C=CCCCCNC(CC)CCC 270004a_100000703577_100000687865 [0,2,0,0,0,0|2,0,0]=4 18203 B12R0.121 C=CCCCCN[C@H](CO)CCC 2230a_100000732646_100011215482 [0,2,0,0,0,0|2,0,0]=4 18204 B12R0.121 C=CCCCCN[C@H](CO)CCC 34a_100000732646_100011215482 [0,2,0,0,0,0|2,0,0]=4 18205 B12R0.121 C=CCCCCOC(C#N)CCC 34a_100000686963_100011215482 [0,2,0,0,0,0|2,0,0]=4 18206 B12R0.121 C=CCCCCOC(C#N)CCC 7a_100000686963_100011215482 [0,2,0,0,0,0|2,0,0]=4 18207 B12R0.121 C=CCCCCOC(C=C)CCC 34a_100011216692_100011215482 [0,2,0,0,0,0|2,0,0]=4 18208 B12R0.121 C=CCCCCOC(C=C)CCC 7a_100011216692_100011215482 [0,2,0,0,0,0|2,0,0]=4 18209 B12R0.121 C=CCCCCOC(CC)CCC 34a_100000687864_100011215482 [0,2,0,0,0,0|2,0,0]=4 18210 B12R0.121 C=CCCCCOC(CC)CCC 7a_100000687864_100011215482 [0,2,0,0,0,0|2,0,0]=4 18211 B12R0.121 C=CCCCCOC(CC)CCC 7a_100000766645_100011219200 [0,2,0,0,0,0|2,0,0]=4 18212 B12R0.121 C=CCCCCSC(CC)CCC 62a_100011215482_100011219200 [0,2,0,0,0,0|2,0,0]=4 18213 B12R0.121 C=CCCCCSC(CC)CCC 62a_100011219200_100011215482 [0,2,0,0,0,0|2,0,0]=4 18214 B12R0.121 C=CCCOCCC(CCC)SC 34a_100000032865_100000754431 [0,2,0,0,0,0|2,0,0]=4 18215 B12R0.121 C=CCCOCCC(CCC)SC 7a_100000032865_100000754431 [0,2,0,0,0,0|2,0,0]=4 18216 B12R0.121 C=CCN(CC)CCCCCCC 2230a_100000228213_100000210623 [0,2,0,0,0,0|2,0,0]=4 18217 B12R0.121 C=CCN(CC)CCCCCCC 269982a_100000228213_100000210623 [0,2,0,0,0,0|2,0,0]=4 18218 B12R0.121 C=CC[C@H](CO)NCCCCCC 2230a_100020615467_100000210314 [0,2,0,0,0,0|2,0,0]=4 18219 B12R0.121 CCC(COC)NCCCCC=O 2230a_100000757820_100000139335 [0,2,0,0,0,0|2,0,0]=4 18220 B12R0.121 CCC(COC)OCCCCC=O 7a_200011214946_100000139335 [0,2,0,0,0,0|2,0,0]=4 18221 B12R0.121 CCCC(C#N)OCCCCC=O 7a_100000686963_100000139335 [0,2,0,0,0,0|1,0,0]=3 18222 B12R0.121 CCCC(CC)NCCCCC=O 2230a_100000747048_100000139335 [0,2,0,0,0,0|1,0,0]=3 18223 B12R0.121 CCCC(CC)OCCCCC=O 7a_100000687864_100000139335 [0,2,0,0,0,0|1,0,0]=3 18224 B12R0.121 CCCC(CC)SCCCCC=O 62a_100000139335_100011219200 [0,2,0,0,0,0|1,0,0]=3 18225 B12R0.121 CCCC(CC)SCCCCC=O 62a_100011219200_100000139335 [0,2,0,0,0,0|1,0,0]=3 18226 B12R0.121 CCCCCCCC(CCC)NC 270004a_106832991635_200011216337 [0,2,0,0,0,0|1,0,1]=4 18227 B12R0.121 CCCCCCCN(CC)CC=O 2230a_100000228213_200015260668 [0,2,0,0,0,0|1,0,0]=3 18228 B12R0.121 CCCCCCCN(CC)CC=O 269982a_100000228213_200015260668 [0,2,0,0,0,0|1,0,0]=3 18229 B12R0.121 CCCN(CC)CCCCCC=O 2230a_100000226822_100000139337 [0,2,0,0,0,0|1,0,0]=3 18230 B12R0.121 CCCN(CC)CCCCCC=O 269982a_100000226822_100000139337 [0,2,0,0,0,0|1,0,0]=3 18231 B12R0.121 CCC[C@@H](CO)NCCCCC=O 2230a_100000732646_100000139335 [0,2,0,0,0,0|1,0,0]=3 18232 B12R0.121 CCN(CCO)CCCCCC=O 2230a_100000210973_100000139337 [0,2,0,0,0,0|2,0,0]=4 18233 B12R0.121 CCN(CCO)CCCCCC=O 269982a_100000210973_100000139337 [0,2,0,0,0,0|2,0,0]=4 18234 B12R0.121 CCOC(CC)CNCCCC=O 2230a_100015183923_200011292268 [0,2,0,0,0,0|2,0,0]=4 18235 B12R0.121 COCC(CO)NCCCCC=O 2230a_100000724102_100000139335 [0,2,0,0,0,0|2,0,0]=4 18236 B12R0.239 C=CCCCC(=O)CC(C)CCC 1458a_100000748435_100000757094 [0,2,0,0,0,0|1,0,1]=4 18237 B12R0.239 C=CCCCC(=O)CC(C)CCC 1458a_100000766728_100011216630 [0,2,0,0,0,0|1,0,1]=4 18238 B12R0.239 C=CC[C@@H](C)OC(C)CCCCC 34a_100000731007_200011218191 [0,2,0,0,0,0|2,0,0]=4 18239 B12R0.239 C=CC[C@@H](C)OC(C)CCCCC 7a_100000731007_200011218191 [0,2,0,0,0,0|2,0,0]=4 18240 B12R0.239 COCC(O)CN(C)CCCC=O 2230a_100000739405_200011292268 [0,2,0,0,0,0|2,0,0]=4 18241 B12R0.239 COCC(O)CN(C)CCCC=O 269982a_100000739405_200011292268 [0,2,0,0,0,0|2,0,0]=4 18242 B12R0.276 C=CC(O)COCCC(C)CCC 34a_100011217855_100000730141 [0,2,0,0,0,0|2,0,0]=4 18243 B12R0.276 C=CC(O)COCCC(C)CCC 7a_100011217855_100000730141 [0,2,0,0,0,0|2,0,0]=4 18244 B12R0.276 C=CC(O)COCC[C@@H](N)CCC 34a_100015193777_100000730141 [0,2,0,0,0,0|2,0,0]=4 18245 B12R0.277 C=C(C)CCOCCC(C)CCC 34a_100011217855_100000730704 [0,2,0,0,0,0|2,0,0]=4 18246 B12R0.277 C=C(C)CCOCCC(C)CCC 7a_100011217855_100000730704 [0,2,0,0,0,0|2,0,0]=4 18247 B12R0.277 C=C(C)CCOCC[C@@H](N)CCC 34a_100015193777_100000730704 [0,2,0,0,0,0|2,0,0]=4 18248 B12R0.277 C=C(C)COCCCC(C)CCC 34a_100011713154_100000748629 [0,2,0,0,0,0|2,0,0]=4 18249 B12R0.277 C=C(C)COCCCC(C)CCC 7a_100011713154_100000748629 [0,2,0,0,0,0|2,0,0]=4 18250 B12R0.277 C=C(F)COCCCC(C)CCC 34a_100011713154_100009893438 [0,2,0,0,0,0|2,0,0]=4 18251 B12R0.277 C=C(F)COCCCC(C)CCC 7a_100011713154_100000042424 [0,2,0,0,0,0|2,0,0]=4 18252 B12R0.277 C=CCC(=O)CCCCCC(C)C 1458a_100000210193_100000210682 [0,2,0,0,0,0|1,0,1]=4 18253 B12R0.277 C=CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210623 [0,2,0,0,0,0|1,0,1]=4 18254 B12R0.277 C=CCC(C)COCCCC(C)C 34a_100009832082_100011214892 [0,2,0,0,0,0|2,0,0]=4 18255 B12R0.277 C=CCC(C)COCCCC(C)C 7a_100009832082_100011214892 [0,2,0,0,0,0|2,0,0]=4 18256 B12R0.277 C=CCC(C)COCCCC(C)O 34a_100009832082_200000718107 [0,2,0,0,0,0|2,0,0]=4 18257 B12R0.277 C=CCC(C)COCCCC(C)O 7a_100009832082_200000718107 [0,2,0,0,0,0|2,0,0]=4 18258 B12R0.277 C=CCN(C)CCCCCC(C)C 2230a_100000225617_100000210682 [0,2,0,0,0,0|2,0,0]=4 18259 B12R0.277 C=CCN(C)CCCCCC(C)C 269982a_100000225617_100000210682 [0,2,0,0,0,0|2,0,0]=4 18260 B12R0.277 C=CC[C@@H](C)OCCCCC(C)C 34a_100000731007_100011216152 [0,2,0,0,0,0|2,0,0]=4 18261 B12R0.277 C=CC[C@@H](C)OCCCCC(C)C 7a_100000731007_100011216152 [0,2,0,0,0,0|2,0,0]=4 18262 B12R0.277 C=CC[C@@H](N)COCCCC(C)C 34a_100020615467_100011214892 [0,2,0,0,0,0|2,0,0]=4 18263 B12R0.277 C=CC[C@@H](N)COCCCC(C)O 34a_100020615467_200000718107 [0,2,0,0,0,0|2,0,0]=4 18264 B12R0.277 CC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100009817362 [0,2,0,0,0,0|2,0,0]=4 18265 B12R0.277 CC(=O)CCCCOC(C)CCBr 34a_100012276601_100009817362 [0,2,0,0,0,0|2,0,0]=4 18266 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100000735457_100009893172 [0,2,0,0,0,0|2,0,0]=4 18267 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100009893172_100000735457 [0,2,0,0,0,0|2,0,0]=4 18268 B12R0.277 CC(=O)CCCOCC(C)CCN 34a_106354213184_100000685027 [0,2,0,0,0,0|2,0,0]=4 18269 B12R0.277 CC(CCN)COCCCC(=O)N 34a_106354213184_100102525003 [0,2,0,0,0,0|2,0,0]=4 18270 B12R0.277 CC(CCO)NCCCCC(=O)N 34a_100000696515_100009893172 [0,2,0,0,0,0|2,0,0]=4 18271 B12R0.277 CC(CCO)OCCCCC(=O)N 34a_100012022536_100009893172 [0,2,0,0,0,0|2,0,0]=4 18272 B12R0.277 CC(CCO)OCCCCC(=O)N 7a_100012022536_100009893172 [0,2,0,0,0,0|2,0,0]=4 18273 B12R0.277 CCCC(=O)CCCCCC(=O)N 1458a_100000211992_100009817443 [0,2,0,0,0,0|0,0,1]=3 18274 B12R0.277 CCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210303 [0,2,0,0,0,0|1,0,1]=4 18275 B12R0.277 CCCC(=O)CCCCOC(=O)C 1458a_100000211992_100000033659 [0,2,0,0,0,0|1,0,1]=4 18276 B12R0.277 CCCC(=O)CCCCSC(=O)C 1458a_100000211992_200010402107 [0,2,0,0,0,0|1,0,1]=4 18277 B12R0.277 CCCC(=O)COCCCC(=O)C 7a_100000759063_100000747444 [0,2,0,0,0,0|1,0,1]=4 18278 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100000747444_100011215641 [0,2,0,0,0,0|1,0,1]=4 18279 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100011215641_100000747444 [0,2,0,0,0,0|1,0,1]=4 18280 B12R0.277 CCCC(=O)CSCCCC(=O)N 62a_100000747444_100102525003 [0,2,0,0,0,0|1,0,1]=4 18281 B12R0.277 CCCC(=O)CSCCCC(=O)N 62a_100102525003_100000747444 [0,2,0,0,0,0|1,0,1]=4 18282 B12R0.277 CCCC(=O)NCCCCC(=O)N 11a_100000696515_100000211992 [0,2,0,0,0,0|1,0,1]=4 18283 B12R0.277 CCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000211992 [0,2,0,0,0,0|1,0,1]=4 18284 B12R0.277 CCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000211992 [0,2,0,0,0,0|1,0,1]=4 18285 B12R0.277 CCCC(=O)NCCCCC(=O)N 527a_100000696515_100000211992 [0,2,0,0,0,0|1,0,1]=4 18286 B12R0.277 CCCC(C)CCCOCC(=O)N 34a_100011713154_100000187820 [0,2,0,0,0,0|1,0,0]=3 18287 B12R0.277 CCCC(C)CCCOCC(=O)N 7a_100011713154_100000187820 [0,2,0,0,0,0|1,0,0]=3 18288 B12R0.277 CCCC(C)CCCOCC(=O)[O-] 34a_100011713154_100020667443 [0,2,0,0,0,0|1,0,0]=3 18289 B12R0.277 CCCC(C)CCCOC[N+](=O)[O-] 34a_100011713154_100000761209 [0,2,0,0,0,0|2,0,0]=4 18290 B12R0.277 CCCC(C)CCOCCC(=O)C 7a_100011217855_100000053229 [0,2,0,0,0,0|1,0,0]=3 18291 B12R0.277 CCCC(C)CCOCCC(=O)N 34a_100011217855_100000731001 [0,2,0,0,0,0|1,0,0]=3 18292 B12R0.277 CCCC(C)CCOCCC(=O)N 7a_100011217855_100000744528 [0,2,0,0,0,0|1,0,0]=3 18293 B12R0.277 CCCC(C)CCOCOC(=O)C 34a_100011217855_100009813279 [0,2,0,0,0,0|2,0,0]=4 18294 B12R0.277 CCCC(C)CNCCCC(=O)N 34a_100000739312_100011216630 [0,2,0,0,0,0|1,0,0]=3 18295 B12R0.277 CCCC(C)CNCCCS(=O)C 2230a_200000753449_100011216630 [0,2,0,0,0,0|2,0,0]=4 18296 B12R0.277 CCCC(C)CNCCCS(=O)C 270004a_200000753449_100000243154 [0,2,0,0,0,0|2,0,0]=4 18297 B12R0.277 CCCC(C)CNCCNC(=O)C 2230a_100000209853_100011216630 [0,2,0,0,0,0|2,0,0]=4 18298 B12R0.277 CCCC(C)CNCCNC(=O)N 34a_100020590234_100011216630 [0,2,0,0,0,0|2,0,0]=4 18299 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000688023_100000685027 [0,2,0,0,0,0|1,0,0]=3 18300 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000759063_100011216630 [0,2,0,0,0,0|1,0,0]=3 18301 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000688023_100011215641 [0,2,0,0,0,0|1,0,0]=3 18302 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000759063_100011216630 [0,2,0,0,0,0|1,0,0]=3 18303 B12R0.277 CCCC(C)COCCCC(=O)N 34a_100000688023_100102525003 [0,2,0,0,0,0|1,0,0]=3 18304 B12R0.277 CCCC(C)COCCCC(=O)N 7a_100000688023_100102525003 [0,2,0,0,0,0|1,0,0]=3 18305 B12R0.277 CCCC(C)COCCC[N+](=O)[O-] 34a_200000037920_100011216630 [0,2,0,0,0,0|2,0,0]=4 18306 B12R0.277 CCCC(C)COCCNC(=O)C 34a_100000158858_100011216630 [0,2,0,0,0,0|2,0,0]=4 18307 B12R0.277 CCCC(C)COCCNC(=O)C 7a_100000688023_100000189650 [0,2,0,0,0,0|2,0,0]=4 18308 B12R0.277 CCCC(C)COCCNC(=O)N 34a_100000181757_100011216630 [0,2,0,0,0,0|2,0,0]=4 18309 B12R0.277 CCCC(C)COCCNC(=O)N 7a_100000688023_200000034859 [0,2,0,0,0,0|2,0,0]=4 18310 B12R0.277 CCCC(C)COCCOC(=O)C 34a_100000688023_100009814007 [0,2,0,0,0,0|2,0,0]=4 18311 B12R0.277 CCCC(C)COCCOC(=O)C 7a_100000688023_100009814007 [0,2,0,0,0,0|2,0,0]=4 18312 B12R0.277 CCCC(C)COCCOC(=O)N 34a_100000688023_200011214921 [0,2,0,0,0,0|2,0,0]=4 18313 B12R0.277 CCCC(C)COCCOC(=O)N 7a_100000688023_200011214921 [0,2,0,0,0,0|2,0,0]=4 18314 B12R0.277 CCCC(C)COCCOC(=O)N 7a_100000766696_100011216630 [0,2,0,0,0,0|2,0,0]=4 18315 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011215641_100011216630 [0,2,0,0,0,0|1,0,0]=3 18316 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011216630_100011215641 [0,2,0,0,0,0|1,0,0]=3 18317 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100011216630_100102525003 [0,2,0,0,0,0|1,0,0]=3 18318 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100102525003_100011216630 [0,2,0,0,0,0|1,0,0]=3 18319 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100000189650_100011216630 [0,2,0,0,0,0|2,0,0]=4 18320 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100011216630_100000189650 [0,2,0,0,0,0|2,0,0]=4 18321 B12R0.277 CCCC(C)CSCCNC(=O)N 62a_100011216630_200000034859 [0,2,0,0,0,0|2,0,0]=4 18322 B12R0.277 CCCC(C)CSCCNC(=O)N 62a_200000034859_100011216630 [0,2,0,0,0,0|2,0,0]=4 18323 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100009814007_100011216630 [0,2,0,0,0,0|2,0,0]=4 18324 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100011216630_100009814007 [0,2,0,0,0,0|2,0,0]=4 18325 B12R0.277 CCCC(C)CSCCOC(=O)N 62a_100011216630_200011214921 [0,2,0,0,0,0|2,0,0]=4 18326 B12R0.277 CCCC(C)CSCCOC(=O)N 62a_200011214921_100011216630 [0,2,0,0,0,0|2,0,0]=4 18327 B12R0.277 CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211909 [0,2,0,0,0,0|1,0,0]=3 18328 B12R0.277 CCCC(C)NCCCCC(=O)N 34a_100000696515_100000766640 [0,2,0,0,0,0|1,0,0]=3 18329 B12R0.277 CCCC(C)NCCCNC(=O)C 270004a_100000736810_100000211909 [0,2,0,0,0,0|2,0,0]=4 18330 B12R0.277 CCCC(C)NCCCNC(=O)C 34a_100000736810_100000766640 [0,2,0,0,0,0|2,0,0]=4 18331 B12R0.277 CCCC(C)NCCCSC(=O)C 2230a_100000741246_100000038929 [0,2,0,0,0,0|2,0,0]=4 18332 B12R0.277 CCCC(C)NCCOCC(=O)N 2230a_100000741246_100000076697 [0,2,0,0,0,0|2,0,0]=4 18333 B12R0.277 CCCC(C)NCCOCC(=O)O 269956a_100000700818_100000766640 [0,2,0,0,0,0|2,0,0]=4 18334 B12R0.277 CCCC(C)OCCCCC(=O)C 34a_100000764384_100009817362 [0,2,0,0,0,0|1,0,0]=3 18335 B12R0.277 CCCC(C)OCCCCC(=O)C 7a_100000764384_100000735457 [0,2,0,0,0,0|1,0,0]=3 18336 B12R0.277 CCCC(C)OCCCCC(=O)N 34a_100012022536_100000766640 [0,2,0,0,0,0|1,0,0]=3 18337 B12R0.277 CCCC(C)OCCCCC(=O)N 7a_100012022536_100000766640 [0,2,0,0,0,0|1,0,0]=3 18338 B12R0.277 CCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100000766640 [0,2,0,0,0,0|2,0,0]=4 18339 B12R0.277 CCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100000766640 [0,2,0,0,0,0|2,0,0]=4 18340 B12R0.277 CCCC(C)OCCCNC(=O)C 34a_100000752032_100000766640 [0,2,0,0,0,0|2,0,0]=4 18341 B12R0.277 CCCC(C)OCCCOC(=O)C 34a_100000764384_100000042594 [0,2,0,0,0,0|2,0,0]=4 18342 B12R0.277 CCCC(C)OCCCOC(=O)C 7a_100000764384_100000042594 [0,2,0,0,0,0|2,0,0]=4 18343 B12R0.277 CCCC(C)OCCCSC(=O)C 34a_100000764384_100000038929 [0,2,0,0,0,0|2,0,0]=4 18344 B12R0.277 CCCC(C)OCCCSC(=O)C 7a_100000764384_100000038929 [0,2,0,0,0,0|2,0,0]=4 18345 B12R0.277 CCCC(C)OCCOCC(=O)N 34a_100000764384_100000076697 [0,2,0,0,0,0|2,0,0]=4 18346 B12R0.277 CCCC(C)OCCOCC(=O)N 7a_100000764384_100000076697 [0,2,0,0,0,0|2,0,0]=4 18347 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000735457_100000766640 [0,2,0,0,0,0|1,0,0]=3 18348 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000766640_100000735457 [0,2,0,0,0,0|1,0,0]=3 18349 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000042594_100000766640 [0,2,0,0,0,0|2,0,0]=4 18350 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000766640_100000042594 [0,2,0,0,0,0|2,0,0]=4 18351 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000038929_100000766640 [0,2,0,0,0,0|2,0,0]=4 18352 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000766640_100000038929 [0,2,0,0,0,0|2,0,0]=4 18353 B12R0.277 CCCC(C)SCCOCC(=O)N 62a_100000076697_100000766640 [0,2,0,0,0,0|2,0,0]=4 18354 B12R0.277 CCCC(C)SCCOCC(=O)N 62a_100000766640_100000076697 [0,2,0,0,0,0|2,0,0]=4 18355 B12R0.277 CCCN(C)CCCCCC(=O)N 2230a_100000747261_100009817443 [0,2,0,0,0,0|1,0,0]=3 18356 B12R0.277 CCCN(C)CCCCCC(=O)N 269982a_100000747261_100009817443 [0,2,0,0,0,0|1,0,0]=3 18357 B12R0.277 CCCN(C)CCCCOC(=O)C 269982a_100000747261_100000033659 [0,2,0,0,0,0|2,0,0]=4 18358 B12R0.277 CCCN(C)CCCCSC(=O)C 2230a_100000747261_200010402107 [0,2,0,0,0,0|2,0,0]=4 18359 B12R0.277 CCCN(C)CCCCSC(=O)C 269982a_100000747261_200010402107 [0,2,0,0,0,0|2,0,0]=4 18360 B12R0.277 CCC[C@H](N)CCOCCC(=O)N 34a_100015193777_100000731001 [0,2,0,0,0,0|1,0,0]=3 18361 B12R0.277 CCC[C@H](N)CCOCOC(=O)C 34a_100015193777_100009813279 [0,2,0,0,0,0|2,0,0]=4 18362 B12R0.277 CCC[C@H](N)COCCCC(=O)C 34a_100000732646_100000685027 [0,2,0,0,0,0|1,0,0]=3 18363 B12R0.277 CCC[C@H](N)COCCCC(=O)N 34a_100000732646_100102525003 [0,2,0,0,0,0|1,0,0]=3 18364 B12R0.277 CCC[C@H](N)COCCOC(=O)C 34a_100000732646_100009814007 [0,2,0,0,0,0|2,0,0]=4 18365 B12R0.277 CCC[C@H](N)COCCOC(=O)N 34a_100000732646_200011214921 [0,2,0,0,0,0|2,0,0]=4 18366 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,2,0,0,0,0|1,0,1]=4 18367 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,2,0,0,0,0|1,0,1]=4 18368 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,2,0,0,0,0|1,0,1]=4 18369 B12R0.277 CN(CCO)CCCCCC(=O)N 2230a_100000210263_100009817443 [0,2,0,0,0,0|2,0,0]=4 18370 B12R0.277 CN(CCO)CCCCCC(=O)N 269982a_100000210263_100009817443 [0,2,0,0,0,0|2,0,0]=4 18371 B12R0.277 COCC(=O)CCCCCC(=O)N 1458a_100000210968_100009817443 [0,2,0,0,0,0|1,0,1]=4 18372 B12R0.277 COCC(C)NCCCCC(=O)N 270004a_100000696515_100000749346 [0,2,0,0,0,0|2,0,0]=4 18373 B12R0.277 COCC(C)NCCCCC(=O)N 34a_100000696515_100000765312 [0,2,0,0,0,0|2,0,0]=4 18374 B12R0.277 COCC(C)OCCCCC(=O)N 34a_100012022536_100000765312 [0,2,0,0,0,0|2,0,0]=4 18375 B12R0.277 COCC(C)OCCCCC(=O)N 7a_100012022536_100000765312 [0,2,0,0,0,0|2,0,0]=4 18376 B12R0.277 COCC(C)SCCCCC(=O)C 62a_100000735457_100000765312 [0,2,0,0,0,0|2,0,0]=4 18377 B12R0.277 COCC(C)SCCCCC(=O)C 62a_100000765312_100000735457 [0,2,0,0,0,0|2,0,0]=4 18378 B12R0.277 COCC(N)COCCCC(=O)C 34a_100000724102_100000685027 [0,2,0,0,0,0|2,0,0]=4 18379 B12R0.277 COCC(N)COCCCC(=O)N 34a_100000724102_100102525003 [0,2,0,0,0,0|2,0,0]=4 18380 B12R0.277 COCC(O)CNCCCC(=O)C 34a_100000756049_100000685027 [0,2,0,0,0,0|2,0,0]=4 18381 B12R0.277 COCC(O)CNCCCC(=O)N 34a_100000739312_100011215053 [0,2,0,0,0,0|2,0,0]=4 18382 B12R0.277 COCC(O)CNCCCC(=O)N 34a_100000756049_100102525003 [0,2,0,0,0,0|2,0,0]=4 18383 B12R0.277 COCC(O)COCCCC(=O)C 34a_100000759063_100011215053 [0,2,0,0,0,0|2,0,0]=4 18384 B12R0.277 COCC(O)COCCCC(=O)C 7a_100000759063_100011215053 [0,2,0,0,0,0|2,0,0]=4 18385 B12R0.277 COCC(O)CSCCCC(=O)C 62a_100011215053_100011215641 [0,2,0,0,0,0|2,0,0]=4 18386 B12R0.277 COCC(O)CSCCCC(=O)C 62a_100011215641_100011215053 [0,2,0,0,0,0|2,0,0]=4 18387 B12R0.277 COCC(O)CSCCCC(=O)N 62a_100011215053_100102525003 [0,2,0,0,0,0|2,0,0]=4 18388 B12R0.277 COCC(O)CSCCCC(=O)N 62a_100102525003_100011215053 [0,2,0,0,0,0|2,0,0]=4 18389 B12R0.277 COC[C@@H](C)OCCCCC(=O)C 34a_100011934205_100009817362 [0,2,0,0,0,0|2,0,0]=4 18390 B12R0.277 CSCC(=O)CCCCCC(=O)N 1458a_100000184570_100009817443 [0,2,0,0,0,0|1,0,1]=4 18391 B12R0.277 CSCC(C)NCCCCC(=O)N 270004a_100000696515_100011216314 [0,2,0,0,0,0|2,0,0]=4 18392 B12R0.277 NC(=O)CCCCCC(=O)CCO 1458a_100011216618_100009817443 [0,2,0,0,0,0|1,0,1]=4 18393 B12R0.285 C=CCC(C)COCC(C)CCC 34a_100009832082_100011216630 [0,2,0,0,0,0|2,0,0]=4 18394 B12R0.285 C=CCC(C)COCC(C)CCC 7a_100009832082_100011216630 [0,2,0,0,0,0|2,0,0]=4 18395 B12R0.285 C=CC[C@@H](N)COCC(C)CCC 34a_100020615467_100011216630 [0,2,0,0,0,0|2,0,0]=4 18396 B12R0.434 C=CCC(C)(C)OCCCCCC 7a_100011995686_100000210314 [0,2,0,0,0,0|2,0,0]=4 18397 B12R0.434 C=CCCCCOC(C)(C)CCC 7a_100000748436_100011215482 [0,2,0,0,0,0|2,0,0]=4 18398 B12R0.434 C=CCCCOCC(C)(C)CCC 7a_100011995695_100000757094 [0,2,0,0,0,0|2,0,0]=4 18399 B12R0.434 CC(C)(CCBr)OCCCCC=O 7a_100000702414_100000139335 [0,2,0,0,0,0|2,0,0]=4 18400 B12R0.434 CCCC(C)(C)COCCCC=O 7a_100011995695_200011292268 [0,2,0,0,0,0|1,0,0]=3 18401 B12R0.434 CCCC(C)(C)OCCCCC=O 7a_100000748436_100000139335 [0,2,0,0,0,0|1,0,0]=3 18402 B12R0.434 CCNC(C)(C)COCCCC=O 7a_100000747347_200011292268 [0,2,0,0,0,0|2,0,0]=4 18403 B12R0.434 COCC(C)(C)CNCCCC=O 2230a_100000734190_200011292268 [0,2,0,0,0,0|2,0,0]=4 18404 B12R0.434 COCC(C)(C)NCCCCC=O 2230a_100000752728_100000139335 [0,2,0,0,0,0|2,0,0]=4 18405 B12R0.434 CSCC(C)(C)NCCCCC=O 2230a_100000759623_100000139335 [0,2,0,0,0,0|2,0,0]=4 18406 B12R0.434 CSCC(C)(C)NCCCCC=O 7a_100000759623_100000139335 [0,2,0,0,0,0|2,0,0]=4 18407 B12R0.57 C#CC(CC)OCCCCCC=C 34a_100000758843_100000700193 [0,2,0,0,0,0|2,0,0]=4 18408 B12R0.57 C#CC(CC)OCCCCCC=C 7a_100000758843_100000700193 [0,2,0,0,0,0|2,0,0]=4 18409 B12R0.57 C#CC(CC)OCCCCCC=O 7a_100000758843_100000139337 [0,2,0,0,0,0|1,0,0]=3 18410 B12R0.57 C=CC(C=C)OCCCCCCC 34a_100000033096_100000210614 [0,2,0,0,0,0|2,0,0]=4 18411 B12R0.57 C=CC(CC)OCCCCCC=O 7a_100000766422_100000139337 [0,2,0,0,0,0|1,0,0]=3 18412 B12R0.57 C=CC(CC)OCCCCCCC 34a_100000766422_100000210614 [0,2,0,0,0,0|2,0,0]=4 18413 B12R0.57 C=CC(CC)OCCCCCCC 7a_100000766422_100000210614 [0,2,0,0,0,0|2,0,0]=4 18414 B12R0.57 C=CCCCCCCN(CC)CC 2230a_100000724800_100011215473 [0,2,0,0,0,0|2,0,0]=4 18415 B12R0.57 C=CCCCCCCN(CC)CC 269956a_100000042499_100011215473 [0,2,0,0,0,0|2,0,0]=4 18416 B12R0.57 C=CCCCCCCN(CC)CC 269982a_100000724800_100011215473 [0,2,0,0,0,0|2,0,0]=4 18417 B12R0.57 C=CCCCCCNC(CC)CC 2230a_100000199018_100000700193 [0,2,0,0,0,0|2,0,0]=4 18418 B12R0.57 C=CCCCCCN[C@@H](CC)CO 2230a_100000709445_100000700193 [0,2,0,0,0,0|2,0,0]=4 18419 B12R0.57 C=CCCCCCOC(C=C)CC 34a_100000766422_100000700193 [0,2,0,0,0,0|2,0,0]=4 18420 B12R0.57 C=CCCCCCOC(C=C)CC 7a_100000766422_100000700193 [0,2,0,0,0,0|2,0,0]=4 18421 B12R0.57 C=CCCCCCOC(CC)CC 7a_100000688536_100000700193 [0,2,0,0,0,0|2,0,0]=4 18422 B12R0.57 C=CCCCCCOC(CC)CC 7a_100011216702_100000210505 [0,2,0,0,0,0|2,0,0]=4 18423 B12R0.57 C=CCCCCCSC(CC)CC 62a_100000210505_100000700193 [0,2,0,0,0,0|2,0,0]=4 18424 B12R0.57 C=CCCCCCSC(CC)CC 62a_100000700193_100000210505 [0,2,0,0,0,0|2,0,0]=4 18425 B12R0.57 C=CCCCCNCC(CC)CC 2230a_100000703577_100011215472 [0,2,0,0,0,0|2,0,0]=4 18426 B12R0.57 C=CCCCCNCC(CC)CC 2230a_100102946423_100011215482 [0,2,0,0,0,0|2,0,0]=4 18427 B12R0.57 C=CCCCCNCC(CC)CC 269862a_100000703577_100000211137 [0,2,0,0,0,0|2,0,0]=4 18428 B12R0.57 C=CCCCCNCC(CC)CC 270004a_100000703577_100000211137 [0,2,0,0,0,0|2,0,0]=4 18429 B12R0.57 C=CCCCCNCC(CC)CC 34a_100000703577_100011215472 [0,2,0,0,0,0|2,0,0]=4 18430 B12R0.57 C=CCCCCOCC(CC)CC 34a_100000766645_100011215472 [0,2,0,0,0,0|2,0,0]=4 18431 B12R0.57 C=CCCCCOCC(CC)CC 7a_100000703878_100011215482 [0,2,0,0,0,0|2,0,0]=4 18432 B12R0.57 C=CCCCCOCC(CC)CC 7a_100000766645_100011215472 [0,2,0,0,0,0|2,0,0]=4 18433 B12R0.57 C=CCCCCOCC(CC)OC 34a_100011934954_100011215482 [0,2,0,0,0,0|2,0,0]=4 18434 B12R0.57 C=CCCCCOCC(CC)OC 7a_100011934954_100011215482 [0,2,0,0,0,0|2,0,0]=4 18435 B12R0.57 C=CCCCCSCC(CC)CC 62a_100011215472_100011215482 [0,2,0,0,0,0|2,0,0]=4 18436 B12R0.57 C=CCCCCSCC(CC)CC 62a_100011215482_100011215472 [0,2,0,0,0,0|2,0,0]=4 18437 B12R0.57 C=C[C@@H](CO)NCCCCCC=O 2230a_100016989147_100000139337 [0,2,0,0,0,0|2,0,0]=4 18438 B12R0.57 C=C[C@@H](CO)NCCCCCCC 2230a_100016989147_100000210681 [0,2,0,0,0,0|2,0,0]=4 18439 B12R0.57 C=C[C@@H](CO)NCCCCCCC 34a_100016989147_100000210614 [0,2,0,0,0,0|2,0,0]=4 18440 B12R0.57 CCC(CC)CNCCCCC=O 2230a_100102946423_100000139335 [0,2,0,0,0,0|1,0,0]=3 18441 B12R0.57 CCC(CC)COCCCCC=O 7a_100000703878_100000139335 [0,2,0,0,0,0|1,0,0]=3 18442 B12R0.57 CCC(CC)CSCCCCC=O 62a_100000139335_100011215472 [0,2,0,0,0,0|1,0,0]=3 18443 B12R0.57 CCC(CC)CSCCCCC=O 62a_100011215472_100000139335 [0,2,0,0,0,0|1,0,0]=3 18444 B12R0.57 CCC(CC)NCCCCCC=O 2230a_100000199018_100000139337 [0,2,0,0,0,0|1,0,0]=3 18445 B12R0.57 CCC(CC)OCCCCCC=O 7a_100000688536_100000139337 [0,2,0,0,0,0|1,0,0]=3 18446 B12R0.57 CCC(CC)SCCCCCC=O 62a_100000139337_100000210505 [0,2,0,0,0,0|1,0,0]=3 18447 B12R0.57 CCC(CC)SCCCCCC=O 62a_100000210505_100000139337 [0,2,0,0,0,0|1,0,0]=3 18448 B12R0.57 CCC(COCCCCC=O)OC 7a_100011934954_100000139335 [0,2,0,0,0,0|1,0,0]=3 18449 B12R0.57 CCCCCCCCC(CC)NC 270004a_106832991635_200011217995 [0,2,0,0,0,0|1,0,1]=4 18450 B12R0.57 CCCCCCCCC(CC)OC 34a_200011216270_200000210301 [0,2,0,0,0,0|1,0,1]=4 18451 B12R0.57 CCCCCCCCC(CC)OC 7a_200011216270_200000210301 [0,2,0,0,0,0|1,0,1]=4 18452 B12R0.57 CCCCCCCCC(CC)O[13CH3] 34a_200011216270_200025704644 [0,2,0,0,0,0|1,0,1]=4 18453 B12R0.57 CCCCCCCCC(CC)O[13CH3] 7a_200011216270_200025704644 [0,2,0,0,0,0|1,0,1]=4 18454 B12R0.57 CCCCCCCNC(C=O)C=O 2230a_100000229938_100000736813 [0,2,0,0,0,0|1,0,0]=3 18455 B12R0.57 CCCCCCCOC(C=O)C=O 34a_100000210272_100000736813 [0,2,0,0,0,0|1,0,0]=3 18456 B12R0.57 CCCCCCCSC(C=O)C=O 62a_100000210614_100000736813 [0,2,0,0,0,0|1,0,0]=3 18457 B12R0.57 CCCCCCCSC(C=O)C=O 62a_100000736813_100000210316 [0,2,0,0,0,0|1,0,0]=3 18458 B12R0.57 CCCCOCCOC(C=O)C=O 34a_100000210238_100000736813 [0,2,0,0,0,0|2,0,0]=4 18459 B12R0.57 CCCCOCCSC(C=O)C=O 62a_100000736813_100000743108 [0,2,0,0,0,0|2,0,0]=4 18460 B12R0.57 CCCCOCCSC(C=O)C=O 62a_100000743108_100000736813 [0,2,0,0,0,0|2,0,0]=4 18461 B12R0.57 CCCCSCCNC(C=O)C=O 2230a_100025743550_100000736813 [0,2,0,0,0,0|2,0,0]=4 18462 B12R0.57 CCCCSCCOC(C=O)C=O 34a_200000230436_100000736813 [0,2,0,0,0,0|2,0,0]=4 18463 B12R0.57 CCCOCCCNC(C=O)C=O 2230a_100011217757_100000736813 [0,2,0,0,0,0|2,0,0]=4 18464 B12R0.57 CCCOCCCNC(C=O)C=O 34a_100011217757_100000736813 [0,2,0,0,0,0|2,0,0]=4 18465 B12R0.57 CCN(CC)CCCCNCC=O 2230a_100000743895_200015260668 [0,2,0,0,0,0|2,0,0]=4 18466 B12R0.57 CCN(CC)CCCCOCC=O 7a_100011305530_200015260668 [0,2,0,0,0,0|2,0,0]=4 18467 B12R0.57 CCN(CC)CCNCCCC=O 2230a_100015382049_200011292268 [0,2,0,0,0,0|2,0,0]=4 18468 B12R0.57 CCN(CC)CCOCCCC=O 7a_100016990331_200011292268 [0,2,0,0,0,0|2,0,0]=4 18469 B12R0.57 CCN(CC)CCSCCCC=O 62a_200011292268_100000700428 [0,2,0,0,0,0|2,0,0]=4 18470 B12R0.57 CCN(CC)COCCCCC=O 7a_200015374951_100000139335 [0,2,0,0,0,0|2,0,0]=4 18471 B12R0.57 CCN(CCCCOCC=O)N=O 34a_200000035056_200009817547 [0,2,0,0,0,0|2,0,0]=4 18472 B12R0.57 CC[C@@H](CO)NCCCCCC=O 2230a_100000709445_100000139337 [0,2,0,0,0,0|1,0,0]=3 18473 B12R0.57 CNCCCCCOC(C=O)C=O 34a_100000722520_100000736813 [0,2,0,0,0,0|2,0,0]=4 18474 B12R0.57 COC(CCSCCCC=O)OC 62a_100000139399_200011292268 [0,2,0,0,0,0|2,0,0]=4 18475 B12R0.57 COC(CCSCCCC=O)OC 62a_200011292268_100000139399 [0,2,0,0,0,0|2,0,0]=4 18476 B12R0.57 COC(CSCCCCC=O)OC 62a_100000139335_100000751394 [0,2,0,0,0,0|2,0,0]=4 18477 B12R0.57 COC(CSCCCCC=O)OC 62a_100000751394_100000139335 [0,2,0,0,0,0|2,0,0]=4 18478 B12R0.57 COCCCCCNC(C=O)C=O 2230a_100000747528_100000736813 [0,2,0,0,0,0|2,0,0]=4 18479 B12R0.57 COCCCCCNC(C=O)C=O 34a_100000747528_100000736813 [0,2,0,0,0,0|2,0,0]=4 18480 B12R0.57 NCCCCCCOC(C=O)C=O 34a_100000686447_100000736813 [0,2,0,0,0,0|2,0,0]=4 18481 B12R0.57 O=CC(C=O)NCCCCCCO 2230a_100000686447_100000736813 [0,2,0,0,0,0|2,0,0]=4 18482 B12R0.57 O=CC(C=O)NCCCCCCO 34a_100000686447_100000736813 [0,2,0,0,0,0|2,0,0]=4 18483 B12R0.57 O=CC(C=O)OCCCCCCBr 34a_100011215345_100000736813 [0,2,0,0,0,0|2,0,0]=4 18484 B12R0.57 O=CC(C=O)OCCCCCCCl 34a_100000766143_100000736813 [0,2,0,0,0,0|2,0,0]=4 18485 B12R0.57 O=CC(C=O)OCCCCCCF 34a_100000732779_100000736813 [0,2,0,0,0,0|2,0,0]=4 18486 B12R0.57 O=CC(C=O)SCCCCCCF 62a_100000736813_100015922095 [0,2,0,0,0,0|2,0,0]=4 18487 B12R0.57 O=CC(C=O)SCCCCCCF 62a_100015922095_100000736813 [0,2,0,0,0,0|2,0,0]=4 18488 B12R0.57 O=CC(C=O)SCCCCCCO 62a_100000736813_100000766143 [0,2,0,0,0,0|2,0,0]=4 18489 B12R0.57 O=CC(C=O)SCCCCCCO 62a_100000766143_100000736813 [0,2,0,0,0,0|2,0,0]=4 18490 B12R0.57 O=CCCCCCNC(CO)CO 2230a_100000759517_100000139337 [0,2,0,0,0,0|2,0,0]=4 18491 B12R0.57 O=CCCCCCOC(CCl)CCl 7a_100000737055_100000139337 [0,2,0,0,0,0|2,0,0]=4 18492 B12R0.57 O=CCCCCCOC(CF)CF 7a_100000032261_100000139337 [0,2,0,0,0,0|2,0,0]=4 18493 B12R0.57 O=CCCCCCO[C@@H](CF)CCl 7a_100015614560_100000139337 [0,2,0,0,0,0|2,0,0]=4 18494 B12R0.102 C=CC(O)COCC(C)CCCC 34a_100011995851_100000730141 [0,2,0,0,0,0|2,0,0]=4 18495 B12R0.102 C=CC(O)COCC(C)CCCC 7a_100011995851_100000730141 [0,2,0,0,0,0|2,0,0]=4 18496 B12R0.102 C=CC(O)COC[C@@H](N)CCCC 34a_100011934283_100000730141 [0,2,0,0,0,0|2,0,0]=4 18497 B12R0.102 C=CCCC(C)NCCC(C)CC 270004a_100020591266_100000762624 [0,2,0,0,0,0|2,0,0]=4 18498 B12R0.113 C=CC(C)CC(=O)CCCCCC 1458a_100011934298_100000210757 [0,2,0,0,0,0|1,0,1]=4 18499 B12R0.113 C=CC(C)OC(C)CCCCCC 34a_100000695699_100011215978 [0,2,0,0,0,0|2,0,0]=4 18500 B12R0.113 C=CC(C)SC(C)CCCCCC 62a_100011215867_100011215978 [0,2,0,0,0,0|2,0,0]=4 18501 B12R0.113 C=CC(O)CN(C)CCCCCC 2230a_106256046315_100000730141 [0,2,0,0,0,0|2,0,0]=4 18502 B12R0.113 C=CCCCCC(=O)CC(C)CC 1458a_100000708755_100011215482 [0,2,0,0,0,0|1,0,1]=4 18503 B12R0.113 C=CCCCCC(=O)CC(C)CC 1458a_100011215552_100000748023 [0,2,0,0,0,0|1,0,1]=4 18504 B12R0.113 C=CCCCCC(=O)CC(O)CC 1458a_100011215552_100011218378 [0,2,0,0,0,0|1,0,1]=4 18505 B12R0.113 C=CCCCCC(=O)CC(O)CC 1458a_100011667805_100011215482 [0,2,0,0,0,0|1,0,1]=4 18506 B12R0.113 C=CCCCCC(=O)C[C@@H](C)CC 1458a_100011215552_100009816398 [0,2,0,0,0,0|1,0,1]=4 18507 B12R0.113 C=CCCCCN(C)CC(C)CC 2230a_100000753921_100011215482 [0,2,0,0,0,0|2,0,0]=4 18508 B12R0.113 C=CCCCCN(C)CC(C)CC 2230a_100012000471_100000748023 [0,2,0,0,0,0|2,0,0]=4 18509 B12R0.113 C=CCCCCN(C)CC(C)CC 269982a_100000753921_100011215482 [0,2,0,0,0,0|2,0,0]=4 18510 B12R0.113 C=CCCCCN(C)CC(C)CC 269982a_100012000471_100000748023 [0,2,0,0,0,0|2,0,0]=4 18511 B12R0.113 C=CCCCCN(C)CC(C)CC 270004a_100012000471_100000243153 [0,2,0,0,0,0|2,0,0]=4 18512 B12R0.113 C=CCCCCN(C)CC(O)CC 2230a_100012000471_100011218378 [0,2,0,0,0,0|2,0,0]=4 18513 B12R0.113 C=CCCCCN(C)CC(O)CC 269982a_100012000471_100011218378 [0,2,0,0,0,0|2,0,0]=4 18514 B12R0.113 C=CCCCCN(C)C[C@@H](C)CC 2230a_100012000471_100009816398 [0,2,0,0,0,0|2,0,0]=4 18515 B12R0.113 C=CCCCCN(C)C[C@@H](C)CC 269982a_100012000471_100009816398 [0,2,0,0,0,0|2,0,0]=4 18516 B12R0.113 C=CCCCNC(C)CC(C)CC 2230a_100000763565_100011713584 [0,2,0,0,0,0|2,0,0]=4 18517 B12R0.113 C=CCCCNC(C)CC(C)CC 270004a_100000700776_100011710205 [0,2,0,0,0,0|2,0,0]=4 18518 B12R0.113 CCC(C)CC(C)NCCCC=O 2230a_100000763565_200011292268 [0,2,0,0,0,0|1,0,0]=3 18519 B12R0.113 CCC(C)CN(C)CCCCC=O 2230a_100000753921_100000139335 [0,2,0,0,0,0|1,0,0]=3 18520 B12R0.113 CCC(C)CN(C)CCCCC=O 269982a_100000753921_100000139335 [0,2,0,0,0,0|1,0,0]=3 18521 B12R0.113 CN(CCCCC=O)CC(O)CO 2230a_100011216503_100000139335 [0,2,0,0,0,0|2,0,0]=4 18522 B12R0.113 CN(CCCCC=O)CC(O)CO 269982a_100011216503_100000139335 [0,2,0,0,0,0|2,0,0]=4 18523 B12R0.142 C=CC(C)COC(C)CCCCC 34a_100011215527_200011218191 [0,2,0,0,0,0|2,0,0]=4 18524 B12R0.142 C=CC(C)COC(C)CCCCC 7a_100011215527_200011218191 [0,2,0,0,0,0|2,0,0]=4 18525 B12R0.142 C=CC(O)CNC(C)CCCCC 2230a_100000211957_100000730141 [0,2,0,0,0,0|2,0,0]=4 18526 B12R0.142 C=CC(O)COC(C)CCCCC 34a_100011215632_100000730141 [0,2,0,0,0,0|2,0,0]=4 18527 B12R0.142 C=CC(O)COC(C)CCCCC 7a_100011215632_100000730141 [0,2,0,0,0,0|2,0,0]=4 18528 B12R0.142 C=CC(O)CSC(C)CCCCC 62a_100000730141_200011218191 [0,2,0,0,0,0|2,0,0]=4 18529 B12R0.142 C=CC(O)CSC(C)CCCCC 62a_200011218191_100000730141 [0,2,0,0,0,0|2,0,0]=4 18530 B12R0.142 C=CCCCC(=O)CCC(C)CC 1458a_100000701222_100000757094 [0,2,0,0,0,0|1,0,1]=4 18531 B12R0.142 C=CCCOC(C)CCC(C)CC 7a_200011216552_100000754431 [0,2,0,0,0,0|2,0,0]=4 18532 B12R0.142 C=C[C@H](N)COC(C)CCCCC 34a_100016989147_200011218191 [0,2,0,0,0,0|2,0,0]=4 18533 B12R0.183 C=CC(O)COCCCC(C)CC 7a_100011216074_100000730141 [0,2,0,0,0,0|2,0,0]=4 18534 B12R0.184 C=C(C)CCOCCCC(C)CC 7a_100011216074_100000730704 [0,2,0,0,0,0|2,0,0]=4 18535 B12R0.184 C=CC(C)COCCCCC(C)C 34a_100011215527_100011216152 [0,2,0,0,0,0|2,0,0]=4 18536 B12R0.184 C=CC(C)COCCCCC(C)C 7a_100011215527_100011216152 [0,2,0,0,0,0|2,0,0]=4 18537 B12R0.184 C=CC(C)OCCCCCC(C)C 34a_100000695699_100000210682 [0,2,0,0,0,0|2,0,0]=4 18538 B12R0.184 C=CC(C)SCCCCCC(C)C 62a_100011215867_100000210682 [0,2,0,0,0,0|2,0,0]=4 18539 B12R0.184 C=CC(O)COCCCCC(C)C 34a_100011214890_100000730141 [0,2,0,0,0,0|2,0,0]=4 18540 B12R0.184 C=CC(O)COCCCCC(C)C 7a_100011214890_100000730141 [0,2,0,0,0,0|2,0,0]=4 18541 B12R0.184 C=CC(O)CSCCCCC(C)C 62a_100000730141_100011216152 [0,2,0,0,0,0|2,0,0]=4 18542 B12R0.184 C=CC(O)CSCCCCC(C)C 62a_100011216152_100000730141 [0,2,0,0,0,0|2,0,0]=4 18543 B12R0.184 C=C[C@H](N)COCCCCC(C)C 34a_100016989147_100011216152 [0,2,0,0,0,0|2,0,0]=4 18544 B12R0.184 CC(=O)CCCCNCC(C)CO 34a_100000744482_100009817362 [0,2,0,0,0,0|2,0,0]=4 18545 B12R0.184 CC(=O)CCCCNC[C@@H](F)CO 34a_100015665980_100009817362 [0,2,0,0,0,0|2,0,0]=4 18546 B12R0.184 CC(=O)CCCCOCC(C)CN 34a_100000744482_100009817362 [0,2,0,0,0,0|2,0,0]=4 18547 B12R0.184 CC(=O)CCCCOCC(Cl)CCl 34a_100000033668_100009817362 [0,2,0,0,0,0|2,0,0]=4 18548 B12R0.184 CC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100009817362 [0,2,0,0,0,0|2,0,0]=4 18549 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100000735457_100011219619 [0,2,0,0,0,0|2,0,0]=4 18550 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100011219619_100000735457 [0,2,0,0,0,0|2,0,0]=4 18551 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000735457 [0,2,0,0,0,0|2,0,0]=4 18552 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000735457_100000059175 [0,2,0,0,0,0|2,0,0]=4 18553 B12R0.184 CC(=O)CCCCSC[C@@H](O)CF 62a_100000735457_100015614560 [0,2,0,0,0,0|2,0,0]=4 18554 B12R0.184 CC(=O)CCCCSC[C@@H](O)CF 62a_100015614560_100000735457 [0,2,0,0,0,0|2,0,0]=4 18555 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100000735457_100009815848 [0,2,0,0,0,0|2,0,0]=4 18556 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000735457 [0,2,0,0,0,0|2,0,0]=4 18557 B12R0.184 CC(=O)CCCNCCC(C)CO 34a_106354213184_100000685027 [0,2,0,0,0,0|2,0,0]=4 18558 B12R0.184 CC(CF)OCCCCCC(=O)N 34a_100016041109_100009817443 [0,2,0,0,0,0|2,0,0]=4 18559 B12R0.184 CC(CF)OCCCCCC(=O)N 7a_100016041109_100009817443 [0,2,0,0,0,0|2,0,0]=4 18560 B12R0.184 CC(CN)OCCCCCC(=O)N 34a_100000210904_100009817443 [0,2,0,0,0,0|2,0,0]=4 18561 B12R0.184 CC(CO)CCNCCCC(=O)N 34a_106354213184_100102525003 [0,2,0,0,0,0|2,0,0]=4 18562 B12R0.184 CC(CO)OCCCCCC(=O)N 34a_100000123541_100012180447 [0,2,0,0,0,0|2,0,0]=4 18563 B12R0.184 CC(CO)OCCCCCC(=O)N 7a_100000123541_100012180447 [0,2,0,0,0,0|2,0,0]=4 18564 B12R0.184 CC(CO)OCCCCCC(=O)[O-] 7a_100102619762_100012180447 [0,2,0,0,0,0|2,0,0]=4 18565 B12R0.184 CC(CO)SCCCCCC(=O)N 62a_100012180447_100009817443 [0,2,0,0,0,0|2,0,0]=4 18566 B12R0.184 CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210202 [0,2,0,0,0,0|1,0,1]=4 18567 B12R0.184 CCC(=O)CCCCCOC(=O)C 1458a_100000210414_100000033007 [0,2,0,0,0,0|1,0,1]=4 18568 B12R0.184 CCC(=O)COCCCCC(=O)C 34a_100000725409_100009817362 [0,2,0,0,0,0|1,0,1]=4 18569 B12R0.184 CCC(=O)COCCCCC(=O)N 7a_100012022536_100000747405 [0,2,0,0,0,0|1,0,1]=4 18570 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747405 [0,2,0,0,0,0|1,0,1]=4 18571 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000747405_100000735457 [0,2,0,0,0,0|1,0,1]=4 18572 B12R0.184 CCC(C)CCCOCCC(=O)C 7a_100011216074_100000053229 [0,2,0,0,0,0|1,0,0]=3 18573 B12R0.184 CCC(C)CCCOCCC(=O)N 7a_100011216074_100000744528 [0,2,0,0,0,0|1,0,0]=3 18574 B12R0.184 CCC(C)CCNCCNC(=O)C 2230a_100020591266_100000189650 [0,2,0,0,0,0|2,0,0]=4 18575 B12R0.184 CCC(C)CCNCCNC(=O)N 2230a_100020591266_200000034859 [0,2,0,0,0,0|2,0,0]=4 18576 B12R0.184 CCC(C)CCOCCCC(=O)C 7a_100011215188_100011215641 [0,2,0,0,0,0|1,0,0]=3 18577 B12R0.184 CCC(C)CCOCCCC(=O)N 7a_100011215188_100102525003 [0,2,0,0,0,0|1,0,0]=3 18578 B12R0.184 CCC(C)CCOCCNC(=O)C 7a_100011215188_100000189650 [0,2,0,0,0,0|2,0,0]=4 18579 B12R0.184 CCC(C)CCOCCNC(=O)N 7a_100011215188_200000034859 [0,2,0,0,0,0|2,0,0]=4 18580 B12R0.184 CCC(C)CCOCCOC(=O)C 7a_100011215188_100009814007 [0,2,0,0,0,0|2,0,0]=4 18581 B12R0.184 CCC(C)CCOCCOC(=O)N 7a_100011215188_200011214921 [0,2,0,0,0,0|2,0,0]=4 18582 B12R0.184 CCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243153 [0,2,0,0,0,0|1,0,0]=3 18583 B12R0.184 CCC(C)CNCCCCC(=O)N 34a_100000696515_100000748023 [0,2,0,0,0,0|1,0,0]=3 18584 B12R0.184 CCC(C)CNCCCNC(=O)C 270004a_100000736810_100000243153 [0,2,0,0,0,0|2,0,0]=4 18585 B12R0.184 CCC(C)CNCCCNC(=O)C 34a_100000736810_100000748023 [0,2,0,0,0,0|2,0,0]=4 18586 B12R0.184 CCC(C)CNCCCSC(=O)C 2230a_100020588543_100000038929 [0,2,0,0,0,0|2,0,0]=4 18587 B12R0.184 CCC(C)CNCCOCC(=O)N 2230a_100020588543_100000076697 [0,2,0,0,0,0|2,0,0]=4 18588 B12R0.184 CCC(C)CNCCOCC(=O)O 269956a_100000700818_100000748023 [0,2,0,0,0,0|2,0,0]=4 18589 B12R0.184 CCC(C)COCCCCC(=O)N 34a_100012022536_100000748023 [0,2,0,0,0,0|1,0,0]=3 18590 B12R0.184 CCC(C)COCCCCC(=O)N 7a_100012022536_100000748023 [0,2,0,0,0,0|1,0,0]=3 18591 B12R0.184 CCC(C)COCCCC[N+](=O)[O-] 34a_200015379883_100000748023 [0,2,0,0,0,0|2,0,0]=4 18592 B12R0.184 CCC(C)COCCCC[N+](=O)[O-] 7a_200015379883_100000748023 [0,2,0,0,0,0|2,0,0]=4 18593 B12R0.184 CCC(C)COCCCNC(=O)C 34a_100000752032_100000748023 [0,2,0,0,0,0|2,0,0]=4 18594 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000735457_100000748023 [0,2,0,0,0,0|1,0,0]=3 18595 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000748023_100000735457 [0,2,0,0,0,0|1,0,0]=3 18596 B12R0.184 CCC(C)CSCCCOC(=O)C 62a_100000042594_100000748023 [0,2,0,0,0,0|2,0,0]=4 18597 B12R0.184 CCC(C)CSCCCOC(=O)C 62a_100000748023_100000042594 [0,2,0,0,0,0|2,0,0]=4 18598 B12R0.184 CCC(C)CSCCCSC(=O)C 62a_100000038929_100000748023 [0,2,0,0,0,0|2,0,0]=4 18599 B12R0.184 CCC(C)CSCCCSC(=O)C 62a_100000748023_100000038929 [0,2,0,0,0,0|2,0,0]=4 18600 B12R0.184 CCC(C)CSCCOCC(=O)N 62a_100000076697_100000748023 [0,2,0,0,0,0|2,0,0]=4 18601 B12R0.184 CCC(C)CSCCOCC(=O)N 62a_100000748023_100000076697 [0,2,0,0,0,0|2,0,0]=4 18602 B12R0.184 CCC(C)NCCCCCC(=O)N 2230a_100000209981_100009817443 [0,2,0,0,0,0|1,0,0]=3 18603 B12R0.184 CCC(C)NCCCCNC(=O)C 2230a_200011368371_100000758301 [0,2,0,0,0,0|2,0,0]=4 18604 B12R0.184 CCC(C)NCCCCNC(=O)C 34a_200011368371_100011215416 [0,2,0,0,0,0|2,0,0]=4 18605 B12R0.184 CCC(C)NCCCCSC(=O)C 2230a_100000209981_200010402107 [0,2,0,0,0,0|2,0,0]=4 18606 B12R0.184 CCC(C)OCCCCCC(=O)N 34a_100000123541_100011215416 [0,2,0,0,0,0|1,0,0]=3 18607 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000123541_100000758301 [0,2,0,0,0,0|1,0,0]=3 18608 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000210228_100009817443 [0,2,0,0,0,0|1,0,0]=3 18609 B12R0.184 CCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000758301 [0,2,0,0,0,0|1,0,0]=3 18610 B12R0.184 CCC(C)OCCCCOC(=O)C 34a_100000073216_100011215416 [0,2,0,0,0,0|2,0,0]=4 18611 B12R0.184 CCC(C)OCCCCOC(=O)C 7a_100000073216_100000758301 [0,2,0,0,0,0|2,0,0]=4 18612 B12R0.184 CCC(C)OCCCCOC(=O)C 7a_100000210228_100000033659 [0,2,0,0,0,0|2,0,0]=4 18613 B12R0.184 CCC(C)OCCCCSC(=O)C 7a_100000210228_200010402107 [0,2,0,0,0,0|2,0,0]=4 18614 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100000758301_100009817443 [0,2,0,0,0,0|1,0,0]=3 18615 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100009817443_100000758301 [0,2,0,0,0,0|1,0,0]=3 18616 B12R0.184 CCC(C)SCCCCOC(=O)C 62a_100000033659_100000758301 [0,2,0,0,0,0|2,0,0]=4 18617 B12R0.184 CCC(C)SCCCCOC(=O)C 62a_100000758301_100000033659 [0,2,0,0,0,0|2,0,0]=4 18618 B12R0.184 CCC(C)SCCCCSC(=O)C 62a_100000758301_200010402107 [0,2,0,0,0,0|2,0,0]=4 18619 B12R0.184 CCC(C)SCCCCSC(=O)C 62a_200010402107_100000758301 [0,2,0,0,0,0|2,0,0]=4 18620 B12R0.184 CCC(O)CNCCCCC(=O)N 34a_100000696515_100011218378 [0,2,0,0,0,0|1,0,0]=3 18621 B12R0.184 CCC(O)CNCCCNC(=O)C 34a_100000736810_100011218378 [0,2,0,0,0,0|2,0,0]=4 18622 B12R0.184 CCC(O)CNCCCSC(=O)C 2230a_100011218483_100000038929 [0,2,0,0,0,0|2,0,0]=4 18623 B12R0.184 CCC(O)CNCCOCC(=O)N 2230a_100011218483_100000076697 [0,2,0,0,0,0|2,0,0]=4 18624 B12R0.184 CCC(O)CNCCOCC(=O)O 269956a_100000700818_100011218378 [0,2,0,0,0,0|2,0,0]=4 18625 B12R0.184 CCC(O)COCCCCC(=O)N 34a_100012022536_100011218378 [0,2,0,0,0,0|1,0,0]=3 18626 B12R0.184 CCC(O)COCCCCC(=O)N 7a_100012022536_100011218378 [0,2,0,0,0,0|1,0,0]=3 18627 B12R0.184 CCC(O)COCCCC[N+](=O)[O-] 34a_200015379883_100011218378 [0,2,0,0,0,0|2,0,0]=4 18628 B12R0.184 CCC(O)COCCCC[N+](=O)[O-] 7a_200015379883_100011218378 [0,2,0,0,0,0|2,0,0]=4 18629 B12R0.184 CCC(O)COCCCNC(=O)C 34a_100000752032_100011218378 [0,2,0,0,0,0|2,0,0]=4 18630 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100000735457_100011218378 [0,2,0,0,0,0|1,0,0]=3 18631 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100011218378_100000735457 [0,2,0,0,0,0|1,0,0]=3 18632 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100000042594_100011218378 [0,2,0,0,0,0|2,0,0]=4 18633 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100011218378_100000042594 [0,2,0,0,0,0|2,0,0]=4 18634 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100000038929_100011218378 [0,2,0,0,0,0|2,0,0]=4 18635 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100011218378_100000038929 [0,2,0,0,0,0|2,0,0]=4 18636 B12R0.184 CCC(O)CSCCOCC(=O)N 62a_100000076697_100011218378 [0,2,0,0,0,0|2,0,0]=4 18637 B12R0.184 CCC(O)CSCCOCC(=O)N 62a_100011218378_100000076697 [0,2,0,0,0,0|2,0,0]=4 18638 B12R0.184 CCN(C)CCCCCOC(=O)C 2230a_100000225621_100009813381 [0,2,0,0,0,0|2,0,0]=4 18639 B12R0.184 CCN(C)CCCCCOC(=O)C 269982a_100000225621_100000033007 [0,2,0,0,0,0|2,0,0]=4 18640 B12R0.184 CCN(C)CCCOCCC(=O)C 7a_100000759926_100015186262 [0,2,0,0,0,0|2,0,0]=4 18641 B12R0.184 CCN(C)CCCOCCC(=O)N 7a_100000757172_100015186262 [0,2,0,0,0,0|2,0,0]=4 18642 B12R0.184 CCN(C)CCCSCCC(=O)C 62a_100000053229_100015186262 [0,2,0,0,0,0|2,0,0]=4 18643 B12R0.184 CCN(C)CCCSCCC(=O)N 62a_100000744528_100015186262 [0,2,0,0,0,0|2,0,0]=4 18644 B12R0.184 CC[C@H](C)CNCCCCC(=O)N 34a_100000696515_100009816398 [0,2,0,0,0,0|1,0,0]=3 18645 B12R0.184 CC[C@H](C)CNCCCNC(=O)C 34a_100000736810_100009816398 [0,2,0,0,0,0|2,0,0]=4 18646 B12R0.184 CC[C@H](C)CNCCOCC(=O)O 269956a_100000700818_100009816398 [0,2,0,0,0,0|2,0,0]=4 18647 B12R0.184 CC[C@H](C)COCCCCC(=O)C 7a_100009816381_100000735457 [0,2,0,0,0,0|1,0,0]=3 18648 B12R0.184 CC[C@H](C)COCCCCC(=O)N 34a_100012022536_100009816398 [0,2,0,0,0,0|1,0,0]=3 18649 B12R0.184 CC[C@H](C)COCCCCC(=O)N 7a_100012022536_100009816398 [0,2,0,0,0,0|1,0,0]=3 18650 B12R0.184 CC[C@H](C)COCCCC[N+](=O)[O-] 34a_200015379883_100009816398 [0,2,0,0,0,0|2,0,0]=4 18651 B12R0.184 CC[C@H](C)COCCCC[N+](=O)[O-] 7a_200015379883_100009816398 [0,2,0,0,0,0|2,0,0]=4 18652 B12R0.184 CC[C@H](C)COCCCNC(=O)C 34a_100000752032_100009816398 [0,2,0,0,0,0|2,0,0]=4 18653 B12R0.184 CC[C@H](C)COCCCOC(=O)C 7a_100009816381_100000042594 [0,2,0,0,0,0|2,0,0]=4 18654 B12R0.184 CC[C@H](C)COCCCSC(=O)C 7a_100009816381_100000038929 [0,2,0,0,0,0|2,0,0]=4 18655 B12R0.184 CC[C@H](C)COCCOCC(=O)N 7a_100009816381_100000076697 [0,2,0,0,0,0|2,0,0]=4 18656 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100000735457_100009816398 [0,2,0,0,0,0|1,0,0]=3 18657 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100009816398_100000735457 [0,2,0,0,0,0|1,0,0]=3 18658 B12R0.184 CC[C@H](C)CSCCCOC(=O)C 62a_100000042594_100009816398 [0,2,0,0,0,0|2,0,0]=4 18659 B12R0.184 CC[C@H](C)CSCCCOC(=O)C 62a_100009816398_100000042594 [0,2,0,0,0,0|2,0,0]=4 18660 B12R0.184 CC[C@H](C)CSCCCSC(=O)C 62a_100000038929_100009816398 [0,2,0,0,0,0|2,0,0]=4 18661 B12R0.184 CC[C@H](C)CSCCCSC(=O)C 62a_100009816398_100000038929 [0,2,0,0,0,0|2,0,0]=4 18662 B12R0.184 CC[C@H](C)CSCCOCC(=O)N 62a_100000076697_100009816398 [0,2,0,0,0,0|2,0,0]=4 18663 B12R0.184 CC[C@H](C)CSCCOCC(=O)N 62a_100009816398_100000076697 [0,2,0,0,0,0|2,0,0]=4 18664 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,2,0,0,0,0|1,0,1]=4 18665 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,2,0,0,0,0|1,0,1]=4 18666 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,2,0,0,0,0|1,0,1]=4 18667 B12R0.184 COC(C)CCOCCCC(=O)C 7a_100000764861_100011215641 [0,2,0,0,0,0|2,0,0]=4 18668 B12R0.184 COC(C)CCOCCCC(=O)N 7a_100000764861_100102525003 [0,2,0,0,0,0|2,0,0]=4 18669 B12R0.184 COC(C)COCCCCC(=O)C 34a_100000690652_100009817362 [0,2,0,0,0,0|2,0,0]=4 18670 B12R0.184 COC(C)SCCCCCC(=O)N 62a_100009817443_100009879195 [0,2,0,0,0,0|2,0,0]=4 18671 B12R0.184 COC(C)SCCCCCC(=O)N 62a_100009879195_100009817443 [0,2,0,0,0,0|2,0,0]=4 18672 B12R0.184 C[C@@H](CN)CCCOCCC(=O)N 34a_100160569302_100000731001 [0,2,0,0,0,0|2,0,0]=4 18673 B12R0.184 C[C@@H](CO)CNCCCCC(=O)N 34a_100000696515_100000059175 [0,2,0,0,0,0|2,0,0]=4 18674 B12R0.184 C[C@@H](CO)COCCCCC(=O)N 34a_100012022536_100000059175 [0,2,0,0,0,0|2,0,0]=4 18675 B12R0.184 C[C@@H](CO)COCCCCC(=O)N 7a_100012022536_100000059175 [0,2,0,0,0,0|2,0,0]=4 18676 B12R0.184 C[C@H](CO)NCCCCCC(=O)N 2230a_100000737577_100009817443 [0,2,0,0,0,0|2,0,0]=4 18677 B12R0.184 C[C@H](CO)SCCCCCC(=O)N 62a_100009817443_100016084084 [0,2,0,0,0,0|2,0,0]=4 18678 B12R0.184 C[C@H](CO)SCCCCCC(=O)N 62a_100016084084_100009817443 [0,2,0,0,0,0|2,0,0]=4 18679 B12R0.184 NC(=O)CCCCNCC(O)CO 34a_100000696515_100011219619 [0,2,0,0,0,0|2,0,0]=4 18680 B12R0.184 NC(=O)CCCCNC[C@@H](O)CF 34a_100000696515_100015614560 [0,2,0,0,0,0|2,0,0]=4 18681 B12R0.184 NC(=O)CCCCNC[C@@H](O)CO 34a_100000696515_100009815848 [0,2,0,0,0,0|2,0,0]=4 18682 B12R0.184 NC(=O)CCCCOCC(O)CO 34a_100012022536_100011219619 [0,2,0,0,0,0|2,0,0]=4 18683 B12R0.184 NC(=O)CCCCOCC(O)CO 7a_100012022536_100011219619 [0,2,0,0,0,0|2,0,0]=4 18684 B12R0.184 NC(=O)CCCCOC[C@@H](O)CF 34a_100012022536_100015614560 [0,2,0,0,0,0|2,0,0]=4 18685 B12R0.184 NC(=O)CCCCOC[C@@H](O)CF 7a_100012022536_100015614560 [0,2,0,0,0,0|2,0,0]=4 18686 B12R0.184 NC(=O)CCCCOC[C@@H](O)CO 34a_100012022536_100009815848 [0,2,0,0,0,0|2,0,0]=4 18687 B12R0.184 NC(=O)CCCCOC[C@@H](O)CO 7a_100012022536_100009815848 [0,2,0,0,0,0|2,0,0]=4 18688 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [0,2,0,0,0,0|1,0,1]=4 18689 B12R0.251 C=C(C)C(C)NCCCCCCC 269862a_100000229938_100011216138 [0,2,0,0,0,0|2,0,0]=4 18690 B12R0.251 C=CCCCCCCC(=O)C(C)C 1458a_100000210198_100011215473 [0,2,0,0,0,0|1,0,1]=4 18691 B12R0.251 C=CCCCCCCC(=O)C(C)C 1458a_100011809334_100000210206 [0,2,0,0,0,0|1,0,1]=4 18692 B12R0.251 C=CCCCCCCC(=O)C(C)F 1458a_100000062450_100011215473 [0,2,0,0,0,0|1,0,1]=4 18693 B12R0.251 C=CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215473 [0,2,0,0,0,0|1,0,1]=4 18694 B12R0.251 C=CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215473 [0,2,0,0,0,0|1,0,1]=4 18695 B12R0.251 C=CCCCCCCN(C)C(C)C 269982a_200000211004_100011215473 [0,2,0,0,0,0|2,0,0]=4 18696 B12R0.251 C=CCCCCCNC(C)C(C)C 2230a_100000211541_100000700193 [0,2,0,0,0,0|2,0,0]=4 18697 B12R0.251 C=CCCCCCOC(C)C(C)C 7a_100000748068_100000700193 [0,2,0,0,0,0|2,0,0]=4 18698 B12R0.251 C=CCCCCNCC(O)C(C)C 2230a_100000759067_100011215482 [0,2,0,0,0,0|2,0,0]=4 18699 B12R0.251 C=CCCCCNCC(O)C(C)C 34a_100000759067_100011215482 [0,2,0,0,0,0|2,0,0]=4 18700 B12R0.251 C=CCCCCOC[C@H](N)C(C)C 34a_100011830312_100011215482 [0,2,0,0,0,0|2,0,0]=4 18701 B12R0.251 C=CCCCOCCC(N)C(C)C 34a_100161115045_100000757094 [0,2,0,0,0,0|2,0,0]=4 18702 B12R0.251 CC(=O)C(C)COCCCCC=O 7a_100000032740_100000139335 [0,2,0,0,0,0|1,0,1]=4 18703 B12R0.251 CC(=O)C(C)COCCCCCF 34a_100000032740_100000729378 [0,2,0,0,0,0|2,0,0]=4 18704 B12R0.251 CC(=O)C(C)COCCCCCF 7a_100000032740_100000729378 [0,2,0,0,0,0|2,0,0]=4 18705 B12R0.251 CC(=O)C(C)COCCCCCO 34a_100000032740_100000746330 [0,2,0,0,0,0|2,0,0]=4 18706 B12R0.251 CC(=O)C(C)COCCCCCO 7a_100000032740_100000746330 [0,2,0,0,0,0|2,0,0]=4 18707 B12R0.251 CC(=O)C(C)NCCCCCCO 2230a_100000686447_100009814033 [0,2,0,0,0,0|2,0,0]=4 18708 B12R0.251 CC(=O)C(C)OCCCCCCBr 7a_100011215345_100000179758 [0,2,0,0,0,0|2,0,0]=4 18709 B12R0.251 CC(=O)C(C)OCCCCCCCl 7a_100000766143_100000179758 [0,2,0,0,0,0|2,0,0]=4 18710 B12R0.251 CC(=O)C(C)OCCCCCCF 34a_100000212229_100015922095 [0,2,0,0,0,0|2,0,0]=4 18711 B12R0.251 CC(=O)C(C)OCCCCCCF 7a_100000732779_100000179758 [0,2,0,0,0,0|2,0,0]=4 18712 B12R0.251 CC(=O)C(C)OCCCCCCO 34a_100000212229_100000766143 [0,2,0,0,0,0|2,0,0]=4 18713 B12R0.251 CC(=O)C(C)SCCCCCC=O 62a_100000139337_100009814033 [0,2,0,0,0,0|1,0,1]=4 18714 B12R0.251 CC(=O)C(C)SCCCCCC=O 62a_100009814033_100000139337 [0,2,0,0,0,0|1,0,1]=4 18715 B12R0.251 CC(=O)C(C)SCCCCCCF 62a_100009814033_100015922095 [0,2,0,0,0,0|2,0,0]=4 18716 B12R0.251 CC(=O)C(C)SCCCCCCF 62a_100015922095_100009814033 [0,2,0,0,0,0|2,0,0]=4 18717 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100000766143_100009814033 [0,2,0,0,0,0|2,0,0]=4 18718 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100009814033_100000766143 [0,2,0,0,0,0|2,0,0]=4 18719 B12R0.251 CC(C)C(=O)CSCCCCC=O 62a_100000139335_100000753385 [0,2,0,0,0,0|1,0,1]=4 18720 B12R0.251 CC(C)C(=O)CSCCCCC=O 62a_100000753385_100000139335 [0,2,0,0,0,0|1,0,1]=4 18721 B12R0.251 CC(C)C(C)NCCCCCC=O 2230a_100000211541_100000139337 [0,2,0,0,0,0|1,0,0]=3 18722 B12R0.251 CC(C)C(C)OCCCCCC=O 7a_100000748068_100000139337 [0,2,0,0,0,0|1,0,0]=3 18723 B12R0.251 CC(C)C(O)CNCCCCC=O 2230a_100000759067_100000139335 [0,2,0,0,0,0|1,0,0]=3 18724 B12R0.251 CC(CNCCCCCF)C(=O)O 269956a_100000749485_100000729378 [0,2,0,0,0,0|2,0,0]=4 18725 B12R0.251 CC(CNCCCCCO)C(=O)O 269956a_100000749485_100000746330 [0,2,0,0,0,0|2,0,0]=4 18726 B12R0.251 CC(NCCCCCCO)C(=O)N 2230a_100000686447_100000702099 [0,2,0,0,0,0|2,0,0]=4 18727 B12R0.251 CC(NCCCCCCO)C(=O)N 34a_100000686447_100000702099 [0,2,0,0,0,0|2,0,0]=4 18728 B12R0.251 CC(OCCCCCCBr)C(=O)N 34a_100011215345_100000702099 [0,2,0,0,0,0|2,0,0]=4 18729 B12R0.251 CC(OCCCCCCBr)C(=O)N 7a_100011215345_100000702099 [0,2,0,0,0,0|2,0,0]=4 18730 B12R0.251 CC(OCCCCCCCl)C(=O)N 34a_100000766143_100000702099 [0,2,0,0,0,0|2,0,0]=4 18731 B12R0.251 CC(OCCCCCCCl)C(=O)N 7a_100000766143_100000702099 [0,2,0,0,0,0|2,0,0]=4 18732 B12R0.251 CC(OCCCCCCF)C(=O)N 34a_100000732779_100000702099 [0,2,0,0,0,0|2,0,0]=4 18733 B12R0.251 CC(OCCCCCCF)C(=O)N 7a_100000732779_100000702099 [0,2,0,0,0,0|2,0,0]=4 18734 B12R0.251 CC(OCCCCCCN)C(=O)N 34a_100000686447_100000702099 [0,2,0,0,0,0|2,0,0]=4 18735 B12R0.251 CC(SCCCCCCF)C(=O)N 62a_100000702099_100015922095 [0,2,0,0,0,0|2,0,0]=4 18736 B12R0.251 CC(SCCCCCCF)C(=O)N 62a_100015922095_100000702099 [0,2,0,0,0,0|2,0,0]=4 18737 B12R0.251 CC(SCCCCCCO)C(=O)N 62a_100000702099_100000766143 [0,2,0,0,0,0|2,0,0]=4 18738 B12R0.251 CC(SCCCCCCO)C(=O)N 62a_100000766143_100000702099 [0,2,0,0,0,0|2,0,0]=4 18739 B12R0.251 CCCCCCCCC(C)N(C)C 270004a_100102631434_100011216694 [0,2,0,0,0,0|2,0,0]=4 18740 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,2,0,0,0,0|0,0,0]=2 18741 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,2,0,0,0,0|0,0,0]=2 18742 B12R0.251 CCCCCCCCN(C)C(=O)C 11a_100000207567_100015343762 [0,2,0,0,0,0|1,0,0]=3 18743 B12R0.251 CCCCCCCCN(C)C(=O)C 1626a_100000207567_100015343762 [0,2,0,0,0,0|1,0,0]=3 18744 B12R0.251 CCCCCCCCN(C)C(=O)C 240690a_100000207567_100015343762 [0,2,0,0,0,0|1,0,0]=3 18745 B12R0.251 CCCCCCCCN(C)C(=O)C 527a_100000207567_100103153847 [0,2,0,0,0,0|1,0,0]=3 18746 B12R0.251 CCCCCCCNC(=O)C(=O)N 240690a_100000229938_100011215815 [0,2,0,0,0,0|1,0,1]=4 18747 B12R0.251 CCCCCCCNC(C)C(=O)C 2230a_100000229938_100009814033 [0,2,0,0,0,0|1,0,0]=3 18748 B12R0.251 CCCCCCCNC(C)C(=O)N 2230a_100000229938_100000702099 [0,2,0,0,0,0|1,0,0]=3 18749 B12R0.251 CCCCCCCNC(F)C(=O)N 2230a_100000229938_100009813875 [0,2,0,0,0,0|1,0,0]=3 18750 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,2,0,0,0,0|1,0,0]=3 18751 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210681 [0,2,0,0,0,0|1,0,0]=3 18752 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210614 [0,2,0,0,0,0|1,0,0]=3 18753 B12R0.251 CCCCCCCOC(C)C(=O)C 34a_100000212229_100000210614 [0,2,0,0,0,0|1,0,0]=3 18754 B12R0.251 CCCCCCCOC(C)C(=O)C 7a_100000210272_100000179758 [0,2,0,0,0,0|1,0,0]=3 18755 B12R0.251 CCCCCCCOC(C)C(=O)N 34a_100000210272_100000702099 [0,2,0,0,0,0|1,0,0]=3 18756 B12R0.251 CCCCCCCOC(C)C(=O)N 7a_100000210272_100000702099 [0,2,0,0,0,0|1,0,0]=3 18757 B12R0.251 CCCCCCCOC(F)C(=O)N 34a_100000210272_100009813875 [0,2,0,0,0,0|1,0,0]=3 18758 B12R0.251 CCCCCCCOC(F)C(=O)N 7a_100000210272_100009813875 [0,2,0,0,0,0|1,0,0]=3 18759 B12R0.251 CCCCCCCOC(F)C(=O)[O-] 34a_100000210272_100020610796 [0,2,0,0,0,0|1,0,0]=3 18760 B12R0.251 CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210614 [0,2,0,0,0,0|1,0,0]=3 18761 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210614 [0,2,0,0,0,0|1,0,0]=3 18762 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210614 [0,2,0,0,0,0|1,0,0]=3 18763 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100000210614_100009814033 [0,2,0,0,0,0|1,0,0]=3 18764 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100009814033_100000210316 [0,2,0,0,0,0|1,0,0]=3 18765 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000210614_100000702099 [0,2,0,0,0,0|1,0,0]=3 18766 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000702099_100000210316 [0,2,0,0,0,0|1,0,0]=3 18767 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100000210614_100009813875 [0,2,0,0,0,0|1,0,0]=3 18768 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100009813875_100000210316 [0,2,0,0,0,0|1,0,0]=3 18769 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100000210614_100020610796 [0,2,0,0,0,0|1,0,0]=3 18770 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210316 [0,2,0,0,0,0|1,0,0]=3 18771 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [0,2,0,0,0,0|1,0,0]=3 18772 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [0,2,0,0,0,0|1,0,0]=3 18773 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [0,2,0,0,0,0|1,0,1]=4 18774 B12R0.251 CCCCCCOCC(C)C(=O)C 34a_100000032740_100000210314 [0,2,0,0,0,0|1,0,0]=3 18775 B12R0.251 CCCCCCOCC(C)C(=O)C 7a_100000032740_100000210314 [0,2,0,0,0,0|1,0,0]=3 18776 B12R0.251 CCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210314 [0,2,0,0,0,0|2,0,0]=4 18777 B12R0.251 CCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210314 [0,2,0,0,0,0|2,0,0]=4 18778 B12R0.251 CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210314 [0,2,0,0,0,0|1,0,0]=3 18779 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [0,2,0,0,0,0|1,0,1]=4 18780 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [0,2,0,0,0,0|1,0,1]=4 18781 B12R0.251 CCCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000743108 [0,2,0,0,0,0|2,0,0]=4 18782 B12R0.251 CCCCOCCN[C@H](C)C(=O)N 2230a_100000119354_100000743108 [0,2,0,0,0,0|2,0,0]=4 18783 B12R0.251 CCCCOCCN[C@H](C)C(=O)N 34a_100000119354_100000743108 [0,2,0,0,0,0|2,0,0]=4 18784 B12R0.251 CCCCOCCOC(C)C(=O)C 34a_100000212229_100000743108 [0,2,0,0,0,0|2,0,0]=4 18785 B12R0.251 CCCCOCCOC(C)C(=O)C 7a_100000210238_100000179758 [0,2,0,0,0,0|2,0,0]=4 18786 B12R0.251 CCCCOCCOC(C)C(=O)N 34a_100000210238_100000702099 [0,2,0,0,0,0|2,0,0]=4 18787 B12R0.251 CCCCOCCOC(C)C(=O)N 7a_100000210238_100000702099 [0,2,0,0,0,0|2,0,0]=4 18788 B12R0.251 CCCCOCCOC(F)C(=O)N 34a_100000210238_100009813875 [0,2,0,0,0,0|2,0,0]=4 18789 B12R0.251 CCCCOCCOC(F)C(=O)N 7a_100000210238_100009813875 [0,2,0,0,0,0|2,0,0]=4 18790 B12R0.251 CCCCOCCOC(F)C(=O)[O-] 34a_100000210238_100020610796 [0,2,0,0,0,0|2,0,0]=4 18791 B12R0.251 CCCCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000743108 [0,2,0,0,0,0|2,0,0]=4 18792 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 34a_100000731257_100000743108 [0,2,0,0,0,0|2,0,0]=4 18793 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 7a_100000731257_100000743108 [0,2,0,0,0,0|2,0,0]=4 18794 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100000743108_100009814033 [0,2,0,0,0,0|2,0,0]=4 18795 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100009814033_100000743108 [0,2,0,0,0,0|2,0,0]=4 18796 B12R0.251 CCCCOCCSC(C)C(=O)N 62a_100000702099_100000743108 [0,2,0,0,0,0|2,0,0]=4 18797 B12R0.251 CCCCOCCSC(C)C(=O)N 62a_100000743108_100000702099 [0,2,0,0,0,0|2,0,0]=4 18798 B12R0.251 CCCCOCCSC(F)C(=O)N 62a_100000743108_100009813875 [0,2,0,0,0,0|2,0,0]=4 18799 B12R0.251 CCCCOCCSC(F)C(=O)N 62a_100009813875_100000743108 [0,2,0,0,0,0|2,0,0]=4 18800 B12R0.251 CCCCOCCSC(F)C(=O)[O-] 62a_100000743108_100020610796 [0,2,0,0,0,0|2,0,0]=4 18801 B12R0.251 CCCCOCCSC(F)C(=O)[O-] 62a_100020610796_100000743108 [0,2,0,0,0,0|2,0,0]=4 18802 B12R0.251 CCCCOCNCC(C)C(=O)O 269956a_100000749485_100011995733 [0,2,0,0,0,0|2,0,0]=4 18803 B12R0.251 CCCCOCNCC(F)C(=O)O 269956a_100000084737_100011995733 [0,2,0,0,0,0|2,0,0]=4 18804 B12R0.251 CCCCOCOCC(C)C(=O)C 34a_100000032740_100011995733 [0,2,0,0,0,0|2,0,0]=4 18805 B12R0.251 CCCCOCOC[C@H](N)C(=O)N 34a_100000729942_100011995733 [0,2,0,0,0,0|2,0,0]=4 18806 B12R0.251 CCCCSCCNC(C)C(=O)C 2230a_100025743550_100009814033 [0,2,0,0,0,0|2,0,0]=4 18807 B12R0.251 CCCCSCCNC(C)C(=O)N 2230a_100025743550_100000702099 [0,2,0,0,0,0|2,0,0]=4 18808 B12R0.251 CCCCSCCNC(F)C(=O)N 2230a_100025743550_100009813875 [0,2,0,0,0,0|2,0,0]=4 18809 B12R0.251 CCCCSCCOC(C)C(=O)C 7a_200000230436_100000179758 [0,2,0,0,0,0|2,0,0]=4 18810 B12R0.251 CCCCSCCOC(C)C(=O)N 34a_200000230436_100000702099 [0,2,0,0,0,0|2,0,0]=4 18811 B12R0.251 CCCCSCCOC(C)C(=O)N 7a_200000230436_100000702099 [0,2,0,0,0,0|2,0,0]=4 18812 B12R0.251 CCCCSCCOC(F)C(=O)N 34a_200000230436_100009813875 [0,2,0,0,0,0|2,0,0]=4 18813 B12R0.251 CCCCSCCOC(F)C(=O)N 7a_200000230436_100009813875 [0,2,0,0,0,0|2,0,0]=4 18814 B12R0.251 CCCCSCCOC(F)C(=O)[O-] 34a_200000230436_100020610796 [0,2,0,0,0,0|2,0,0]=4 18815 B12R0.251 CCCOCCCNC(C)C(=O)C 2230a_100011217757_100009814033 [0,2,0,0,0,0|2,0,0]=4 18816 B12R0.251 CCCOCCCNC(C)C(=O)N 2230a_100011217757_100000702099 [0,2,0,0,0,0|2,0,0]=4 18817 B12R0.251 CCCOCCCNC(C)C(=O)N 34a_100011217757_100000702099 [0,2,0,0,0,0|2,0,0]=4 18818 B12R0.251 CCCOCCCNC(F)C(=O)N 2230a_100011217757_100009813875 [0,2,0,0,0,0|2,0,0]=4 18819 B12R0.251 CCCOCCCNC(F)C(=O)N 34a_100011217757_100009813875 [0,2,0,0,0,0|2,0,0]=4 18820 B12R0.251 CCCOCCCNC(F)C(=O)[O-] 34a_100011217757_100020610796 [0,2,0,0,0,0|2,0,0]=4 18821 B12R0.251 CCCOCCNCC(C)C(=O)O 269956a_100000749485_100011215938 [0,2,0,0,0,0|2,0,0]=4 18822 B12R0.251 CCCOCCNCC(F)C(=O)O 269956a_100000084737_100011215938 [0,2,0,0,0,0|2,0,0]=4 18823 B12R0.251 CCCOCCOCC(C)C(=O)C 34a_100000032740_100011215938 [0,2,0,0,0,0|2,0,0]=4 18824 B12R0.251 CCCOCCOCC(C)C(=O)C 7a_100000032740_100011215938 [0,2,0,0,0,0|2,0,0]=4 18825 B12R0.251 CCCOCCOC[C@H](N)C(=O)N 34a_100000729942_100011215938 [0,2,0,0,0,0|2,0,0]=4 18826 B12R0.251 CCOCCCNCC(C)C(=O)O 269956a_100000749485_100012232248 [0,2,0,0,0,0|2,0,0]=4 18827 B12R0.251 CCOCCCNCC(F)C(=O)O 269956a_100000084737_100012232248 [0,2,0,0,0,0|2,0,0]=4 18828 B12R0.251 CCOCCCOCC(C)C(=O)C 34a_100000032740_100012232248 [0,2,0,0,0,0|2,0,0]=4 18829 B12R0.251 CCOCCCOCC(C)C(=O)C 7a_100000032740_100012232248 [0,2,0,0,0,0|2,0,0]=4 18830 B12R0.251 CCOCCCOC[C@H](N)C(=O)N 34a_100000729942_100012232248 [0,2,0,0,0,0|2,0,0]=4 18831 B12R0.251 CNCCCCCOC(C)C(=O)N 34a_100000722520_100000702099 [0,2,0,0,0,0|2,0,0]=4 18832 B12R0.251 CNCCCCCOC(F)C(=O)N 34a_100000722520_100009813875 [0,2,0,0,0,0|2,0,0]=4 18833 B12R0.251 CNCCCCCOC(F)C(=O)[O-] 34a_100000722520_100020610796 [0,2,0,0,0,0|2,0,0]=4 18834 B12R0.251 COCCCCCNC(C)C(=O)C 2230a_100000747528_100009814033 [0,2,0,0,0,0|2,0,0]=4 18835 B12R0.251 COCCCCCNC(C)C(=O)N 2230a_100000747528_100000702099 [0,2,0,0,0,0|2,0,0]=4 18836 B12R0.251 COCCCCCNC(C)C(=O)N 34a_100000747528_100000702099 [0,2,0,0,0,0|2,0,0]=4 18837 B12R0.251 COCCCCCNC(F)C(=O)N 2230a_100000747528_100009813875 [0,2,0,0,0,0|2,0,0]=4 18838 B12R0.251 COCCCCCNC(F)C(=O)N 34a_100000747528_100009813875 [0,2,0,0,0,0|2,0,0]=4 18839 B12R0.251 COCCCCCNC(F)C(=O)[O-] 34a_100000747528_100020610796 [0,2,0,0,0,0|2,0,0]=4 18840 B12R0.251 COCCCCNCC(C)C(=O)O 269956a_100000749485_100000730899 [0,2,0,0,0,0|2,0,0]=4 18841 B12R0.251 COCCCCNCC(F)C(=O)O 269956a_100000084737_100000730899 [0,2,0,0,0,0|2,0,0]=4 18842 B12R0.251 COCCCCOCC(C)C(=O)C 34a_100000032740_100000755781 [0,2,0,0,0,0|2,0,0]=4 18843 B12R0.251 COCCCCOCC(C)C(=O)C 7a_100000032740_100000730899 [0,2,0,0,0,0|2,0,0]=4 18844 B12R0.251 COCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000755781 [0,2,0,0,0,0|2,0,0]=4 18845 B12R0.251 C[C@@H](NCCCCCCF)C(=O)N 2230a_100000119354_100015922095 [0,2,0,0,0,0|2,0,0]=4 18846 B12R0.251 C[C@@H](NCCCCCCF)C(=O)N 34a_100000119354_100015922095 [0,2,0,0,0,0|2,0,0]=4 18847 B12R0.251 C[C@@H](NCCCCCCO)C(=O)N 2230a_100000119354_100000766143 [0,2,0,0,0,0|2,0,0]=4 18848 B12R0.251 C[C@@H](NCCCCCCO)C(=O)N 34a_100000119354_100000766143 [0,2,0,0,0,0|2,0,0]=4 18849 B12R0.251 C[C@@H](OCCCCCCF)C(=O)N 34a_100000731257_100015922095 [0,2,0,0,0,0|2,0,0]=4 18850 B12R0.251 C[C@@H](OCCCCCCF)C(=O)N 7a_100000731257_100015922095 [0,2,0,0,0,0|2,0,0]=4 18851 B12R0.251 C[C@@H](OCCCCCCO)C(=O)N 34a_100000731257_100000766143 [0,2,0,0,0,0|2,0,0]=4 18852 B12R0.251 C[C@@H](OCCCCCCO)C(=O)N 7a_100000731257_100000766143 [0,2,0,0,0,0|2,0,0]=4 18853 B12R0.251 C[C@H](NCCCCCCF)C(=O)O 269956a_100000743915_100015922095 [0,2,0,0,0,0|2,0,0]=4 18854 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 269956a_100000743915_100000766143 [0,2,0,0,0,0|2,0,0]=4 18855 B12R0.251 C[C@H](OCCCCCCF)C(=O)[O-] 7a_217856618621_100015922095 [0,2,0,0,0,0|2,0,0]=4 18856 B12R0.251 C[C@H](OCCCCCCO)C(=O)[O-] 7a_217856618621_100000766143 [0,2,0,0,0,0|2,0,0]=4 18857 B12R0.251 NC(=O)C(F)NCCCCCCO 2230a_100000686447_100009813875 [0,2,0,0,0,0|2,0,0]=4 18858 B12R0.251 NC(=O)C(F)NCCCCCCO 34a_100000686447_100009813875 [0,2,0,0,0,0|2,0,0]=4 18859 B12R0.251 NC(=O)C(F)OCCCCCCBr 34a_100011215345_100009813875 [0,2,0,0,0,0|2,0,0]=4 18860 B12R0.251 NC(=O)C(F)OCCCCCCBr 7a_100011215345_100009813875 [0,2,0,0,0,0|2,0,0]=4 18861 B12R0.251 NC(=O)C(F)OCCCCCCCl 34a_100000766143_100009813875 [0,2,0,0,0,0|2,0,0]=4 18862 B12R0.251 NC(=O)C(F)OCCCCCCCl 7a_100000766143_100009813875 [0,2,0,0,0,0|2,0,0]=4 18863 B12R0.251 NC(=O)C(F)OCCCCCCF 34a_100000732779_100009813875 [0,2,0,0,0,0|2,0,0]=4 18864 B12R0.251 NC(=O)C(F)OCCCCCCF 7a_100000732779_100009813875 [0,2,0,0,0,0|2,0,0]=4 18865 B12R0.251 NC(=O)C(F)SCCCCCCF 62a_100009813875_100015922095 [0,2,0,0,0,0|2,0,0]=4 18866 B12R0.251 NC(=O)C(F)SCCCCCCF 62a_100015922095_100009813875 [0,2,0,0,0,0|2,0,0]=4 18867 B12R0.251 NC(=O)C(F)SCCCCCCO 62a_100000766143_100009813875 [0,2,0,0,0,0|2,0,0]=4 18868 B12R0.251 NC(=O)C(F)SCCCCCCO 62a_100009813875_100000766143 [0,2,0,0,0,0|2,0,0]=4 18869 B12R0.251 NC(=O)[C@@H](N)COCCCCCF 34a_100000729942_100000729378 [0,2,0,0,0,0|2,0,0]=4 18870 B12R0.251 NC(=O)[C@@H](N)COCCCCCO 34a_100000729942_100000746330 [0,2,0,0,0,0|2,0,0]=4 18871 B12R0.251 NCCCCCCOC(F)C(=O)N 34a_100000686447_100009813875 [0,2,0,0,0,0|2,0,0]=4 18872 B12R0.251 NCCCCCCOC(F)C(=O)[O-] 34a_100000686447_100020610796 [0,2,0,0,0,0|2,0,0]=4 18873 B12R0.251 O=C(O)C(F)CNCCCCCF 269956a_100000084737_100000729378 [0,2,0,0,0,0|2,0,0]=4 18874 B12R0.251 O=C(O)C(F)CNCCCCCO 269956a_100000084737_100000746330 [0,2,0,0,0,0|2,0,0]=4 18875 B12R0.251 O=C([O-])C(F)NCCCCCCO 34a_100000686447_100020610796 [0,2,0,0,0,0|2,0,0]=4 18876 B12R0.251 O=C([O-])C(F)OCCCCCCBr 34a_100011215345_100020610796 [0,2,0,0,0,0|2,0,0]=4 18877 B12R0.251 O=C([O-])C(F)OCCCCCCCl 34a_100000766143_100020610796 [0,2,0,0,0,0|2,0,0]=4 18878 B12R0.251 O=C([O-])C(F)OCCCCCCF 34a_100000732779_100020610796 [0,2,0,0,0,0|2,0,0]=4 18879 B12R0.251 O=C([O-])C(F)SCCCCCCF 62a_100015922095_100020610796 [0,2,0,0,0,0|2,0,0]=4 18880 B12R0.251 O=C([O-])C(F)SCCCCCCF 62a_100020610796_100015922095 [0,2,0,0,0,0|2,0,0]=4 18881 B12R0.251 O=C([O-])C(F)SCCCCCCO 62a_100000766143_100020610796 [0,2,0,0,0,0|2,0,0]=4 18882 B12R0.251 O=C([O-])C(F)SCCCCCCO 62a_100020610796_100000766143 [0,2,0,0,0,0|2,0,0]=4 18883 B12R0.312 C=CC(C)(C)OCCCCCCC 34a_100011215311_100000210614 [0,2,0,0,0,0|2,0,0]=4 18884 B12R0.312 C=CC(C)(C)OCCCCCCC 7a_100011215311_100000210614 [0,2,0,0,0,0|2,0,0]=4 18885 B12R0.312 C=CC(F)(F)SCCCCCCC 62a_100000210614_100009814244 [0,2,0,0,0,0|2,0,0]=4 18886 B12R0.312 C=CC(F)(F)SCCCCCCC 62a_100009814244_100000210316 [0,2,0,0,0,0|2,0,0]=4 18887 B12R0.312 C=CCCCCCNC(C)(C)CC 2230a_100000211385_100000700193 [0,2,0,0,0,0|2,0,0]=4 18888 B12R0.312 C=CCCCCCOC(C)(C)CC 7a_100000210230_100000700193 [0,2,0,0,0,0|2,0,0]=4 18889 B12R0.312 C=CCCCCCOC(C)(C)CC 7a_100011216702_100000210677 [0,2,0,0,0,0|2,0,0]=4 18890 B12R0.312 C=CCCCCCSC(C)(C)CC 62a_100000032637_100000700193 [0,2,0,0,0,0|2,0,0]=4 18891 B12R0.312 C=CCCCCCSC(C)(C)CC 62a_100000700193_100000032637 [0,2,0,0,0,0|2,0,0]=4 18892 B12R0.312 C=CCCCCOCC(C)(C)CC 7a_100000765029_100011215482 [0,2,0,0,0,0|2,0,0]=4 18893 B12R0.312 CC(C)(CCl)COCCCCC=O 7a_100011217199_100000139335 [0,2,0,0,0,0|2,0,0]=4 18894 B12R0.312 CC(C)(CCl)OCCCCCC=O 7a_100000764493_100000139337 [0,2,0,0,0,0|2,0,0]=4 18895 B12R0.312 CC(C)(CO)CNCCCCC=O 2230a_100020635058_100000139335 [0,2,0,0,0,0|2,0,0]=4 18896 B12R0.312 CC(C)(CO)CSCCCCC=O 62a_100000139335_100009813988 [0,2,0,0,0,0|2,0,0]=4 18897 B12R0.312 CC(C)(CO)CSCCCCC=O 62a_100009813988_100000139335 [0,2,0,0,0,0|2,0,0]=4 18898 B12R0.312 CC(C)(CO)NCCCCCC=O 2230a_100000210608_100000139337 [0,2,0,0,0,0|2,0,0]=4 18899 B12R0.312 CCC(C)(C)COCCCCC=O 7a_100000765029_100000139335 [0,2,0,0,0,0|1,0,0]=3 18900 B12R0.312 CCC(C)(C)NCCCCCC=O 2230a_100000211385_100000139337 [0,2,0,0,0,0|1,0,0]=3 18901 B12R0.312 CCC(C)(C)OCCCCCC=O 7a_100000210230_100000139337 [0,2,0,0,0,0|1,0,0]=3 18902 B12R0.312 CCC(C)(C)SCCCCCC=O 62a_100000032637_100000139337 [0,2,0,0,0,0|1,0,0]=3 18903 B12R0.312 CCC(C)(C)SCCCCCC=O 62a_100000139337_100000032637 [0,2,0,0,0,0|1,0,0]=3 18904 B12R0.312 CCS(=O)(=O)CCNCCCC=O 2230a_100000751051_200011292268 [0,2,0,0,0,0|2,0,0]=4 18905 B12R0.312 CCS(=O)(=O)CCOCCCC=O 7a_200011216379_200011292268 [0,2,0,0,0,0|2,0,0]=4 18906 B12R0.312 CCS(=O)(=O)CCSCCCC=O 62a_100000756660_200011292268 [0,2,0,0,0,0|2,0,0]=4 18907 B12R0.312 CCS(=O)(=O)CCSCCCC=O 62a_200011292268_100000756660 [0,2,0,0,0,0|2,0,0]=4 18908 B12R0.312 COC(C)(C)CCOCCCC=O 7a_100000699976_200011292268 [0,2,0,0,0,0|2,0,0]=4 18909 B12R0.312 COC(C)(C)CNCCCCC=O 2230a_100000763424_100000139335 [0,2,0,0,0,0|2,0,0]=4 18910 B12R0.312 COC(C)(C)CSCCCCC=O 62a_100000139335_100000701081 [0,2,0,0,0,0|2,0,0]=4 18911 B12R0.312 COC(C)(C)CSCCCCC=O 62a_100000701081_100000139335 [0,2,0,0,0,0|2,0,0]=4 18912 B12R0.312 O=CCCCCCSC(F)(F)CO 62a_100000139337_100011217949 [0,2,0,0,0,0|2,0,0]=4 18913 B12R0.312 O=CCCCCCSC(F)(F)CO 62a_100011217949_100000139337 [0,2,0,0,0,0|2,0,0]=4 18914 B12R0.95 C=C(C)CCOCC(C)CCCC 34a_100011995851_100000730704 [0,2,0,0,0,0|2,0,0]=4 18915 B12R0.95 C=C(C)CCOCC(C)CCCC 7a_100011995851_100000730704 [0,2,0,0,0,0|2,0,0]=4 18916 B12R0.95 C=C(C)CCOC[C@@H](N)CCCC 34a_100011934283_100000730704 [0,2,0,0,0,0|2,0,0]=4 18917 B12R0.95 C=CCCC(=O)CCCCC(C)C 1458a_100000749702_100011216152 [0,2,0,0,0,0|1,0,1]=4 18918 B12R0.95 C=CCCC(=O)CCCCC(C)C 1458a_100011933920_100000754431 [0,2,0,0,0,0|1,0,1]=4 18919 B12R0.95 C=CCCC(C)NCCCC(C)C 270004a_200000737386_100000762624 [0,2,0,0,0,0|2,0,0]=4 18920 B12R0.95 C=CCCC(C)OCCCC(C)C 34a_100000765329_100011214892 [0,2,0,0,0,0|2,0,0]=4 18921 B12R0.95 C=CCCC(C)OCCCC(C)C 7a_100000765329_100011214892 [0,2,0,0,0,0|2,0,0]=4 18922 B12R0.95 C=CCCC(C)OCCCC(C)O 34a_100000765329_200000718107 [0,2,0,0,0,0|2,0,0]=4 18923 B12R0.95 C=CCCC(C)OCCCC(C)O 7a_100000765329_200000718107 [0,2,0,0,0,0|2,0,0]=4 18924 B12R0.95 C=CCCN(C)CCCCC(C)C 2230a_100020639649_100011216152 [0,2,0,0,0,0|2,0,0]=4 18925 B12R0.95 C=CCCN(C)CCCCC(C)C 269982a_100020639649_100011216152 [0,2,0,0,0,0|2,0,0]=4 18926 B12R0.95 CC(=O)CCCCN(C)CCCO 269982a_100000213112_100000735457 [0,2,0,0,0,0|2,0,0]=4 18927 B12R0.95 CC(=O)CCCOC(C)CCCCl 34a_200000718107_100000685027 [0,2,0,0,0,0|2,0,0]=4 18928 B12R0.95 CC(=O)CCCOC(C)CCCCl 7a_200000718107_100011215641 [0,2,0,0,0,0|2,0,0]=4 18929 B12R0.95 CC(CCCCl)OCCCC(=O)N 34a_200000718107_100102525003 [0,2,0,0,0,0|2,0,0]=4 18930 B12R0.95 CC(CCCCl)OCCCC(=O)N 7a_200000718107_100102525003 [0,2,0,0,0,0|2,0,0]=4 18931 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [0,2,0,0,0,0|0,0,1]=3 18932 B12R0.95 CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210211 [0,2,0,0,0,0|1,0,1]=4 18933 B12R0.95 CCCCC(=O)CCCOC(=O)C 1458a_100000210183_100000042594 [0,2,0,0,0,0|1,0,1]=4 18934 B12R0.95 CCCCC(=O)CCCSC(=O)C 1458a_100000210183_100000038929 [0,2,0,0,0,0|1,0,1]=4 18935 B12R0.95 CCCCC(=O)CCOCC(=O)N 1458a_100000210183_100000076697 [0,2,0,0,0,0|1,0,1]=4 18936 B12R0.95 CCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210211 [0,2,0,0,0,0|1,0,1]=4 18937 B12R0.95 CCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210183 [0,2,0,0,0,0|1,0,1]=4 18938 B12R0.95 CCCCC(=O)NCCCC(=O)N 527a_100000739312_100000210183 [0,2,0,0,0,0|1,0,1]=4 18939 B12R0.95 CCCCC(C)COCCC(=O)C 7a_100011995851_100000053229 [0,2,0,0,0,0|1,0,0]=3 18940 B12R0.95 CCCCC(C)COCCC(=O)N 34a_100011995851_100000731001 [0,2,0,0,0,0|1,0,0]=3 18941 B12R0.95 CCCCC(C)COCCC(=O)N 7a_100011995851_100000744528 [0,2,0,0,0,0|1,0,0]=3 18942 B12R0.95 CCCCC(C)COCOC(=O)C 34a_100011995851_100009813279 [0,2,0,0,0,0|2,0,0]=4 18943 B12R0.95 CCCCC(C)NCCCC(=O)N 34a_100000739312_200011215066 [0,2,0,0,0,0|1,0,0]=3 18944 B12R0.95 CCCCC(C)NCCCS(=O)C 2230a_200000753449_200011215066 [0,2,0,0,0,0|2,0,0]=4 18945 B12R0.95 CCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210087 [0,2,0,0,0,0|2,0,0]=4 18946 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000126638_100000189650 [0,2,0,0,0,0|2,0,0]=4 18947 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000209853_200011215066 [0,2,0,0,0,0|2,0,0]=4 18948 B12R0.95 CCCCC(C)NCCNC(=O)N 2230a_100000126638_200000034859 [0,2,0,0,0,0|2,0,0]=4 18949 B12R0.95 CCCCC(C)NCCNC(=O)N 34a_100020590234_200011215066 [0,2,0,0,0,0|2,0,0]=4 18950 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000687866_100000685027 [0,2,0,0,0,0|1,0,0]=3 18951 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000759063_200011215066 [0,2,0,0,0,0|1,0,0]=3 18952 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000687866_100011215641 [0,2,0,0,0,0|1,0,0]=3 18953 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000759063_200011215066 [0,2,0,0,0,0|1,0,0]=3 18954 B12R0.95 CCCCC(C)OCCCC(=O)N 34a_100000687866_100102525003 [0,2,0,0,0,0|1,0,0]=3 18955 B12R0.95 CCCCC(C)OCCCC(=O)N 7a_100000687866_100102525003 [0,2,0,0,0,0|1,0,0]=3 18956 B12R0.95 CCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_200011215066 [0,2,0,0,0,0|2,0,0]=4 18957 B12R0.95 CCCCC(C)OCCNC(=O)C 34a_100000158858_200011215066 [0,2,0,0,0,0|2,0,0]=4 18958 B12R0.95 CCCCC(C)OCCNC(=O)C 7a_100000687866_100000189650 [0,2,0,0,0,0|2,0,0]=4 18959 B12R0.95 CCCCC(C)OCCNC(=O)N 34a_100000181757_200011215066 [0,2,0,0,0,0|2,0,0]=4 18960 B12R0.95 CCCCC(C)OCCNC(=O)N 7a_100000687866_200000034859 [0,2,0,0,0,0|2,0,0]=4 18961 B12R0.95 CCCCC(C)OCCOC(=O)C 34a_100000687866_100009814007 [0,2,0,0,0,0|2,0,0]=4 18962 B12R0.95 CCCCC(C)OCCOC(=O)C 7a_100000687866_100009814007 [0,2,0,0,0,0|2,0,0]=4 18963 B12R0.95 CCCCC(C)OCCOC(=O)N 34a_100000687866_200011214921 [0,2,0,0,0,0|2,0,0]=4 18964 B12R0.95 CCCCC(C)OCCOC(=O)N 7a_100000687866_200011214921 [0,2,0,0,0,0|2,0,0]=4 18965 B12R0.95 CCCCC(C)OCCOC(=O)N 7a_100000766696_200011215066 [0,2,0,0,0,0|2,0,0]=4 18966 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_100011215641_200011215066 [0,2,0,0,0,0|1,0,0]=3 18967 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_200011215066_100011215641 [0,2,0,0,0,0|1,0,0]=3 18968 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_100102525003_200011215066 [0,2,0,0,0,0|1,0,0]=3 18969 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_200011215066_100102525003 [0,2,0,0,0,0|1,0,0]=3 18970 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_100000189650_200011215066 [0,2,0,0,0,0|2,0,0]=4 18971 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_200011215066_100000189650 [0,2,0,0,0,0|2,0,0]=4 18972 B12R0.95 CCCCC(C)SCCNC(=O)N 62a_200000034859_200011215066 [0,2,0,0,0,0|2,0,0]=4 18973 B12R0.95 CCCCC(C)SCCNC(=O)N 62a_200011215066_200000034859 [0,2,0,0,0,0|2,0,0]=4 18974 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_100009814007_200011215066 [0,2,0,0,0,0|2,0,0]=4 18975 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_200011215066_100009814007 [0,2,0,0,0,0|2,0,0]=4 18976 B12R0.95 CCCCC(C)SCCOC(=O)N 62a_200011214921_200011215066 [0,2,0,0,0,0|2,0,0]=4 18977 B12R0.95 CCCCC(C)SCCOC(=O)N 62a_200011215066_200011214921 [0,2,0,0,0,0|2,0,0]=4 18978 B12R0.95 CCCCN(C)CCCCC(=O)C 269982a_100000207549_100000735457 [0,2,0,0,0,0|1,0,0]=3 18979 B12R0.95 CCCCN(C)CCCOC(=O)C 269982a_100000207549_100000042594 [0,2,0,0,0,0|2,0,0]=4 18980 B12R0.95 CCCCN(C)CCCSC(=O)C 2230a_100000207549_100000038929 [0,2,0,0,0,0|2,0,0]=4 18981 B12R0.95 CCCCN(C)CCCSC(=O)C 269982a_100000207549_100000038929 [0,2,0,0,0,0|2,0,0]=4 18982 B12R0.95 CCCCN(C)CCOCC(=O)N 2230a_100000207549_100000076697 [0,2,0,0,0,0|2,0,0]=4 18983 B12R0.95 CCCCN(C)CCOCC(=O)N 269982a_100000207549_100000076697 [0,2,0,0,0,0|2,0,0]=4 18984 B12R0.95 CCCC[C@H](N)COCCC(=O)N 34a_100011934283_100000731001 [0,2,0,0,0,0|1,0,0]=3 18985 B12R0.95 CCCC[C@H](N)COCOC(=O)C 34a_100011934283_100009813279 [0,2,0,0,0,0|2,0,0]=4 18986 B12R0.95 CCCOC(C)CNCCC(=O)N 2230a_100015185124_100000744528 [0,2,0,0,0,0|2,0,0]=4 18987 B12R0.95 CCCOC(C)CNCCC(=O)N 34a_100015185124_100000731001 [0,2,0,0,0,0|2,0,0]=4 18988 B12R0.95 CCOCC(=O)CCCCC(=O)C 1458a_100000211967_100000735457 [0,2,0,0,0,0|1,0,1]=4 18989 B12R0.95 CCOCC(C)OCCCC(=O)C 34a_100000718985_100000685027 [0,2,0,0,0,0|2,0,0]=4 18990 B12R0.95 CCOCC(C)OCCCC(=O)C 7a_100000718985_100011215641 [0,2,0,0,0,0|2,0,0]=4 18991 B12R0.95 CCOCC(C)OCCCC(=O)N 34a_100000718985_100102525003 [0,2,0,0,0,0|2,0,0]=4 18992 B12R0.95 CCOCC(C)OCCCC(=O)N 7a_100000718985_100102525003 [0,2,0,0,0,0|2,0,0]=4 18993 B12R0.95 CCOCC(O)CNCCC(=O)N 2230a_102515437182_100000744528 [0,2,0,0,0,0|2,0,0]=4 18994 B12R0.95 CCOCC(O)CNCCC(=O)N 34a_102515437182_100000731001 [0,2,0,0,0,0|2,0,0]=4 18995 B12R0.95 CCSCC(=O)CCCCC(=O)C 1458a_100000230394_100000735457 [0,2,0,0,0,0|1,0,1]=4 18996 B12R0.95 COCCC(=O)CCCCC(=O)C 1458a_100000749529_100000735457 [0,2,0,0,0,0|1,0,1]=4 18997 B12R0.95 COCCN(C)CCCCC(=O)C 269982a_100000743101_100000735457 [0,2,0,0,0,0|2,0,0]=4 18998 B12R0.95 CSCCC(=O)CCCCC(=O)C 1458a_100000174002_100000735457 [0,2,0,0,0,0|1,0,1]=4 18999 B12R0.95 CSCCN(C)CCCCC(=O)C 269982a_100000686725_100000735457 [0,2,0,0,0,0|2,0,0]=4 19000 B12R0.95 CSCC[C@H](N)COCCC(=O)N 34a_100011827619_100000731001 [0,2,0,0,0,0|2,0,0]=4 19001 B12R0.95 C[C@H](CCCO)CNCCC(=O)N 2230a_100160569302_100000744528 [0,2,0,0,0,0|2,0,0]=4 19002 B12R0.95 C[C@H](CCCO)CNCCC(=O)N 34a_100160569302_100000731001 [0,2,0,0,0,0|2,0,0]=4 19003 B12R0.103 C=CCCC(C)NC(C)CCCC 270004a_100000126638_100000762624 [0,2,0,0,0,0|2,0,0]=4 19004 B12R0.103 C=CCCC(C)OC(C)CCCC 34a_100000765329_200011215066 [0,2,0,0,0,0|2,0,0]=4 19005 B12R0.103 C=CCCC(C)OC(C)CCCC 7a_100000765329_200011215066 [0,2,0,0,0,0|2,0,0]=4 19006 B12R0.111 C#CC(CCCC)OCCCC=C 34a_200011217967_100000757094 [0,2,0,0,0,0|2,0,0]=4 19007 B12R0.111 C#CC(CCCC)OCCCC=C 7a_200011217967_100000757094 [0,2,0,0,0,0|2,0,0]=4 19008 B12R0.111 C#CC(CCCC)OCCCC=O 7a_200011217967_200011292268 [0,2,0,0,0,0|1,0,0]=3 19009 B12R0.111 C#CC(CCCCCBr)OCC=O 34a_200010408556_200009817547 [0,2,0,0,0,0|2,0,0]=4 19010 B12R0.111 C#CC(CCCCCBr)OCC=O 7a_200010408556_200015260668 [0,2,0,0,0,0|2,0,0]=4 19011 B12R0.111 C=CC(CCCC)OCCCC=O 7a_200011215037_200011292268 [0,2,0,0,0,0|1,0,0]=3 19012 B12R0.111 C=CC(CCCCCC)OCC=O 34a_200011215977_200009817547 [0,2,0,0,0,0|1,0,0]=3 19013 B12R0.111 C=CC(CCCCCC)OCC=O 7a_200011215977_200015260668 [0,2,0,0,0,0|1,0,0]=3 19014 B12R0.111 C=CCCCCN(CC)CCCC 2230a_100000207695_100011215482 [0,2,0,0,0,0|2,0,0]=4 19015 B12R0.111 C=CCCCCN(CC)CCCC 269982a_100000207695_100011215482 [0,2,0,0,0,0|2,0,0]=4 19016 B12R0.111 C=CCCCNC(CC)CCCC 270004a_100000700776_100000753412 [0,2,0,0,0,0|2,0,0]=4 19017 B12R0.111 C=CCCCNC(CC)CCCC 34a_100000700776_200011216223 [0,2,0,0,0,0|2,0,0]=4 19018 B12R0.111 C=CCCCN[C@H](CO)CCCC 2230a_100011934283_100011713584 [0,2,0,0,0,0|2,0,0]=4 19019 B12R0.111 C=CCCCN[C@H](CO)CCCC 34a_100011934283_100000757094 [0,2,0,0,0,0|2,0,0]=4 19020 B12R0.111 C=CCCCOC(C=C)CCCC 34a_200011215037_100000757094 [0,2,0,0,0,0|2,0,0]=4 19021 B12R0.111 C=CCCCOC(C=C)CCCC 7a_200011215037_100000757094 [0,2,0,0,0,0|2,0,0]=4 19022 B12R0.111 C=CCCCOC(CC)CCCC 34a_100000758997_200011216223 [0,2,0,0,0,0|2,0,0]=4 19023 B12R0.111 C=CCCCOC(CC)CCCC 34a_100011215227_100000757094 [0,2,0,0,0,0|2,0,0]=4 19024 B12R0.111 C=CCCCOC(CC)CCCC 7a_100000758997_200011216223 [0,2,0,0,0,0|2,0,0]=4 19025 B12R0.111 C=CCCCOC(CC)CCCC 7a_100011215227_100000757094 [0,2,0,0,0,0|2,0,0]=4 19026 B12R0.111 C=CCCCSC(CC)CCCC 62a_100011713584_200011216223 [0,2,0,0,0,0|2,0,0]=4 19027 B12R0.111 C=CCCCSC(CC)CCCC 62a_200011216223_100000757094 [0,2,0,0,0,0|2,0,0]=4 19028 B12R0.111 C=CCCNCC(CC)CCCC 2230a_100000209976_100000754431 [0,2,0,0,0,0|2,0,0]=4 19029 B12R0.111 C=CCCNCC(CC)CCCC 2230a_100015191253_100000211942 [0,2,0,0,0,0|2,0,0]=4 19030 B12R0.111 C=CCCNCC(CC)CCCC 269862a_100015191253_100011219736 [0,2,0,0,0,0|2,0,0]=4 19031 B12R0.111 C=CCCNCC(CC)CCCC 270004a_100015191253_100011219736 [0,2,0,0,0,0|2,0,0]=4 19032 B12R0.111 C=CCCOCC(CC)CCCC 34a_100000210273_100000754431 [0,2,0,0,0,0|2,0,0]=4 19033 B12R0.111 C=CCCOCC(CC)CCCC 34a_100011205117_100000211942 [0,2,0,0,0,0|2,0,0]=4 19034 B12R0.111 C=CCCOCC(CC)CCCC 7a_100000210273_100000754431 [0,2,0,0,0,0|2,0,0]=4 19035 B12R0.111 C=CCCSCC(CC)CCCC 62a_100000211942_100000754431 [0,2,0,0,0,0|2,0,0]=4 19036 B12R0.111 C=CCCSCC(CC)CCCC 62a_100000754431_100000211942 [0,2,0,0,0,0|2,0,0]=4 19037 B12R0.111 C=CCNC(CC)CCCCCC 270004a_100020586998_100011219640 [0,2,0,0,0,0|2,0,0]=4 19038 B12R0.111 C=CCOC(C=C)CCCCCC 34a_200011215977_100015514636 [0,2,0,0,0,0|2,0,0]=4 19039 B12R0.111 C=CCOC(C=C)CCCCCC 7a_200011215977_100015514636 [0,2,0,0,0,0|2,0,0]=4 19040 B12R0.111 C=CCOC(CC)CCCCCC 34a_100011215785_100015514636 [0,2,0,0,0,0|2,0,0]=4 19041 B12R0.111 C=CCOC(CC)CCCCCC 7a_100011215785_100015514636 [0,2,0,0,0,0|2,0,0]=4 19042 B12R0.111 CCCCC(CC)CCCCNC 2230a_106832991635_200012094884 [0,2,0,0,0,0|2,0,0]=4 19043 B12R0.111 CCCCC(CC)CCCCNC 34a_100102657272_200012094884 [0,2,0,0,0,0|2,0,0]=4 19044 B12R0.111 CCCCC(CC)CCCCNC 7a_106832991635_200012094884 [0,2,0,0,0,0|2,0,0]=4 19045 B12R0.111 CCCCC(CC)CCCCOC 34a_100138415774_200012094884 [0,2,0,0,0,0|2,0,0]=4 19046 B12R0.111 CCCCC(CC)CCCCSC 62a_200000210301_200012094884 [0,2,0,0,0,0|2,0,0]=4 19047 B12R0.111 CCCCC(CC)CCCCSC 62a_200012094884_200000210301 [0,2,0,0,0,0|2,0,0]=4 19048 B12R0.111 CCCCC(CC)CCCCS[13CH3] 62a_200012094884_200025704644 [0,2,0,0,0,0|2,0,0]=4 19049 B12R0.111 CCCCC(CC)CCCCS[13CH3] 62a_200025704644_200012094884 [0,2,0,0,0,0|2,0,0]=4 19050 B12R0.111 CCCCC(CC)OCCCC=O 7a_100011215227_200011292268 [0,2,0,0,0,0|1,0,0]=3 19051 B12R0.111 CCCCC(CC)SCCCC=O 62a_200011216223_200011292268 [0,2,0,0,0,0|1,0,0]=3 19052 B12R0.111 CCCCC(CC)SCCCC=O 62a_200011292268_200011216223 [0,2,0,0,0,0|1,0,0]=3 19053 B12R0.111 CCCCCCC(CC)OCC=O 34a_100011215785_200009817547 [0,2,0,0,0,0|1,0,0]=3 19054 B12R0.111 CCCCCCC(CC)OCC=O 7a_100011215785_200015260668 [0,2,0,0,0,0|1,0,0]=3 19055 B12R0.111 CCCCCCC(CCCC)NC 270004a_106832991635_200011215745 [0,2,0,0,0,0|1,0,1]=4 19056 B12R0.111 CCCCCCC(CCCC)OC 34a_200011216055_200000210301 [0,2,0,0,0,0|1,0,1]=4 19057 B12R0.111 CCCCCCC(CCCC)OC 7a_200011216055_200000210301 [0,2,0,0,0,0|1,0,1]=4 19058 B12R0.111 CCCCCCC(CCCC)O[13CH3] 34a_200011216055_200025704644 [0,2,0,0,0,0|1,0,1]=4 19059 B12R0.111 CCCCCCC(CCCC)O[13CH3] 7a_200011216055_200025704644 [0,2,0,0,0,0|1,0,1]=4 19060 B12R0.111 CCCCN(CC)CCCCC=O 2230a_100000207695_100000139335 [0,2,0,0,0,0|1,0,0]=3 19061 B12R0.111 CCCCN(CC)CCCCC=O 269982a_100000207695_100000139335 [0,2,0,0,0,0|1,0,0]=3 19062 B12R0.111 CCCCN(CC)CCNCC=O 2230a_200011208488_200015260668 [0,2,0,0,0,0|2,0,0]=4 19063 B12R0.111 CCCC[C@@H](CO)NCCCC=O 2230a_100011934283_200011292268 [0,2,0,0,0,0|1,0,0]=3 19064 B12R0.111 CCN(CCCCC=O)CCOC 2230a_100000731262_100000139335 [0,2,0,0,0,0|2,0,0]=4 19065 B12R0.111 CCN(CCCCC=O)CCOC 269982a_100000731262_100000139335 [0,2,0,0,0,0|2,0,0]=4 19066 B12R0.111 CSCC[C@@H](CO)NCCCC=O 2230a_100011827619_200011292268 [0,2,0,0,0,0|2,0,0]=4 19067 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,2,0,0,0,0|1,0,1]=4 19068 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,2,0,0,0,0|1,0,1]=4 19069 B12R0.255 C=C(C)CCC(C)NCCCCC 270004a_100000209983_100011215600 [0,2,0,0,0,0|2,0,0]=4 19070 B12R0.255 C=C(C)CCN(C)CCCCCC 2230a_106256046315_100000730704 [0,2,0,0,0,0|2,0,0]=4 19071 B12R0.255 C=C(C)CCN(C)CCCCCC 269982a_106256046315_100000730704 [0,2,0,0,0,0|2,0,0]=4 19072 B12R0.255 C=C(C)CNC(C)CCCCCC 2230a_100000210919_100000748629 [0,2,0,0,0,0|2,0,0]=4 19073 B12R0.255 C=C(C)CNC(C)CCCCCC 34a_100000210919_100000748629 [0,2,0,0,0,0|2,0,0]=4 19074 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210245_100011215978 [0,2,0,0,0,0|2,0,0]=4 19075 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210265_100000748629 [0,2,0,0,0,0|2,0,0]=4 19076 B12R0.255 C=C(C)COC(C)CCCCCC 7a_100000210265_100000748629 [0,2,0,0,0,0|2,0,0]=4 19077 B12R0.255 C=C(C)CSC(C)CCCCCC 62a_100000748629_100011215978 [0,2,0,0,0,0|2,0,0]=4 19078 B12R0.255 C=C(C)CSC(C)CCCCCC 62a_100011215978_100000211660 [0,2,0,0,0,0|2,0,0]=4 19079 B12R0.255 C=C(F)CNC(C)CCCCCC 2230a_100000210919_100009893438 [0,2,0,0,0,0|2,0,0]=4 19080 B12R0.255 C=C(F)CNC(C)CCCCCC 34a_100000210919_100009893438 [0,2,0,0,0,0|2,0,0]=4 19081 B12R0.255 C=C(F)COC(C)CCCCCC 34a_100000210265_100009893438 [0,2,0,0,0,0|2,0,0]=4 19082 B12R0.255 C=C(F)COC(C)CCCCCC 34a_200010262243_100011215978 [0,2,0,0,0,0|2,0,0]=4 19083 B12R0.255 C=C(F)COC(C)CCCCCC 7a_100000210265_100000042424 [0,2,0,0,0,0|2,0,0]=4 19084 B12R0.255 C=C(F)CSC(C)CCCCCC 62a_100000042424_100011215978 [0,2,0,0,0,0|2,0,0]=4 19085 B12R0.255 C=C(F)CSC(C)CCCCCC 62a_100011215978_100000042424 [0,2,0,0,0,0|2,0,0]=4 19086 B12R0.255 C=CCCCCC(=O)CCC(C)C 1458a_100000181311_100011215482 [0,2,0,0,0,0|1,0,1]=4 19087 B12R0.255 C=CCCCCC(=O)CCC(C)C 1458a_100011215552_100000210312 [0,2,0,0,0,0|1,0,1]=4 19088 B12R0.255 C=CCCCCC(=O)CCC(C)O 1458a_100011215552_100012276601 [0,2,0,0,0,0|1,0,1]=4 19089 B12R0.255 C=CCCCCN(C)CCC(C)C 2230a_100000742789_100011215482 [0,2,0,0,0,0|2,0,0]=4 19090 B12R0.255 C=CCCCCN(C)CCC(C)C 2230a_100012000471_100000210312 [0,2,0,0,0,0|2,0,0]=4 19091 B12R0.255 C=CCCCCN(C)CCC(C)C 269982a_100000742789_100011215482 [0,2,0,0,0,0|2,0,0]=4 19092 B12R0.255 C=CCCCCN(C)CCC(C)C 269982a_100012000471_100000210312 [0,2,0,0,0,0|2,0,0]=4 19093 B12R0.255 C=CCCCCN(C)CCC(C)O 2230a_100012000471_100012276601 [0,2,0,0,0,0|2,0,0]=4 19094 B12R0.255 C=CCCCCN(C)CCC(C)O 269982a_100012000471_100012276601 [0,2,0,0,0,0|2,0,0]=4 19095 B12R0.255 C=CCCCNC(C)CCC(C)C 2230a_100000700776_100011261404 [0,2,0,0,0,0|2,0,0]=4 19096 B12R0.255 C=CCCCNC(C)CCC(C)C 2230a_100138410893_100011713584 [0,2,0,0,0,0|2,0,0]=4 19097 B12R0.255 C=CCCCNC(C)CCC(C)C 270004a_100000700776_100000210476 [0,2,0,0,0,0|2,0,0]=4 19098 B12R0.255 C=CCCCNC(C)CCC(C)C 34a_100000700776_100011261404 [0,2,0,0,0,0|2,0,0]=4 19099 B12R0.255 C=CCCCOC(C)CCC(C)C 34a_100000758997_100011261404 [0,2,0,0,0,0|2,0,0]=4 19100 B12R0.255 C=CCCCOC(C)CCC(C)C 34a_100011215350_100000757094 [0,2,0,0,0,0|2,0,0]=4 19101 B12R0.255 C=CCCCOC(C)CCC(C)C 7a_100011215350_100000757094 [0,2,0,0,0,0|2,0,0]=4 19102 B12R0.255 C=CCCCSC(C)CCC(C)C 62a_100011261404_100000757094 [0,2,0,0,0,0|2,0,0]=4 19103 B12R0.255 C=CCCCSC(C)CCC(C)C 62a_100011713584_100011261404 [0,2,0,0,0,0|2,0,0]=4 19104 B12R0.255 CC(=O)CCN(C)CCCCCO 269982a_100000722520_100000053229 [0,2,0,0,0,0|2,0,0]=4 19105 B12R0.255 CC(C)CCC(C)NCCCC=O 2230a_100138410893_200011292268 [0,2,0,0,0,0|1,0,0]=3 19106 B12R0.255 CC(C)CCC(C)OCCCC=O 7a_100011215350_200011292268 [0,2,0,0,0,0|1,0,0]=3 19107 B12R0.255 CC(C)CCC(C)SCCCC=O 62a_100011261404_200011292268 [0,2,0,0,0,0|1,0,0]=3 19108 B12R0.255 CC(C)CCC(C)SCCCC=O 62a_200011292268_100011261404 [0,2,0,0,0,0|1,0,0]=3 19109 B12R0.255 CC(C)CCN(C)CCCCC=O 2230a_100000742789_100000139335 [0,2,0,0,0,0|1,0,0]=3 19110 B12R0.255 CC(C)CCN(C)CCCCC=O 269982a_100000742789_100000139335 [0,2,0,0,0,0|1,0,0]=3 19111 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,2,0,0,0,0|0,0,1]=3 19112 B12R0.255 CCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210757 [0,2,0,0,0,0|1,0,1]=4 19113 B12R0.255 CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210757 [0,2,0,0,0,0|1,0,1]=4 19114 B12R0.255 CCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210757 [0,2,0,0,0,0|1,0,1]=4 19115 B12R0.255 CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210757 [0,2,0,0,0,0|1,0,1]=4 19116 B12R0.255 CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210757 [0,2,0,0,0,0|1,0,1]=4 19117 B12R0.255 CCCCCCC(=O)NCC(=O)N 11a_100000711301_100102632555 [0,2,0,0,0,0|1,0,1]=4 19118 B12R0.255 CCCCCCC(=O)NCC(=O)N 240690a_100000711301_100102632555 [0,2,0,0,0,0|1,0,1]=4 19119 B12R0.255 CCCCCCC(=O)NCC(=O)N 527a_100000711301_100102632555 [0,2,0,0,0,0|1,0,1]=4 19120 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000210919_100000747473 [0,2,0,0,0,0|1,0,0]=3 19121 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000711301_100011215978 [0,2,0,0,0,0|1,0,0]=3 19122 B12R0.255 CCCCCCC(C)NCC(=O)N 34a_100000210919_100000187820 [0,2,0,0,0,0|1,0,0]=3 19123 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [0,2,0,0,0,0|1,0,0]=3 19124 B12R0.255 CCCCCCC(C)NCC(=O)[O-] 34a_100000210919_100020667443 [0,2,0,0,0,0|1,0,0]=3 19125 B12R0.255 CCCCCCC(C)NC[N+](=O)[O-] 34a_100000210919_100000761209 [0,2,0,0,0,0|2,0,0]=4 19126 B12R0.255 CCCCCCC(C)OCC(=O)C 34a_100000211253_100011215978 [0,2,0,0,0,0|1,0,0]=3 19127 B12R0.255 CCCCCCC(C)OCC(=O)N 34a_100000210265_100000187820 [0,2,0,0,0,0|1,0,0]=3 19128 B12R0.255 CCCCCCC(C)OCC(=O)N 7a_100000210265_100000187820 [0,2,0,0,0,0|1,0,0]=3 19129 B12R0.255 CCCCCCC(C)OCC(=O)[O-] 34a_100000210265_100020667443 [0,2,0,0,0,0|1,0,0]=3 19130 B12R0.255 CCCCCCC(C)OC[N+](=O)[O-] 34a_100000210265_100000761209 [0,2,0,0,0,0|2,0,0]=4 19131 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100000747473_100011215978 [0,2,0,0,0,0|1,0,0]=3 19132 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100011215978_100000747473 [0,2,0,0,0,0|1,0,0]=3 19133 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100011215978_100020667443 [0,2,0,0,0,0|1,0,0]=3 19134 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100020667443_100011215978 [0,2,0,0,0,0|1,0,0]=3 19135 B12R0.255 CCCCCCC(C)SC[N+](=O)[O-] 62a_100011215978_100000761209 [0,2,0,0,0,0|2,0,0]=4 19136 B12R0.255 CCCCCCN(C)CCC(=O)C 269982a_106256046315_100000053229 [0,2,0,0,0,0|1,0,0]=3 19137 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210314 [0,2,0,0,0,0|1,0,0]=3 19138 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_106256046315_100000744528 [0,2,0,0,0,0|1,0,0]=3 19139 B12R0.255 CCCCCCN(C)CCC(=O)N 269982a_106256046315_100000744528 [0,2,0,0,0,0|1,0,0]=3 19140 B12R0.255 CCCCCCN(C)COC(=O)C 269982a_106256046315_100000076356 [0,2,0,0,0,0|2,0,0]=4 19141 B12R0.255 CCCCCNC(=O)CCC(=O)N 240690a_100000209983_100011215257 [0,2,0,0,0,0|1,0,1]=4 19142 B12R0.255 CCCCCNC(=O)CCC(=O)N 527a_100000209983_100011215257 [0,2,0,0,0,0|1,0,1]=4 19143 B12R0.255 CCCCCNC(C)COC(=O)C 270004a_100000209983_100000000629 [0,2,0,0,0,0|2,0,0]=4 19144 B12R0.255 CCCCNCC(C)CSC(=O)C 2230a_100000102301_200000116872 [0,2,0,0,0,0|2,0,0]=4 19145 B12R0.255 CCCCNCC(C)CSC(=O)C 7a_106832991798_200000116872 [0,2,0,0,0,0|2,0,0]=4 19146 B12R0.255 CCCCNCC(O)COC(=O)C 7a_106832991798_200000139349 [0,2,0,0,0,0|2,0,0]=4 19147 B12R0.255 CCCCOCC(=O)CCC(=O)N 1458a_100011215257_100011995733 [0,2,0,0,0,0|1,0,1]=4 19148 B12R0.255 CCCCOCC(C)CSC(=O)C 34a_100000210227_200000116872 [0,2,0,0,0,0|2,0,0]=4 19149 B12R0.255 CCCCOCC(C)CSC(=O)C 7a_100000210227_200000116872 [0,2,0,0,0,0|2,0,0]=4 19150 B12R0.255 CCCCOCC(C)OCC(=O)N 34a_100011217071_100000187820 [0,2,0,0,0,0|2,0,0]=4 19151 B12R0.255 CCCCOCC(C)OCC(=O)N 7a_100011217071_100000187820 [0,2,0,0,0,0|2,0,0]=4 19152 B12R0.255 CCCCOCC(C)OCC(=O)[O-] 34a_100011217071_100020667443 [0,2,0,0,0,0|2,0,0]=4 19153 B12R0.255 CCCCOCC(O)COC(=O)C 34a_100000210227_200000139349 [0,2,0,0,0,0|2,0,0]=4 19154 B12R0.255 CCCCOCC(O)COC(=O)C 7a_100000210227_200000139349 [0,2,0,0,0,0|2,0,0]=4 19155 B12R0.255 CCCCOCN(C)CCC(=O)N 2230a_100000730477_100011995733 [0,2,0,0,0,0|2,0,0]=4 19156 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_100000210211_200000116872 [0,2,0,0,0,0|2,0,0]=4 19157 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_200000116872_100000210210 [0,2,0,0,0,0|2,0,0]=4 19158 B12R0.255 CCCCSCC(O)COC(=O)C 62a_100000210211_200000139349 [0,2,0,0,0,0|2,0,0]=4 19159 B12R0.255 CCCCSCC(O)COC(=O)C 62a_200000139349_100000210210 [0,2,0,0,0,0|2,0,0]=4 19160 B12R0.255 CCCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215938 [0,2,0,0,0,0|1,0,1]=4 19161 B12R0.255 CCCOCCN(C)CCC(=O)N 2230a_100000730477_100011215938 [0,2,0,0,0,0|2,0,0]=4 19162 B12R0.255 CCOCCCC(=O)CCC(=O)N 1458a_100011215257_100012232248 [0,2,0,0,0,0|1,0,1]=4 19163 B12R0.255 CCOCCCN(C)CCC(=O)N 2230a_100000730477_100012232248 [0,2,0,0,0,0|2,0,0]=4 19164 B12R0.255 CN(C)CCN(C)CCCCC=O 269982a_100000225618_100000139335 [0,2,0,0,0,0|2,0,0]=4 19165 B12R0.255 CN(CCCCCF)CCC(=O)N 2230a_100000730477_100000729378 [0,2,0,0,0,0|2,0,0]=4 19166 B12R0.255 CN(CCCCCO)CCC(=O)N 2230a_100000722520_100000744528 [0,2,0,0,0,0|2,0,0]=4 19167 B12R0.255 CN(CCCCCO)CCC(=O)N 2230a_100000730477_100000746330 [0,2,0,0,0,0|2,0,0]=4 19168 B12R0.255 CN(CCCCCO)CCC(=O)N 269982a_100000722520_100000744528 [0,2,0,0,0,0|2,0,0]=4 19169 B12R0.255 COCCCCC(=O)CCC(=O)N 1458a_100011215257_100000755781 [0,2,0,0,0,0|1,0,1]=4 19170 B12R0.255 COCCCCN(C)CCC(=O)N 2230a_100000730477_100000730899 [0,2,0,0,0,0|2,0,0]=4 19171 B12R0.255 NC(=O)CCC(=O)CCCCCF 1458a_100011215257_100000729378 [0,2,0,0,0,0|1,0,1]=4 19172 B12R0.255 NC(=O)CCC(=O)CCCCCO 1458a_100011215257_100000746330 [0,2,0,0,0,0|1,0,1]=4 19173 B12R0.585 C=CCCCOC(C)(C)CCCC 7a_100011219641_100000757094 [0,2,0,0,0,0|2,0,0]=4 19174 B12R0.585 C=CCCOCC(C)(C)CCCC 7a_200011995781_100000754431 [0,2,0,0,0,0|2,0,0]=4 19175 B12R0.585 C=CCOC(C)(C)CCCCCC 7a_200011995690_100015514636 [0,2,0,0,0,0|2,0,0]=4 19176 B12R0.585 CC(C)(CCCBr)OCCCC=O 7a_100009888830_200011292268 [0,2,0,0,0,0|2,0,0]=4 19177 B12R0.585 CC(C)(CCCCCBr)OCC=O 7a_100010402123_200015260668 [0,2,0,0,0,0|2,0,0]=4 19178 B12R0.585 CCCCC(C)(C)OCCCC=O 7a_100011219641_200011292268 [0,2,0,0,0,0|1,0,0]=3 19179 B12R0.585 CCCCCCC(C)(C)OCC=O 7a_200011995690_200015260668 [0,2,0,0,0,0|1,0,0]=3 19180 B12R0.648 C=CCCC(=O)C(C)CCCCC 1458a_100000749702_200011218191 [0,2,0,0,0,0|1,0,1]=4 19181 B12R0.648 C=CCCC(=O)C(C)CCCCC 1458a_100011215998_100000754431 [0,2,0,0,0,0|1,0,1]=4 19182 B12R0.648 C=CCCC(C)N(C)CCCCC 270004a_100000223495_100000762624 [0,2,0,0,0,0|2,0,0]=4 19183 B12R0.648 C=CCCCC(=O)C(C)CCCC 1458a_100000725509_100000757094 [0,2,0,0,0,0|1,0,1]=4 19184 B12R0.648 C=CCCCC(=O)C(C)CCCC 1458a_100000766728_200011215066 [0,2,0,0,0,0|1,0,1]=4 19185 B12R0.648 C=CCCCC(=O)C(O)CCCC 1458a_100000720857_100000757094 [0,2,0,0,0,0|1,0,1]=4 19186 B12R0.648 C=CCCN(C)C(C)CCCCC 2230a_100020639649_200011218191 [0,2,0,0,0,0|2,0,0]=4 19187 B12R0.648 C=CCCN(C)C(C)CCCCC 269982a_100020639649_200011218191 [0,2,0,0,0,0|2,0,0]=4 19188 B12R0.648 C=CCCN(C)C(C)CCCCC 270004a_100020639649_100000211708 [0,2,0,0,0,0|2,0,0]=4 19189 B12R0.117 C#CC(CCCCC)OCCC=C 34a_100011216489_100000754431 [0,2,0,0,0,0|2,0,0]=4 19190 B12R0.117 C#CC(CCCCC)OCCC=C 7a_100011216489_100000754431 [0,2,0,0,0,0|2,0,0]=4 19191 B12R0.117 C=CCCNC(CC)CCCCC 270004a_100015191253_100011215316 [0,2,0,0,0,0|2,0,0]=4 19192 B12R0.117 C=CCCOC(C=C)CCCCC 34a_100011216863_100000754431 [0,2,0,0,0,0|2,0,0]=4 19193 B12R0.117 C=CCCOC(C=C)CCCCC 7a_100011216863_100000754431 [0,2,0,0,0,0|2,0,0]=4 19194 B12R0.117 C=CCCOC(CC)CCCCC 34a_100011215405_100000754431 [0,2,0,0,0,0|2,0,0]=4 19195 B12R0.117 C=CCCOC(CC)CCCCC 7a_100011215405_100000754431 [0,2,0,0,0,0|2,0,0]=4 19196 B12R0.117 CCCCCC(CCCCC)NC 2230a_100000698210_200000210301 [0,2,0,0,0,0|1,0,1]=4 19197 B12R0.117 CCCCCC(CCCCC)NC 270004a_106832991635_100000211668 [0,2,0,0,0,0|1,0,1]=4 19198 B12R0.117 CCCCCC(CCCCC)NC 34a_100000698210_200000210301 [0,2,0,0,0,0|1,0,1]=4 19199 B12R0.117 CCCCCC(CCCCC)N[13CH3] 2230a_100000698210_200025704644 [0,2,0,0,0,0|1,0,1]=4 19200 B12R0.117 CCCCCC(CCCCC)N[13CH3] 34a_100000698210_200025704644 [0,2,0,0,0,0|1,0,1]=4 19201 B12R0.117 CCCCCC(CCCCC)OC 34a_200011216036_200000210301 [0,2,0,0,0,0|1,0,1]=4 19202 B12R0.117 CCCCCC(CCCCC)OC 7a_200011216036_200000210301 [0,2,0,0,0,0|1,0,1]=4 19203 B12R0.117 CCCCCC(CCCCC)O[13CH3] 34a_200011216036_200025704644 [0,2,0,0,0,0|1,0,1]=4 19204 B12R0.117 CCCCCC(CCCCC)O[13CH3] 7a_200011216036_200025704644 [0,2,0,0,0,0|1,0,1]=4 19205 B12R0.117 CCN(CCCC=O)CCCCO 2230a_100011217355_200011292268 [0,2,0,0,0,0|2,0,0]=4 19206 B12R0.117 CCN(CCCC=O)CCCCO 269982a_100011217355_200011292268 [0,2,0,0,0,0|2,0,0]=4 19207 B12R0.233 C=C(Br)CCOC(C)CCCCC 34a_100009813270_200011218191 [0,2,0,0,0,0|2,0,0]=4 19208 B12R0.233 C=C(C)CCNC(C)CCCCC 2230a_100000211957_100000730704 [0,2,0,0,0,0|2,0,0]=4 19209 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100000764851_200011218191 [0,2,0,0,0,0|2,0,0]=4 19210 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100011215632_100000730704 [0,2,0,0,0,0|2,0,0]=4 19211 B12R0.233 C=C(C)CCOC(C)CCCCC 7a_100011215632_100000730704 [0,2,0,0,0,0|2,0,0]=4 19212 B12R0.233 C=C(C)CCSC(C)CCCCC 62a_100000730704_200011218191 [0,2,0,0,0,0|2,0,0]=4 19213 B12R0.233 C=C(C)CCSC(C)CCCCC 62a_200011218191_100000730704 [0,2,0,0,0,0|2,0,0]=4 19214 B12R0.233 C=CCCCC(=O)CCCC(C)C 1458a_100000766728_100011214892 [0,2,0,0,0,0|1,0,1]=4 19215 B12R0.233 C=CCCCC(=O)CCCC(C)C 1458a_100011216857_100000757094 [0,2,0,0,0,0|1,0,1]=4 19216 B12R0.233 C=CCCCC(=O)CCCC(C)O 1458a_100000766728_200000718107 [0,2,0,0,0,0|1,0,1]=4 19217 B12R0.233 C=CCCNC(C)CCCC(C)C 2230a_100000210607_100000754431 [0,2,0,0,0,0|2,0,0]=4 19218 B12R0.233 C=CCCNC(C)CCCC(C)C 270004a_100015191253_100000753411 [0,2,0,0,0,0|2,0,0]=4 19219 B12R0.233 C=CCCOC(C)CCCC(C)C 34a_200011218570_100000754431 [0,2,0,0,0,0|2,0,0]=4 19220 B12R0.233 C=CCCOC(C)CCCC(C)C 7a_200011218570_100000754431 [0,2,0,0,0,0|2,0,0]=4 19221 B12R0.233 CC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215641 [0,2,0,0,0,0|1,0,1]=4 19222 B12R0.233 CC(=O)CCCN(C)CCCCO 269982a_100000717598_100011215641 [0,2,0,0,0,0|2,0,0]=4 19223 B12R0.233 CC(CCCC(=O)[O-])OCCCF 7a_100000761597_100011934791 [0,2,0,0,0,0|2,0,0]=4 19224 B12R0.233 CC(CCCC(=O)[O-])OCCCO 7a_100000761597_100011215043 [0,2,0,0,0,0|2,0,0]=4 19225 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,2,0,0,0,0|0,0,1]=3 19226 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [0,2,0,0,0,0|0,0,1]=3 19227 B12R0.233 CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210326 [0,2,0,0,0,0|1,0,1]=4 19228 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [0,2,0,0,0,0|1,0,1]=4 19229 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [0,2,0,0,0,0|1,0,1]=4 19230 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210326 [0,2,0,0,0,0|1,0,1]=4 19231 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000212188_200000034859 [0,2,0,0,0,0|1,0,1]=4 19232 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,2,0,0,0,0|1,0,1]=4 19233 B12R0.233 CCCCCC(=O)CCOC(=O)N 1458a_100000212188_200011214921 [0,2,0,0,0,0|1,0,1]=4 19234 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [0,2,0,0,0,0|1,0,1]=4 19235 B12R0.233 CCCCCC(=O)CNCC(=O)N 2230a_100000711301_200012276598 [0,2,0,0,0,0|1,0,1]=4 19236 B12R0.233 CCCCCC(=O)CNCC(=O)O 269956a_100016091260_200012276598 [0,2,0,0,0,0|1,0,1]=4 19237 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [0,2,0,0,0,0|1,0,1]=4 19238 B12R0.233 CCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210326 [0,2,0,0,0,0|1,0,1]=4 19239 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_100000747473_200012276598 [0,2,0,0,0,0|1,0,1]=4 19240 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_200012276598_100000747473 [0,2,0,0,0,0|1,0,1]=4 19241 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_100020667443_200012276598 [0,2,0,0,0,0|1,0,1]=4 19242 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_200012276598_100020667443 [0,2,0,0,0,0|1,0,1]=4 19243 B12R0.233 CCCCCC(=O)NCCC(=O)N 11a_100000740010_100000212188 [0,2,0,0,0,0|1,0,1]=4 19244 B12R0.233 CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000212188 [0,2,0,0,0,0|1,0,1]=4 19245 B12R0.233 CCCCCC(=O)NCCC(=O)N 527a_100000740010_100000212188 [0,2,0,0,0,0|1,0,1]=4 19246 B12R0.233 CCCCCC(C)NCCC(=O)N 2230a_100000211957_100000744528 [0,2,0,0,0,0|1,0,0]=3 19247 B12R0.233 CCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218191 [0,2,0,0,0,0|2,0,0]=4 19248 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [0,2,0,0,0,0|1,0,0]=3 19249 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [0,2,0,0,0,0|1,0,0]=3 19250 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [0,2,0,0,0,0|1,0,0]=3 19251 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100000757172_200011218191 [0,2,0,0,0,0|1,0,0]=3 19252 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100011215632_100000731001 [0,2,0,0,0,0|1,0,0]=3 19253 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100000757172_200011218191 [0,2,0,0,0,0|1,0,0]=3 19254 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100011215632_100000744528 [0,2,0,0,0,0|1,0,0]=3 19255 B12R0.233 CCCCCC(C)OCOC(=O)C 34a_100011215632_100009813279 [0,2,0,0,0,0|2,0,0]=4 19256 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_100000053229_200011218191 [0,2,0,0,0,0|1,0,0]=3 19257 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_200011218191_100000053229 [0,2,0,0,0,0|1,0,0]=3 19258 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_100000744528_200011218191 [0,2,0,0,0,0|1,0,0]=3 19259 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_200011218191_100000744528 [0,2,0,0,0,0|1,0,0]=3 19260 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_100000076356_200011218191 [0,2,0,0,0,0|2,0,0]=4 19261 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_200011218191_100000076356 [0,2,0,0,0,0|2,0,0]=4 19262 B12R0.233 CCCCCN(C)CCCC(=O)C 269982a_100000223495_100011215641 [0,2,0,0,0,0|1,0,0]=3 19263 B12R0.233 CCCCCN(C)CCCC(=O)N 269982a_100000223495_100102525003 [0,2,0,0,0,0|1,0,0]=3 19264 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [0,2,0,0,0,0|1,0,0]=3 19265 B12R0.233 CCCCCN(C)CCNC(=O)C 2230a_100000223495_100000189650 [0,2,0,0,0,0|2,0,0]=4 19266 B12R0.233 CCCCCN(C)CCNC(=O)C 269982a_100000223495_100000189650 [0,2,0,0,0,0|2,0,0]=4 19267 B12R0.233 CCCCCN(C)CCNC(=O)N 2230a_100000223495_200000034859 [0,2,0,0,0,0|2,0,0]=4 19268 B12R0.233 CCCCCN(C)CCNC(=O)N 269982a_100000223495_200000034859 [0,2,0,0,0,0|2,0,0]=4 19269 B12R0.233 CCCCCN(C)CCOC(=O)C 269982a_100000223495_100009814007 [0,2,0,0,0,0|2,0,0]=4 19270 B12R0.233 CCCCCN(C)CCOC(=O)N 269982a_100000223495_200011214921 [0,2,0,0,0,0|2,0,0]=4 19271 B12R0.233 CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210211 [0,2,0,0,0,0|1,0,0]=3 19272 B12R0.233 CCCOCC(=O)CCCC(=O)C 1458a_100000745993_100011215641 [0,2,0,0,0,0|1,0,1]=4 19273 B12R0.233 CCCOCC(=O)CCCC(=O)N 1458a_100000745993_100102525003 [0,2,0,0,0,0|1,0,1]=4 19274 B12R0.233 CCCSCC(=O)CCCC(=O)C 1458a_100000217233_100011215641 [0,2,0,0,0,0|1,0,1]=4 19275 B12R0.233 CCCSCC(=O)CCCC(=O)N 1458a_100000217233_100102525003 [0,2,0,0,0,0|1,0,1]=4 19276 B12R0.233 CCOCCC(=O)CCCC(=O)C 1458a_100000749530_100011215641 [0,2,0,0,0,0|1,0,1]=4 19277 B12R0.233 CCOCCC(=O)CCCC(=O)N 1458a_100000749530_100102525003 [0,2,0,0,0,0|1,0,1]=4 19278 B12R0.233 CCOCCN(C)CCCC(=O)O 269956a_100000719178_100000210147 [0,2,0,0,0,0|2,0,0]=4 19279 B12R0.233 CCSCCC(=O)CCCC(=O)C 1458a_100000230768_100011215641 [0,2,0,0,0,0|1,0,1]=4 19280 B12R0.233 CCSCCC(=O)CCCC(=O)N 1458a_100000230768_100102525003 [0,2,0,0,0,0|1,0,1]=4 19281 B12R0.233 CCSCCN(C)CCCC(=O)O 269956a_100000719178_100000757381 [0,2,0,0,0,0|2,0,0]=4 19282 B12R0.233 CN(C)CCCN(C)CCCC=O 269982a_100000225831_200011292268 [0,2,0,0,0,0|2,0,0]=4 19283 B12R0.233 CN(CCCCF)CCCC(=O)O 269956a_100000719178_100000729493 [0,2,0,0,0,0|2,0,0]=4 19284 B12R0.233 CN(CCCCO)CCCC(=O)N 269982a_100000717598_100102525003 [0,2,0,0,0,0|2,0,0]=4 19285 B12R0.233 CN(CCCCO)CCCC(=O)O 269956a_100000719178_100000210776 [0,2,0,0,0,0|2,0,0]=4 19286 B12R0.233 COCCCC(=O)CCCC(=O)C 1458a_100000741012_100011215641 [0,2,0,0,0,0|1,0,1]=4 19287 B12R0.233 COCCCC(=O)CCCC(=O)N 1458a_100000741012_100102525003 [0,2,0,0,0,0|1,0,1]=4 19288 B12R0.233 COCCCC(C)OCCC(=O)C 7a_200011539412_100000053229 [0,2,0,0,0,0|2,0,0]=4 19289 B12R0.233 COCCCC(C)OCCC(=O)N 34a_200011539412_100000731001 [0,2,0,0,0,0|2,0,0]=4 19290 B12R0.233 COCCCC(C)OCCC(=O)N 7a_200011539412_100000744528 [0,2,0,0,0,0|2,0,0]=4 19291 B12R0.233 COCCCN(C)CCCC(=O)C 269982a_100000224831_100011215641 [0,2,0,0,0,0|2,0,0]=4 19292 B12R0.233 COCCCN(C)CCCC(=O)N 269982a_100000224831_100102525003 [0,2,0,0,0,0|2,0,0]=4 19293 B12R0.233 COCCCN(C)CCCC(=O)O 269956a_100000719178_100000740836 [0,2,0,0,0,0|2,0,0]=4 19294 B12R0.233 COCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000233755 [0,2,0,0,0,0|2,0,0]=4 19295 B12R0.233 CSCCCC(=O)CCCC(=O)C 1458a_100000173376_100011215641 [0,2,0,0,0,0|1,0,1]=4 19296 B12R0.233 CSCCCC(=O)CCCC(=O)N 1458a_100000173376_100102525003 [0,2,0,0,0,0|1,0,1]=4 19297 B12R0.233 CSCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000212216 [0,2,0,0,0,0|2,0,0]=4 19298 B12R0.233 NC(=O)CCCC(=O)CCCCO 1458a_100000695505_100102525003 [0,2,0,0,0,0|1,0,1]=4 19299 B12R0.233 NCCCC[C@H](N)COCC(=O)N 34a_100016993712_100000187820 [0,2,0,0,0,0|2,0,0]=4 19300 B12R0.233 NCCCC[C@H](N)COCC(=O)[O-] 34a_100016993712_100020667443 [0,2,0,0,0,0|2,0,0]=4 19301 B12R0.119 C=CCCCCCCNC(C)(C)C 2230a_100000715429_100011215473 [0,2,0,0,0,0|2,0,0]=4 19302 B12R0.119 C=CCCCCCCOC(C)(C)C 34a_100015890283_100011215473 [0,2,0,0,0,0|2,0,0]=4 19303 B12R0.119 C=CCCCCCCOC(C)(C)C 34a_200011216477_100000210625 [0,2,0,0,0,0|2,0,0]=4 19304 B12R0.119 C=CCCCCCCOC(C)(C)C 7a_100015890283_100011215473 [0,2,0,0,0,0|2,0,0]=4 19305 B12R0.119 C=CCCCCCCSC(C)(C)C 62a_100000211941_100011215473 [0,2,0,0,0,0|2,0,0]=4 19306 B12R0.119 C=CCCCCCCSC(C)(C)C 62a_100011215473_100000211941 [0,2,0,0,0,0|2,0,0]=4 19307 B12R0.119 C=CCCCCCNCC(C)(C)C 2230a_100000743828_100000700193 [0,2,0,0,0,0|2,0,0]=4 19308 B12R0.119 C=CCCCCCNCC(C)(C)F 2230a_100020643315_100000700193 [0,2,0,0,0,0|2,0,0]=4 19309 B12R0.119 C=CCCCCCNCC(C)(C)O 2230a_100000751335_100000700193 [0,2,0,0,0,0|2,0,0]=4 19310 B12R0.119 C=CCCCCCOCC(C)(C)C 34a_100011216702_100011219605 [0,2,0,0,0,0|2,0,0]=4 19311 B12R0.119 C=CCCCCCOCC(C)(C)F 34a_100000716592_100000700193 [0,2,0,0,0,0|2,0,0]=4 19312 B12R0.119 C=CCCCCCOCC(C)(C)F 34a_100011216702_100011997219 [0,2,0,0,0,0|2,0,0]=4 19313 B12R0.119 C=CCCCCCOCC(C)(C)O 34a_100011216702_100000764493 [0,2,0,0,0,0|2,0,0]=4 19314 B12R0.119 C=CCCCCCOCC(C)(C)O 7a_100011216702_100000764493 [0,2,0,0,0,0|2,0,0]=4 19315 B12R0.119 C=CCCCCCOCC(C)(F)F 34a_100000068830_100000700193 [0,2,0,0,0,0|2,0,0]=4 19316 B12R0.119 C=CCCCCCSCC(C)(C)C 62a_100000700193_100011219605 [0,2,0,0,0,0|2,0,0]=4 19317 B12R0.119 C=CCCCCCSCC(C)(C)C 62a_100011219605_100000700193 [0,2,0,0,0,0|2,0,0]=4 19318 B12R0.119 C=CCCCCCSCC(C)(C)F 62a_100000700193_100011997219 [0,2,0,0,0,0|2,0,0]=4 19319 B12R0.119 C=CCCCCCSCC(C)(C)F 62a_100011997219_100000700193 [0,2,0,0,0,0|2,0,0]=4 19320 B12R0.119 C=CCCCCCSCC(C)(C)O 62a_100000700193_100000764493 [0,2,0,0,0,0|2,0,0]=4 19321 B12R0.119 C=CCCCCCSCC(C)(C)O 62a_100000764493_100000700193 [0,2,0,0,0,0|2,0,0]=4 19322 B12R0.119 C=CCCCCNCCC(C)(C)C 2230a_100000703577_100000755188 [0,2,0,0,0,0|2,0,0]=4 19323 B12R0.119 C=CCCCCNCCC(C)(C)C 2230a_100000738805_100011215482 [0,2,0,0,0,0|2,0,0]=4 19324 B12R0.119 C=CCCCCNCCC(C)(C)C 34a_100000703577_100000755188 [0,2,0,0,0,0|2,0,0]=4 19325 B12R0.119 C=CCCCCNCCC(C)(C)F 2230a_100016253952_100011215482 [0,2,0,0,0,0|2,0,0]=4 19326 B12R0.119 C=CCCCCNCCC(C)(C)O 2230a_100000703577_100000702414 [0,2,0,0,0,0|2,0,0]=4 19327 B12R0.119 C=CCCCCNCCC(C)(C)O 34a_100000703577_100000702414 [0,2,0,0,0,0|2,0,0]=4 19328 B12R0.119 C=CCCCCOCCC(C)(C)C 34a_100000766645_100000755188 [0,2,0,0,0,0|2,0,0]=4 19329 B12R0.119 C=CCCCCOCCC(C)(C)C 7a_100000765024_100011215482 [0,2,0,0,0,0|2,0,0]=4 19330 B12R0.119 C=CCCCCOCCC(C)(C)C 7a_100000766645_100000755188 [0,2,0,0,0,0|2,0,0]=4 19331 B12R0.119 C=CCCCCOCCC(C)(C)O 34a_100000766645_100000702414 [0,2,0,0,0,0|2,0,0]=4 19332 B12R0.119 C=CCCCCOCCC(C)(C)O 7a_100000766645_100000702414 [0,2,0,0,0,0|2,0,0]=4 19333 B12R0.119 C=CCCCCSCCC(C)(C)C 62a_100000755188_100011215482 [0,2,0,0,0,0|2,0,0]=4 19334 B12R0.119 C=CCCCCSCCC(C)(C)C 62a_100011215482_100000755188 [0,2,0,0,0,0|2,0,0]=4 19335 B12R0.119 C=CCCCCSCCC(C)(C)O 62a_100000702414_100011215482 [0,2,0,0,0,0|2,0,0]=4 19336 B12R0.119 C=CCCCCSCCC(C)(C)O 62a_100011215482_100000702414 [0,2,0,0,0,0|2,0,0]=4 19337 B12R0.119 C=CCCCNCCCC(C)(C)O 2230a_100000700776_100009888830 [0,2,0,0,0,0|2,0,0]=4 19338 B12R0.119 C=CCCCNCCCC(C)(C)O 34a_100000700776_100009888830 [0,2,0,0,0,0|2,0,0]=4 19339 B12R0.119 C=CCCCOCCCC(C)(C)O 34a_100000758997_100009888830 [0,2,0,0,0,0|2,0,0]=4 19340 B12R0.119 C=CCCCOCCCC(C)(C)O 7a_100000758997_100009888830 [0,2,0,0,0,0|2,0,0]=4 19341 B12R0.119 C=CCCCSCCCC(C)(C)O 62a_100009888830_100000757094 [0,2,0,0,0,0|2,0,0]=4 19342 B12R0.119 C=CCCCSCCCC(C)(C)O 62a_100011713584_100009888830 [0,2,0,0,0,0|2,0,0]=4 19343 B12R0.119 C=CCNCCCCCC(C)(C)O 2230a_100020586998_100010402123 [0,2,0,0,0,0|2,0,0]=4 19344 B12R0.119 C=CCOCCCCCC(C)(C)O 34a_200000210373_100010402123 [0,2,0,0,0,0|2,0,0]=4 19345 B12R0.119 C=CCSCCCCCC(C)(C)O 62a_100000210623_100010402123 [0,2,0,0,0,0|2,0,0]=4 19346 B12R0.119 C=CCSCCCCCC(C)(C)O 62a_100010402123_100000210623 [0,2,0,0,0,0|2,0,0]=4 19347 B12R0.119 CC(C)(C)CCNCCCCC=O 2230a_100000738805_100000139335 [0,2,0,0,0,0|1,0,0]=3 19348 B12R0.119 CC(C)(C)CCOCCCCC=O 7a_100000765024_100000139335 [0,2,0,0,0,0|1,0,0]=3 19349 B12R0.119 CC(C)(C)CCSCCCCC=O 62a_100000139335_100000755188 [0,2,0,0,0,0|1,0,0]=3 19350 B12R0.119 CC(C)(C)CCSCCCCC=O 62a_100000755188_100000139335 [0,2,0,0,0,0|1,0,0]=3 19351 B12R0.119 CC(C)(C)CNCCCCCC=O 2230a_100000743828_100000139337 [0,2,0,0,0,0|1,0,0]=3 19352 B12R0.119 CC(C)(C)CSCCCCCC=O 62a_100000139337_100011219605 [0,2,0,0,0,0|1,0,0]=3 19353 B12R0.119 CC(C)(C)CSCCCCCC=O 62a_100011219605_100000139337 [0,2,0,0,0,0|1,0,0]=3 19354 B12R0.119 CC(C)(C)OCCNCCCC=O 2230a_100000747557_200011292268 [0,2,0,0,0,0|2,0,0]=4 19355 B12R0.119 CC(C)(C)OCCOCCCC=O 7a_100000693234_200011292268 [0,2,0,0,0,0|2,0,0]=4 19356 B12R0.119 CC(C)(C)SCCNCCCC=O 2230a_100000689375_200011292268 [0,2,0,0,0,0|2,0,0]=4 19357 B12R0.119 CC(C)(F)CCNCCCCC=O 2230a_100016253952_100000139335 [0,2,0,0,0,0|1,0,0]=3 19358 B12R0.119 CC(C)(F)CNCCCCCC=O 2230a_100020643315_100000139337 [0,2,0,0,0,0|1,0,0]=3 19359 B12R0.119 CC(C)(F)CSCCCCCC=O 62a_100000139337_100011997219 [0,2,0,0,0,0|1,0,0]=3 19360 B12R0.119 CC(C)(F)CSCCCCCC=O 62a_100011997219_100000139337 [0,2,0,0,0,0|1,0,0]=3 19361 B12R0.119 CC(C)(O)CCCCCSCC=O 62a_100010402123_200015260668 [0,2,0,0,0,0|1,0,0]=3 19362 B12R0.119 CC(C)(O)CCCCCSCC=O 62a_200015260668_100010402123 [0,2,0,0,0,0|1,0,0]=3 19363 B12R0.119 CC(C)(O)CCCSCCCC=O 62a_100009888830_200011292268 [0,2,0,0,0,0|1,0,0]=3 19364 B12R0.119 CC(C)(O)CCCSCCCC=O 62a_200011292268_100009888830 [0,2,0,0,0,0|1,0,0]=3 19365 B12R0.119 CC(C)(O)CCSCCCCC=O 62a_100000139335_100000702414 [0,2,0,0,0,0|1,0,0]=3 19366 B12R0.119 CC(C)(O)CCSCCCCC=O 62a_100000702414_100000139335 [0,2,0,0,0,0|1,0,0]=3 19367 B12R0.119 CC(C)(O)CNCCCCCC=O 2230a_100000751335_100000139337 [0,2,0,0,0,0|1,0,0]=3 19368 B12R0.119 CC(C)(O)CSCCCCCC=O 62a_100000139337_100000764493 [0,2,0,0,0,0|1,0,0]=3 19369 B12R0.119 CC(C)(O)CSCCCCCC=O 62a_100000764493_100000139337 [0,2,0,0,0,0|1,0,0]=3 19370 B12R0.119 CCCCCCCCNS(=O)(=O)C 40a_100000229939_100000738038 [0,2,0,0,0,0|2,0,0]=4 19371 B12R0.119 CCCCCCCOCS(=O)(=O)[O-] 34a_100000210272_100009817235 [0,2,0,0,0,0|2,0,0]=4 19372 B12R0.119 CCCCCCCSCS(=O)(=O)N 62a_100000210614_100000741382 [0,2,0,0,0,0|2,0,0]=4 19373 B12R0.119 CCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210316 [0,2,0,0,0,0|2,0,0]=4 19374 B12R0.119 CCCCCCCSCS(=O)(=O)[O-] 62a_100000210614_100009817235 [0,2,0,0,0,0|2,0,0]=4 19375 B12R0.119 CCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210316 [0,2,0,0,0,0|2,0,0]=4 19376 B12R0.119 CCCCCCNCCS(=O)(=O)C 2230a_100000210581_100000731031 [0,2,0,0,0,0|2,0,0]=4 19377 B12R0.119 CCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210314 [0,2,0,0,0,0|2,0,0]=4 19378 B12R0.119 CCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210314 [0,2,0,0,0,0|2,0,0]=4 19379 B12R0.119 CCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210314 [0,2,0,0,0,0|2,0,0]=4 19380 B12R0.119 CCCCCCNCCS(=O)(=O)N 34a_100000738205_100000210314 [0,2,0,0,0,0|2,0,0]=4 19381 B12R0.119 CCCCCCNCCS(=O)(=O)[O-] 2230a_100000210581_100000737633 [0,2,0,0,0,0|2,0,0]=4 19382 B12R0.119 CCCCCCOCCS(=O)(=O)C 34a_100000210259_100000731031 [0,2,0,0,0,0|2,0,0]=4 19383 B12R0.119 CCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210314 [0,2,0,0,0,0|2,0,0]=4 19384 B12R0.119 CCCCCCOCCS(=O)(=O)C 7a_100000210259_100000230027 [0,2,0,0,0,0|2,0,0]=4 19385 B12R0.119 CCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210314 [0,2,0,0,0,0|2,0,0]=4 19386 B12R0.119 CCCCCCOCCS(=O)(=O)N 34a_100012334274_100000210314 [0,2,0,0,0,0|2,0,0]=4 19387 B12R0.119 CCCCCCOCCS(=O)(=O)[O-] 34a_100000210259_100000762736 [0,2,0,0,0,0|2,0,0]=4 19388 B12R0.119 CCCCCCSCCS(=O)(=O)C 62a_100000210314_100000230027 [0,2,0,0,0,0|2,0,0]=4 19389 B12R0.119 CCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210757 [0,2,0,0,0,0|2,0,0]=4 19390 B12R0.119 CCCCCCSCCS(=O)(=O)[O-] 62a_100000210314_100000762736 [0,2,0,0,0,0|2,0,0]=4 19391 B12R0.119 CCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210757 [0,2,0,0,0,0|2,0,0]=4 19392 B12R0.119 CCCCCNCCCS(=O)(=O)C 2230a_100000209983_100000754308 [0,2,0,0,0,0|2,0,0]=4 19393 B12R0.119 CCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210326 [0,2,0,0,0,0|2,0,0]=4 19394 B12R0.119 CCCCCNCCCS(=O)(=O)C 34a_100000742409_100000718602 [0,2,0,0,0,0|2,0,0]=4 19395 B12R0.119 CCCCCNCCCS(=O)(=O)N 2230a_100000209983_100000750626 [0,2,0,0,0,0|2,0,0]=4 19396 B12R0.119 CCCCCOCCCS(=O)(=O)C 34a_100000210253_100000754308 [0,2,0,0,0,0|2,0,0]=4 19397 B12R0.119 CCCCCOCCCS(=O)(=O)C 34a_100000689940_100000718602 [0,2,0,0,0,0|2,0,0]=4 19398 B12R0.119 CCCCCOCCCS(=O)(=O)C 7a_100000210253_100000754308 [0,2,0,0,0,0|2,0,0]=4 19399 B12R0.119 CCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210326 [0,2,0,0,0,0|2,0,0]=4 19400 B12R0.119 CCCCCOCCCS(=O)(=O)N 34a_100000210253_100000750626 [0,2,0,0,0,0|2,0,0]=4 19401 B12R0.119 CCCCCOCCCS(=O)(=O)N 7a_100000210253_100000750626 [0,2,0,0,0,0|2,0,0]=4 19402 B12R0.119 CCCCCOCCCS(=O)(=O)[O-] 34a_100000210253_100009813499 [0,2,0,0,0,0|2,0,0]=4 19403 B12R0.119 CCCCCSCCCS(=O)(=O)C 62a_100000210326_100000754308 [0,2,0,0,0,0|2,0,0]=4 19404 B12R0.119 CCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210326 [0,2,0,0,0,0|2,0,0]=4 19405 B12R0.119 CCCCCSCCCS(=O)(=O)N 62a_100000210326_100000750626 [0,2,0,0,0,0|2,0,0]=4 19406 B12R0.119 CCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210326 [0,2,0,0,0,0|2,0,0]=4 19407 B12R0.119 CCCCCSCCCS(=O)(=O)[O-] 62a_100000210326_100009813499 [0,2,0,0,0,0|2,0,0]=4 19408 B12R0.119 CCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210326 [0,2,0,0,0,0|2,0,0]=4 19409 B12R0.119 CS(=O)(=O)CCCNCCCC=O 2230a_100000742409_200011292268 [0,2,0,0,0,0|2,0,0]=4 19410 B12R0.119 CS(=O)(=O)CCCOCCCC=O 7a_100000689940_200011292268 [0,2,0,0,0,0|2,0,0]=4 19411 B12R0.119 CS(=O)(=O)CCCSCCCC=O 62a_100000754308_200011292268 [0,2,0,0,0,0|2,0,0]=4 19412 B12R0.119 CS(=O)(=O)CCCSCCCC=O 62a_200011292268_100000754308 [0,2,0,0,0,0|2,0,0]=4 19413 B12R0.119 CS(=O)(=O)CCNCCCCC=O 2230a_100000740961_100000139335 [0,2,0,0,0,0|2,0,0]=4 19414 B12R0.119 CS(=O)(=O)CCOCCCCC=O 7a_100000211924_100000139335 [0,2,0,0,0,0|2,0,0]=4 19415 B12R0.119 CS(=O)(=O)CCSCCCCC=O 62a_100000139335_100000230027 [0,2,0,0,0,0|2,0,0]=4 19416 B12R0.119 CS(=O)(=O)CCSCCCCC=O 62a_100000731031_100000139335 [0,2,0,0,0,0|2,0,0]=4 19417 B12R0.119 C[N+](C)(C)CCCCCSCC=O 62a_100009813293_200015260668 [0,2,0,0,0,0|2,0,0]=4 19418 B12R0.119 C[N+](C)(C)CCCCCSCC=O 62a_200015260668_100009813293 [0,2,0,0,0,0|2,0,0]=4 19419 B12R0.119 C[N+](C)(C)CCCSCCCC=O 62a_100016990835_200011292268 [0,2,0,0,0,0|2,0,0]=4 19420 B12R0.119 C[N+](C)(C)CCCSCCCC=O 62a_200011292268_100016990835 [0,2,0,0,0,0|2,0,0]=4 19421 B12R0.119 C[N+](C)(C)CCOCCCCC=O 7a_200020618287_100000139335 [0,2,0,0,0,0|2,0,0]=4 19422 B12R0.119 C[N+](C)(C)CCSCCCCC=O 62a_100000085578_100000139335 [0,2,0,0,0,0|2,0,0]=4 19423 B12R0.119 C[N+](C)(C)CCSCCCCC=O 62a_100000139335_100000085578 [0,2,0,0,0,0|2,0,0]=4 19424 B12R0.119 C[N+](C)(C)CSCCCCCC=O 62a_100000139337_200000036245 [0,2,0,0,0,0|2,0,0]=4 19425 B12R0.119 C[N+](C)(C)CSCCCCCC=O 62a_200000036245_100000139337 [0,2,0,0,0,0|2,0,0]=4 19426 B12R0.119 C[Si](C)(C)CCCOCCCC=O 7a_200011215415_200011292268 [0,2,0,0,0,0|1,1,0]=4 19427 B12R0.119 C[Si](C)(C)CCCSCCCC=O 62a_100011219597_200011292268 [0,2,0,0,0,0|1,1,0]=4 19428 B12R0.119 C[Si](C)(C)CCCSCCCC=O 62a_200011292268_100011219597 [0,2,0,0,0,0|1,1,0]=4 19429 B12R0.119 C[Si](C)(C)CCOCCCCC=O 7a_100000039746_100000139335 [0,2,0,0,0,0|1,1,0]=4 19430 B12R0.119 C[Si](C)(C)CCSCCCCC=O 62a_100000139335_200000733723 [0,2,0,0,0,0|1,1,0]=4 19431 B12R0.119 C[Si](C)(C)CCSCCCCC=O 62a_200000733723_100000139335 [0,2,0,0,0,0|1,1,0]=4 19432 B12R0.119 C[Si](C)(C)CSCCCCCC=O 62a_100000037933_100000139337 [0,2,0,0,0,0|1,1,0]=4 19433 B12R0.119 C[Si](C)(C)CSCCCCCC=O 62a_100000139337_100000037933 [0,2,0,0,0,0|1,1,0]=4 19434 B12R0.119 O=CCCCCCSCC(F)(F)F 62a_100000139337_100000763148 [0,2,0,0,0,0|2,0,0]=4 19435 B12R0.119 O=CCCCCCSCC(F)(F)F 62a_100000763148_100000139337 [0,2,0,0,0,0|2,0,0]=4 19436 B12R0.119 O=CCCCCNCCC(F)(F)F 2230a_100000740434_100000139335 [0,2,0,0,0,0|2,0,0]=4 19437 B12R0.119 O=CCCCCSCCC(F)(F)F 62a_100000139335_100011219754 [0,2,0,0,0,0|2,0,0]=4 19438 B12R0.119 O=CCCCCSCCC(F)(F)F 62a_100011219754_100000139335 [0,2,0,0,0,0|2,0,0]=4 19439 B12R0.119 O=CCCCNCCCC(F)(F)F 2230a_100000727188_200011292268 [0,2,0,0,0,0|2,0,0]=4 19440 B12R0.119 O=CCCCSCCCC(F)(F)F 62a_100011216173_200011292268 [0,2,0,0,0,0|2,0,0]=4 19441 B12R0.119 O=CCCCSCCCC(F)(F)F 62a_200011292268_100011216173 [0,2,0,0,0,0|2,0,0]=4 19442 B12R0.119 O=CCSCCCCCC(F)(F)F 62a_100010187589_200015260668 [0,2,0,0,0,0|2,0,0]=4 19443 B12R0.119 O=CCSCCCCCC(F)(F)F 62a_200015260668_100010187589 [0,2,0,0,0,0|2,0,0]=4 19444 B12R0.268 C=C(Br)CCOCCCCC(C)C 34a_100009813270_100011216152 [0,2,0,0,0,0|2,0,0]=4 19445 B12R0.268 C=C(C)CCNCCCCC(=O)N 34a_100000696515_100000730704 [0,2,0,0,0,0|1,0,1]=4 19446 B12R0.268 C=C(C)CCOCCCCC(=O)C 34a_100000764851_100009817362 [0,2,0,0,0,0|1,0,1]=4 19447 B12R0.268 C=C(C)CCOCCCCC(=O)N 34a_100012022536_100000730704 [0,2,0,0,0,0|1,0,1]=4 19448 B12R0.268 C=C(C)CCOCCCCC(=O)N 7a_100012022536_100000730704 [0,2,0,0,0,0|1,0,1]=4 19449 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100000764851_100011216152 [0,2,0,0,0,0|2,0,0]=4 19450 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100011214890_100000730704 [0,2,0,0,0,0|2,0,0]=4 19451 B12R0.268 C=C(C)CCOCCCCC(C)C 7a_100011214890_100000730704 [0,2,0,0,0,0|2,0,0]=4 19452 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000730704_100000735457 [0,2,0,0,0,0|1,0,1]=4 19453 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000735457_100000730704 [0,2,0,0,0,0|1,0,1]=4 19454 B12R0.268 C=C(C)CCSCCCCC(C)C 62a_100000730704_100011216152 [0,2,0,0,0,0|2,0,0]=4 19455 B12R0.268 C=C(C)CCSCCCCC(C)C 62a_100011216152_100000730704 [0,2,0,0,0,0|2,0,0]=4 19456 B12R0.268 C=C(C)CNCCCCCC(C)C 2230a_100011290863_100000748629 [0,2,0,0,0,0|2,0,0]=4 19457 B12R0.268 C=C(C)CNCCCCCC(C)C 34a_100011290863_100000748629 [0,2,0,0,0,0|2,0,0]=4 19458 B12R0.268 C=C(C)COCCCCCC(=O)N 34a_100000123541_100000748629 [0,2,0,0,0,0|1,0,1]=4 19459 B12R0.268 C=C(C)COCCCCCC(=O)N 34a_100000210245_100009817443 [0,2,0,0,0,0|1,0,1]=4 19460 B12R0.268 C=C(C)COCCCCCC(=O)N 7a_100000123541_100000748629 [0,2,0,0,0,0|1,0,1]=4 19461 B12R0.268 C=C(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748629 [0,2,0,0,0,0|1,0,1]=4 19462 B12R0.268 C=C(C)COCCCCCC(C)C 34a_100000210245_100000210682 [0,2,0,0,0,0|2,0,0]=4 19463 B12R0.268 C=C(C)COCCCCCC(C)C 34a_100011995859_100000748629 [0,2,0,0,0,0|2,0,0]=4 19464 B12R0.268 C=C(C)COCCCCCC(C)C 7a_100011995859_100000748629 [0,2,0,0,0,0|2,0,0]=4 19465 B12R0.268 C=C(C)CSCCCCCC(=O)N 62a_100000748629_100009817443 [0,2,0,0,0,0|1,0,1]=4 19466 B12R0.268 C=C(C)CSCCCCCC(=O)N 62a_100009817443_100000211660 [0,2,0,0,0,0|1,0,1]=4 19467 B12R0.268 C=C(C)CSCCCCCC(C)C 62a_100000210682_100000211660 [0,2,0,0,0,0|2,0,0]=4 19468 B12R0.268 C=C(C)CSCCCCCC(C)C 62a_100000748629_100000210682 [0,2,0,0,0,0|2,0,0]=4 19469 B12R0.268 C=C(F)CNCCCCCC(C)C 2230a_100011290863_100009893438 [0,2,0,0,0,0|2,0,0]=4 19470 B12R0.268 C=C(F)CNCCCCCC(C)C 34a_100011290863_100009893438 [0,2,0,0,0,0|2,0,0]=4 19471 B12R0.268 C=C(F)COCCCCCC(C)C 34a_100011995859_100009893438 [0,2,0,0,0,0|2,0,0]=4 19472 B12R0.268 C=C(F)COCCCCCC(C)C 34a_200010262243_100000210682 [0,2,0,0,0,0|2,0,0]=4 19473 B12R0.268 C=C(F)COCCCCCC(C)C 7a_100011995859_100000042424 [0,2,0,0,0,0|2,0,0]=4 19474 B12R0.268 C=C(F)CSCCCCCC(C)C 62a_100000042424_100000210682 [0,2,0,0,0,0|2,0,0]=4 19475 B12R0.268 C=C(F)CSCCCCCC(C)C 62a_100000210682_100000042424 [0,2,0,0,0,0|2,0,0]=4 19476 B12R0.268 CC(=O)CCCCOCCC(=O)C 34a_100000759926_100009817362 [0,2,0,0,0,0|1,0,1]=4 19477 B12R0.268 CC(=O)CCCCOCCC(=O)C 7a_100000759926_100000735457 [0,2,0,0,0,0|1,0,1]=4 19478 B12R0.268 CC(=O)CCCCOCCC(=O)N 34a_100000757172_100009817362 [0,2,0,0,0,0|1,0,1]=4 19479 B12R0.268 CC(=O)CCCCOCCC(=O)N 7a_100000757172_100000735457 [0,2,0,0,0,0|1,0,1]=4 19480 B12R0.268 CC(=O)CCCCOCCC(C)Br 34a_100009893172_100009817362 [0,2,0,0,0,0|1,0,0]=3 19481 B12R0.268 CC(=O)CCCCOCCC(C)C 34a_100000210254_100009817362 [0,2,0,0,0,0|1,0,0]=3 19482 B12R0.268 CC(=O)CCCCOCCC(C)C 7a_100000210254_100000735457 [0,2,0,0,0,0|1,0,0]=3 19483 B12R0.268 CC(=O)CCCCOCCC(F)F 34a_100103093639_100009817362 [0,2,0,0,0,0|2,0,0]=4 19484 B12R0.268 CC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100009817362 [0,2,0,0,0,0|1,0,0]=3 19485 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000053229_100000735457 [0,2,0,0,0,0|1,0,1]=4 19486 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000735457_100000053229 [0,2,0,0,0,0|1,0,1]=4 19487 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000735457_100000744528 [0,2,0,0,0,0|1,0,1]=4 19488 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000744528_100000735457 [0,2,0,0,0,0|1,0,1]=4 19489 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000210312_100000735457 [0,2,0,0,0,0|1,0,0]=3 19490 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000735457_100000210312 [0,2,0,0,0,0|1,0,0]=3 19491 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100000735457_100012276601 [0,2,0,0,0,0|1,0,0]=3 19492 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100012276601_100000735457 [0,2,0,0,0,0|1,0,0]=3 19493 B12R0.268 CC(=O)CCCCSCCN(C)C 62a_100000735457_100000755713 [0,2,0,0,0,0|2,0,0]=4 19494 B12R0.268 CC(=O)CCCCSCOC(C)C 62a_100000709892_100000735457 [0,2,0,0,0,0|2,0,0]=4 19495 B12R0.268 CC(=O)CCCCSCOC(C)C 62a_100000735457_100000709892 [0,2,0,0,0,0|2,0,0]=4 19496 B12R0.268 CC(=O)CCCNCCCC(=O)N 34a_100000739312_100000685027 [0,2,0,0,0,0|1,0,1]=4 19497 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [0,2,0,0,0,0|1,0,0]=3 19498 B12R0.268 CC(=O)CCCNCCOC(C)C 34a_100000701111_100000685027 [0,2,0,0,0,0|2,0,0]=4 19499 B12R0.268 CC(=O)CCCNCCSC(C)C 34a_100000731138_100000685027 [0,2,0,0,0,0|2,0,0]=4 19500 B12R0.268 CC(=O)CCCOCCCC(=O)C 34a_100000759063_100000685027 [0,2,0,0,0,0|1,0,1]=4 19501 B12R0.268 CC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215641 [0,2,0,0,0,0|1,0,1]=4 19502 B12R0.268 CC(=O)CCCOCCCC(=O)N 34a_100000759063_100102525003 [0,2,0,0,0,0|1,0,1]=4 19503 B12R0.268 CC(=O)CCCOCCCC(=O)N 7a_100000759063_100102525003 [0,2,0,0,0,0|1,0,1]=4 19504 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [0,2,0,0,0,0|1,0,0]=3 19505 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [0,2,0,0,0,0|1,0,0]=3 19506 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [0,2,0,0,0,0|1,0,0]=3 19507 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [0,2,0,0,0,0|1,0,0]=3 19508 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [0,2,0,0,0,0|1,0,0]=3 19509 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [0,2,0,0,0,0|1,0,0]=3 19510 B12R0.268 CC(=O)CCCOCCCN(C)C 7a_100000759063_100000757444 [0,2,0,0,0,0|2,0,0]=4 19511 B12R0.268 CC(=O)CCCOCCNC(C)C 34a_100000224655_100000685027 [0,2,0,0,0,0|2,0,0]=4 19512 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000211219_100000685027 [0,2,0,0,0,0|2,0,0]=4 19513 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000759063_100000211751 [0,2,0,0,0,0|2,0,0]=4 19514 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000211219_100011215641 [0,2,0,0,0,0|2,0,0]=4 19515 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000759063_100000211751 [0,2,0,0,0,0|2,0,0]=4 19516 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_100000759063_100000730970 [0,2,0,0,0,0|2,0,0]=4 19517 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_200011212901_100000685027 [0,2,0,0,0,0|2,0,0]=4 19518 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_100000759063_100000730970 [0,2,0,0,0,0|2,0,0]=4 19519 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_200011212901_100011215641 [0,2,0,0,0,0|2,0,0]=4 19520 B12R0.268 CC(=O)CCCSCCCC(=O)C 62a_100011215641_100011215641 [0,2,0,0,0,0|1,0,1]=4 19521 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100011215641_100102525003 [0,2,0,0,0,0|1,0,1]=4 19522 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100102525003_100011215641 [0,2,0,0,0,0|1,0,1]=4 19523 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [0,2,0,0,0,0|1,0,0]=3 19524 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [0,2,0,0,0,0|1,0,0]=3 19525 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [0,2,0,0,0,0|1,0,0]=3 19526 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [0,2,0,0,0,0|1,0,0]=3 19527 B12R0.268 CC(=O)CCCSCCCN(C)C 62a_100011215641_100000757444 [0,2,0,0,0,0|2,0,0]=4 19528 B12R0.268 CC(=O)CCCSCCOC(C)C 62a_100000211751_100011215641 [0,2,0,0,0,0|2,0,0]=4 19529 B12R0.268 CC(=O)CCCSCCOC(C)C 62a_100011215641_100000211751 [0,2,0,0,0,0|2,0,0]=4 19530 B12R0.268 CC(=O)CCCSCCSC(C)C 62a_100000730970_100011215641 [0,2,0,0,0,0|2,0,0]=4 19531 B12R0.268 CC(=O)CCCSCCSC(C)C 62a_100011215641_100000730970 [0,2,0,0,0,0|2,0,0]=4 19532 B12R0.268 CC(=O)CCOCCCCC(=O)N 7a_100012022536_100000053229 [0,2,0,0,0,0|1,0,1]=4 19533 B12R0.268 CC(=O)CCOCCCCC(C)C 34a_100000759926_100011216152 [0,2,0,0,0,0|1,0,0]=3 19534 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100000759926_100011216152 [0,2,0,0,0,0|1,0,0]=3 19535 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100011214890_100000053229 [0,2,0,0,0,0|1,0,0]=3 19536 B12R0.268 CC(=O)CCOCCOCC(C)C 7a_100000703358_100000053229 [0,2,0,0,0,0|2,0,0]=4 19537 B12R0.268 CC(=O)CCOCCSCC(C)C 7a_200000230437_100000053229 [0,2,0,0,0,0|2,0,0]=4 19538 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100000053229_100011216152 [0,2,0,0,0,0|1,0,0]=3 19539 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100011216152_100000053229 [0,2,0,0,0,0|1,0,0]=3 19540 B12R0.268 CC(=O)CCSCCCCN(C)C 62a_100000053229_100000690147 [0,2,0,0,0,0|2,0,0]=4 19541 B12R0.268 CC(=O)COCCCCCC(=O)N 34a_100000211253_100009817443 [0,2,0,0,0,0|1,0,1]=4 19542 B12R0.268 CC(=O)COCCCCCC(C)C 34a_100000211253_100000210682 [0,2,0,0,0,0|1,0,0]=3 19543 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [0,2,0,0,0,0|1,0,0]=3 19544 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [0,2,0,0,0,0|1,0,0]=3 19545 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [0,2,0,0,0,0|1,0,0]=3 19546 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [0,2,0,0,0,0|1,0,0]=3 19547 B12R0.268 CC(=O)NCCCCCCN(C)C 240690a_200011233508_100015343762 [0,2,0,0,0,0|2,0,0]=4 19548 B12R0.268 CC(=O)NCCCCCNC(C)C 2230a_200012022750_100000210206 [0,2,0,0,0,0|2,0,0]=4 19549 B12R0.268 CC(=O)NCCCCCNC(C)C 34a_200012022750_100000210206 [0,2,0,0,0,0|2,0,0]=4 19550 B12R0.268 CC(=O)NCCCCNCC(C)C 2230a_200011368371_100000210760 [0,2,0,0,0,0|2,0,0]=4 19551 B12R0.268 CC(=O)NCCCCNCC(C)C 270004a_200011368371_100000210432 [0,2,0,0,0,0|2,0,0]=4 19552 B12R0.268 CC(=O)NCCCCNCC(C)C 34a_200011368371_100000210624 [0,2,0,0,0,0|2,0,0]=4 19553 B12R0.268 CC(=O)NCCCCNCC(C)O 2230a_200011368371_100011218427 [0,2,0,0,0,0|2,0,0]=4 19554 B12R0.268 CC(=O)NCCCCNCC(C)O 34a_200011368371_100011218427 [0,2,0,0,0,0|2,0,0]=4 19555 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 2230a_200011368371_100009817552 [0,2,0,0,0,0|2,0,0]=4 19556 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 34a_200011368371_100009817552 [0,2,0,0,0,0|2,0,0]=4 19557 B12R0.268 CC(=O)NCCCNCCC(C)C 269862a_100000736810_100000185833 [0,2,0,0,0,0|2,0,0]=4 19558 B12R0.268 CC(=O)NCCCNCCC(C)C 34a_100000736810_100000210312 [0,2,0,0,0,0|2,0,0]=4 19559 B12R0.268 CC(=O)NCCCNCCC(C)O 34a_100000736810_100012276601 [0,2,0,0,0,0|2,0,0]=4 19560 B12R0.268 CC(=O)NCCCOCCC(C)C 34a_100000752032_100000210312 [0,2,0,0,0,0|2,0,0]=4 19561 B12R0.268 CC(=O)NCCCOCCC(C)O 34a_100000752032_100012276601 [0,2,0,0,0,0|2,0,0]=4 19562 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_100000209853_100011214892 [0,2,0,0,0,0|2,0,0]=4 19563 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_200000737386_100000189650 [0,2,0,0,0,0|2,0,0]=4 19564 B12R0.268 CC(=O)NCCNCCCC(C)O 2230a_100000209853_200000718107 [0,2,0,0,0,0|2,0,0]=4 19565 B12R0.268 CC(=O)NCCOCCCC(C)C 34a_100000158858_100011214892 [0,2,0,0,0,0|2,0,0]=4 19566 B12R0.268 CC(=O)NCCOCCCC(C)C 7a_100000210774_100000189650 [0,2,0,0,0,0|2,0,0]=4 19567 B12R0.268 CC(=O)NCCOCCCC(C)O 34a_100000158858_200000718107 [0,2,0,0,0,0|2,0,0]=4 19568 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100000189650_100011214892 [0,2,0,0,0,0|2,0,0]=4 19569 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100011214892_100000189650 [0,2,0,0,0,0|2,0,0]=4 19570 B12R0.268 CC(=O)NCCSCCCC(C)O 62a_100000189650_200000718107 [0,2,0,0,0,0|2,0,0]=4 19571 B12R0.268 CC(=O)NCCSCCCC(C)O 62a_200000718107_100000189650 [0,2,0,0,0,0|2,0,0]=4 19572 B12R0.268 CC(=O)OCCCCCNC(C)C 2230a_100138425928_100009813381 [0,2,0,0,0,0|2,0,0]=4 19573 B12R0.268 CC(=O)OCCCCCNC(C)C 34a_100138425928_100000033007 [0,2,0,0,0,0|2,0,0]=4 19574 B12R0.268 CC(=O)OCCCCCOC(C)C 34a_100000212225_100000033007 [0,2,0,0,0,0|2,0,0]=4 19575 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000033007_100000210206 [0,2,0,0,0,0|2,0,0]=4 19576 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000210206_100000033007 [0,2,0,0,0,0|2,0,0]=4 19577 B12R0.268 CC(=O)OCCCCNCC(C)C 34a_100000210953_100000033659 [0,2,0,0,0,0|2,0,0]=4 19578 B12R0.268 CC(=O)OCCCCNCC(C)O 34a_100000210904_100000033659 [0,2,0,0,0,0|2,0,0]=4 19579 B12R0.268 CC(=O)OCCCCOCC(C)Br 34a_100012180447_100000033659 [0,2,0,0,0,0|2,0,0]=4 19580 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000073216_100000210624 [0,2,0,0,0,0|2,0,0]=4 19581 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000210257_100000033659 [0,2,0,0,0,0|2,0,0]=4 19582 B12R0.268 CC(=O)OCCCCOCC(C)C 7a_100000073216_100000210760 [0,2,0,0,0,0|2,0,0]=4 19583 B12R0.268 CC(=O)OCCCCOCC(C)F 34a_100015925927_100000033659 [0,2,0,0,0,0|2,0,0]=4 19584 B12R0.268 CC(=O)OCCCCOCC(C)O 34a_100000073216_100011218427 [0,2,0,0,0,0|2,0,0]=4 19585 B12R0.268 CC(=O)OCCCCOCC(C)O 7a_100000073216_100011218427 [0,2,0,0,0,0|2,0,0]=4 19586 B12R0.268 CC(=O)OCCCCOC[C@@H](C)Cl 34a_100016084084_100000033659 [0,2,0,0,0,0|2,0,0]=4 19587 B12R0.268 CC(=O)OCCCCOC[C@@H](C)N 34a_100000737577_100000033659 [0,2,0,0,0,0|2,0,0]=4 19588 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 34a_100000073216_100009817552 [0,2,0,0,0,0|2,0,0]=4 19589 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 7a_100000073216_100009817552 [0,2,0,0,0,0|2,0,0]=4 19590 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000033659_100000210760 [0,2,0,0,0,0|2,0,0]=4 19591 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000210624_100000033659 [0,2,0,0,0,0|2,0,0]=4 19592 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100000033659_100011218427 [0,2,0,0,0,0|2,0,0]=4 19593 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100011218427_100000033659 [0,2,0,0,0,0|2,0,0]=4 19594 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100000033659_100009817552 [0,2,0,0,0,0|2,0,0]=4 19595 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100009817552_100000033659 [0,2,0,0,0,0|2,0,0]=4 19596 B12R0.268 CC(=O)OCCCOCCC(C)Br 34a_100009893172_100000042594 [0,2,0,0,0,0|2,0,0]=4 19597 B12R0.268 CC(=O)OCCCOCCC(C)C 34a_100000210254_100000042594 [0,2,0,0,0,0|2,0,0]=4 19598 B12R0.268 CC(=O)OCCCOCCC(C)C 7a_100000210254_100000042594 [0,2,0,0,0,0|2,0,0]=4 19599 B12R0.268 CC(=O)OCCCOCC[C@@H](C)N 34a_100000706166_100000042594 [0,2,0,0,0,0|2,0,0]=4 19600 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000042594_100000210312 [0,2,0,0,0,0|2,0,0]=4 19601 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000210312_100000042594 [0,2,0,0,0,0|2,0,0]=4 19602 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100000042594_100012276601 [0,2,0,0,0,0|2,0,0]=4 19603 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100012276601_100000042594 [0,2,0,0,0,0|2,0,0]=4 19604 B12R0.268 CC(=O)OCCNCCCC(C)C 34a_200000737386_100009814007 [0,2,0,0,0,0|2,0,0]=4 19605 B12R0.268 CC(=O)OCCOCCCC(C)C 34a_100000210774_100009814007 [0,2,0,0,0,0|2,0,0]=4 19606 B12R0.268 CC(=O)OCCOCCCC(C)C 7a_100000210774_100009814007 [0,2,0,0,0,0|2,0,0]=4 19607 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100009814007_100011214892 [0,2,0,0,0,0|2,0,0]=4 19608 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100011214892_100009814007 [0,2,0,0,0,0|2,0,0]=4 19609 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_100009814007_200000718107 [0,2,0,0,0,0|2,0,0]=4 19610 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_200000718107_100009814007 [0,2,0,0,0,0|2,0,0]=4 19611 B12R0.268 CC(=O)OCOCCCCC(C)C 34a_100011214890_100009813279 [0,2,0,0,0,0|2,0,0]=4 19612 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100000076356_100011216152 [0,2,0,0,0,0|2,0,0]=4 19613 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100011216152_100000076356 [0,2,0,0,0,0|2,0,0]=4 19614 B12R0.268 CC(=O)SCCCCNCC(C)C 2230a_100000210953_200010402107 [0,2,0,0,0,0|2,0,0]=4 19615 B12R0.268 CC(=O)SCCCCNCC(C)C 34a_100000210953_200010402107 [0,2,0,0,0,0|2,0,0]=4 19616 B12R0.268 CC(=O)SCCCCNCC(C)O 2230a_100000210904_200010402107 [0,2,0,0,0,0|2,0,0]=4 19617 B12R0.268 CC(=O)SCCCCNCC(C)O 34a_100000210904_200010402107 [0,2,0,0,0,0|2,0,0]=4 19618 B12R0.268 CC(=O)SCCCCOCC(C)Br 34a_100012180447_200010402107 [0,2,0,0,0,0|2,0,0]=4 19619 B12R0.268 CC(=O)SCCCCOCC(C)C 34a_100000210257_200010402107 [0,2,0,0,0,0|2,0,0]=4 19620 B12R0.268 CC(=O)SCCCCOCC(C)F 34a_100015925927_200010402107 [0,2,0,0,0,0|2,0,0]=4 19621 B12R0.268 CC(=O)SCCCCOC[C@@H](C)Cl 34a_100016084084_200010402107 [0,2,0,0,0,0|2,0,0]=4 19622 B12R0.268 CC(=O)SCCCCOC[C@@H](C)N 34a_100000737577_200010402107 [0,2,0,0,0,0|2,0,0]=4 19623 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_100000210624_200010402107 [0,2,0,0,0,0|2,0,0]=4 19624 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_200010402107_100000210760 [0,2,0,0,0,0|2,0,0]=4 19625 B12R0.268 CC(=O)SCCCCSCC(C)O 62a_100011218427_200010402107 [0,2,0,0,0,0|2,0,0]=4 19626 B12R0.268 CC(=O)SCCCCSCC(C)O 62a_200010402107_100011218427 [0,2,0,0,0,0|2,0,0]=4 19627 B12R0.268 CC(=O)SCCCCSC[C@@H](C)O 62a_100009817552_200010402107 [0,2,0,0,0,0|2,0,0]=4 19628 B12R0.268 CC(=O)SCCCCSC[C@@H](C)O 62a_200010402107_100009817552 [0,2,0,0,0,0|2,0,0]=4 19629 B12R0.268 CC(=O)SCCCNCCC(C)O 2230a_200000755665_100000038929 [0,2,0,0,0,0|2,0,0]=4 19630 B12R0.268 CC(=O)SCCCOCCC(C)Br 34a_100009893172_100000038929 [0,2,0,0,0,0|2,0,0]=4 19631 B12R0.268 CC(=O)SCCCOCCC(C)C 34a_100000210254_100000038929 [0,2,0,0,0,0|2,0,0]=4 19632 B12R0.268 CC(=O)SCCCOCCC(C)C 7a_100000210254_100000038929 [0,2,0,0,0,0|2,0,0]=4 19633 B12R0.268 CC(=O)SCCCOCC[C@@H](C)N 34a_100000706166_100000038929 [0,2,0,0,0,0|2,0,0]=4 19634 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000038929_100000210312 [0,2,0,0,0,0|2,0,0]=4 19635 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000210312_100000038929 [0,2,0,0,0,0|2,0,0]=4 19636 B12R0.268 CC(=O)SCCCSCCC(C)O 62a_100000038929_100012276601 [0,2,0,0,0,0|2,0,0]=4 19637 B12R0.268 CC(=O)SCCCSCCC(C)O 62a_100012276601_100000038929 [0,2,0,0,0,0|2,0,0]=4 19638 B12R0.268 CC(Br)CCOCCOCC(=O)N 34a_100009893172_100000076697 [0,2,0,0,0,0|2,0,0]=4 19639 B12R0.268 CC(Br)COCCCCCC(=O)N 34a_100012180447_100009817443 [0,2,0,0,0,0|1,0,0]=3 19640 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100000711301_100000210682 [0,2,0,0,0,0|1,0,0]=3 19641 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100011290863_100000747473 [0,2,0,0,0,0|1,0,0]=3 19642 B12R0.268 CC(C)CCCCCNCC(=O)N 34a_100011290863_100000187820 [0,2,0,0,0,0|1,0,0]=3 19643 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [0,2,0,0,0,0|1,0,0]=3 19644 B12R0.268 CC(C)CCCCCNCC(=O)[O-] 34a_100011290863_100020667443 [0,2,0,0,0,0|1,0,0]=3 19645 B12R0.268 CC(C)CCCCCNC[N+](=O)[O-] 34a_100011290863_100000761209 [0,2,0,0,0,0|2,0,0]=4 19646 B12R0.268 CC(C)CCCCCOCC(=O)N 34a_100011995859_100000187820 [0,2,0,0,0,0|1,0,0]=3 19647 B12R0.268 CC(C)CCCCCOCC(=O)N 7a_100011995859_100000187820 [0,2,0,0,0,0|1,0,0]=3 19648 B12R0.268 CC(C)CCCCCOCC(=O)[O-] 34a_100011995859_100020667443 [0,2,0,0,0,0|1,0,0]=3 19649 B12R0.268 CC(C)CCCCCOC[N+](=O)[O-] 34a_100011995859_100000761209 [0,2,0,0,0,0|2,0,0]=4 19650 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000210682_100000747473 [0,2,0,0,0,0|1,0,0]=3 19651 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000747473_100000210682 [0,2,0,0,0,0|1,0,0]=3 19652 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100000210682_100020667443 [0,2,0,0,0,0|1,0,0]=3 19653 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100020667443_100000210682 [0,2,0,0,0,0|1,0,0]=3 19654 B12R0.268 CC(C)CCCCCSC[N+](=O)[O-] 62a_100000210682_100000761209 [0,2,0,0,0,0|2,0,0]=4 19655 B12R0.268 CC(C)CCCCNOCC(=O)O 269956a_100000106656_100011216152 [0,2,0,0,0,0|2,0,0]=4 19656 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100000757172_100011216152 [0,2,0,0,0,0|1,0,0]=3 19657 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100011214890_100000731001 [0,2,0,0,0,0|1,0,0]=3 19658 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100000757172_100011216152 [0,2,0,0,0,0|1,0,0]=3 19659 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100011214890_100000744528 [0,2,0,0,0,0|1,0,0]=3 19660 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100000744528_100011216152 [0,2,0,0,0,0|1,0,0]=3 19661 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100011216152_100000744528 [0,2,0,0,0,0|1,0,0]=3 19662 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_100000739312_100011214892 [0,2,0,0,0,0|1,0,0]=3 19663 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_200000737386_100102525003 [0,2,0,0,0,0|1,0,0]=3 19664 B12R0.268 CC(C)CCCNCCCS(=O)C 2230a_200000753449_100011214892 [0,2,0,0,0,0|2,0,0]=4 19665 B12R0.268 CC(C)CCCNCCNC(=O)N 2230a_200000737386_200000034859 [0,2,0,0,0,0|2,0,0]=4 19666 B12R0.268 CC(C)CCCNCCNC(=O)N 34a_100020590234_100011214892 [0,2,0,0,0,0|2,0,0]=4 19667 B12R0.268 CC(C)CCCNCCOC(=O)N 34a_200000737386_200011214921 [0,2,0,0,0,0|2,0,0]=4 19668 B12R0.268 CC(C)CCCOCCCC(=O)N 34a_100000210774_100102525003 [0,2,0,0,0,0|1,0,0]=3 19669 B12R0.268 CC(C)CCCOCCCC(=O)N 7a_100000210774_100102525003 [0,2,0,0,0,0|1,0,0]=3 19670 B12R0.268 CC(C)CCCOCCC[N+](=O)[O-] 34a_200000037920_100011214892 [0,2,0,0,0,0|2,0,0]=4 19671 B12R0.268 CC(C)CCCOCCNC(=O)N 34a_100000181757_100011214892 [0,2,0,0,0,0|2,0,0]=4 19672 B12R0.268 CC(C)CCCOCCNC(=O)N 7a_100000210774_200000034859 [0,2,0,0,0,0|2,0,0]=4 19673 B12R0.268 CC(C)CCCOCCOC(=O)N 34a_100000210774_200011214921 [0,2,0,0,0,0|2,0,0]=4 19674 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000210774_200011214921 [0,2,0,0,0,0|2,0,0]=4 19675 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000766696_100011214892 [0,2,0,0,0,0|2,0,0]=4 19676 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100011214892_100102525003 [0,2,0,0,0,0|1,0,0]=3 19677 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100102525003_100011214892 [0,2,0,0,0,0|1,0,0]=3 19678 B12R0.268 CC(C)CCCSCCNC(=O)N 62a_100011214892_200000034859 [0,2,0,0,0,0|2,0,0]=4 19679 B12R0.268 CC(C)CCCSCCNC(=O)N 62a_200000034859_100011214892 [0,2,0,0,0,0|2,0,0]=4 19680 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_100011214892_200011214921 [0,2,0,0,0,0|2,0,0]=4 19681 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_200011214921_100011214892 [0,2,0,0,0,0|2,0,0]=4 19682 B12R0.268 CC(C)CCNCCCCC(=O)N 269862a_100000696515_100000185833 [0,2,0,0,0,0|1,0,0]=3 19683 B12R0.268 CC(C)CCNCCCCC(=O)N 34a_100000696515_100000210312 [0,2,0,0,0,0|1,0,0]=3 19684 B12R0.268 CC(C)CCNCCOCC(=O)O 269956a_100000700818_100000210312 [0,2,0,0,0,0|2,0,0]=4 19685 B12R0.268 CC(C)CCOCCCCC(=O)N 34a_100012022536_100000210312 [0,2,0,0,0,0|1,0,0]=3 19686 B12R0.268 CC(C)CCOCCCCC(=O)N 7a_100012022536_100000210626 [0,2,0,0,0,0|1,0,0]=3 19687 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210312 [0,2,0,0,0,0|2,0,0]=4 19688 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210626 [0,2,0,0,0,0|2,0,0]=4 19689 B12R0.268 CC(C)CCOCCOCC(=O)N 34a_100000210254_100000076697 [0,2,0,0,0,0|2,0,0]=4 19690 B12R0.268 CC(C)CCOCCOCC(=O)N 7a_100000210254_100000076697 [0,2,0,0,0,0|2,0,0]=4 19691 B12R0.268 CC(C)CCSCCOCC(=O)N 62a_100000076697_100000210312 [0,2,0,0,0,0|2,0,0]=4 19692 B12R0.268 CC(C)CCSCCOCC(=O)N 62a_100000210312_100000076697 [0,2,0,0,0,0|2,0,0]=4 19693 B12R0.268 CC(C)CNCCCCCC(=O)N 2230a_100000210953_100009817443 [0,2,0,0,0,0|1,0,0]=3 19694 B12R0.268 CC(C)CNCCCCCC(=O)N 34a_100000210953_100009817443 [0,2,0,0,0,0|1,0,0]=3 19695 B12R0.268 CC(C)CNCCOCCC(=O)N 34a_100015185251_100000731001 [0,2,0,0,0,0|2,0,0]=4 19696 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000123541_100000210624 [0,2,0,0,0,0|1,0,0]=3 19697 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000210257_100009817443 [0,2,0,0,0,0|1,0,0]=3 19698 B12R0.268 CC(C)COCCCCCC(=O)N 7a_100000123541_100000210760 [0,2,0,0,0,0|1,0,0]=3 19699 B12R0.268 CC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000210760 [0,2,0,0,0,0|1,0,0]=3 19700 B12R0.268 CC(C)COCCCNCC(=O)N 2230a_100000205972_100000747473 [0,2,0,0,0,0|2,0,0]=4 19701 B12R0.268 CC(C)COCCCNCC(=O)N 34a_100000205972_100000187820 [0,2,0,0,0,0|2,0,0]=4 19702 B12R0.268 CC(C)COCCCNCC(=O)[O-] 34a_100000205972_100020667443 [0,2,0,0,0,0|2,0,0]=4 19703 B12R0.268 CC(C)COCCOCCC(=O)N 34a_100000703358_100000731001 [0,2,0,0,0,0|2,0,0]=4 19704 B12R0.268 CC(C)COCCOCCC(=O)N 7a_100000703358_100000744528 [0,2,0,0,0,0|2,0,0]=4 19705 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100000210624_100009817443 [0,2,0,0,0,0|1,0,0]=3 19706 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100009817443_100000210760 [0,2,0,0,0,0|1,0,0]=3 19707 B12R0.268 CC(C)CSCCOCCC(=O)N 34a_200000230437_100000731001 [0,2,0,0,0,0|2,0,0]=4 19708 B12R0.268 CC(C)CSCCOCCC(=O)N 7a_200000230437_100000744528 [0,2,0,0,0,0|2,0,0]=4 19709 B12R0.268 CC(C)NCCCCOCC(=O)N 34a_100011521146_100000187820 [0,2,0,0,0,0|2,0,0]=4 19710 B12R0.268 CC(C)NCCCCOCC(=O)[O-] 34a_100011521146_100020667443 [0,2,0,0,0,0|2,0,0]=4 19711 B12R0.268 CC(C)NCCCOCCC(=O)N 34a_100000182298_100000731001 [0,2,0,0,0,0|2,0,0]=4 19712 B12R0.268 CC(C)NCCOCCCC(=O)N 34a_100000224655_100102525003 [0,2,0,0,0,0|2,0,0]=4 19713 B12R0.268 CC(C)OCCCNCCC(=O)N 2230a_100000737246_100000744528 [0,2,0,0,0,0|2,0,0]=4 19714 B12R0.268 CC(C)OCCCNCCC(=O)N 34a_100000737246_100000731001 [0,2,0,0,0,0|2,0,0]=4 19715 B12R0.268 CC(C)OCCNCCCC(=O)N 34a_100000701111_100102525003 [0,2,0,0,0,0|2,0,0]=4 19716 B12R0.268 CC(C)OCCNCCCC(=O)N 34a_100000739312_100000211751 [0,2,0,0,0,0|2,0,0]=4 19717 B12R0.268 CC(C)OCCOCCCC(=O)N 34a_100000211219_100102525003 [0,2,0,0,0,0|2,0,0]=4 19718 B12R0.268 CC(C)OCCOCCCC(=O)N 7a_100000211219_100102525003 [0,2,0,0,0,0|2,0,0]=4 19719 B12R0.268 CC(C)OCCSCCCC(=O)N 62a_100000211751_100102525003 [0,2,0,0,0,0|2,0,0]=4 19720 B12R0.268 CC(C)OCCSCCCC(=O)N 62a_100102525003_100000211751 [0,2,0,0,0,0|2,0,0]=4 19721 B12R0.268 CC(C)OCNCCCCC(=O)N 34a_100000696515_100000709892 [0,2,0,0,0,0|2,0,0]=4 19722 B12R0.268 CC(C)OCOCCCCC(=O)N 34a_100012022536_100000709892 [0,2,0,0,0,0|2,0,0]=4 19723 B12R0.268 CC(C)SCCNCCCC(=O)N 34a_100000731138_100102525003 [0,2,0,0,0,0|2,0,0]=4 19724 B12R0.268 CC(C)SCCNCCCC(=O)N 34a_100000739312_100000730970 [0,2,0,0,0,0|2,0,0]=4 19725 B12R0.268 CC(C)SCCOCCCC(=O)N 34a_200011212901_100102525003 [0,2,0,0,0,0|2,0,0]=4 19726 B12R0.268 CC(C)SCCOCCCC(=O)N 7a_200011212901_100102525003 [0,2,0,0,0,0|2,0,0]=4 19727 B12R0.268 CC(C)SCCSCCCC(=O)N 62a_100000730970_100102525003 [0,2,0,0,0,0|2,0,0]=4 19728 B12R0.268 CC(C)SCCSCCCC(=O)N 62a_100102525003_100000730970 [0,2,0,0,0,0|2,0,0]=4 19729 B12R0.268 CC(F)COCCCCCC(=O)N 34a_100015925927_100009817443 [0,2,0,0,0,0|1,0,0]=3 19730 B12R0.268 CC(O)CCCNCCCC(=O)N 34a_100000739312_200000718107 [0,2,0,0,0,0|1,0,0]=3 19731 B12R0.268 CC(O)CCCNCCCS(=O)C 2230a_200000753449_200000718107 [0,2,0,0,0,0|2,0,0]=4 19732 B12R0.268 CC(O)CCCNCCNC(=O)N 34a_100020590234_200000718107 [0,2,0,0,0,0|2,0,0]=4 19733 B12R0.268 CC(O)CCCOCCC[N+](=O)[O-] 34a_200000037920_200000718107 [0,2,0,0,0,0|2,0,0]=4 19734 B12R0.268 CC(O)CCCOCCNC(=O)N 34a_100000181757_200000718107 [0,2,0,0,0,0|2,0,0]=4 19735 B12R0.268 CC(O)CCCOCCOC(=O)N 7a_100000766696_200000718107 [0,2,0,0,0,0|2,0,0]=4 19736 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_100102525003_200000718107 [0,2,0,0,0,0|1,0,0]=3 19737 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_200000718107_100102525003 [0,2,0,0,0,0|1,0,0]=3 19738 B12R0.268 CC(O)CCCSCCNC(=O)N 62a_200000034859_200000718107 [0,2,0,0,0,0|2,0,0]=4 19739 B12R0.268 CC(O)CCCSCCNC(=O)N 62a_200000718107_200000034859 [0,2,0,0,0,0|2,0,0]=4 19740 B12R0.268 CC(O)CCCSCCOC(=O)N 62a_200000718107_200011214921 [0,2,0,0,0,0|2,0,0]=4 19741 B12R0.268 CC(O)CCCSCCOC(=O)N 62a_200011214921_200000718107 [0,2,0,0,0,0|2,0,0]=4 19742 B12R0.268 CC(O)CCNCCCCC(=O)N 34a_100000696515_100012276601 [0,2,0,0,0,0|1,0,0]=3 19743 B12R0.268 CC(O)CCNCCOCC(=O)N 2230a_200000755665_100000076697 [0,2,0,0,0,0|2,0,0]=4 19744 B12R0.268 CC(O)CCNCCOCC(=O)O 269956a_100000700818_100012276601 [0,2,0,0,0,0|2,0,0]=4 19745 B12R0.268 CC(O)CCOCCCCC(=O)N 34a_100012022536_100012276601 [0,2,0,0,0,0|1,0,0]=3 19746 B12R0.268 CC(O)CCOCCCCC(=O)N 7a_100012022536_100012276601 [0,2,0,0,0,0|1,0,0]=3 19747 B12R0.268 CC(O)CCOCCCC[N+](=O)[O-] 34a_200015379883_100012276601 [0,2,0,0,0,0|2,0,0]=4 19748 B12R0.268 CC(O)CCOCCCC[N+](=O)[O-] 7a_200015379883_100012276601 [0,2,0,0,0,0|2,0,0]=4 19749 B12R0.268 CC(O)CCSCCOCC(=O)N 62a_100000076697_100012276601 [0,2,0,0,0,0|2,0,0]=4 19750 B12R0.268 CC(O)CCSCCOCC(=O)N 62a_100012276601_100000076697 [0,2,0,0,0,0|2,0,0]=4 19751 B12R0.268 CC(O)CNCCCCCC(=O)N 2230a_100000210904_100009817443 [0,2,0,0,0,0|1,0,0]=3 19752 B12R0.268 CC(O)CNCCCCCC(=O)N 34a_100000210904_100009817443 [0,2,0,0,0,0|1,0,0]=3 19753 B12R0.268 CC(O)COCCCCCC(=O)N 34a_100000123541_100011218427 [0,2,0,0,0,0|1,0,0]=3 19754 B12R0.268 CC(O)COCCCCCC(=O)N 7a_100000123541_100011218427 [0,2,0,0,0,0|1,0,0]=3 19755 B12R0.268 CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218427 [0,2,0,0,0,0|1,0,0]=3 19756 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100009817443_100011218427 [0,2,0,0,0,0|1,0,0]=3 19757 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100011218427_100009817443 [0,2,0,0,0,0|1,0,0]=3 19758 B12R0.268 CN(C)CCCCSCCC(=O)N 62a_100000744528_100000690147 [0,2,0,0,0,0|2,0,0]=4 19759 B12R0.268 CN(C)CCCSCCCC(=O)N 62a_100102525003_100000757444 [0,2,0,0,0,0|2,0,0]=4 19760 B12R0.268 CN(C)CCOCCCCC(=O)N 7a_100012022536_100000755713 [0,2,0,0,0,0|2,0,0]=4 19761 B12R0.268 C[C@@H](Cl)COCCCCCC(=O)N 34a_100016084084_100009817443 [0,2,0,0,0,0|1,0,0]=3 19762 B12R0.268 C[C@@H](N)CCOCCOCC(=O)N 34a_100000706166_100000076697 [0,2,0,0,0,0|2,0,0]=4 19763 B12R0.268 C[C@@H](N)COCCCCCC(=O)N 34a_100000737577_100009817443 [0,2,0,0,0,0|1,0,0]=3 19764 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 34a_100000123541_100009817552 [0,2,0,0,0,0|1,0,0]=3 19765 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 7a_100000123541_100009817552 [0,2,0,0,0,0|1,0,0]=3 19766 B12R0.268 C[C@@H](O)COCCCCCC(=O)[O-] 7a_100102619762_100009817552 [0,2,0,0,0,0|1,0,0]=3 19767 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817443_100009817552 [0,2,0,0,0,0|1,0,0]=3 19768 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817552_100009817443 [0,2,0,0,0,0|1,0,0]=3 19769 B12R0.268 NC(=O)CCCCCNCC(F)F 34a_100000765723_100009817443 [0,2,0,0,0,0|2,0,0]=4 19770 B12R0.268 NC(=O)CCCCCOCC(F)F 34a_100000123541_100011934356 [0,2,0,0,0,0|2,0,0]=4 19771 B12R0.268 NC(=O)CCCCCOCC(F)F 34a_100000743014_100009817443 [0,2,0,0,0,0|2,0,0]=4 19772 B12R0.268 NC(=O)CCCCCOCC(F)F 7a_100000123541_100011934356 [0,2,0,0,0,0|2,0,0]=4 19773 B12R0.268 NC(=O)CCCCCSCC(F)F 62a_100009817443_100011934356 [0,2,0,0,0,0|2,0,0]=4 19774 B12R0.268 NC(=O)CCCCCSCC(F)F 62a_100011934356_100009817443 [0,2,0,0,0,0|2,0,0]=4 19775 B12R0.268 O=C([O-])CCCCCOCC(F)F 7a_100102619762_100011934356 [0,2,0,0,0,0|2,0,0]=4 19776 B10R1.4 C=CCN1CCCCC1C 2230a_100000211376_100000210623 [1,0,0,1,0,0|1,0,1]=4 19777 B10R1.4 C=CCN1CCCCC1C 269982a_100000211376_100000210623 [1,0,0,1,0,0|1,0,1]=4 19778 B10R1.4 C=CCN1CCCCC1C 34a_100000211376_100015514636 [1,0,0,1,0,0|1,0,1]=4 19779 B10R1.4 CC1CCCCC1NCF 34a_100000211402_100015361967 [1,0,0,1,0,0|2,0,0]=4 19780 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [1,0,0,1,0,0|2,0,0]=4 19781 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [1,0,0,1,0,0|2,0,0]=4 19782 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [1,0,0,1,0,0|1,0,0]=3 19783 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [1,0,0,1,0,0|1,0,0]=3 19784 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [1,0,0,1,0,0|1,0,0]=3 19785 B10R1.4 CC1CCCCN1CCF 2230a_100000211376_100011217306 [1,0,0,1,0,0|2,0,0]=4 19786 B10R1.4 CC1CCCCN1CCF 269982a_100000211376_100011217306 [1,0,0,1,0,0|2,0,0]=4 19787 B10R1.4 CC1CCCCN1CCF 34a_100000211376_100011217306 [1,0,0,1,0,0|2,0,0]=4 19788 B10R1.4 CC1CCCCN1CCO 2230a_100000211376_100000211926 [1,0,0,1,0,0|1,0,1]=4 19789 B10R1.4 CC1CCCCN1CCO 269982a_100000211376_100000211926 [1,0,0,1,0,0|1,0,1]=4 19790 B10R1.4 CC1CCCCN1CCO 34a_100000211376_100000211926 [1,0,0,1,0,0|1,0,1]=4 19791 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 19792 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 19793 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 19794 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 19795 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 19796 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 19797 B10R1.4 CCCN1CCCCC1C 2230a_100000211376_100000210303 [1,0,0,1,0,0|1,0,1]=4 19798 B10R1.4 CCCN1CCCCC1C 269982a_100000211376_100000210303 [1,0,0,1,0,0|1,0,1]=4 19799 B10R1.4 CCCN1CCCCC1C 34a_100000211376_100000210303 [1,0,0,1,0,0|1,0,1]=4 19800 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [1,0,0,1,0,0|1,0,1]=4 19801 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [1,0,0,1,0,0|1,0,1]=4 19802 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [1,0,0,1,0,0|1,0,1]=4 19803 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [1,0,0,1,0,0|1,0,1]=4 19804 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [1,0,0,1,0,0|2,0,0]=4 19805 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [1,0,0,1,0,0|2,0,0]=4 19806 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [1,0,0,1,0,0|2,0,0]=4 19807 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210202 [1,0,0,1,0,0|2,0,0]=4 19808 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210202 [1,0,0,1,0,0|2,0,0]=4 19809 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [1,0,0,1,0,0|1,0,0]=3 19810 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [1,0,0,1,0,0|1,0,0]=3 19811 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [1,0,0,1,0,0|1,0,1]=4 19812 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [1,0,0,1,0,0|1,0,1]=4 19813 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [1,0,0,1,0,0|2,0,0]=4 19814 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [1,0,0,1,0,0|2,0,0]=4 19815 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [1,0,0,1,0,0|2,0,0]=4 19816 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [1,0,0,1,0,0|1,0,1]=4 19817 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [1,0,0,1,0,0|2,0,0]=4 19818 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [1,0,0,1,0,0|2,0,0]=4 19819 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [1,0,0,1,0,0|2,0,0]=4 19820 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [1,0,0,1,0,0|2,0,0]=4 19821 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [1,0,0,1,0,0|2,0,0]=4 19822 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [1,0,0,1,0,0|2,0,0]=4 19823 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [1,0,0,1,0,0|1,0,0]=3 19824 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [1,0,0,1,0,0|1,0,0]=3 19825 B10R1.4 CCSC1CCCCC1F 62a_100000210202_100015423560 [1,0,0,1,0,0|2,0,0]=4 19826 B10R1.4 CCSC1CCCCC1F 62a_100015423560_100000210202 [1,0,0,1,0,0|2,0,0]=4 19827 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [1,0,0,1,0,0|1,0,1]=4 19828 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [1,0,0,1,0,0|1,0,1]=4 19829 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [1,0,0,1,0,0|2,0,0]=4 19830 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [1,0,0,1,0,0|2,0,0]=4 19831 B10R1.4 CCSC1COCCC1=O 62a_100000210202_100012180262 [1,0,0,1,0,0|2,0,0]=4 19832 B10R1.4 CCSC1COCCC1=O 62a_100012180262_100000210202 [1,0,0,1,0,0|2,0,0]=4 19833 B10R1.4 CN1CCCCC1CCO 2230a_100000211664_200000210301 [1,0,0,1,0,0|1,0,1]=4 19834 B10R1.4 CN1CCCCC1CCO 269982a_100000211664_200000210301 [1,0,0,1,0,0|1,0,1]=4 19835 B10R1.4 CN1CCCCC1CCO 34a_100000211664_200000210301 [1,0,0,1,0,0|1,0,1]=4 19836 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [1,0,0,1,0,0|1,0,1]=4 19837 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [1,0,0,1,0,0|1,0,0]=3 19838 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [1,0,0,1,0,0|1,0,0]=3 19839 B10R1.4 C[C@H]1COCCN1CC=O 2230a_100009815349_200015260668 [1,0,0,1,0,0|2,0,0]=4 19840 B10R1.4 C[C@H]1COCCN1CC=O 269982a_100009815349_200015260668 [1,0,0,1,0,0|2,0,0]=4 19841 B10R1.4 C[C@H]1COCCN1CC=O 34a_100009815349_200009817547 [1,0,0,1,0,0|2,0,0]=4 19842 B10R1.4 O=C1CCCCC1OCF 34a_100011214950_100015361967 [1,0,0,1,0,0|2,0,0]=4 19843 B10R1.4 O=C1CCCCC1SCF 62a_100000204591_100015361967 [1,0,0,1,0,0|2,0,0]=4 19844 B10R1.4 O=C1CCCCC1SCF 62a_100015361967_100000204591 [1,0,0,1,0,0|2,0,0]=4 19845 B10R1.4 [13CH3]N1CCCCC1CCO 2230a_100000211664_200025704644 [1,0,0,1,0,0|1,0,1]=4 19846 B10R1.4 [13CH3]N1CCCCC1CCO 269982a_100000211664_200025704644 [1,0,0,1,0,0|1,0,1]=4 19847 B10R1.4 [13CH3]N1CCCCC1CCO 34a_100000211664_200025704644 [1,0,0,1,0,0|1,0,1]=4 19848 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [1,0,0,1,0,0|1,0,1]=4 19849 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [1,0,0,1,0,0|1,0,0]=3 19850 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [1,0,0,1,0,0|1,0,0]=3 19851 B10R1.5 C=CCN1CCCC1CC 2230a_100000754278_100000210623 [1,0,0,1,0,0|1,0,1]=4 19852 B10R1.5 C=CCN1CCCC1CC 269982a_100000754278_100000210623 [1,0,0,1,0,0|1,0,1]=4 19853 B10R1.5 C=CCN1CCCC1CC 34a_100000754278_100015514636 [1,0,0,1,0,0|1,0,1]=4 19854 B10R1.5 CCC1CCCN1CC=O 2230a_100000754278_200015260668 [1,0,0,1,0,0|1,0,0]=3 19855 B10R1.5 CCC1CCCN1CC=O 269982a_100000754278_200015260668 [1,0,0,1,0,0|1,0,0]=3 19856 B10R1.5 CCC1CCCN1CC=O 34a_100000754278_200009817547 [1,0,0,1,0,0|1,0,0]=3 19857 B10R1.5 CCC1CCCN1CCF 2230a_100000754278_100011217306 [1,0,0,1,0,0|2,0,0]=4 19858 B10R1.5 CCC1CCCN1CCF 269982a_100000754278_100011217306 [1,0,0,1,0,0|2,0,0]=4 19859 B10R1.5 CCC1CCCN1CCF 34a_100000754278_100011217306 [1,0,0,1,0,0|2,0,0]=4 19860 B10R1.5 CCC1CCCN1CCO 2230a_100000754278_100000211926 [1,0,0,1,0,0|1,0,1]=4 19861 B10R1.5 CCC1CCCN1CCO 269982a_100000754278_100000211926 [1,0,0,1,0,0|1,0,1]=4 19862 B10R1.5 CCC1CCCN1CCO 34a_100000754278_100000211926 [1,0,0,1,0,0|1,0,1]=4 19863 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [1,0,0,1,0,0|1,0,1]=4 19864 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [1,0,0,1,0,0|1,0,1]=4 19865 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [1,0,0,1,0,0|1,0,1]=4 19866 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [1,0,0,1,0,0|1,0,1]=4 19867 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [1,0,0,1,0,0|1,0,1]=4 19868 B10R1.5 CCCN1CCC[C@@H]1CO 2230a_100000745186_100000210303 [1,0,0,1,0,0|1,0,1]=4 19869 B10R1.5 CCCN1CCC[C@@H]1CO 269982a_100000745186_100000210303 [1,0,0,1,0,0|1,0,1]=4 19870 B10R1.5 CCCN1CCC[C@@H]1CO 34a_100000745186_100000210303 [1,0,0,1,0,0|1,0,1]=4 19871 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [1,0,0,1,0,0|1,0,1]=4 19872 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [1,0,0,1,0,0|1,0,1]=4 19873 B10R1.5 O=CCN1CCC[C@@H]1CO 2230a_100000745186_200015260668 [1,0,0,1,0,0|2,0,0]=4 19874 B10R1.5 O=CCN1CCC[C@@H]1CO 269982a_100000745186_200015260668 [1,0,0,1,0,0|2,0,0]=4 19875 B10R1.5 O=CCN1CCC[C@@H]1CO 34a_100000745186_200009817547 [1,0,0,1,0,0|2,0,0]=4 19876 B10R1.17 BrCCOC1CCCCC1 34a_100000211926_100000210327 [1,0,0,1,0,0|2,0,0]=4 19877 B10R1.17 C=CCNC1CCCCC1 2230a_100000182618_100000210623 [1,0,0,1,0,0|1,0,1]=4 19878 B10R1.17 C=CCNC1CCCCC1 270004a_100020586998_100000210434 [1,0,0,1,0,0|1,0,1]=4 19879 B10R1.17 C=CCNC1CCCCC1 34a_100000182618_100015514636 [1,0,0,1,0,0|1,0,1]=4 19880 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [1,0,0,1,0,0|1,0,1]=4 19881 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [1,0,0,1,0,0|1,0,1]=4 19882 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [1,0,0,1,0,0|1,0,1]=4 19883 B10R1.17 C=CCSC1CCCCC1 62a_100000210327_100000210623 [1,0,0,1,0,0|1,0,1]=4 19884 B10R1.17 C=CCSC1CCCCC1 62a_100000210623_100000210327 [1,0,0,1,0,0|1,0,1]=4 19885 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [1,0,0,1,0,0|1,0,1]=4 19886 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [1,0,0,1,0,0|1,0,1]=4 19887 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [1,0,0,1,0,0|1,0,1]=4 19888 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [1,0,0,1,0,0|1,0,1]=4 19889 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [1,0,0,1,0,0|1,0,1]=4 19890 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [1,0,0,1,0,0|1,0,1]=4 19891 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [1,0,0,1,0,0|1,0,1]=4 19892 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [1,0,0,1,0,0|1,0,1]=4 19893 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [1,0,0,1,0,0|1,0,1]=4 19894 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [1,0,0,1,0,0|1,0,1]=4 19895 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [1,0,0,1,0,0|1,0,1]=4 19896 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [1,0,0,1,0,0|1,0,1]=4 19897 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [1,0,0,1,0,0|1,0,1]=4 19898 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [1,0,0,1,0,0|1,0,1]=4 19899 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [1,0,0,1,0,0|1,0,1]=4 19900 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [1,0,0,1,0,0|1,0,1]=4 19901 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [1,0,0,1,0,0|1,0,1]=4 19902 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [1,0,0,1,0,0|1,0,1]=4 19903 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [1,0,0,1,0,0|1,0,1]=4 19904 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [1,0,0,1,0,0|1,0,1]=4 19905 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [1,0,0,1,0,0|1,0,1]=4 19906 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [1,0,0,1,0,0|1,0,1]=4 19907 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [1,0,0,1,0,0|2,0,0]=4 19908 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [1,0,0,1,0,0|1,0,1]=4 19909 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [1,0,0,1,0,0|1,0,1]=4 19910 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [1,0,0,1,0,0|1,0,1]=4 19911 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [1,0,0,1,0,0|1,0,1]=4 19912 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [1,0,0,1,0,0|1,0,1]=4 19913 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [1,0,0,1,0,0|1,0,1]=4 19914 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [1,0,0,1,0,0|1,0,1]=4 19915 B10R1.17 CNCCC1=CCCCC1 2230a_100000212019_200000210301 [1,0,0,1,0,0|1,0,1]=4 19916 B10R1.17 CNCCC1=CCCCC1 34a_100000212019_200000210301 [1,0,0,1,0,0|1,0,1]=4 19917 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [1,0,0,1,0,0|1,0,1]=4 19918 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [1,0,0,1,0,0|1,0,1]=4 19919 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [1,0,0,1,0,0|1,0,1]=4 19920 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [1,0,0,1,0,0|1,0,1]=4 19921 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [1,0,0,1,0,0|1,0,1]=4 19922 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [1,0,0,1,0,0|1,0,1]=4 19923 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [1,0,0,1,0,0|1,0,1]=4 19924 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [1,0,0,1,0,0|1,0,1]=4 19925 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [1,0,0,1,0,0|1,0,1]=4 19926 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [1,0,0,1,0,0|1,0,1]=4 19927 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [1,0,0,1,0,0|1,0,1]=4 19928 B10R1.17 COCCC1CCCCN1 34a_100000211664_200000210301 [1,0,0,1,0,0|2,0,0]=4 19929 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [1,0,0,1,0,0|1,0,1]=4 19930 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [1,0,0,1,0,0|1,0,1]=4 19931 B10R1.17 FCCNC1CCCCC1 2230a_100000182618_100011217306 [1,0,0,1,0,0|2,0,0]=4 19932 B10R1.17 FCCNC1CCCCC1 34a_100000182618_100011217306 [1,0,0,1,0,0|2,0,0]=4 19933 B10R1.17 FCCNC1CCCCC1 34a_100000724931_100000210327 [1,0,0,1,0,0|2,0,0]=4 19934 B10R1.17 FCCOC1CCCCC1 34a_100000210231_100011217306 [1,0,0,1,0,0|2,0,0]=4 19935 B10R1.17 FCCOC1CCCCC1 7a_100000210231_100011217306 [1,0,0,1,0,0|2,0,0]=4 19936 B10R1.17 FCCSC1CCCCC1 62a_100000210327_100011217306 [1,0,0,1,0,0|2,0,0]=4 19937 B10R1.17 FCCSC1CCCCC1 62a_100011217306_100000210327 [1,0,0,1,0,0|2,0,0]=4 19938 B10R1.17 FCNCC1CCCCC1 34a_100000210473_100015361967 [1,0,0,1,0,0|2,0,0]=4 19939 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [1,0,0,1,0,0|2,0,0]=4 19940 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [1,0,0,1,0,0|2,0,0]=4 19941 B10R1.17 FCSCC1CCCCC1 62a_100000211423_100015361967 [1,0,0,1,0,0|2,0,0]=4 19942 B10R1.17 FCSCC1CCCCC1 62a_100015361967_100000211423 [1,0,0,1,0,0|2,0,0]=4 19943 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [1,0,0,1,0,0|2,0,0]=4 19944 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [1,0,0,1,0,0|1,0,0]=3 19945 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [1,0,0,1,0,0|1,0,0]=3 19946 B10R1.17 O=CCNC1CCCOC1 2230a_100000719290_200015260668 [1,0,0,1,0,0|2,0,0]=4 19947 B10R1.17 O=CCNC1CCCOC1 34a_100000719290_200009817547 [1,0,0,1,0,0|2,0,0]=4 19948 B10R1.17 O=CCNC1CCOCC1 2230a_100000741149_200015260668 [1,0,0,1,0,0|2,0,0]=4 19949 B10R1.17 O=CCNC1CCOCC1 34a_100000741149_200009817547 [1,0,0,1,0,0|2,0,0]=4 19950 B10R1.17 O=CCNC1CCSCC1 2230a_100000748639_200015260668 [1,0,0,1,0,0|2,0,0]=4 19951 B10R1.17 O=CCNC1CCSCC1 34a_100000748639_200009817547 [1,0,0,1,0,0|2,0,0]=4 19952 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [1,0,0,1,0,0|1,0,0]=3 19953 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [1,0,0,1,0,0|1,0,0]=3 19954 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [1,0,0,1,0,0|2,0,0]=4 19955 B10R1.17 O=CCOC1CCCOC1 34a_100000754041_200009817547 [1,0,0,1,0,0|2,0,0]=4 19956 B10R1.17 O=CCOC1CCCSC1 7a_100015962668_200015260668 [1,0,0,1,0,0|2,0,0]=4 19957 B10R1.17 O=CCOC1CCOCC1 34a_100000744328_200009817547 [1,0,0,1,0,0|2,0,0]=4 19958 B10R1.17 O=CCOC1CCSCC1 34a_100000731022_200009817547 [1,0,0,1,0,0|2,0,0]=4 19959 B10R1.17 O=CCOC1CCSCC1 7a_100000731022_200015260668 [1,0,0,1,0,0|2,0,0]=4 19960 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [1,0,0,1,0,0|1,0,0]=3 19961 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [1,0,0,1,0,0|1,0,0]=3 19962 B10R1.17 O=CCSC1CCCOC1 62a_200015260668_100000693364 [1,0,0,1,0,0|2,0,0]=4 19963 B10R1.17 O=CCSC1CCOCC1 62a_200015260668_100011324220 [1,0,0,1,0,0|2,0,0]=4 19964 B10R1.17 O=CCSC1CCSCC1 62a_200015260668_100000069128 [1,0,0,1,0,0|2,0,0]=4 19965 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [1,0,0,1,0,0|1,0,1]=4 19966 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [1,0,0,1,0,0|1,0,1]=4 19967 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [1,0,0,1,0,0|1,0,1]=4 19968 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [1,0,0,1,0,0|1,0,1]=4 19969 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [1,0,0,1,0,0|1,0,1]=4 19970 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [1,0,0,1,0,0|1,0,1]=4 19971 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [1,0,0,1,0,0|1,0,1]=4 19972 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [1,0,0,1,0,0|1,0,1]=4 19973 B10R1.17 [13CH3]NCCC1=CCCCC1 2230a_100000212019_200025704644 [1,0,0,1,0,0|1,0,1]=4 19974 B10R1.17 [13CH3]NCCC1=CCCCC1 34a_100000212019_200025704644 [1,0,0,1,0,0|1,0,1]=4 19975 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [1,0,0,1,0,0|1,0,1]=4 19976 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [1,0,0,1,0,0|1,0,1]=4 19977 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [1,0,0,1,0,0|1,0,1]=4 19978 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [1,0,0,1,0,0|1,0,1]=4 19979 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [1,0,0,1,0,0|1,0,1]=4 19980 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [1,0,0,1,0,0|1,0,1]=4 19981 B10R1.17 [13CH3]OCCC1CCCCN1 34a_100000211664_200025704644 [1,0,0,1,0,0|2,0,0]=4 19982 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [1,0,0,1,0,0|1,0,1]=4 19983 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [1,0,0,1,0,0|1,0,1]=4 19984 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [1,0,0,1,0,0|1,0,0]=3 19985 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [1,0,0,1,0,0|2,0,0]=4 19986 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [1,0,0,1,0,0|2,0,0]=4 19987 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [1,0,0,1,0,0|2,0,0]=4 19988 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [1,0,0,1,0,0|2,0,0]=4 19989 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [1,0,0,1,0,0|1,0,0]=3 19990 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [1,0,0,1,0,0|1,0,0]=3 19991 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [1,0,0,1,0,0|2,0,0]=4 19992 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [1,0,0,1,0,0|2,0,0]=4 19993 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [1,0,0,1,0,0|2,0,0]=4 19994 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [1,0,0,1,0,0|2,0,0]=4 19995 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [1,0,0,1,0,0|1,0,0]=3 19996 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [1,0,0,1,0,0|1,0,0]=3 19997 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [1,0,0,1,0,0|2,0,0]=4 19998 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [1,0,0,1,0,0|2,0,0]=4 19999 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [1,0,0,1,0,0|1,0,1]=4 20000 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [1,0,0,1,0,0|1,0,1]=4 20001 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [1,0,0,1,0,0|1,0,1]=4 20002 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [1,0,0,1,0,0|1,0,1]=4 20003 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [1,0,0,1,0,0|1,0,1]=4 20004 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [1,0,0,1,0,0|1,0,1]=4 20005 B10R1.20 CCC1CCCCN1CC 2230a_100000210034_100000210202 [1,0,0,1,0,0|1,0,1]=4 20006 B10R1.20 CCC1CCCCN1CC 269982a_100000210034_100000204670 [1,0,0,1,0,0|1,0,1]=4 20007 B10R1.20 CCC1CCCCN1CC 34a_100000210034_100000210202 [1,0,0,1,0,0|1,0,1]=4 20008 B10R1.20 CCC1CCCCN1CF 269982a_100000210034_100015361967 [1,0,0,1,0,0|2,0,0]=4 20009 B10R1.20 CCC1CCCCN1CF 34a_100000210034_100015361967 [1,0,0,1,0,0|2,0,0]=4 20010 B10R1.20 CCN1CCCCC1CO 2230a_100000210821_100000210202 [1,0,0,1,0,0|1,0,1]=4 20011 B10R1.20 CCN1CCCCC1CO 269982a_100000210821_100000204670 [1,0,0,1,0,0|1,0,1]=4 20012 B10R1.20 CCN1CCCCC1CO 34a_100000210821_100000210202 [1,0,0,1,0,0|1,0,1]=4 20013 B10R1.20 CNC1CCCCC1CO 270004a_106832991635_100009861125 [1,0,0,1,0,0|1,0,1]=4 20014 B10R1.20 COC1CCCCC1CN 34a_100011216029_200000210301 [1,0,0,1,0,0|2,0,0]=4 20015 B10R1.20 [13CH3]OC1CCCCC1CN 34a_100011216029_200025704644 [1,0,0,1,0,0|2,0,0]=4 20016 B10R1.21 BrCCCOC1CCCC1 34a_100011217188_100000179811 [1,0,0,1,0,0|2,0,0]=4 20017 B10R1.21 BrCCOCC1CCCC1 34a_100000211926_100000740388 [1,0,0,1,0,0|2,0,0]=4 20018 B10R1.21 C=CCCCN1CCCC1 2230a_100000188435_100011713584 [1,0,0,1,0,0|1,0,1]=4 20019 B10R1.21 C=CCCCN1CCCC1 269982a_100000188435_100000757094 [1,0,0,1,0,0|1,0,1]=4 20020 B10R1.21 C=CCCNC1CCCC1 2230a_100000211070_100000754431 [1,0,0,1,0,0|1,0,1]=4 20021 B10R1.21 C=CCCNC1CCCC1 2230a_100015191253_100000179811 [1,0,0,1,0,0|1,0,1]=4 20022 B10R1.21 C=CCCNC1CCCC1 270004a_100015191253_100000210133 [1,0,0,1,0,0|1,0,1]=4 20023 B10R1.21 C=CCCNC1CCCC1 34a_100000211070_100000754431 [1,0,0,1,0,0|1,0,1]=4 20024 B10R1.21 C=CCCOC1CCCC1 34a_100000210269_100000754431 [1,0,0,1,0,0|1,0,1]=4 20025 B10R1.21 C=CCCOC1CCCC1 34a_100011205117_100000179811 [1,0,0,1,0,0|1,0,1]=4 20026 B10R1.21 C=CCCOC1CCCC1 7a_100000210269_100000754431 [1,0,0,1,0,0|1,0,1]=4 20027 B10R1.21 C=CCCSC1CCCC1 62a_100000754431_100000179811 [1,0,0,1,0,0|1,0,1]=4 20028 B10R1.21 C=CCCSC1CCCC1 62a_100011217020_100000754431 [1,0,0,1,0,0|1,0,1]=4 20029 B10R1.21 C=CCNCC1CCCC1 2230a_100000737975_100000210623 [1,0,0,1,0,0|1,0,1]=4 20030 B10R1.21 C=CCNCC1CCCC1 2230a_100020586998_100000740388 [1,0,0,1,0,0|1,0,1]=4 20031 B10R1.21 C=CCNCC1CCCC1 34a_100000737975_100015514636 [1,0,0,1,0,0|1,0,1]=4 20032 B10R1.21 C=CCOCC1CCCC1 34a_100000742336_100015514636 [1,0,0,1,0,0|1,0,1]=4 20033 B10R1.21 C=CCOCC1CCCC1 34a_200000210373_100000740388 [1,0,0,1,0,0|1,0,1]=4 20034 B10R1.21 C=CCOCC1CCCC1 7a_100000742336_100015514636 [1,0,0,1,0,0|1,0,1]=4 20035 B10R1.21 C=CCSCC1CCCC1 62a_100000210623_100000740388 [1,0,0,1,0,0|1,0,1]=4 20036 B10R1.21 C=CCSCC1CCCC1 62a_100000740388_100000210623 [1,0,0,1,0,0|1,0,1]=4 20037 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [1,0,0,1,0,0|1,0,1]=4 20038 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [1,0,0,1,0,0|1,0,1]=4 20039 B10R1.21 CCCCNC1CCCC1 2230a_100000102301_100000179811 [1,0,0,1,0,0|1,0,1]=4 20040 B10R1.21 CCCCNC1CCCC1 2230a_100000211070_100000210211 [1,0,0,1,0,0|1,0,1]=4 20041 B10R1.21 CCCCNC1CCCC1 270004a_100000102301_100000210133 [1,0,0,1,0,0|1,0,1]=4 20042 B10R1.21 CCCCNC1CCCC1 34a_100000211070_100000210210 [1,0,0,1,0,0|1,0,1]=4 20043 B10R1.21 CCCCNC1CCCC1 7a_106832991798_100000179811 [1,0,0,1,0,0|1,0,1]=4 20044 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [1,0,0,1,0,0|1,0,1]=4 20045 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [1,0,0,1,0,0|1,0,1]=4 20046 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [1,0,0,1,0,0|1,0,1]=4 20047 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [1,0,0,1,0,0|1,0,1]=4 20048 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [1,0,0,1,0,0|1,0,1]=4 20049 B10R1.21 CCCCSC1CCCC1 62a_100000210211_100000179811 [1,0,0,1,0,0|1,0,1]=4 20050 B10R1.21 CCCCSC1CCCC1 62a_100011217020_100000210210 [1,0,0,1,0,0|1,0,1]=4 20051 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [1,0,0,1,0,0|1,0,1]=4 20052 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [1,0,0,1,0,0|1,0,1]=4 20053 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [1,0,0,1,0,0|1,0,1]=4 20054 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [1,0,0,1,0,0|1,0,1]=4 20055 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [1,0,0,1,0,0|1,0,1]=4 20056 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [1,0,0,1,0,0|1,0,1]=4 20057 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [1,0,0,1,0,0|1,0,1]=4 20058 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [1,0,0,1,0,0|1,0,1]=4 20059 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [1,0,0,1,0,0|1,0,1]=4 20060 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [1,0,0,1,0,0|1,0,1]=4 20061 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [1,0,0,1,0,0|2,0,0]=4 20062 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [1,0,0,1,0,0|1,0,1]=4 20063 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [1,0,0,1,0,0|1,0,1]=4 20064 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [1,0,0,1,0,0|1,0,1]=4 20065 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [1,0,0,1,0,0|1,0,1]=4 20066 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [1,0,0,1,0,0|1,0,1]=4 20067 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [1,0,0,1,0,0|1,0,1]=4 20068 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [1,0,0,1,0,0|1,0,1]=4 20069 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [1,0,0,1,0,0|1,0,1]=4 20070 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [1,0,0,1,0,0|1,0,1]=4 20071 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [1,0,0,1,0,0|1,0,1]=4 20072 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [1,0,0,1,0,0|1,0,1]=4 20073 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [1,0,0,1,0,0|1,0,1]=4 20074 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [1,0,0,1,0,0|1,0,1]=4 20075 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [1,0,0,1,0,0|1,0,1]=4 20076 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [1,0,0,1,0,0|1,0,1]=4 20077 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [1,0,0,1,0,0|1,0,1]=4 20078 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [1,0,0,1,0,0|1,0,1]=4 20079 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [1,0,0,1,0,0|1,0,1]=4 20080 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [1,0,0,1,0,0|1,0,1]=4 20081 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [1,0,0,1,0,0|1,0,1]=4 20082 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [1,0,0,1,0,0|1,0,1]=4 20083 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [1,0,0,1,0,0|1,0,1]=4 20084 B10R1.21 ClCCCOC1CCCC1 34a_100000230001_100000179811 [1,0,0,1,0,0|2,0,0]=4 20085 B10R1.21 FCCCCN1CCCC1 2230a_100000188435_100000729493 [1,0,0,1,0,0|2,0,0]=4 20086 B10R1.21 FCCCCN1CCCC1 269982a_100000188435_100000729493 [1,0,0,1,0,0|2,0,0]=4 20087 B10R1.21 FCCCNC1CCCC1 2230a_100000211070_100011934791 [1,0,0,1,0,0|2,0,0]=4 20088 B10R1.21 FCCCNC1CCCC1 2230a_100015189416_100000179811 [1,0,0,1,0,0|2,0,0]=4 20089 B10R1.21 FCCCNC1CCCC1 270004a_100015189416_100000210133 [1,0,0,1,0,0|2,0,0]=4 20090 B10R1.21 FCCCNC1CCCC1 34a_100000211070_100011934791 [1,0,0,1,0,0|2,0,0]=4 20091 B10R1.21 FCCCNC1CCCC1 34a_100015189416_100000179811 [1,0,0,1,0,0|2,0,0]=4 20092 B10R1.21 FCCCOC1CCCC1 34a_100000210269_100011934791 [1,0,0,1,0,0|2,0,0]=4 20093 B10R1.21 FCCCOC1CCCC1 34a_100000759539_100000179811 [1,0,0,1,0,0|2,0,0]=4 20094 B10R1.21 FCCCOC1CCCC1 7a_100000210269_100011934791 [1,0,0,1,0,0|2,0,0]=4 20095 B10R1.21 FCCCSC1CCCC1 62a_100011217020_100011934791 [1,0,0,1,0,0|2,0,0]=4 20096 B10R1.21 FCCCSC1CCCC1 62a_100011934791_100000179811 [1,0,0,1,0,0|2,0,0]=4 20097 B10R1.21 FCCNCC1CCCC1 2230a_100000737975_100011217306 [1,0,0,1,0,0|2,0,0]=4 20098 B10R1.21 FCCNCC1CCCC1 269862a_100000724931_100000746403 [1,0,0,1,0,0|2,0,0]=4 20099 B10R1.21 FCCNCC1CCCC1 34a_100000724931_100000740388 [1,0,0,1,0,0|2,0,0]=4 20100 B10R1.21 FCCNCC1CCCC1 34a_100000737975_100011217306 [1,0,0,1,0,0|2,0,0]=4 20101 B10R1.21 FCCOCC1CCCC1 34a_100000742336_100011217306 [1,0,0,1,0,0|2,0,0]=4 20102 B10R1.21 FCCOCC1CCCC1 7a_100000742336_100011217306 [1,0,0,1,0,0|2,0,0]=4 20103 B10R1.21 FCCSCC1CCCC1 62a_100000740388_100011217306 [1,0,0,1,0,0|2,0,0]=4 20104 B10R1.21 FCCSCC1CCCC1 62a_100011217306_100000740388 [1,0,0,1,0,0|2,0,0]=4 20105 B10R1.21 FCNCCC1CCCC1 34a_100000739158_100015361967 [1,0,0,1,0,0|2,0,0]=4 20106 B10R1.21 FCOCCC1CCCC1 34a_100000749090_100015361967 [1,0,0,1,0,0|2,0,0]=4 20107 B10R1.21 FCOCCC1CCCC1 7a_100000749090_100015361967 [1,0,0,1,0,0|2,0,0]=4 20108 B10R1.21 FCSCCC1CCCC1 62a_100000760354_100015361967 [1,0,0,1,0,0|2,0,0]=4 20109 B10R1.21 FCSCCC1CCCC1 62a_100015361967_100000760354 [1,0,0,1,0,0|2,0,0]=4 20110 B10R1.21 NCCCOC1CCCC1 34a_100000182051_100000179811 [1,0,0,1,0,0|2,0,0]=4 20111 B10R1.21 NCCOCC1CCCC1 34a_100000210304_100000740388 [1,0,0,1,0,0|2,0,0]=4 20112 B10R1.21 O=CCCCN1CCCC1 2230a_100000188435_200011292268 [1,0,0,1,0,0|1,0,0]=3 20113 B10R1.21 O=CCCCN1CCCC1 269982a_100000188435_200011292268 [1,0,0,1,0,0|1,0,0]=3 20114 B10R1.21 O=CCCCN1CCSC1 2230a_100011215254_200011292268 [1,0,0,1,0,0|2,0,0]=4 20115 B10R1.21 O=CCCCN1CCSC1 269982a_100011215254_200011292268 [1,0,0,1,0,0|2,0,0]=4 20116 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [1,0,0,1,0,0|1,0,0]=3 20117 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [1,0,0,1,0,0|1,0,0]=3 20118 B10R1.21 O=CCNCC1CCOC1 2230a_100000737293_200015260668 [1,0,0,1,0,0|2,0,0]=4 20119 B10R1.21 O=CCNCC1CCOC1 34a_100000737293_200009817547 [1,0,0,1,0,0|2,0,0]=4 20120 B10R1.21 O=CCNC[C@@H]1CCCO1 2230a_100020590478_200015260668 [1,0,0,1,0,0|2,0,0]=4 20121 B10R1.21 O=CCNC[C@@H]1CCCO1 34a_100020590478_200009817547 [1,0,0,1,0,0|2,0,0]=4 20122 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [1,0,0,1,0,0|1,0,0]=3 20123 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [1,0,0,1,0,0|1,0,0]=3 20124 B10R1.21 O=CCOCC1CCCO1 34a_100000210270_200009817547 [1,0,0,1,0,0|2,0,0]=4 20125 B10R1.21 O=CCOCC1CCCO1 7a_100000210270_200015260668 [1,0,0,1,0,0|2,0,0]=4 20126 B10R1.21 O=CCOCC1CCNC1 34a_100000748654_200009817547 [1,0,0,1,0,0|2,0,0]=4 20127 B10R1.21 O=CCOCC1CCOC1 34a_100000740260_200009817547 [1,0,0,1,0,0|2,0,0]=4 20128 B10R1.21 O=CCOC[C@H]1CCCN1 34a_100000745186_200009817547 [1,0,0,1,0,0|2,0,0]=4 20129 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [1,0,0,1,0,0|1,0,0]=3 20130 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [1,0,0,1,0,0|1,0,0]=3 20131 B10R1.21 O=CCSCC1CCCO1 62a_100000203698_200015260668 [1,0,0,1,0,0|2,0,0]=4 20132 B10R1.21 O=CCSCC1CCCO1 62a_200015260668_100000203698 [1,0,0,1,0,0|2,0,0]=4 20133 B10R1.21 O=CCSCC1CCOC1 62a_100000702531_200015260668 [1,0,0,1,0,0|2,0,0]=4 20134 B10R1.21 O=CCSCC1CCOC1 62a_200015260668_100000702531 [1,0,0,1,0,0|2,0,0]=4 20135 B10R1.21 OCCCCN1CCCC1 2230a_100000188435_100000210776 [1,0,0,1,0,0|1,0,1]=4 20136 B10R1.21 OCCCCN1CCCC1 269982a_100000188435_100000210776 [1,0,0,1,0,0|1,0,1]=4 20137 B10R1.21 OCCCNC1CCCC1 2230a_100000211070_100000230001 [1,0,0,1,0,0|1,0,1]=4 20138 B10R1.21 OCCCNC1CCCC1 270004a_100000182051_100000210133 [1,0,0,1,0,0|1,0,1]=4 20139 B10R1.21 OCCCNC1CCCC1 34a_100000211070_100000230001 [1,0,0,1,0,0|1,0,1]=4 20140 B10R1.21 OCCCOC1CCCC1 34a_100000210269_100000230001 [1,0,0,1,0,0|1,0,1]=4 20141 B10R1.21 OCCCOC1CCCC1 7a_100000210269_100011215043 [1,0,0,1,0,0|1,0,1]=4 20142 B10R1.21 OCCCSC1CCCC1 62a_100011215043_100000179811 [1,0,0,1,0,0|1,0,1]=4 20143 B10R1.21 OCCCSC1CCCC1 62a_100011217020_100011215043 [1,0,0,1,0,0|1,0,1]=4 20144 B10R1.21 OCCNCC1CCCC1 2230a_100000737975_100000211926 [1,0,0,1,0,0|1,0,1]=4 20145 B10R1.21 OCCNCC1CCCC1 2230a_100016997473_100000740388 [1,0,0,1,0,0|1,0,1]=4 20146 B10R1.21 OCCNCC1CCCC1 269862a_100000210304_100000746403 [1,0,0,1,0,0|1,0,1]=4 20147 B10R1.21 OCCNCC1CCCC1 34a_100000737975_100000211926 [1,0,0,1,0,0|1,0,1]=4 20148 B10R1.21 OCCNCC1CCCC1 34a_100016990907_100000740388 [1,0,0,1,0,0|1,0,1]=4 20149 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [1,0,0,1,0,0|1,0,1]=4 20150 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [1,0,0,1,0,0|1,0,1]=4 20151 B10R1.21 OCCSCC1CCCC1 62a_100000211926_100000740388 [1,0,0,1,0,0|1,0,1]=4 20152 B10R1.21 OCCSCC1CCCC1 62a_100000740388_100000211926 [1,0,0,1,0,0|1,0,1]=4 20153 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [1,0,0,1,0,0|1,0,1]=4 20154 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [1,0,0,1,0,0|1,0,1]=4 20155 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [1,0,0,1,0,0|1,0,1]=4 20156 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [1,0,0,1,0,0|1,0,1]=4 20157 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [1,0,0,1,0,0|1,0,1]=4 20158 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [1,0,0,1,0,0|1,0,1]=4 20159 B10R1.29 C=CCCN1CCC[C@@H]1C 2230a_100020605311_100000754431 [1,0,0,1,0,0|1,0,1]=4 20160 B10R1.29 C=CCCN1CCC[C@@H]1C 269982a_100020605311_100000754431 [1,0,0,1,0,0|1,0,1]=4 20161 B10R1.29 C=CCCN1CCC[C@H]1C 2230a_100015189458_100000754431 [1,0,0,1,0,0|1,0,1]=4 20162 B10R1.29 C=CCCN1CCC[C@H]1C 269982a_100015189458_100000754431 [1,0,0,1,0,0|1,0,1]=4 20163 B10R1.29 C=CCCN1CCC[C@H]1C 34a_100015189458_100000754431 [1,0,0,1,0,0|1,0,1]=4 20164 B10R1.29 C=CCOC1CCCC1C 34a_100011216460_100015514636 [1,0,0,1,0,0|1,0,1]=4 20165 B10R1.29 C=CCOC1CCCC1C 7a_100011216460_100015514636 [1,0,0,1,0,0|1,0,1]=4 20166 B10R1.29 CC1CCCC1NCCF 269862a_100000724931_100000752053 [1,0,0,1,0,0|2,0,0]=4 20167 B10R1.29 CC1CCCC1NCCO 269862a_100000210304_100000752053 [1,0,0,1,0,0|1,0,1]=4 20168 B10R1.29 CC1CCCC1OCC=O 34a_100011216460_200009817547 [1,0,0,1,0,0|1,0,0]=3 20169 B10R1.29 CC1CCCC1OCC=O 7a_100011216460_200015260668 [1,0,0,1,0,0|1,0,0]=3 20170 B10R1.29 CC1CCCC1OCCF 34a_100011216460_100011217306 [1,0,0,1,0,0|2,0,0]=4 20171 B10R1.29 CC1CCCC1OCCF 7a_100011216460_100011217306 [1,0,0,1,0,0|2,0,0]=4 20172 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [1,0,0,1,0,0|1,0,1]=4 20173 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [1,0,0,1,0,0|1,0,1]=4 20174 B10R1.29 CCCCN1CCC[C@@H]1C 2230a_100020605311_100000210211 [1,0,0,1,0,0|1,0,1]=4 20175 B10R1.29 CCCCN1CCC[C@@H]1C 269982a_100020605311_100000210211 [1,0,0,1,0,0|1,0,1]=4 20176 B10R1.29 CCCCN1CCC[C@H]1C 2230a_100015189458_100000210211 [1,0,0,1,0,0|1,0,1]=4 20177 B10R1.29 CCCCN1CCC[C@H]1C 269982a_100015189458_100000210211 [1,0,0,1,0,0|1,0,1]=4 20178 B10R1.29 CCCCN1CCC[C@H]1C 34a_100015189458_100000210210 [1,0,0,1,0,0|1,0,1]=4 20179 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [1,0,0,1,0,0|1,0,1]=4 20180 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 20181 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 20182 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [1,0,0,1,0,0|1,0,0]=3 20183 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [1,0,0,1,0,0|1,0,0]=3 20184 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [1,0,0,1,0,0|1,0,1]=4 20185 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [1,0,0,1,0,0|1,0,1]=4 20186 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [1,0,0,1,0,0|2,0,0]=4 20187 B10R1.29 CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210303 [1,0,0,1,0,0|2,0,0]=4 20188 B10R1.29 CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210303 [1,0,0,1,0,0|2,0,0]=4 20189 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [1,0,0,1,0,0|2,0,0]=4 20190 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [1,0,0,1,0,0|1,0,0]=3 20191 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [1,0,0,1,0,0|1,0,0]=3 20192 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [1,0,0,1,0,0|2,0,0]=4 20193 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [1,0,0,1,0,0|2,0,0]=4 20194 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [1,0,0,1,0,0|1,0,1]=4 20195 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [1,0,0,1,0,0|1,0,1]=4 20196 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [1,0,0,1,0,0|2,0,0]=4 20197 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [1,0,0,1,0,0|2,0,0]=4 20198 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [1,0,0,1,0,0|2,0,0]=4 20199 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [1,0,0,1,0,0|2,0,0]=4 20200 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [1,0,0,1,0,0|2,0,0]=4 20201 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [1,0,0,1,0,0|2,0,0]=4 20202 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [1,0,0,1,0,0|2,0,0]=4 20203 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [1,0,0,1,0,0|2,0,0]=4 20204 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [1,0,0,1,0,0|2,0,0]=4 20205 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [1,0,0,1,0,0|2,0,0]=4 20206 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [1,0,0,1,0,0|2,0,0]=4 20207 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [1,0,0,1,0,0|2,0,0]=4 20208 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [1,0,0,1,0,0|2,0,0]=4 20209 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [1,0,0,1,0,0|2,0,0]=4 20210 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [1,0,0,1,0,0|2,0,0]=4 20211 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [1,0,0,1,0,0|2,0,0]=4 20212 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [1,0,0,1,0,0|2,0,0]=4 20213 B10R1.29 C[C@@H]1CCCN1CCCF 2230a_100015189458_100011934791 [1,0,0,1,0,0|2,0,0]=4 20214 B10R1.29 C[C@@H]1CCCN1CCCF 269982a_100015189458_100011934791 [1,0,0,1,0,0|2,0,0]=4 20215 B10R1.29 C[C@@H]1CCCN1CCCF 34a_100015189458_100011934791 [1,0,0,1,0,0|2,0,0]=4 20216 B10R1.29 C[C@@H]1CCCN1CCCO 2230a_100015189458_100000230001 [1,0,0,1,0,0|1,0,1]=4 20217 B10R1.29 C[C@@H]1CCCN1CCCO 269982a_100015189458_100011215043 [1,0,0,1,0,0|1,0,1]=4 20218 B10R1.29 C[C@@H]1CCCN1CCCO 34a_100015189458_100000230001 [1,0,0,1,0,0|1,0,1]=4 20219 B10R1.29 C[C@@H]1CNC[C@@H]1OCC=O 34a_200015306588_200009817547 [1,0,0,1,0,0|2,0,0]=4 20220 B10R1.29 C[C@H]1CCCN1CCCF 2230a_100020605311_100011934791 [1,0,0,1,0,0|2,0,0]=4 20221 B10R1.29 C[C@H]1CCCN1CCCF 269982a_100020605311_100011934791 [1,0,0,1,0,0|2,0,0]=4 20222 B10R1.29 C[C@H]1CCCN1CCCO 2230a_100020605311_100000230001 [1,0,0,1,0,0|1,0,1]=4 20223 B10R1.29 C[C@H]1CCCN1CCCO 269982a_100020605311_100011215043 [1,0,0,1,0,0|1,0,1]=4 20224 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [1,0,0,1,0,0|2,0,0]=4 20225 B10R1.29 N[C@H]1CCC[C@@H]1OCC=O 34a_100000748460_200009817547 [1,0,0,1,0,0|2,0,0]=4 20226 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [1,0,0,1,0,0|2,0,0]=4 20227 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [1,0,0,1,0,0|2,0,0]=4 20228 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [1,0,0,1,0,0|2,0,0]=4 20229 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [1,0,0,1,0,0|2,0,0]=4 20230 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [1,0,0,1,0,0|2,0,0]=4 20231 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [1,0,0,1,0,0|2,0,0]=4 20232 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [1,0,0,1,0,0|2,0,0]=4 20233 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [1,0,0,1,0,0|2,0,0]=4 20234 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [1,0,0,1,0,0|2,0,0]=4 20235 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [1,0,0,1,0,0|2,0,0]=4 20236 B10R1.29 O=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200009817547 [1,0,0,1,0,0|2,0,0]=4 20237 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200015260668_200016002552 [1,0,0,1,0,0|2,0,0]=4 20238 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_200015260668 [1,0,0,1,0,0|2,0,0]=4 20239 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [1,0,0,1,0,0|2,0,0]=4 20240 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [1,0,0,1,0,0|2,0,0]=4 20241 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [1,0,0,1,0,0|2,0,0]=4 20242 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [1,0,0,1,0,0|2,0,0]=4 20243 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [1,0,0,1,0,0|2,0,0]=4 20244 B10R1.37 C=CCCCN1CCC1C 269982a_100000755817_100000757094 [1,0,0,1,0,0|1,0,1]=4 20245 B10R1.37 C=CCCCN1CCC1C 34a_100000755817_100000757094 [1,0,0,1,0,0|1,0,1]=4 20246 B10R1.37 CC1CCN1CCCC=O 269982a_100000755817_200011292268 [1,0,0,1,0,0|1,0,0]=3 20247 B10R1.37 CC1CCN1CCCCF 269982a_100000755817_100000729493 [1,0,0,1,0,0|2,0,0]=4 20248 B10R1.37 CC1CCN1CCCCF 34a_100000755817_100000729493 [1,0,0,1,0,0|2,0,0]=4 20249 B10R1.37 CC1CCN1CCCCO 269982a_100000755817_100000210776 [1,0,0,1,0,0|1,0,1]=4 20250 B10R1.37 CC1CCN1CCCCO 34a_100000755817_100011216708 [1,0,0,1,0,0|1,0,1]=4 20251 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [1,0,0,1,0,0|1,0,1]=4 20252 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [1,0,0,1,0,0|1,0,1]=4 20253 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [1,0,0,1,0,0|1,0,0]=3 20254 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [1,0,0,1,0,0|1,0,0]=3 20255 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [1,0,0,1,0,0|1,0,0]=3 20256 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [1,0,0,1,0,0|1,0,0]=3 20257 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [1,0,0,1,0,0|1,0,0]=3 20258 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [1,0,0,1,0,0|1,0,0]=3 20259 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [1,0,0,1,0,0|2,0,0]=4 20260 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [1,0,0,1,0,0|2,0,0]=4 20261 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [1,0,0,1,0,0|1,0,0]=3 20262 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [1,0,0,1,0,0|1,0,0]=3 20263 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [1,0,0,1,0,0|2,0,0]=4 20264 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [1,0,0,1,0,0|2,0,0]=4 20265 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [1,0,0,1,0,0|2,0,0]=4 20266 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [1,0,0,1,0,0|2,0,0]=4 20267 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [1,0,0,1,0,0|2,0,0]=4 20268 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [1,0,0,1,0,0|2,0,0]=4 20269 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [1,0,0,1,0,0|2,0,0]=4 20270 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [1,0,0,1,0,0|2,0,0]=4 20271 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [1,0,0,1,0,0|2,0,0]=4 20272 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [1,0,0,1,0,0|2,0,0]=4 20273 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [1,0,0,1,0,0|2,0,0]=4 20274 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [1,0,0,1,0,0|2,0,0]=4 20275 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [1,0,0,1,0,0|2,0,0]=4 20276 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [1,0,0,1,0,0|2,0,0]=4 20277 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [1,0,0,1,0,0|2,0,0]=4 20278 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [1,0,0,1,0,0|2,0,0]=4 20279 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [1,0,0,1,0,0|2,0,0]=4 20280 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [1,0,0,1,0,0|2,0,0]=4 20281 B10R1.56 C=CCCOCC1CC1C 34a_100000744939_100000754431 [1,0,0,1,0,0|1,0,1]=4 20282 B10R1.56 C=CCCOCC1CC1C 7a_100000744939_100000754431 [1,0,0,1,0,0|1,0,1]=4 20283 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [1,0,0,1,0,0|2,0,0]=4 20284 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [1,0,0,1,0,0|2,0,0]=4 20285 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [1,0,0,1,0,0|1,0,1]=4 20286 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [1,0,0,1,0,0|1,0,1]=4 20287 B10R1.56 CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210326 [1,0,0,1,0,0|2,0,0]=4 20288 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210326 [1,0,0,1,0,0|2,0,0]=4 20289 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000718602 [1,0,0,1,0,0|2,0,0]=4 20290 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [1,0,0,1,0,0|1,0,1]=4 20291 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [1,0,0,1,0,0|1,0,1]=4 20292 B10R1.56 O=CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200011292268 [1,0,0,1,0,0|2,0,0]=4 20293 B10R1.56 O=CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_200011292268 [1,0,0,1,0,0|2,0,0]=4 20294 B10R1.57 BrCCCCOC1CCC1 34a_100011216708_100000749161 [1,0,0,1,0,0|2,0,0]=4 20295 B10R1.57 BrCCCOCC1CCC1 34a_100011217188_100000763275 [1,0,0,1,0,0|2,0,0]=4 20296 B10R1.57 C=CCCCCN1CCC1 269982a_100000754969_100011215482 [1,0,0,1,0,0|1,0,1]=4 20297 B10R1.57 C=CCCCNC1CCC1 2230a_100000749019_100011713584 [1,0,0,1,0,0|1,0,1]=4 20298 B10R1.57 C=CCCCNC1CCC1 270004a_100000700776_100000241760 [1,0,0,1,0,0|1,0,1]=4 20299 B10R1.57 C=CCCCNC1CCC1 34a_100000700776_100000749161 [1,0,0,1,0,0|1,0,1]=4 20300 B10R1.57 C=CCCCNC1CCC1 34a_100000749019_100000757094 [1,0,0,1,0,0|1,0,1]=4 20301 B10R1.57 C=CCCCOC1CCC1 34a_100000748187_100000757094 [1,0,0,1,0,0|1,0,1]=4 20302 B10R1.57 C=CCCCOC1CCC1 34a_100000758997_100000749161 [1,0,0,1,0,0|1,0,1]=4 20303 B10R1.57 C=CCCCSC1CCC1 62a_100011713584_100000749161 [1,0,0,1,0,0|1,0,1]=4 20304 B10R1.57 C=CCCNCC1CCC1 2230a_100000738700_100000754431 [1,0,0,1,0,0|1,0,1]=4 20305 B10R1.57 C=CCCNCC1CCC1 2230a_100015191253_100000763275 [1,0,0,1,0,0|1,0,1]=4 20306 B10R1.57 C=CCCNCC1CCC1 269862a_100015191253_100000753134 [1,0,0,1,0,0|1,0,1]=4 20307 B10R1.57 C=CCCNCC1CCC1 34a_100000738700_100000754431 [1,0,0,1,0,0|1,0,1]=4 20308 B10R1.57 C=CCCOCC1CCC1 34a_100000760304_100000754431 [1,0,0,1,0,0|1,0,1]=4 20309 B10R1.57 C=CCCOCC1CCC1 34a_100011205117_100000763275 [1,0,0,1,0,0|1,0,1]=4 20310 B10R1.57 C=CCCSCC1CCC1 62a_100000754431_100000763275 [1,0,0,1,0,0|1,0,1]=4 20311 B10R1.57 C=CCCSCC1CCC1 62a_100000763275_100000754431 [1,0,0,1,0,0|1,0,1]=4 20312 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [1,0,0,1,0,0|1,0,1]=4 20313 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [1,0,0,1,0,0|1,0,1]=4 20314 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [1,0,0,1,0,0|1,0,1]=4 20315 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [1,0,0,1,0,0|1,0,1]=4 20316 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [1,0,0,1,0,0|1,0,1]=4 20317 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [1,0,0,1,0,0|1,0,1]=4 20318 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [1,0,0,1,0,0|1,0,1]=4 20319 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [1,0,0,1,0,0|1,0,1]=4 20320 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [1,0,0,1,0,0|1,0,1]=4 20321 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [1,0,0,1,0,0|1,0,1]=4 20322 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [1,0,0,1,0,0|1,0,1]=4 20323 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [1,0,0,1,0,0|1,0,1]=4 20324 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [1,0,0,1,0,0|1,0,1]=4 20325 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [1,0,0,1,0,0|1,0,1]=4 20326 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [1,0,0,1,0,0|1,0,1]=4 20327 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [1,0,0,1,0,0|1,0,1]=4 20328 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [1,0,0,1,0,0|1,0,1]=4 20329 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [1,0,0,1,0,0|1,0,1]=4 20330 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [1,0,0,1,0,0|1,0,1]=4 20331 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [1,0,0,1,0,0|1,0,1]=4 20332 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [1,0,0,1,0,0|1,0,1]=4 20333 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [1,0,0,1,0,0|1,0,1]=4 20334 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [1,0,0,1,0,0|1,0,1]=4 20335 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [1,0,0,1,0,0|1,0,1]=4 20336 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [1,0,0,1,0,0|1,0,1]=4 20337 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [1,0,0,1,0,0|1,0,1]=4 20338 B10R1.57 ClCCCCOC1CCC1 34a_100000210776_100000749161 [1,0,0,1,0,0|2,0,0]=4 20339 B10R1.57 ClCCCOCC1CCC1 34a_100000230001_100000763275 [1,0,0,1,0,0|2,0,0]=4 20340 B10R1.57 FCCCCCN1CCC1 269982a_100000754969_100000729378 [1,0,0,1,0,0|2,0,0]=4 20341 B10R1.57 FCCCCNC1CCC1 2230a_100000749019_100000729493 [1,0,0,1,0,0|2,0,0]=4 20342 B10R1.57 FCCCCNC1CCC1 34a_100000749019_100000729493 [1,0,0,1,0,0|2,0,0]=4 20343 B10R1.57 FCCCCOC1CCC1 34a_100000748187_100000729493 [1,0,0,1,0,0|2,0,0]=4 20344 B10R1.57 FCCCCOC1CCC1 34a_100011995726_100000749161 [1,0,0,1,0,0|2,0,0]=4 20345 B10R1.57 FCCCCSC1CCC1 62a_100000729493_100000749161 [1,0,0,1,0,0|2,0,0]=4 20346 B10R1.57 FCCCNCC1CCC1 2230a_100000738700_100011934791 [1,0,0,1,0,0|2,0,0]=4 20347 B10R1.57 FCCCNCC1CCC1 2230a_100015189416_100000763275 [1,0,0,1,0,0|2,0,0]=4 20348 B10R1.57 FCCCNCC1CCC1 269862a_100015189416_100000753134 [1,0,0,1,0,0|2,0,0]=4 20349 B10R1.57 FCCCNCC1CCC1 34a_100000738700_100011934791 [1,0,0,1,0,0|2,0,0]=4 20350 B10R1.57 FCCCNCC1CCC1 34a_100015189416_100000763275 [1,0,0,1,0,0|2,0,0]=4 20351 B10R1.57 FCCCOCC1CCC1 34a_100000759539_100000763275 [1,0,0,1,0,0|2,0,0]=4 20352 B10R1.57 FCCCOCC1CCC1 34a_100000760304_100011934791 [1,0,0,1,0,0|2,0,0]=4 20353 B10R1.57 FCCCSCC1CCC1 62a_100000763275_100011934791 [1,0,0,1,0,0|2,0,0]=4 20354 B10R1.57 FCCCSCC1CCC1 62a_100011934791_100000763275 [1,0,0,1,0,0|2,0,0]=4 20355 B10R1.57 ICCCCOC1CCC1 34a_200012148704_100000749161 [1,0,0,1,0,0|2,0,0]=4 20356 B10R1.57 NCCCCOC1CCC1 34a_100000750430_100000749161 [1,0,0,1,0,0|2,0,0]=4 20357 B10R1.57 NCCCOCC1CCC1 34a_100000182051_100000763275 [1,0,0,1,0,0|2,0,0]=4 20358 B10R1.57 O=CCCCCN1CCC1 269982a_100000754969_100000139335 [1,0,0,1,0,0|1,0,0]=3 20359 B10R1.57 O=CCCCNC1CCC1 2230a_100000749019_200011292268 [1,0,0,1,0,0|1,0,0]=3 20360 B10R1.57 O=CCCCNC1COC1 2230a_100016991112_200011292268 [1,0,0,1,0,0|2,0,0]=4 20361 B10R1.57 O=CCCCOC1CSC1 7a_100000072292_200011292268 [1,0,0,1,0,0|2,0,0]=4 20362 B10R1.57 O=CCCCSC1CCC1 62a_200011292268_100000749161 [1,0,0,1,0,0|1,0,0]=3 20363 B10R1.57 O=CCCCSC1COC1 62a_200011292268_100009818527 [1,0,0,1,0,0|2,0,0]=4 20364 B10R1.57 O=CCOCCC1COC1 34a_100009855314_200009817547 [1,0,0,1,0,0|2,0,0]=4 20365 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [1,0,0,1,0,0|1,0,1]=4 20366 B10R1.57 OCCCCNC1CCC1 2230a_100000749019_100000210776 [1,0,0,1,0,0|1,0,1]=4 20367 B10R1.57 OCCCCNC1CCC1 270004a_100000750430_100000241760 [1,0,0,1,0,0|1,0,1]=4 20368 B10R1.57 OCCCCNC1CCC1 34a_100000749019_100011216708 [1,0,0,1,0,0|1,0,1]=4 20369 B10R1.57 OCCCCNC1CCC1 34a_100000750430_100000749161 [1,0,0,1,0,0|1,0,1]=4 20370 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [1,0,0,1,0,0|1,0,1]=4 20371 B10R1.57 OCCCCSC1CCC1 62a_100000210776_100000749161 [1,0,0,1,0,0|1,0,1]=4 20372 B10R1.57 OCCCNCC1CCC1 2230a_100000738700_100000230001 [1,0,0,1,0,0|1,0,1]=4 20373 B10R1.57 OCCCNCC1CCC1 269862a_100000182051_100000753134 [1,0,0,1,0,0|1,0,1]=4 20374 B10R1.57 OCCCNCC1CCC1 34a_100000738700_100000230001 [1,0,0,1,0,0|1,0,1]=4 20375 B10R1.57 OCCCOCC1CCC1 34a_100000760304_100000230001 [1,0,0,1,0,0|1,0,1]=4 20376 B10R1.57 OCCCSCC1CCC1 62a_100000763275_100011215043 [1,0,0,1,0,0|1,0,1]=4 20377 B10R1.57 OCCCSCC1CCC1 62a_100011215043_100000763275 [1,0,0,1,0,0|1,0,1]=4 20378 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [1,0,0,1,0,0|1,0,1]=4 20379 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [1,0,0,1,0,0|1,0,1]=4 20380 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [1,0,0,1,0,0|1,0,1]=4 20381 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [1,0,0,1,0,0|1,0,1]=4 20382 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [1,0,0,1,0,0|1,0,1]=4 20383 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [1,0,0,1,0,0|1,0,1]=4 20384 B10R1.85 C=CCN1CCCCCC1 2230a_100000185865_100000210623 [1,0,0,1,0,0|1,0,1]=4 20385 B10R1.85 C=CCN1CCCCCC1 269982a_100000185865_100000210623 [1,0,0,1,0,0|1,0,1]=4 20386 B10R1.85 C=CCN1CCCCCC1 34a_100000185865_100015514636 [1,0,0,1,0,0|1,0,1]=4 20387 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [1,0,0,1,0,0|1,0,1]=4 20388 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [1,0,0,1,0,0|1,0,1]=4 20389 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [1,0,0,1,0,0|1,0,1]=4 20390 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [1,0,0,1,0,0|1,0,1]=4 20391 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [1,0,0,1,0,0|1,0,1]=4 20392 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [1,0,0,1,0,0|1,0,1]=4 20393 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [1,0,0,1,0,0|1,0,1]=4 20394 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [1,0,0,1,0,0|1,0,1]=4 20395 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [1,0,0,1,0,0|1,0,1]=4 20396 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [1,0,0,1,0,0|1,0,1]=4 20397 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [1,0,0,1,0,0|1,0,1]=4 20398 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [1,0,0,1,0,0|1,0,1]=4 20399 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [1,0,0,1,0,0|1,0,1]=4 20400 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [1,0,0,1,0,0|1,0,1]=4 20401 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [1,0,0,1,0,0|1,0,1]=4 20402 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [1,0,0,1,0,0|1,0,1]=4 20403 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [1,0,0,1,0,0|1,0,1]=4 20404 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [1,0,0,1,0,0|1,0,1]=4 20405 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [1,0,0,1,0,0|1,0,1]=4 20406 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [1,0,0,1,0,0|1,0,1]=4 20407 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [1,0,0,1,0,0|1,0,1]=4 20408 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [1,0,0,1,0,0|1,0,1]=4 20409 B10R1.85 FCCN1CCCCCC1 2230a_100000185865_100011217306 [1,0,0,1,0,0|2,0,0]=4 20410 B10R1.85 FCCN1CCCCCC1 269982a_100000185865_100011217306 [1,0,0,1,0,0|2,0,0]=4 20411 B10R1.85 FCCN1CCCCCC1 34a_100000185865_100011217306 [1,0,0,1,0,0|2,0,0]=4 20412 B10R1.85 FCNC1CCCCCC1 34a_100000210984_100015361967 [1,0,0,1,0,0|2,0,0]=4 20413 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [1,0,0,1,0,0|2,0,0]=4 20414 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [1,0,0,1,0,0|2,0,0]=4 20415 B10R1.85 FCSC1CCCCCC1 62a_100011217769_100015361967 [1,0,0,1,0,0|2,0,0]=4 20416 B10R1.85 FCSC1CCCCCC1 62a_100015361967_100011217769 [1,0,0,1,0,0|2,0,0]=4 20417 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [1,0,0,1,0,0|1,0,0]=3 20418 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [1,0,0,1,0,0|1,0,0]=3 20419 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [1,0,0,1,0,0|1,0,0]=3 20420 B10R1.85 O=CCN1CCCOCC1 2230a_100000685342_200015260668 [1,0,0,1,0,0|2,0,0]=4 20421 B10R1.85 O=CCN1CCCOCC1 269982a_100000685342_200015260668 [1,0,0,1,0,0|2,0,0]=4 20422 B10R1.85 O=CCN1CCCOCC1 34a_100000685342_200009817547 [1,0,0,1,0,0|2,0,0]=4 20423 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [1,0,0,1,0,0|1,0,1]=4 20424 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [1,0,0,1,0,0|1,0,1]=4 20425 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [1,0,0,1,0,0|1,0,1]=4 20426 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [1,0,0,1,0,0|1,0,1]=4 20427 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [1,0,0,1,0,0|1,0,1]=4 20428 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [1,0,0,1,0,0|1,0,1]=4 20429 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [1,0,0,1,0,0|1,0,1]=4 20430 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [1,0,0,1,0,0|1,0,1]=4 20431 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [1,0,0,1,0,0|1,0,1]=4 20432 B10R1.132 COCC1CCN1CC=O 2230a_100015195929_200015260668 [1,0,0,1,0,0|2,0,0]=4 20433 B10R1.132 COCC1CCN1CC=O 269982a_100015195929_200015260668 [1,0,0,1,0,0|2,0,0]=4 20434 B10R1.132 COCC1CCN1CC=O 34a_100015195929_200009817547 [1,0,0,1,0,0|2,0,0]=4 20435 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [1,0,0,1,0,0|1,0,1]=4 20436 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [1,0,0,1,0,0|1,0,1]=4 20437 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [1,0,0,1,0,0|1,0,1]=4 20438 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [1,0,0,1,0,0|1,0,1]=4 20439 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [1,0,0,1,0,0|1,0,1]=4 20440 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [1,0,0,1,0,0|1,0,1]=4 20441 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [1,0,0,1,0,0|1,0,1]=4 20442 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [1,0,0,1,0,0|1,0,1]=4 20443 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [1,0,0,1,0,0|1,0,1]=4 20444 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [1,0,0,1,0,0|2,0,0]=4 20445 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [1,0,0,1,0,0|2,0,0]=4 20446 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [1,0,0,1,0,0|1,0,1]=4 20447 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [1,0,0,1,0,0|1,0,1]=4 20448 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [1,0,0,1,0,0|1,0,1]=4 20449 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [1,0,0,1,0,0|1,0,1]=4 20450 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [1,0,0,1,0,0|1,0,1]=4 20451 B10R1.177 BrCCCCCOC1CC1 34a_100000746331_100000211595 [1,0,0,1,0,0|2,0,0]=4 20452 B10R1.177 BrCCCCOCC1CC1 34a_100011216708_100000742324 [1,0,0,1,0,0|2,0,0]=4 20453 B10R1.177 BrCCCOCCC1CC1 34a_100011217188_100000694398 [1,0,0,1,0,0|2,0,0]=4 20454 B10R1.177 C=CCCCCNC1CC1 34a_100000212008_100011215482 [1,0,0,1,0,0|1,0,1]=4 20455 B10R1.177 C=CCCCCNC1CC1 34a_100000703577_100000211595 [1,0,0,1,0,0|1,0,1]=4 20456 B10R1.177 C=CCCCCOC1CC1 34a_100000766645_100000211595 [1,0,0,1,0,0|1,0,1]=4 20457 B10R1.177 C=CCCCCSC1CC1 62a_100011215482_100000211595 [1,0,0,1,0,0|1,0,1]=4 20458 B10R1.177 C=CCCCNCC1CC1 2230a_100000700776_100000742324 [1,0,0,1,0,0|1,0,1]=4 20459 B10R1.177 C=CCCCNCC1CC1 2230a_100000735609_100011713584 [1,0,0,1,0,0|1,0,1]=4 20460 B10R1.177 C=CCCCNCC1CC1 269862a_100000700776_100000741477 [1,0,0,1,0,0|1,0,1]=4 20461 B10R1.177 C=CCCCNCC1CC1 34a_100000700776_100000742324 [1,0,0,1,0,0|1,0,1]=4 20462 B10R1.177 C=CCCCNCC1CC1 34a_100000735609_100000757094 [1,0,0,1,0,0|1,0,1]=4 20463 B10R1.177 C=CCCCOCC1CC1 34a_100000211283_100000757094 [1,0,0,1,0,0|1,0,1]=4 20464 B10R1.177 C=CCCCOCC1CC1 34a_100000758997_100000742324 [1,0,0,1,0,0|1,0,1]=4 20465 B10R1.177 C=CCCCOCC1CC1 7a_100000758997_100000742324 [1,0,0,1,0,0|1,0,1]=4 20466 B10R1.177 C=CCCCSCC1CC1 62a_100000756562_100000757094 [1,0,0,1,0,0|1,0,1]=4 20467 B10R1.177 C=CCCCSCC1CC1 62a_100011713584_100000742324 [1,0,0,1,0,0|1,0,1]=4 20468 B10R1.177 C=CCCNCCC1CC1 2230a_100015191253_100000694398 [1,0,0,1,0,0|1,0,1]=4 20469 B10R1.177 C=CCCNCCC1CC1 34a_100000764129_100000754431 [1,0,0,1,0,0|1,0,1]=4 20470 B10R1.177 C=CCCOCCC1CC1 34a_100000754188_100000754431 [1,0,0,1,0,0|1,0,1]=4 20471 B10R1.177 C=CCCOCCC1CC1 34a_100011205117_100000694398 [1,0,0,1,0,0|1,0,1]=4 20472 B10R1.177 C=CCCOCCC1CC1 7a_100000754188_100000754431 [1,0,0,1,0,0|1,0,1]=4 20473 B10R1.177 C=CCCSCCC1CC1 62a_100000754431_100000764125 [1,0,0,1,0,0|1,0,1]=4 20474 B10R1.177 C=CCCSCCC1CC1 62a_100000764125_100000754431 [1,0,0,1,0,0|1,0,1]=4 20475 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [1,0,0,1,0,0|1,0,1]=4 20476 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [1,0,0,1,0,0|1,0,1]=4 20477 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [1,0,0,1,0,0|1,0,1]=4 20478 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [1,0,0,1,0,0|1,0,1]=4 20479 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [1,0,0,1,0,0|1,0,1]=4 20480 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [1,0,0,1,0,0|1,0,1]=4 20481 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [1,0,0,1,0,0|1,0,1]=4 20482 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [1,0,0,1,0,0|1,0,1]=4 20483 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [1,0,0,1,0,0|1,0,1]=4 20484 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [1,0,0,1,0,0|1,0,1]=4 20485 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [1,0,0,1,0,0|1,0,1]=4 20486 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [1,0,0,1,0,0|1,0,1]=4 20487 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [1,0,0,1,0,0|1,0,1]=4 20488 B10R1.177 CCCCCOCC1CS1 7a_100000210253_100000031435 [1,0,0,1,0,0|1,1,0]=4 20489 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [1,0,0,1,0,0|1,0,1]=4 20490 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [1,0,0,1,0,0|1,0,1]=4 20491 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [1,0,0,1,0,0|1,0,1]=4 20492 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [1,0,0,1,0,0|1,0,1]=4 20493 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [1,0,0,1,0,0|1,0,1]=4 20494 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [1,0,0,1,0,0|1,0,1]=4 20495 B10R1.177 CCCCCSCC1CS1 62a_100000031435_100000210326 [1,0,0,1,0,0|1,1,0]=4 20496 B10R1.177 CCCCCSCC1CS1 62a_100000210326_100000031435 [1,0,0,1,0,0|1,1,0]=4 20497 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [1,0,0,1,0,0|1,0,1]=4 20498 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [1,0,0,1,0,0|1,0,1]=4 20499 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [1,0,0,1,0,0|1,0,1]=4 20500 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [1,0,0,1,0,0|1,0,1]=4 20501 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [1,0,0,1,0,0|1,0,1]=4 20502 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [1,0,0,1,0,0|1,0,1]=4 20503 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [1,0,0,1,0,0|1,0,1]=4 20504 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [1,0,0,1,0,0|1,0,1]=4 20505 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [1,0,0,1,0,0|1,0,1]=4 20506 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [1,0,0,1,0,0|1,0,1]=4 20507 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [1,0,0,1,0,0|1,0,1]=4 20508 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [1,0,0,1,0,0|1,0,1]=4 20509 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [1,0,0,1,0,0|1,0,1]=4 20510 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [1,0,0,1,0,0|1,0,1]=4 20511 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [1,0,0,1,0,0|1,0,1]=4 20512 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [1,0,0,1,0,0|1,0,1]=4 20513 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [1,0,0,1,0,0|1,0,1]=4 20514 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [1,0,0,1,0,0|1,0,1]=4 20515 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [1,0,0,1,0,0|1,0,1]=4 20516 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [1,0,0,1,0,0|1,0,1]=4 20517 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [1,0,0,1,0,0|1,0,1]=4 20518 B10R1.177 ClCCCCCOC1CC1 34a_100000746330_100000211595 [1,0,0,1,0,0|2,0,0]=4 20519 B10R1.177 ClCCCCOCC1CC1 34a_100000210776_100000742324 [1,0,0,1,0,0|2,0,0]=4 20520 B10R1.177 ClCCCCOCC1CC1 7a_100000210776_100000742324 [1,0,0,1,0,0|2,0,0]=4 20521 B10R1.177 ClCCCOCCC1CC1 34a_100000230001_100000694398 [1,0,0,1,0,0|2,0,0]=4 20522 B10R1.177 FCCCCCNC1CC1 34a_100000212008_100000729378 [1,0,0,1,0,0|2,0,0]=4 20523 B10R1.177 FCCCCCSC1CC1 62a_100000729378_100000211595 [1,0,0,1,0,0|2,0,0]=4 20524 B10R1.177 FCCCCNCC1CC1 2230a_100000735609_100000729493 [1,0,0,1,0,0|2,0,0]=4 20525 B10R1.177 FCCCCNCC1CC1 34a_100000735609_100000729493 [1,0,0,1,0,0|2,0,0]=4 20526 B10R1.177 FCCCCOCC1CC1 34a_100000211283_100000729493 [1,0,0,1,0,0|2,0,0]=4 20527 B10R1.177 FCCCCOCC1CC1 34a_100011995726_100000742324 [1,0,0,1,0,0|2,0,0]=4 20528 B10R1.177 FCCCCOCC1CC1 7a_100011995726_100000742324 [1,0,0,1,0,0|2,0,0]=4 20529 B10R1.177 FCCCCSCC1CC1 62a_100000729493_100000742324 [1,0,0,1,0,0|2,0,0]=4 20530 B10R1.177 FCCCCSCC1CC1 62a_100000756562_100000729493 [1,0,0,1,0,0|2,0,0]=4 20531 B10R1.177 FCCCNCCC1CC1 2230a_100015189416_100000694398 [1,0,0,1,0,0|2,0,0]=4 20532 B10R1.177 FCCCNCCC1CC1 34a_100000764129_100011934791 [1,0,0,1,0,0|2,0,0]=4 20533 B10R1.177 FCCCNCCC1CC1 34a_100015189416_100000694398 [1,0,0,1,0,0|2,0,0]=4 20534 B10R1.177 FCCCOCCC1CC1 34a_100000754188_100011934791 [1,0,0,1,0,0|2,0,0]=4 20535 B10R1.177 FCCCOCCC1CC1 34a_100000759539_100000694398 [1,0,0,1,0,0|2,0,0]=4 20536 B10R1.177 FCCCOCCC1CC1 7a_100000754188_100011934791 [1,0,0,1,0,0|2,0,0]=4 20537 B10R1.177 FCCCSCCC1CC1 62a_100000764125_100011934791 [1,0,0,1,0,0|2,0,0]=4 20538 B10R1.177 FCCCSCCC1CC1 62a_100011934791_100000764125 [1,0,0,1,0,0|2,0,0]=4 20539 B10R1.177 ICCCCCOC1CC1 34a_200012148887_100000211595 [1,0,0,1,0,0|2,0,0]=4 20540 B10R1.177 ICCCCOCC1CC1 34a_200012148704_100000742324 [1,0,0,1,0,0|2,0,0]=4 20541 B10R1.177 NCCCCCOC1CC1 34a_100000762737_100000211595 [1,0,0,1,0,0|2,0,0]=4 20542 B10R1.177 NCCCCOCC1CC1 34a_100000750430_100000742324 [1,0,0,1,0,0|2,0,0]=4 20543 B10R1.177 NCCCOCCC1CC1 34a_100000182051_100000694398 [1,0,0,1,0,0|2,0,0]=4 20544 B10R1.177 O=CCCCCSC1CC1 62a_100000139335_100000211595 [1,0,0,1,0,0|1,0,0]=3 20545 B10R1.177 O=CCCCNCC1CC1 2230a_100000735609_200011292268 [1,0,0,1,0,0|1,0,0]=3 20546 B10R1.177 O=CCCCSCC1CC1 62a_100000756562_200011292268 [1,0,0,1,0,0|1,0,0]=3 20547 B10R1.177 O=CCCCSCC1CC1 62a_200011292268_100000742324 [1,0,0,1,0,0|1,0,0]=3 20548 B10R1.177 O=CCCCSCC1CO1 62a_102125554688_200011292268 [1,0,0,1,0,0|2,0,0]=4 20549 B10R1.177 O=CCCCSCC1CO1 62a_200011292268_102125554688 [1,0,0,1,0,0|2,0,0]=4 20550 B10R1.177 O=CCCCSCC1CS1 62a_100000031435_200011292268 [1,0,0,1,0,0|2,0,0]=4 20551 B10R1.177 O=CCCCSCC1CS1 62a_200011292268_100000031435 [1,0,0,1,0,0|2,0,0]=4 20552 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_100000745022_200011292268 [1,0,0,1,0,0|2,0,0]=4 20553 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_200011292268_100000745022 [1,0,0,1,0,0|2,0,0]=4 20554 B10R1.177 O=CCOCCNC1CC1 34a_100000738766_200009817547 [1,0,0,1,0,0|2,0,0]=4 20555 B10R1.177 O=CCSCCCC1CO1 62a_100000733510_200015260668 [1,0,0,1,0,0|2,0,0]=4 20556 B10R1.177 O=CCSCCCC1CO1 62a_200015260668_100000733510 [1,0,0,1,0,0|2,0,0]=4 20557 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [1,0,0,1,0,0|1,0,1]=4 20558 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [1,0,0,1,0,0|1,0,1]=4 20559 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [1,0,0,1,0,0|1,0,1]=4 20560 B10R1.177 OCCCCNCC1CC1 2230a_100000735609_100000210776 [1,0,0,1,0,0|1,0,1]=4 20561 B10R1.177 OCCCCNCC1CC1 2230a_100000750430_100000742324 [1,0,0,1,0,0|1,0,1]=4 20562 B10R1.177 OCCCCNCC1CC1 269862a_100000750430_100000741477 [1,0,0,1,0,0|1,0,1]=4 20563 B10R1.177 OCCCCNCC1CC1 34a_100000735609_100011216708 [1,0,0,1,0,0|1,0,1]=4 20564 B10R1.177 OCCCCNCC1CC1 34a_100000750430_100000742324 [1,0,0,1,0,0|1,0,1]=4 20565 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [1,0,0,1,0,0|1,0,1]=4 20566 B10R1.177 OCCCCSCC1CC1 62a_100000210776_100000742324 [1,0,0,1,0,0|1,0,1]=4 20567 B10R1.177 OCCCCSCC1CC1 62a_100000756562_100000210776 [1,0,0,1,0,0|1,0,1]=4 20568 B10R1.177 OCCCNCCC1CC1 34a_100000764129_100000230001 [1,0,0,1,0,0|1,0,1]=4 20569 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [1,0,0,1,0,0|1,0,1]=4 20570 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [1,0,0,1,0,0|1,0,1]=4 20571 B10R1.177 OCCCSCCC1CC1 62a_100000764125_100011215043 [1,0,0,1,0,0|1,0,1]=4 20572 B10R1.177 OCCCSCCC1CC1 62a_100011215043_100000764125 [1,0,0,1,0,0|1,0,1]=4 20573 B12R1.8 BrCCCCOC1CCCCC1 34a_100011216708_100000210327 [0,1,0,1,0,0|1,0,1]=4 20574 B12R1.8 BrCCCOCC1CCCCC1 34a_100011217188_100000211423 [0,1,0,1,0,0|1,0,1]=4 20575 B12R1.8 BrCCOCCC1CCCCC1 34a_100000211926_100011209188 [0,1,0,1,0,0|1,0,1]=4 20576 B12R1.8 C#CCCCNC1CCCCC1 2230a_100000182618_100000731252 [0,1,0,1,0,0|1,0,1]=4 20577 B12R1.8 C#CCCCNC1CCCCC1 270004a_100000718082_100000210434 [0,1,0,1,0,0|1,0,1]=4 20578 B12R1.8 C#CCCCNC1CCCCC1 34a_100000182618_100000695029 [0,1,0,1,0,0|1,0,1]=4 20579 B12R1.8 C#CCCCNC1CCCCC1 34a_100000718082_100000210327 [0,1,0,1,0,0|1,0,1]=4 20580 B12R1.8 C#CCCCOC1CCCCC1 34a_100000210231_100000695029 [0,1,0,1,0,0|1,0,1]=4 20581 B12R1.8 C#CCCCOC1CCCCC1 34a_100000215630_100000210327 [0,1,0,1,0,0|1,0,1]=4 20582 B12R1.8 C#CCCCOC1CCCCC1 7a_100000210231_100011215417 [0,1,0,1,0,0|1,0,1]=4 20583 B12R1.8 C#CCCCOC1CCCCC1 7a_100000215630_100000210327 [0,1,0,1,0,0|1,0,1]=4 20584 B12R1.8 C#CCCCSC1CCCCC1 62a_100000210327_100011215417 [0,1,0,1,0,0|1,0,1]=4 20585 B12R1.8 C#CCCCSC1CCCCC1 62a_100011215417_100000210327 [0,1,0,1,0,0|1,0,1]=4 20586 B12R1.8 C#CCCNCC1CCCCC1 2230a_100000210473_100000688953 [0,1,0,1,0,0|1,0,1]=4 20587 B12R1.8 C#CCCNCC1CCCCC1 34a_100000210473_100000688953 [0,1,0,1,0,0|1,0,1]=4 20588 B12R1.8 C#CCCNCC1CCCCC1 34a_100000755551_100000211423 [0,1,0,1,0,0|1,0,1]=4 20589 B12R1.8 C#CCCOCC1CCCCC1 34a_100000212181_100000688953 [0,1,0,1,0,0|1,0,1]=4 20590 B12R1.8 C#CCCOCC1CCCCC1 34a_100011215631_100000211423 [0,1,0,1,0,0|1,0,1]=4 20591 B12R1.8 C#CCCOCC1CCCCC1 7a_100000212181_100000688953 [0,1,0,1,0,0|1,0,1]=4 20592 B12R1.8 C#CCCSCC1CCCCC1 62a_100000211423_100000688953 [0,1,0,1,0,0|1,0,1]=4 20593 B12R1.8 C#CCCSCC1CCCCC1 62a_100000688953_100000211423 [0,1,0,1,0,0|1,0,1]=4 20594 B12R1.8 C#CCNCCC1CCCCC1 2230a_100000738074_100000038162 [0,1,0,1,0,0|1,0,1]=4 20595 B12R1.8 C#CCNCCC1CCCCC1 34a_100000212058_100011209188 [0,1,0,1,0,0|1,0,1]=4 20596 B12R1.8 C#CCNCCC1CCCCC1 34a_100000738074_100000184674 [0,1,0,1,0,0|1,0,1]=4 20597 B12R1.8 C#CCOCCC1CCCCC1 34a_100000210247_100011209188 [0,1,0,1,0,0|1,0,1]=4 20598 B12R1.8 C#CCOCCC1CCCCC1 34a_100011217863_100000184674 [0,1,0,1,0,0|1,0,1]=4 20599 B12R1.8 C#CCOCCC1CCCCC1 7a_100011217863_100000038162 [0,1,0,1,0,0|1,0,1]=4 20600 B12R1.8 C#CCSCCC1CCCCC1 62a_100000038162_100012355289 [0,1,0,1,0,0|1,0,1]=4 20601 B12R1.8 C/C=C/CCOC1CCCCC1 34a_100016278192_100000210327 [0,1,0,1,0,0|1,0,1]=4 20602 B12R1.8 C/C=C/CNCC1CCCCC1 34a_100000210473_100102629194 [0,1,0,1,0,0|1,0,1]=4 20603 B12R1.8 C/C=C/COCC1CCCCC1 34a_100000212181_100102629194 [0,1,0,1,0,0|1,0,1]=4 20604 B12R1.8 C/C=C/COCC1CCCCC1 34a_100016270725_100000211423 [0,1,0,1,0,0|1,0,1]=4 20605 B12R1.8 C/C=C/COCC1CCCCC1 7a_100000212181_100102629194 [0,1,0,1,0,0|1,0,1]=4 20606 B12R1.8 C/C=C/CSCC1CCCCC1 62a_100000211423_100102629194 [0,1,0,1,0,0|1,0,1]=4 20607 B12R1.8 C/C=C/CSCC1CCCCC1 62a_100102629194_100000211423 [0,1,0,1,0,0|1,0,1]=4 20608 B12R1.8 C=CCCCCN1CCCOC1 2230a_100000131196_100011215482 [0,1,0,1,0,0|2,0,0]=4 20609 B12R1.8 C=CCCCCN1CCCOC1 269982a_100000131196_100011215482 [0,1,0,1,0,0|2,0,0]=4 20610 B12R1.8 C=CCCCCN1CCCOC1 34a_100000131196_100011215482 [0,1,0,1,0,0|2,0,0]=4 20611 B12R1.8 C=CCCCCN1CCOCC1 2230a_100015191051_100011215482 [0,1,0,1,0,0|2,0,0]=4 20612 B12R1.8 C=CCCCCN1CCOCC1 269982a_100015191051_100011215482 [0,1,0,1,0,0|2,0,0]=4 20613 B12R1.8 C=CCCCCN1CCOCC1 34a_100015191051_100011215482 [0,1,0,1,0,0|2,0,0]=4 20614 B12R1.8 C=CCCCCN1CCSCC1 2230a_100000737611_100011215482 [0,1,0,1,0,0|2,0,0]=4 20615 B12R1.8 C=CCCCCN1CCSCC1 269982a_100000737611_100011215482 [0,1,0,1,0,0|2,0,0]=4 20616 B12R1.8 C=CCCCNC1CCCCC1 2230a_100000182618_100011713584 [0,1,0,1,0,0|1,0,0]=3 20617 B12R1.8 C=CCCCNC1CCCCC1 270004a_100000700776_100000210434 [0,1,0,1,0,0|1,0,0]=3 20618 B12R1.8 C=CCCCNC1CCCCC1 34a_100000182618_100000757094 [0,1,0,1,0,0|1,0,0]=3 20619 B12R1.8 C=CCCCNC1CCCCC1 34a_100000700776_100000210327 [0,1,0,1,0,0|1,0,0]=3 20620 B12R1.8 C=CCCCNC1CCCOC1 2230a_100000719290_100011713584 [0,1,0,1,0,0|2,0,0]=4 20621 B12R1.8 C=CCCCNC1CCCOC1 270004a_100000700776_100000753404 [0,1,0,1,0,0|2,0,0]=4 20622 B12R1.8 C=CCCCNC1CCCOC1 34a_100000700776_100000693364 [0,1,0,1,0,0|2,0,0]=4 20623 B12R1.8 C=CCCCNC1CCCOC1 34a_100000719290_100000757094 [0,1,0,1,0,0|2,0,0]=4 20624 B12R1.8 C=CCCCNC1CCCSC1 270004a_100000700776_100000057913 [0,1,0,1,0,0|2,0,0]=4 20625 B12R1.8 C=CCCCNC1CCNCC1 270004a_100000700776_100015192401 [0,1,0,1,0,0|2,0,0]=4 20626 B12R1.8 C=CCCCNC1CCOCC1 2230a_100000741149_100011713584 [0,1,0,1,0,0|2,0,0]=4 20627 B12R1.8 C=CCCCNC1CCOCC1 270004a_100000700776_100011217826 [0,1,0,1,0,0|2,0,0]=4 20628 B12R1.8 C=CCCCNC1CCOCC1 34a_100000741149_100000757094 [0,1,0,1,0,0|2,0,0]=4 20629 B12R1.8 C=CCCCNC1CCSCC1 2230a_100000748639_100011713584 [0,1,0,1,0,0|2,0,0]=4 20630 B12R1.8 C=CCCCNC1CCSCC1 270004a_100000700776_100000203788 [0,1,0,1,0,0|2,0,0]=4 20631 B12R1.8 C=CCCCNC1CCSCC1 34a_100000700776_100000069128 [0,1,0,1,0,0|2,0,0]=4 20632 B12R1.8 C=CCCCNC1CCSCC1 34a_100000748639_100000757094 [0,1,0,1,0,0|2,0,0]=4 20633 B12R1.8 C=CCCCOC1CCCCC1 34a_100000210231_100000757094 [0,1,0,1,0,0|1,0,0]=3 20634 B12R1.8 C=CCCCOC1CCCCC1 34a_100000758997_100000210327 [0,1,0,1,0,0|1,0,0]=3 20635 B12R1.8 C=CCCCOC1CCCCC1 7a_100000210231_100000757094 [0,1,0,1,0,0|1,0,0]=3 20636 B12R1.8 C=CCCCOC1CCCCC1 7a_100000758997_100000210327 [0,1,0,1,0,0|1,0,0]=3 20637 B12R1.8 C=CCCCOC1CCCCO1 34a_100000033831_100000757094 [0,1,0,1,0,0|2,0,0]=4 20638 B12R1.8 C=CCCCOC1CCCOC1 34a_100000754041_100000757094 [0,1,0,1,0,0|2,0,0]=4 20639 B12R1.8 C=CCCCOC1CCCOC1 34a_100000758997_100000693364 [0,1,0,1,0,0|2,0,0]=4 20640 B12R1.8 C=CCCCOC1CCCOC1 7a_100000758997_100000693364 [0,1,0,1,0,0|2,0,0]=4 20641 B12R1.8 C=CCCCOC1CCCSC1 7a_100015962668_100000757094 [0,1,0,1,0,0|2,0,0]=4 20642 B12R1.8 C=CCCCOC1CCOCC1 34a_100000744328_100000757094 [0,1,0,1,0,0|2,0,0]=4 20643 B12R1.8 C=CCCCOC1CCOCC1 7a_100000758997_100000686592 [0,1,0,1,0,0|2,0,0]=4 20644 B12R1.8 C=CCCCOC1CCSCC1 34a_100000731022_100000757094 [0,1,0,1,0,0|2,0,0]=4 20645 B12R1.8 C=CCCCOC1CCSCC1 34a_100000758997_100000069128 [0,1,0,1,0,0|2,0,0]=4 20646 B12R1.8 C=CCCCOC1CCSCC1 7a_100000731022_100000757094 [0,1,0,1,0,0|2,0,0]=4 20647 B12R1.8 C=CCCCOC1CCSCC1 7a_100000758997_100011500858 [0,1,0,1,0,0|2,0,0]=4 20648 B12R1.8 C=CCCCSC1CCCCC1 62a_100000210327_100000757094 [0,1,0,1,0,0|1,0,0]=3 20649 B12R1.8 C=CCCCSC1CCCCC1 62a_100011713584_100000210327 [0,1,0,1,0,0|1,0,0]=3 20650 B12R1.8 C=CCCCSC1CCCOC1 62a_100011713584_100000693364 [0,1,0,1,0,0|2,0,0]=4 20651 B12R1.8 C=CCCCSC1CCOCC1 62a_100011713584_100011324220 [0,1,0,1,0,0|2,0,0]=4 20652 B12R1.8 C=CCCCSC1CCSCC1 62a_100011713584_100000069128 [0,1,0,1,0,0|2,0,0]=4 20653 B12R1.8 C=CCCNCC1CCCCC1 2230a_100000210473_100000754431 [0,1,0,1,0,0|1,0,0]=3 20654 B12R1.8 C=CCCNCC1CCCCC1 2230a_100015191253_100000211423 [0,1,0,1,0,0|1,0,0]=3 20655 B12R1.8 C=CCCNCC1CCCCC1 269862a_100015191253_100000211278 [0,1,0,1,0,0|1,0,0]=3 20656 B12R1.8 C=CCCNCC1CCCCC1 34a_100000210473_100000754431 [0,1,0,1,0,0|1,0,0]=3 20657 B12R1.8 C=CCCNCC1CCCCO1 2230a_100000174945_100000754431 [0,1,0,1,0,0|2,0,0]=4 20658 B12R1.8 C=CCCNCC1CCCCO1 2230a_100015191253_100000211543 [0,1,0,1,0,0|2,0,0]=4 20659 B12R1.8 C=CCCNCC1CCCCO1 34a_100000174945_100000754431 [0,1,0,1,0,0|2,0,0]=4 20660 B12R1.8 C=CCCNCC1CCCOC1 2230a_100000720124_100000754431 [0,1,0,1,0,0|2,0,0]=4 20661 B12R1.8 C=CCCNCC1CCCOC1 2230a_100015191253_100000741521 [0,1,0,1,0,0|2,0,0]=4 20662 B12R1.8 C=CCCNCC1CCCOC1 34a_100000720124_100000754431 [0,1,0,1,0,0|2,0,0]=4 20663 B12R1.8 C=CCCNCC1CCOCC1 2230a_100000746373_100000754431 [0,1,0,1,0,0|2,0,0]=4 20664 B12R1.8 C=CCCNCC1CCOCC1 2230a_100015191253_100000754603 [0,1,0,1,0,0|2,0,0]=4 20665 B12R1.8 C=CCCNCC1CCOCC1 269862a_100015191253_100000749017 [0,1,0,1,0,0|2,0,0]=4 20666 B12R1.8 C=CCCNCC1CCOCC1 34a_100000746373_100000754431 [0,1,0,1,0,0|2,0,0]=4 20667 B12R1.8 C=CCCNCC1CCSCC1 2230a_100015188806_100000754431 [0,1,0,1,0,0|2,0,0]=4 20668 B12R1.8 C=CCCNCC1CCSCC1 269862a_100015191253_100000067145 [0,1,0,1,0,0|2,0,0]=4 20669 B12R1.8 C=CCCNCC1CCSCC1 270004a_100015191253_100000067145 [0,1,0,1,0,0|2,0,0]=4 20670 B12R1.8 C=CCCNCC1CCSCC1 34a_100015188806_100000754431 [0,1,0,1,0,0|2,0,0]=4 20671 B12R1.8 C=CCCOCC1CCCCC1 34a_100000212181_100000754431 [0,1,0,1,0,0|1,0,0]=3 20672 B12R1.8 C=CCCOCC1CCCCC1 34a_100011205117_100000211423 [0,1,0,1,0,0|1,0,0]=3 20673 B12R1.8 C=CCCOCC1CCCCC1 7a_100000212181_100000754431 [0,1,0,1,0,0|1,0,0]=3 20674 B12R1.8 C=CCCOCC1CCCCN1 34a_100000210821_100000754431 [0,1,0,1,0,0|2,0,0]=4 20675 B12R1.8 C=CCCOCC1CCCCO1 34a_100000211370_100000754431 [0,1,0,1,0,0|2,0,0]=4 20676 B12R1.8 C=CCCOCC1CCCCO1 34a_100011205117_100000211543 [0,1,0,1,0,0|2,0,0]=4 20677 B12R1.8 C=CCCOCC1CCCCO1 7a_100000211370_100000754431 [0,1,0,1,0,0|2,0,0]=4 20678 B12R1.8 C=CCCOCC1CCCNC1 34a_100000211344_100000754431 [0,1,0,1,0,0|2,0,0]=4 20679 B12R1.8 C=CCCOCC1CCCOC1 34a_100000741520_100000754431 [0,1,0,1,0,0|2,0,0]=4 20680 B12R1.8 C=CCCOCC1CCCOC1 34a_100011205117_100000741521 [0,1,0,1,0,0|2,0,0]=4 20681 B12R1.8 C=CCCOCC1CCNCC1 34a_100000738675_100000754431 [0,1,0,1,0,0|2,0,0]=4 20682 B12R1.8 C=CCCOCC1CCOCC1 34a_100000749013_100000754431 [0,1,0,1,0,0|2,0,0]=4 20683 B12R1.8 C=CCCOCC1CCOCC1 34a_100011205117_100000754603 [0,1,0,1,0,0|2,0,0]=4 20684 B12R1.8 C=CCCOCC1CCSCC1 34a_100000070558_100000754431 [0,1,0,1,0,0|2,0,0]=4 20685 B12R1.8 C=CCCOCC1CCSCC1 7a_100000070558_100000754431 [0,1,0,1,0,0|2,0,0]=4 20686 B12R1.8 C=CCCSCC1CCCCC1 62a_100000211423_100000754431 [0,1,0,1,0,0|1,0,0]=3 20687 B12R1.8 C=CCCSCC1CCCCC1 62a_100000754431_100000211423 [0,1,0,1,0,0|1,0,0]=3 20688 B12R1.8 C=CCCSCC1CCCCO1 62a_100000211543_100000754431 [0,1,0,1,0,0|2,0,0]=4 20689 B12R1.8 C=CCCSCC1CCCCO1 62a_100000754431_100000211543 [0,1,0,1,0,0|2,0,0]=4 20690 B12R1.8 C=CCCSCC1CCCOC1 62a_100000741521_100000754431 [0,1,0,1,0,0|2,0,0]=4 20691 B12R1.8 C=CCCSCC1CCCOC1 62a_100000754431_100000741521 [0,1,0,1,0,0|2,0,0]=4 20692 B12R1.8 C=CCCSCC1CCOCC1 62a_100000754431_100000749018 [0,1,0,1,0,0|2,0,0]=4 20693 B12R1.8 C=CCCSCC1CCOCC1 62a_100000754603_100000754431 [0,1,0,1,0,0|2,0,0]=4 20694 B12R1.8 C=CCNCCC1CCCCC1 2230a_100000738074_100000210623 [0,1,0,1,0,0|1,0,0]=3 20695 B12R1.8 C=CCNCCC1CCCCC1 2230a_100020586998_100012355289 [0,1,0,1,0,0|1,0,0]=3 20696 B12R1.8 C=CCNCCC1CCCCC1 270004a_100020586998_100011713444 [0,1,0,1,0,0|1,0,0]=3 20697 B12R1.8 C=CCNCCC1CCCCC1 34a_100000738074_100015514636 [0,1,0,1,0,0|1,0,0]=3 20698 B12R1.8 C=CCNCCC1CCCCO1 2230a_100015183643_100000210623 [0,1,0,1,0,0|2,0,0]=4 20699 B12R1.8 C=CCNCCC1CCCCO1 34a_100015183643_100015514636 [0,1,0,1,0,0|2,0,0]=4 20700 B12R1.8 C=CCNCCC1CCOCC1 2230a_100000755988_100000210623 [0,1,0,1,0,0|2,0,0]=4 20701 B12R1.8 C=CCNCCC1CCOCC1 2230a_100020586998_100011934994 [0,1,0,1,0,0|2,0,0]=4 20702 B12R1.8 C=CCNCCC1CCOCC1 34a_100000755988_100015514636 [0,1,0,1,0,0|2,0,0]=4 20703 B12R1.8 C=CCNCCN1CCCCC1 2230a_100020586998_100000739454 [0,1,0,1,0,0|2,0,0]=4 20704 B12R1.8 C=CCNCOC1CCCCC1 2230a_100020586998_100011935260 [0,1,0,1,0,0|2,0,0]=4 20705 B12R1.8 C=CCOCCC1CCCCC1 34a_100011217863_100015514636 [0,1,0,1,0,0|1,0,0]=3 20706 B12R1.8 C=CCOCCC1CCCCC1 34a_200000210373_100011209188 [0,1,0,1,0,0|1,0,0]=3 20707 B12R1.8 C=CCOCCC1CCCCC1 7a_100011217863_100015514636 [0,1,0,1,0,0|1,0,0]=3 20708 B12R1.8 C=CCOCCC1CCCCN1 34a_100000211664_100015514636 [0,1,0,1,0,0|2,0,0]=4 20709 B12R1.8 C=CCOCCC1CCCNC1 34a_100000752241_100015514636 [0,1,0,1,0,0|2,0,0]=4 20710 B12R1.8 C=CCOCCC1CCNCC1 34a_100015190746_100015514636 [0,1,0,1,0,0|2,0,0]=4 20711 B12R1.8 C=CCOCCC1CCOCC1 34a_100011933979_100015514636 [0,1,0,1,0,0|2,0,0]=4 20712 B12R1.8 C=CCOCCC1CCOCC1 34a_200000210373_100011934994 [0,1,0,1,0,0|2,0,0]=4 20713 B12R1.8 C=CCOCCC1CCOCC1 7a_100011933979_100015514636 [0,1,0,1,0,0|2,0,0]=4 20714 B12R1.8 C=CCOCCN1CCCCC1 34a_200000210373_100000739454 [0,1,0,1,0,0|2,0,0]=4 20715 B12R1.8 C=CCOCOC1CCCCC1 34a_200000210373_100011935260 [0,1,0,1,0,0|2,0,0]=4 20716 B12R1.8 C=CCSCCC1CCCCC1 62a_100000210623_100012355289 [0,1,0,1,0,0|1,0,0]=3 20717 B12R1.8 C=CCSCCC1CCCCC1 62a_100012355289_100000210623 [0,1,0,1,0,0|1,0,0]=3 20718 B12R1.8 C=CCSCCC1CCOCC1 62a_100000210623_100011934994 [0,1,0,1,0,0|2,0,0]=4 20719 B12R1.8 C=CCSCCC1CCOCC1 62a_100011934994_100000210623 [0,1,0,1,0,0|2,0,0]=4 20720 B12R1.8 C=CCSCCN1CCCCC1 62a_100000210623_100000739454 [0,1,0,1,0,0|2,0,0]=4 20721 B12R1.8 C=CCSCCN1CCCCC1 62a_100000739454_100000210623 [0,1,0,1,0,0|2,0,0]=4 20722 B12R1.8 C=CCSCOC1CCCCC1 62a_100000210623_100011935260 [0,1,0,1,0,0|2,0,0]=4 20723 B12R1.8 C=CCSCOC1CCCCC1 62a_100011935260_100000210623 [0,1,0,1,0,0|2,0,0]=4 20724 B12R1.8 C=COCCNC1CCCCC1 2230a_100000182618_100000039644 [0,1,0,1,0,0|2,0,0]=4 20725 B12R1.8 C=COCCNC1CCCCC1 34a_100000182618_100000039644 [0,1,0,1,0,0|2,0,0]=4 20726 B12R1.8 C=COCCOC1CCCCC1 34a_100000033082_100000210327 [0,1,0,1,0,0|2,0,0]=4 20727 B12R1.8 C=COCCOC1CCCCC1 34a_100000210231_100000039644 [0,1,0,1,0,0|2,0,0]=4 20728 B12R1.8 C=COCCOC1CCCCC1 7a_100000210231_100000039644 [0,1,0,1,0,0|2,0,0]=4 20729 B12R1.8 C=COCCSC1CCCCC1 62a_100000039644_100000210327 [0,1,0,1,0,0|2,0,0]=4 20730 B12R1.8 C=COCCSC1CCCCC1 62a_100000210327_100000039644 [0,1,0,1,0,0|2,0,0]=4 20731 B12R1.8 CC=CCNCC1CCCCC1 2230a_100000210473_100000070051 [0,1,0,1,0,0|1,0,1]=4 20732 B12R1.8 CC=CCNCC1CCCCC1 34a_100000210473_100000070051 [0,1,0,1,0,0|1,0,1]=4 20733 B12R1.8 CC=CCOCC1CCCCC1 34a_100000212181_100000070051 [0,1,0,1,0,0|1,0,1]=4 20734 B12R1.8 CC=CCOCC1CCCCC1 7a_100000212181_100000070051 [0,1,0,1,0,0|1,0,1]=4 20735 B12R1.8 CC=CCSCC1CCCCC1 62a_100000070051_100000211423 [0,1,0,1,0,0|1,0,1]=4 20736 B12R1.8 CC=CCSCC1CCCCC1 62a_100000211423_100000070051 [0,1,0,1,0,0|1,0,1]=4 20737 B12R1.8 CCCCCCN1CC=CCC1 2230a_100000698166_100000210314 [0,1,0,1,0,0|1,0,1]=4 20738 B12R1.8 CCCCCCN1CC=CCC1 269982a_100000698166_100000210757 [0,1,0,1,0,0|1,0,1]=4 20739 B12R1.8 CCCCCCN1CC=CCC1 34a_100000698166_100000210314 [0,1,0,1,0,0|1,0,1]=4 20740 B12R1.8 CCCCCCN1CCCOC1 2230a_100000131196_100000210314 [0,1,0,1,0,0|2,0,0]=4 20741 B12R1.8 CCCCCCN1CCCOC1 269982a_100000131196_100000210757 [0,1,0,1,0,0|2,0,0]=4 20742 B12R1.8 CCCCCCN1CCCOC1 34a_100000131196_100000210314 [0,1,0,1,0,0|2,0,0]=4 20743 B12R1.8 CCCCCNC1C=CCCC1 2230a_100000209983_100000751183 [0,1,0,1,0,0|1,0,0]=3 20744 B12R1.8 CCCCCNC1CCCCC1 2230a_100000182618_100000210326 [0,1,0,1,0,0|1,0,1]=4 20745 B12R1.8 CCCCCNC1CCCCC1 270004a_100000209983_100000210434 [0,1,0,1,0,0|1,0,1]=4 20746 B12R1.8 CCCCCNC1CCCCC1 34a_100000182618_100000718602 [0,1,0,1,0,0|1,0,1]=4 20747 B12R1.8 CCCCCNC1CCCOC1 2230a_100000719290_100000210326 [0,1,0,1,0,0|2,0,0]=4 20748 B12R1.8 CCCCCNC1CCCOC1 270004a_100000209983_100000753404 [0,1,0,1,0,0|2,0,0]=4 20749 B12R1.8 CCCCCNC1CCCOC1 34a_100000719290_100000718602 [0,1,0,1,0,0|2,0,0]=4 20750 B12R1.8 CCCCCNC1CCCSC1 270004a_100000209983_100000057913 [0,1,0,1,0,0|2,0,0]=4 20751 B12R1.8 CCCCCOC1C=CCCC1 34a_100011215024_100000718602 [0,1,0,1,0,0|1,0,0]=3 20752 B12R1.8 CCCCCOC1C=CCCC1 7a_100000210253_100000751183 [0,1,0,1,0,0|1,0,0]=3 20753 B12R1.8 CCCCCOC1CC=CCC1 34a_100000073881_100000718602 [0,1,0,1,0,0|1,0,1]=4 20754 B12R1.8 CCCCCOC1CCCCC1 34a_100000210231_100000718602 [0,1,0,1,0,0|1,0,1]=4 20755 B12R1.8 CCCCCOC1CCCCC1 34a_100000210253_100000210327 [0,1,0,1,0,0|1,0,1]=4 20756 B12R1.8 CCCCCOC1CCCCC1 7a_100000210231_100000210326 [0,1,0,1,0,0|1,0,1]=4 20757 B12R1.8 CCCCCOC1CCCCC1 7a_100000210253_100000210327 [0,1,0,1,0,0|1,0,1]=4 20758 B12R1.8 CCCCCOC1CCCCO1 34a_100000033831_100000718602 [0,1,0,1,0,0|0,0,2]=4 20759 B12R1.8 CCCCCOC1CCCOC1 34a_100000210253_100000693364 [0,1,0,1,0,0|2,0,0]=4 20760 B12R1.8 CCCCCOC1CCCOC1 34a_100000754041_100000718602 [0,1,0,1,0,0|2,0,0]=4 20761 B12R1.8 CCCCCOC1CCCOC1 7a_100000210253_100000693364 [0,1,0,1,0,0|2,0,0]=4 20762 B12R1.8 CCCCCOC1CCCSC1 7a_100015962668_100000210326 [0,1,0,1,0,0|2,0,0]=4 20763 B12R1.8 CCCCCSC1C=CCCC1 62a_100000210326_100000751183 [0,1,0,1,0,0|1,0,0]=3 20764 B12R1.8 CCCCCSC1C=CCCC1 62a_100000751183_100000210326 [0,1,0,1,0,0|1,0,0]=3 20765 B12R1.8 CCCCCSC1CCCCC1 62a_100000210326_100000210327 [0,1,0,1,0,0|1,0,1]=4 20766 B12R1.8 CCCCCSC1CCCCC1 62a_100000210327_100000210326 [0,1,0,1,0,0|1,0,1]=4 20767 B12R1.8 CCCCCSC1CCCOC1 62a_100000210326_100000693364 [0,1,0,1,0,0|2,0,0]=4 20768 B12R1.8 CCCCNCC1CC=CCC1 270004a_100000102301_100000189434 [0,1,0,1,0,0|1,0,1]=4 20769 B12R1.8 CCCCNCC1CCCCC1 2230a_100000102301_100000211423 [0,1,0,1,0,0|1,0,1]=4 20770 B12R1.8 CCCCNCC1CCCCC1 2230a_100000210473_100000210211 [0,1,0,1,0,0|1,0,1]=4 20771 B12R1.8 CCCCNCC1CCCCC1 269862a_100000102301_100000211278 [0,1,0,1,0,0|1,0,1]=4 20772 B12R1.8 CCCCNCC1CCCCC1 34a_100000210473_100000210210 [0,1,0,1,0,0|1,0,1]=4 20773 B12R1.8 CCCCNCC1CCCCC1 7a_106832991798_100000211423 [0,1,0,1,0,0|1,0,1]=4 20774 B12R1.8 CCCCNCC1CCCCO1 2230a_100000102301_100000211543 [0,1,0,1,0,0|0,0,2]=4 20775 B12R1.8 CCCCNCC1CCCCO1 2230a_100000174945_100000210211 [0,1,0,1,0,0|0,0,2]=4 20776 B12R1.8 CCCCNCC1CCCCO1 34a_100000174945_100000210210 [0,1,0,1,0,0|0,0,2]=4 20777 B12R1.8 CCCCNCC1CCCCO1 7a_106832991798_100000211543 [0,1,0,1,0,0|0,0,2]=4 20778 B12R1.8 CCCCNCC1CCCOC1 2230a_100000102301_100000741521 [0,1,0,1,0,0|2,0,0]=4 20779 B12R1.8 CCCCNCC1CCCOC1 2230a_100000720124_100000210211 [0,1,0,1,0,0|2,0,0]=4 20780 B12R1.8 CCCCNCC1CCCOC1 34a_100000720124_100000210210 [0,1,0,1,0,0|2,0,0]=4 20781 B12R1.8 CCCCNCC1CCCOC1 7a_106832991798_100000741521 [0,1,0,1,0,0|2,0,0]=4 20782 B12R1.8 CCCCOCC1CC=CCC1 34a_100000210713_100000210210 [0,1,0,1,0,0|1,0,1]=4 20783 B12R1.8 CCCCOCC1CCC=CO1 34a_100011217868_100000210210 [0,1,0,1,0,0|0,0,2]=4 20784 B12R1.8 CCCCOCC1CCCCC1 34a_100000210227_100000211423 [0,1,0,1,0,0|1,0,1]=4 20785 B12R1.8 CCCCOCC1CCCCC1 34a_100000212181_100000210210 [0,1,0,1,0,0|1,0,1]=4 20786 B12R1.8 CCCCOCC1CCCCC1 7a_100000210227_100000211423 [0,1,0,1,0,0|1,0,1]=4 20787 B12R1.8 CCCCOCC1CCCCC1 7a_100000212181_100000210211 [0,1,0,1,0,0|1,0,1]=4 20788 B12R1.8 CCCCOCC1CCCCN1 34a_100000210821_100000210210 [0,1,0,1,0,0|1,0,1]=4 20789 B12R1.8 CCCCOCC1CCCCO1 34a_100000210227_100000211543 [0,1,0,1,0,0|0,0,2]=4 20790 B12R1.8 CCCCOCC1CCCCO1 34a_100000211370_100000210210 [0,1,0,1,0,0|0,0,2]=4 20791 B12R1.8 CCCCOCC1CCCCO1 7a_100000210227_100000211543 [0,1,0,1,0,0|0,0,2]=4 20792 B12R1.8 CCCCOCC1CCCCO1 7a_100000211370_100000210211 [0,1,0,1,0,0|0,0,2]=4 20793 B12R1.8 CCCCOCC1CCCNC1 34a_100000211344_100000210210 [0,1,0,1,0,0|2,0,0]=4 20794 B12R1.8 CCCCOCC1CCCOC1 34a_100000210227_100000741521 [0,1,0,1,0,0|2,0,0]=4 20795 B12R1.8 CCCCOCC1CCCOC1 34a_100000741520_100000210210 [0,1,0,1,0,0|2,0,0]=4 20796 B12R1.8 CCCCOCC1CCCOC1 7a_100000210227_100000741521 [0,1,0,1,0,0|2,0,0]=4 20797 B12R1.8 CCCCSCC1CCCCC1 62a_100000210211_100000211423 [0,1,0,1,0,0|1,0,1]=4 20798 B12R1.8 CCCCSCC1CCCCC1 62a_100000211423_100000210210 [0,1,0,1,0,0|1,0,1]=4 20799 B12R1.8 CCCCSCC1CCCCO1 62a_100000210211_100000211543 [0,1,0,1,0,0|0,0,2]=4 20800 B12R1.8 CCCCSCC1CCCCO1 62a_100000211543_100000210210 [0,1,0,1,0,0|0,0,2]=4 20801 B12R1.8 CCCCSCC1CCCOC1 62a_100000210211_100000741521 [0,1,0,1,0,0|2,0,0]=4 20802 B12R1.8 CCCCSCC1CCCOC1 62a_100000741521_100000210210 [0,1,0,1,0,0|2,0,0]=4 20803 B12R1.8 CCCNCCC1CCCCC1 2230a_100000738074_100000210303 [0,1,0,1,0,0|1,0,1]=4 20804 B12R1.8 CCCNCCC1CCCCC1 270004a_100020643023_100011713444 [0,1,0,1,0,0|1,0,1]=4 20805 B12R1.8 CCCNCCC1CCCCC1 34a_100000738074_100000210303 [0,1,0,1,0,0|1,0,1]=4 20806 B12R1.8 CCCNCCC1CCCCO1 2230a_100015183643_100000210303 [0,1,0,1,0,0|0,0,2]=4 20807 B12R1.8 CCCNCCC1CCCCO1 34a_100015183643_100000210303 [0,1,0,1,0,0|0,0,2]=4 20808 B12R1.8 CCCOCCC1CCCCC1 34a_100000210258_100011209188 [0,1,0,1,0,0|1,0,1]=4 20809 B12R1.8 CCCOCCC1CCCCC1 34a_100011217863_100000210303 [0,1,0,1,0,0|1,0,1]=4 20810 B12R1.8 CCCOCCC1CCCCC1 7a_100011217863_100000210303 [0,1,0,1,0,0|1,0,1]=4 20811 B12R1.8 CCCOCCC1CCCCN1 34a_100000211664_100000210303 [0,1,0,1,0,0|1,0,1]=4 20812 B12R1.8 CCCOCCC1CCCNC1 34a_100000752241_100000210303 [0,1,0,1,0,0|2,0,0]=4 20813 B12R1.8 CCCSCCC1CCCCC1 62a_100000210303_100012355289 [0,1,0,1,0,0|1,0,1]=4 20814 B12R1.8 CCCSCCC1CCCCC1 62a_100012355289_100000210303 [0,1,0,1,0,0|1,0,1]=4 20815 B12R1.8 CCNCCCC1CCCCC1 2230a_100011211642_100000210202 [0,1,0,1,0,0|1,0,1]=4 20816 B12R1.8 CCNCCCC1CCCCC1 2230a_100015525214_100011713725 [0,1,0,1,0,0|1,0,1]=4 20817 B12R1.8 CCNCCCC1CCCCC1 34a_100011211642_100000210202 [0,1,0,1,0,0|1,0,1]=4 20818 B12R1.8 CCOCCCC1CCCCC1 34a_100000198086_100000210202 [0,1,0,1,0,0|1,0,1]=4 20819 B12R1.8 CCOCCCC1CCCCC1 34a_100121572206_100011713725 [0,1,0,1,0,0|1,0,1]=4 20820 B12R1.8 CCOCCCC1CCCCC1 7a_100000198086_100000210202 [0,1,0,1,0,0|1,0,1]=4 20821 B12R1.8 CCOCCCC1CCCCN1 34a_100011934581_100000210202 [0,1,0,1,0,0|1,0,1]=4 20822 B12R1.8 CCOCCCC1CCCNC1 34a_100150707839_100000210202 [0,1,0,1,0,0|2,0,0]=4 20823 B12R1.8 CCOCCNC1C=CCCC1 2230a_102516460346_100000751183 [0,1,0,1,0,0|2,0,0]=4 20824 B12R1.8 CCOCCOC1C=CCCC1 34a_100011215024_100000210147 [0,1,0,1,0,0|2,0,0]=4 20825 B12R1.8 CCOCCOC1C=CCCC1 7a_100000210136_100000751183 [0,1,0,1,0,0|2,0,0]=4 20826 B12R1.8 CCOCCSC1C=CCCC1 62a_100000210147_100000751183 [0,1,0,1,0,0|2,0,0]=4 20827 B12R1.8 CCOCCSC1C=CCCC1 62a_100000751183_100011215890 [0,1,0,1,0,0|2,0,0]=4 20828 B12R1.8 CCSCCCC1CCCCC1 62a_100000210202_100011713725 [0,1,0,1,0,0|1,0,1]=4 20829 B12R1.8 CCSCCCC1CCCCC1 62a_100011713725_100000210202 [0,1,0,1,0,0|1,0,1]=4 20830 B12R1.8 CCSCCNC1C=CCCC1 2230a_100000106463_100000751183 [0,1,0,1,0,0|2,0,0]=4 20831 B12R1.8 CCSCCOC1C=CCCC1 34a_100011215024_100000757381 [0,1,0,1,0,0|2,0,0]=4 20832 B12R1.8 CCSCCOC1C=CCCC1 7a_100000212035_100000751183 [0,1,0,1,0,0|2,0,0]=4 20833 B12R1.8 CCSCCSC1C=CCCC1 62a_100000751183_100000757381 [0,1,0,1,0,0|2,0,0]=4 20834 B12R1.8 CCSCCSC1C=CCCC1 62a_100000757381_100000751183 [0,1,0,1,0,0|2,0,0]=4 20835 B12R1.8 CNCCCOC1CCCCC1 34a_100000205933_200000210301 [0,1,0,1,0,0|2,0,0]=4 20836 B12R1.8 CNCCCOC1CCCCC1 34a_100000213112_100000210327 [0,1,0,1,0,0|2,0,0]=4 20837 B12R1.8 COCCCCC1CCCCC1 34a_100011215267_200000210301 [0,1,0,1,0,0|0,0,2]=4 20838 B12R1.8 COCCCCC1CCCCC1 7a_100011215267_200000210301 [0,1,0,1,0,0|0,0,2]=4 20839 B12R1.8 COCCCCC1CCNCC1 34a_100016989291_200000210301 [0,1,0,1,0,0|2,0,0]=4 20840 B12R1.8 COCCCNC1CCCCC1 2230a_100000182618_100000740836 [0,1,0,1,0,0|2,0,0]=4 20841 B12R1.8 COCCCNC1CCCCC1 270004a_100150723488_100000210434 [0,1,0,1,0,0|2,0,0]=4 20842 B12R1.8 COCCCNC1CCCCC1 34a_100000182618_100000740836 [0,1,0,1,0,0|2,0,0]=4 20843 B12R1.8 COCCCNC1CCCCC1 34a_100150723488_100000210327 [0,1,0,1,0,0|2,0,0]=4 20844 B12R1.8 COCCCOC1C=CCCC1 34a_100011215024_100000740836 [0,1,0,1,0,0|2,0,0]=4 20845 B12R1.8 COCCCOC1CCCCC1 34a_100000210231_100000740836 [0,1,0,1,0,0|2,0,0]=4 20846 B12R1.8 COCCCOC1CCCCC1 34a_100000740835_100000210327 [0,1,0,1,0,0|2,0,0]=4 20847 B12R1.8 COCCCOC1CCCCC1 7a_100000210231_100000740836 [0,1,0,1,0,0|2,0,0]=4 20848 B12R1.8 COCCCSC1C=CCCC1 62a_100000709357_100000751183 [0,1,0,1,0,0|2,0,0]=4 20849 B12R1.8 COCCCSC1C=CCCC1 62a_100000751183_100000709357 [0,1,0,1,0,0|2,0,0]=4 20850 B12R1.8 COCCCSC1CCCCC1 62a_100000210327_100000709357 [0,1,0,1,0,0|2,0,0]=4 20851 B12R1.8 COCCCSC1CCCCC1 62a_100000709357_100000210327 [0,1,0,1,0,0|2,0,0]=4 20852 B12R1.8 COCCNCC1CCCCC1 2230a_100000209980_100000211423 [0,1,0,1,0,0|2,0,0]=4 20853 B12R1.8 COCCNCC1CCCCC1 2230a_100000210473_100011201679 [0,1,0,1,0,0|2,0,0]=4 20854 B12R1.8 COCCNCC1CCCCC1 269862a_100000209980_100000211278 [0,1,0,1,0,0|2,0,0]=4 20855 B12R1.8 COCCNCC1CCCCC1 34a_100000210473_100011201679 [0,1,0,1,0,0|2,0,0]=4 20856 B12R1.8 COCCOCC1CCCCC1 34a_100000210237_100000211423 [0,1,0,1,0,0|2,0,0]=4 20857 B12R1.8 COCCOCC1CCCCC1 34a_100000212181_100011201679 [0,1,0,1,0,0|2,0,0]=4 20858 B12R1.8 COCCOCC1CCCCC1 7a_100000212181_100000233755 [0,1,0,1,0,0|2,0,0]=4 20859 B12R1.8 COCCSCC1CCCCC1 62a_100000211423_100000233755 [0,1,0,1,0,0|2,0,0]=4 20860 B12R1.8 COCCSCC1CCCCC1 62a_100000233755_100000211423 [0,1,0,1,0,0|2,0,0]=4 20861 B12R1.8 COCNCCC1CCCCC1 2230a_100000738074_100000766300 [0,1,0,1,0,0|2,0,0]=4 20862 B12R1.8 COCSCCC1CCCCC1 62a_100000766300_100012355289 [0,1,0,1,0,0|2,0,0]=4 20863 B12R1.8 COCSCCC1CCCCC1 62a_100012355289_100000766300 [0,1,0,1,0,0|2,0,0]=4 20864 B12R1.8 CSCCCNC1C=CCCC1 2230a_100000749238_100000751183 [0,1,0,1,0,0|2,0,0]=4 20865 B12R1.8 CSCCCNC1CCCCC1 270004a_100000749238_100000210434 [0,1,0,1,0,0|2,0,0]=4 20866 B12R1.8 CSCCCOC1C=CCCC1 7a_100000690336_100000751183 [0,1,0,1,0,0|2,0,0]=4 20867 B12R1.8 CSCCCOC1CCCCC1 34a_100000690336_100000210327 [0,1,0,1,0,0|2,0,0]=4 20868 B12R1.8 CSCCCOC1CCCCC1 7a_100000690336_100000210327 [0,1,0,1,0,0|2,0,0]=4 20869 B12R1.8 CSCCNCC1CCCCC1 2230a_100000210473_100000751147 [0,1,0,1,0,0|2,0,0]=4 20870 B12R1.8 CSCCNCC1CCCCC1 2230a_100020590264_100000211423 [0,1,0,1,0,0|2,0,0]=4 20871 B12R1.8 CSCCNCC1CCCCC1 269862a_100020590264_100000211278 [0,1,0,1,0,0|2,0,0]=4 20872 B12R1.8 CSCCNCC1CCCCC1 34a_100000210473_100000212216 [0,1,0,1,0,0|2,0,0]=4 20873 B12R1.8 CSCCOCC1CCCCC1 34a_100000212181_100000212216 [0,1,0,1,0,0|2,0,0]=4 20874 B12R1.8 CSCCOCC1CCCCC1 34a_100000230434_100000211423 [0,1,0,1,0,0|2,0,0]=4 20875 B12R1.8 CSCCOCC1CCCCC1 7a_100000212181_100000212216 [0,1,0,1,0,0|2,0,0]=4 20876 B12R1.8 CSCCOCC1CCCCC1 7a_100000230434_100000211423 [0,1,0,1,0,0|2,0,0]=4 20877 B12R1.8 CSCCSCC1CCCCC1 62a_100000211423_100000751147 [0,1,0,1,0,0|2,0,0]=4 20878 B12R1.8 CSCCSCC1CCCCC1 62a_100000212216_100000211423 [0,1,0,1,0,0|2,0,0]=4 20879 B12R1.8 CSCNCCC1CCCCC1 2230a_100000738074_100011218213 [0,1,0,1,0,0|2,0,0]=4 20880 B12R1.8 CSCNCCC1CCCCC1 34a_100000738074_100011218213 [0,1,0,1,0,0|2,0,0]=4 20881 B12R1.8 CSCOCCC1CCCCC1 34a_100011217863_100011218213 [0,1,0,1,0,0|2,0,0]=4 20882 B12R1.8 CSCSCCC1CCCCC1 62a_100011218213_100012355289 [0,1,0,1,0,0|2,0,0]=4 20883 B12R1.8 CSCSCCC1CCCCC1 62a_100012355289_100011218213 [0,1,0,1,0,0|2,0,0]=4 20884 B12R1.8 ClCCCCOC1C=CCCC1 7a_100000210776_100000751183 [0,1,0,1,0,0|2,0,0]=4 20885 B12R1.8 ClCCCCOC1CCCCC1 34a_100000210776_100000210327 [0,1,0,1,0,0|1,0,1]=4 20886 B12R1.8 ClCCCCOC1CCCCC1 7a_100000210776_100000210327 [0,1,0,1,0,0|1,0,1]=4 20887 B12R1.8 ClCCCOCC1CCCCC1 34a_100000230001_100000211423 [0,1,0,1,0,0|1,0,1]=4 20888 B12R1.8 FCCCCNC1CCCCC1 2230a_100000182618_100000729493 [0,1,0,1,0,0|1,0,1]=4 20889 B12R1.8 FCCCCNC1CCCCC1 34a_100000182618_100000729493 [0,1,0,1,0,0|1,0,1]=4 20890 B12R1.8 FCCCCOC1C=CCCC1 34a_100011215024_100000729493 [0,1,0,1,0,0|2,0,0]=4 20891 B12R1.8 FCCCCOC1C=CCCC1 7a_100011995726_100000751183 [0,1,0,1,0,0|2,0,0]=4 20892 B12R1.8 FCCCCOC1CCCCC1 34a_100000210231_100000729493 [0,1,0,1,0,0|1,0,1]=4 20893 B12R1.8 FCCCCOC1CCCCC1 34a_100011995726_100000210327 [0,1,0,1,0,0|1,0,1]=4 20894 B12R1.8 FCCCCOC1CCCCC1 7a_100000210231_100000729493 [0,1,0,1,0,0|1,0,1]=4 20895 B12R1.8 FCCCCOC1CCCCC1 7a_100011995726_100000210327 [0,1,0,1,0,0|1,0,1]=4 20896 B12R1.8 FCCCCSC1C=CCCC1 62a_100000729493_100000751183 [0,1,0,1,0,0|2,0,0]=4 20897 B12R1.8 FCCCCSC1C=CCCC1 62a_100000751183_100000729493 [0,1,0,1,0,0|2,0,0]=4 20898 B12R1.8 FCCCCSC1CCCCC1 62a_100000210327_100000729493 [0,1,0,1,0,0|1,0,1]=4 20899 B12R1.8 FCCCCSC1CCCCC1 62a_100000729493_100000210327 [0,1,0,1,0,0|1,0,1]=4 20900 B12R1.8 FCCCNCC1CCCCC1 2230a_100000210473_100011934791 [0,1,0,1,0,0|1,0,1]=4 20901 B12R1.8 FCCCNCC1CCCCC1 2230a_100015189416_100000211423 [0,1,0,1,0,0|1,0,1]=4 20902 B12R1.8 FCCCNCC1CCCCC1 269862a_100015189416_100000211278 [0,1,0,1,0,0|1,0,1]=4 20903 B12R1.8 FCCCNCC1CCCCC1 34a_100000210473_100011934791 [0,1,0,1,0,0|1,0,1]=4 20904 B12R1.8 FCCCNCC1CCCCC1 34a_100015189416_100000211423 [0,1,0,1,0,0|1,0,1]=4 20905 B12R1.8 FCCCOCC1CCCCC1 34a_100000212181_100011934791 [0,1,0,1,0,0|1,0,1]=4 20906 B12R1.8 FCCCOCC1CCCCC1 34a_100000759539_100000211423 [0,1,0,1,0,0|1,0,1]=4 20907 B12R1.8 FCCCOCC1CCCCC1 7a_100000212181_100011934791 [0,1,0,1,0,0|1,0,1]=4 20908 B12R1.8 FCCCSCC1CCCCC1 62a_100000211423_100011934791 [0,1,0,1,0,0|1,0,1]=4 20909 B12R1.8 FCCCSCC1CCCCC1 62a_100011934791_100000211423 [0,1,0,1,0,0|1,0,1]=4 20910 B12R1.8 FCCNCCC1CCCCC1 2230a_100000738074_100011217306 [0,1,0,1,0,0|1,0,1]=4 20911 B12R1.8 FCCNCCC1CCCCC1 34a_100000724931_100011209188 [0,1,0,1,0,0|1,0,1]=4 20912 B12R1.8 FCCNCCC1CCCCC1 34a_100000738074_100011217306 [0,1,0,1,0,0|1,0,1]=4 20913 B12R1.8 FCCOCCC1CCCCC1 34a_100011217863_100011217306 [0,1,0,1,0,0|1,0,1]=4 20914 B12R1.8 FCCOCCC1CCCCC1 7a_100011217863_100011217306 [0,1,0,1,0,0|1,0,1]=4 20915 B12R1.8 FCCSCCC1CCCCC1 62a_100011217306_100012355289 [0,1,0,1,0,0|1,0,1]=4 20916 B12R1.8 FCCSCCC1CCCCC1 62a_100012355289_100011217306 [0,1,0,1,0,0|1,0,1]=4 20917 B12R1.8 FCNCCCC1CCCCC1 34a_100011211642_100015361967 [0,1,0,1,0,0|1,0,1]=4 20918 B12R1.8 FCOCCCC1CCCCC1 34a_100000198086_100015361967 [0,1,0,1,0,0|1,0,1]=4 20919 B12R1.8 FCOCCCC1CCCCC1 7a_100000198086_100015361967 [0,1,0,1,0,0|1,0,1]=4 20920 B12R1.8 FCSCCCC1CCCCC1 62a_100011713725_100015361967 [0,1,0,1,0,0|1,0,1]=4 20921 B12R1.8 FCSCCCC1CCCCC1 62a_100015361967_100011713725 [0,1,0,1,0,0|1,0,1]=4 20922 B12R1.8 ICCCCOC1CCCCC1 34a_200012148704_100000210327 [0,1,0,1,0,0|1,0,1]=4 20923 B12R1.8 N#CCCCNC1CCCCC1 2230a_100000182618_100000687738 [0,1,0,1,0,0|1,0,1]=4 20924 B12R1.8 N#CCCCOC1CCCCC1 7a_100000210231_100000687738 [0,1,0,1,0,0|1,0,1]=4 20925 B12R1.8 N#CCCCSC1CCCCC1 62a_100000210327_100000687738 [0,1,0,1,0,0|1,0,1]=4 20926 B12R1.8 N#CCCCSC1CCCCC1 62a_100000687738_100000210327 [0,1,0,1,0,0|1,0,1]=4 20927 B12R1.8 N#CCCNCC1CCCCC1 2230a_100000210473_100011215226 [0,1,0,1,0,0|1,0,1]=4 20928 B12R1.8 N#CCCOCC1CCCCC1 7a_100000212181_100000184422 [0,1,0,1,0,0|1,0,1]=4 20929 B12R1.8 N#CCCSCC1CCCCC1 62a_100000211423_100011215226 [0,1,0,1,0,0|1,0,1]=4 20930 B12R1.8 N#CCCSCC1CCCCC1 62a_100011215226_100000211423 [0,1,0,1,0,0|1,0,1]=4 20931 B12R1.8 N#CCNCCC1CCCCC1 2230a_100000738074_100011215382 [0,1,0,1,0,0|1,0,1]=4 20932 B12R1.8 N#CCOCCC1CCCCC1 7a_100011217863_100011215382 [0,1,0,1,0,0|1,0,1]=4 20933 B12R1.8 N#CCSCCC1CCCCC1 62a_100011215382_100012355289 [0,1,0,1,0,0|1,0,1]=4 20934 B12R1.8 N#CCSCCC1CCCCC1 62a_100012355289_100011215382 [0,1,0,1,0,0|1,0,1]=4 20935 B12R1.8 NCCCCOC1CCCCC1 34a_100000750430_100000210327 [0,1,0,1,0,0|1,0,1]=4 20936 B12R1.8 NCCCOCC1CCCCC1 34a_100000182051_100000211423 [0,1,0,1,0,0|1,0,1]=4 20937 B12R1.8 NCCOCCC1CCCCC1 34a_100000210304_100011209188 [0,1,0,1,0,0|1,0,1]=4 20938 B12R1.8 NOCCOCC1CCCCC1 34a_100000700252_100000211423 [0,1,0,1,0,0|2,0,0]=4 20939 B12R1.8 O=CCCCCN1CC=CCC1 2230a_100000698166_100000139335 [0,1,0,1,0,0|0,0,2]=4 20940 B12R1.8 O=CCCCCN1CC=CCC1 269982a_100000698166_100000139335 [0,1,0,1,0,0|0,0,2]=4 20941 B12R1.8 O=CCCCCN1CCCOC1 2230a_100000131196_100000139335 [0,1,0,1,0,0|1,0,0]=3 20942 B12R1.8 O=CCCCCN1CCCOC1 269982a_100000131196_100000139335 [0,1,0,1,0,0|1,0,0]=3 20943 B12R1.8 O=CCCCCN1CCOCC1 2230a_100015191051_100000139335 [0,1,0,1,0,0|1,0,0]=3 20944 B12R1.8 O=CCCCCN1CCOCC1 269982a_100015191051_100000139335 [0,1,0,1,0,0|1,0,0]=3 20945 B12R1.8 O=CCCCCN1CCSCC1 2230a_100000737611_100000139335 [0,1,0,1,0,0|1,0,0]=3 20946 B12R1.8 O=CCCCCN1CCSCC1 269982a_100000737611_100000139335 [0,1,0,1,0,0|1,0,0]=3 20947 B12R1.8 O=CCCCNC1CCCCC1 2230a_100000182618_200011292268 [0,1,0,1,0,0|0,0,0]=2 20948 B12R1.8 O=CCCCNC1CCCOC1 2230a_100000719290_200011292268 [0,1,0,1,0,0|1,0,0]=3 20949 B12R1.8 O=CCCCNC1CCOCC1 2230a_100000741149_200011292268 [0,1,0,1,0,0|1,0,0]=3 20950 B12R1.8 O=CCCCNC1CCSCC1 2230a_100000748639_200011292268 [0,1,0,1,0,0|1,0,0]=3 20951 B12R1.8 O=CCCCOC1CCCCC1 7a_100000210231_200011292268 [0,1,0,1,0,0|0,0,0]=2 20952 B12R1.8 O=CCCCOC1CCCSC1 7a_100015962668_200011292268 [0,1,0,1,0,0|1,0,0]=3 20953 B12R1.8 O=CCCCOC1CCSCC1 7a_100000731022_200011292268 [0,1,0,1,0,0|1,0,0]=3 20954 B12R1.8 O=CCCCSC1C=CCCC1 62a_100000751183_200011292268 [0,1,0,1,0,0|0,0,2]=4 20955 B12R1.8 O=CCCCSC1C=CCCC1 62a_200011292268_100000751183 [0,1,0,1,0,0|0,0,2]=4 20956 B12R1.8 O=CCCCSC1CCCCC1 62a_100000210327_200011292268 [0,1,0,1,0,0|0,0,0]=2 20957 B12R1.8 O=CCCCSC1CCCCC1 62a_200011292268_100000210327 [0,1,0,1,0,0|0,0,0]=2 20958 B12R1.8 O=CCCCSC1CCCOC1 62a_200011292268_100000693364 [0,1,0,1,0,0|1,0,0]=3 20959 B12R1.8 O=CCCCSC1CCOCC1 62a_200011292268_100011324220 [0,1,0,1,0,0|1,0,0]=3 20960 B12R1.8 O=CCCCSC1CCSCC1 62a_200011292268_100000069128 [0,1,0,1,0,0|1,0,0]=3 20961 B12R1.8 O=CCNCCC1=CCCCC1 2230a_100000212019_200015260668 [0,1,0,1,0,0|0,0,2]=4 20962 B12R1.8 O=CCNCCC1=CCCCC1 34a_100000212019_200009817547 [0,1,0,1,0,0|0,0,2]=4 20963 B12R1.8 O=CCNCCC1CCCCC1 2230a_100000738074_200015260668 [0,1,0,1,0,0|0,0,0]=2 20964 B12R1.8 O=CCNCCC1CCCCC1 34a_100000738074_200009817547 [0,1,0,1,0,0|0,0,0]=2 20965 B12R1.8 O=CCNCCC1CCCCO1 2230a_100015183643_200015260668 [0,1,0,1,0,0|1,0,0]=3 20966 B12R1.8 O=CCNCCC1CCCCO1 34a_100015183643_200009817547 [0,1,0,1,0,0|1,0,0]=3 20967 B12R1.8 O=CCNCCC1CCOCC1 2230a_100000755988_200015260668 [0,1,0,1,0,0|1,0,0]=3 20968 B12R1.8 O=CCNCCC1CCOCC1 34a_100000755988_200009817547 [0,1,0,1,0,0|1,0,0]=3 20969 B12R1.8 O=CCNCCN1CCSCC1 2230a_100000755026_200015260668 [0,1,0,1,0,0|2,0,0]=4 20970 B12R1.8 O=CCOCCC1CCCCC1 34a_100011217863_200009817547 [0,1,0,1,0,0|0,0,0]=2 20971 B12R1.8 O=CCOCCC1CCCCC1 7a_100011217863_200015260668 [0,1,0,1,0,0|0,0,0]=2 20972 B12R1.8 O=CCOCCC1CCCCN1 34a_100000211664_200009817547 [0,1,0,1,0,0|1,0,0]=3 20973 B12R1.8 O=CCOCCC1CCCNC1 34a_100000752241_200009817547 [0,1,0,1,0,0|1,0,0]=3 20974 B12R1.8 O=CCOCCC1CCNCC1 34a_100015190746_200009817547 [0,1,0,1,0,0|1,0,0]=3 20975 B12R1.8 O=CCOCCC1CCOCC1 34a_100011933979_200009817547 [0,1,0,1,0,0|1,0,0]=3 20976 B12R1.8 O=CCOCCC1CCOCC1 7a_100011933979_200015260668 [0,1,0,1,0,0|1,0,0]=3 20977 B12R1.8 O=CCOCCC1SCCCS1 34a_200011025297_200009817547 [0,1,0,1,0,0|2,0,0]=4 20978 B12R1.8 O=CCOCCC1SCCCS1 7a_200011025297_200015260668 [0,1,0,1,0,0|2,0,0]=4 20979 B12R1.8 O=CCOCCN1CCSCC1 7a_100000686052_200015260668 [0,1,0,1,0,0|2,0,0]=4 20980 B12R1.8 O=CCOCC[C@@H]1CNCCN1 34a_100016989929_200009817547 [0,1,0,1,0,0|2,0,0]=4 20981 B12R1.8 O=CCSCCC1CCCCC1 62a_100012355289_200015260668 [0,1,0,1,0,0|0,0,0]=2 20982 B12R1.8 O=CCSCCC1CCCCC1 62a_200015260668_100012355289 [0,1,0,1,0,0|0,0,0]=2 20983 B12R1.8 O=CCSCCC1CCOCC1 62a_100011934994_200015260668 [0,1,0,1,0,0|1,0,0]=3 20984 B12R1.8 O=CCSCCC1CCOCC1 62a_200015260668_100011934994 [0,1,0,1,0,0|1,0,0]=3 20985 B12R1.8 O=CCSCCC1OCCCO1 62a_100000764188_200015260668 [0,1,0,1,0,0|2,0,0]=4 20986 B12R1.8 O=CCSCCC1OCCCO1 62a_200015260668_100000764188 [0,1,0,1,0,0|2,0,0]=4 20987 B12R1.8 O=CCSCCN1CCCCC1 62a_100000739454_200015260668 [0,1,0,1,0,0|1,0,0]=3 20988 B12R1.8 O=CCSCCN1CCCCC1 62a_200015260668_100000739454 [0,1,0,1,0,0|1,0,0]=3 20989 B12R1.8 O=CCSCCN1CCOCC1 62a_200015260668_100000211760 [0,1,0,1,0,0|2,0,0]=4 20990 B12R1.8 O=CCSCOC1CCCCC1 62a_100011935260_200015260668 [0,1,0,1,0,0|1,0,0]=3 20991 B12R1.8 O=CCSCOC1CCCCC1 62a_200015260668_100011935260 [0,1,0,1,0,0|1,0,0]=3 20992 B12R1.8 OCCCCNC1C=CCCC1 2230a_100000750430_100000751183 [0,1,0,1,0,0|2,0,0]=4 20993 B12R1.8 OCCCCNC1CCCCC1 2230a_100000182618_100000210776 [0,1,0,1,0,0|0,0,2]=4 20994 B12R1.8 OCCCCNC1CCCCC1 270004a_100000750430_100000210434 [0,1,0,1,0,0|0,0,2]=4 20995 B12R1.8 OCCCCNC1CCCCC1 34a_100000182618_100011216708 [0,1,0,1,0,0|0,0,2]=4 20996 B12R1.8 OCCCCNC1CCCCC1 34a_100000750430_100000210327 [0,1,0,1,0,0|0,0,2]=4 20997 B12R1.8 OCCCCOC1C=CCCC1 34a_100011215024_100011216708 [0,1,0,1,0,0|2,0,0]=4 20998 B12R1.8 OCCCCOC1CCCCC1 34a_100000210231_100011216708 [0,1,0,1,0,0|0,0,2]=4 20999 B12R1.8 OCCCCOC1CCCCC1 7a_100000210231_100000210776 [0,1,0,1,0,0|0,0,2]=4 21000 B12R1.8 OCCCCSC1C=CCCC1 62a_100000210776_100000751183 [0,1,0,1,0,0|2,0,0]=4 21001 B12R1.8 OCCCCSC1C=CCCC1 62a_100000751183_100000210776 [0,1,0,1,0,0|2,0,0]=4 21002 B12R1.8 OCCCCSC1CCCCC1 62a_100000210327_100000210776 [0,1,0,1,0,0|0,0,2]=4 21003 B12R1.8 OCCCCSC1CCCCC1 62a_100000210776_100000210327 [0,1,0,1,0,0|0,0,2]=4 21004 B12R1.8 OCCCNCC1CCCCC1 2230a_100000210473_100000230001 [0,1,0,1,0,0|0,0,2]=4 21005 B12R1.8 OCCCNCC1CCCCC1 269862a_100000182051_100000211278 [0,1,0,1,0,0|0,0,2]=4 21006 B12R1.8 OCCCNCC1CCCCC1 34a_100000210473_100000230001 [0,1,0,1,0,0|0,0,2]=4 21007 B12R1.8 OCCCOCC1CCCCC1 34a_100000212181_100000230001 [0,1,0,1,0,0|0,0,2]=4 21008 B12R1.8 OCCCOCC1CCCCC1 7a_100000212181_100011215043 [0,1,0,1,0,0|0,0,2]=4 21009 B12R1.8 OCCCSCC1CCCCC1 62a_100000211423_100011215043 [0,1,0,1,0,0|0,0,2]=4 21010 B12R1.8 OCCCSCC1CCCCC1 62a_100011215043_100000211423 [0,1,0,1,0,0|0,0,2]=4 21011 B12R1.8 OCCNCCC1CCCCC1 2230a_100000738074_100000211926 [0,1,0,1,0,0|0,0,2]=4 21012 B12R1.8 OCCNCCC1CCCCC1 2230a_100016997473_100012355289 [0,1,0,1,0,0|0,0,2]=4 21013 B12R1.8 OCCNCCC1CCCCC1 270004a_100000210304_100011713444 [0,1,0,1,0,0|0,0,2]=4 21014 B12R1.8 OCCNCCC1CCCCC1 34a_100000738074_100000211926 [0,1,0,1,0,0|0,0,2]=4 21015 B12R1.8 OCCNCCC1CCCCC1 34a_100016990907_100011209188 [0,1,0,1,0,0|0,0,2]=4 21016 B12R1.8 OCCOCCC1CCCCC1 34a_100011217863_100000211926 [0,1,0,1,0,0|0,0,2]=4 21017 B12R1.8 OCCOCCC1CCCCC1 7a_100011217863_100000211926 [0,1,0,1,0,0|0,0,2]=4 21018 B12R1.8 OCCSCCC1CCCCC1 62a_100000211926_100012355289 [0,1,0,1,0,0|0,0,2]=4 21019 B12R1.8 OCCSCCC1CCCCC1 62a_100012355289_100000211926 [0,1,0,1,0,0|0,0,2]=4 21020 B12R1.8 [13CH3]NCCCOC1CCCCC1 34a_100000205933_200025704644 [0,1,0,1,0,0|2,0,0]=4 21021 B12R1.8 [13CH3]OCCCCC1CCCCC1 34a_100011215267_200025704644 [0,1,0,1,0,0|0,0,2]=4 21022 B12R1.8 [13CH3]OCCCCC1CCCCC1 7a_100011215267_200025704644 [0,1,0,1,0,0|0,0,2]=4 21023 B12R1.8 [13CH3]OCCCCC1CCNCC1 34a_100016989291_200025704644 [0,1,0,1,0,0|2,0,0]=4 21024 B12R1.18 C#CCSC1CCCCCC1=O 62a_100000038162_100000243696 [0,1,0,1,0,0|0,0,2]=4 21025 B12R1.18 C=CCSC1CCCCCC1=O 62a_100000210623_100000243696 [0,1,0,1,0,0|0,0,2]=4 21026 B12R1.18 C=CCSC1CCCCCC1=O 62a_100000243696_100000210623 [0,1,0,1,0,0|0,0,2]=4 21027 B12R1.18 CCCNC1CCCCNC1=O 2230a_100000698827_100000210303 [0,1,0,1,0,0|1,0,0]=3 21028 B12R1.18 CCCNC1CCCCNC1=O 34a_100000698827_100000210303 [0,1,0,1,0,0|1,0,0]=3 21029 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [0,1,0,1,0,0|0,0,0]=2 21030 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [0,1,0,1,0,0|0,0,0]=2 21031 B12R1.18 CCCSC1CCCCNC1=O 62a_100000210303_100000735217 [0,1,0,1,0,0|1,0,0]=3 21032 B12R1.18 CCCSC1CCCCNC1=O 62a_100000735217_100000210303 [0,1,0,1,0,0|1,0,0]=3 21033 B12R1.18 COCNC1CCCCNC1=O 2230a_100000698827_100000766300 [0,1,0,1,0,0|2,0,0]=4 21034 B12R1.18 COCSC1CCCCCC1=O 62a_100000243696_100000766300 [0,1,0,1,0,0|1,0,0]=3 21035 B12R1.18 COCSC1CCCCCC1=O 62a_100000766300_100000243696 [0,1,0,1,0,0|1,0,0]=3 21036 B12R1.18 COCSC1CCCCNC1=O 62a_100000735217_100000766300 [0,1,0,1,0,0|2,0,0]=4 21037 B12R1.18 COCSC1CCCCNC1=O 62a_100000766300_100000735217 [0,1,0,1,0,0|2,0,0]=4 21038 B12R1.18 CSCNC1CCCCNC1=O 2230a_100000698827_100011218213 [0,1,0,1,0,0|2,0,0]=4 21039 B12R1.18 CSCNC1CCCCNC1=O 34a_100000698827_100011218213 [0,1,0,1,0,0|2,0,0]=4 21040 B12R1.18 CSCSC1CCCCCC1=O 62a_100000243696_100011218213 [0,1,0,1,0,0|1,0,0]=3 21041 B12R1.18 CSCSC1CCCCCC1=O 62a_100011218213_100000243696 [0,1,0,1,0,0|1,0,0]=3 21042 B12R1.18 CSCSC1CCCCNC1=O 62a_100000735217_100011218213 [0,1,0,1,0,0|2,0,0]=4 21043 B12R1.18 CSCSC1CCCCNC1=O 62a_100011218213_100000735217 [0,1,0,1,0,0|2,0,0]=4 21044 B12R1.18 N#CCSC1CCCCCC1=O 62a_100000243696_100011215382 [0,1,0,1,0,0|1,0,1]=4 21045 B12R1.18 N#CCSC1CCCCCC1=O 62a_100011215382_100000243696 [0,1,0,1,0,0|1,0,1]=4 21046 B12R1.18 O=C1CCCCCC1SCCF 62a_100000243696_100011217306 [0,1,0,1,0,0|1,0,0]=3 21047 B12R1.18 O=C1CCCCCC1SCCF 62a_100011217306_100000243696 [0,1,0,1,0,0|1,0,0]=3 21048 B12R1.18 O=C1CCCCCC1SCCO 62a_100000211926_100000243696 [0,1,0,1,0,0|1,0,0]=3 21049 B12R1.18 O=C1CCCCCC1SCCO 62a_100000243696_100000211926 [0,1,0,1,0,0|1,0,0]=3 21050 B12R1.18 O=C1NCCCCC1NCCF 2230a_100000698827_100011217306 [0,1,0,1,0,0|2,0,0]=4 21051 B12R1.18 O=C1NCCCCC1NCCF 34a_100000698827_100011217306 [0,1,0,1,0,0|2,0,0]=4 21052 B12R1.18 O=C1NCCCCC1NCCO 2230a_100000698827_100000211926 [0,1,0,1,0,0|2,0,0]=4 21053 B12R1.18 O=C1NCCCCC1NCCO 2230a_100016997473_100000735217 [0,1,0,1,0,0|2,0,0]=4 21054 B12R1.18 O=C1NCCCCC1NCCO 34a_100000698827_100000211926 [0,1,0,1,0,0|2,0,0]=4 21055 B12R1.18 O=C1NCCCCC1SCCF 62a_100000735217_100011217306 [0,1,0,1,0,0|2,0,0]=4 21056 B12R1.18 O=C1NCCCCC1SCCF 62a_100011217306_100000735217 [0,1,0,1,0,0|2,0,0]=4 21057 B12R1.18 O=C1NCCCCC1SCCO 62a_100000211926_100000735217 [0,1,0,1,0,0|2,0,0]=4 21058 B12R1.18 O=C1NCCCCC1SCCO 62a_100000735217_100000211926 [0,1,0,1,0,0|2,0,0]=4 21059 B12R1.18 O=CCSC1CCCCCC1=O 62a_100000243696_200015260668 [0,1,0,1,0,0|1,0,1]=4 21060 B12R1.18 O=CCSC1CCCCCC1=O 62a_200015260668_100000243696 [0,1,0,1,0,0|1,0,1]=4 21061 B12R1.37 BrCCCCCOC1CCCC1 34a_100000746331_100000179811 [0,1,0,1,0,0|1,0,1]=4 21062 B12R1.37 BrCCCCCOC1CCCC1 7a_100000746331_100000179811 [0,1,0,1,0,0|1,0,1]=4 21063 B12R1.37 BrCCCCOCC1CCCC1 34a_100011216708_100000740388 [0,1,0,1,0,0|1,0,1]=4 21064 B12R1.37 BrCCCOCCC1CCCC1 34a_100011217188_100000760354 [0,1,0,1,0,0|1,0,1]=4 21065 B12R1.37 BrCCOCCCC1CCCC1 34a_100000211926_100011713738 [0,1,0,1,0,0|1,0,1]=4 21066 B12R1.37 C#CCCCCCN1CCCC1 2230a_100000188435_100012094781 [0,1,0,1,0,0|1,0,1]=4 21067 B12R1.37 C#CCCCCCN1CCCC1 269982a_100000188435_100012094781 [0,1,0,1,0,0|1,0,1]=4 21068 B12R1.37 C#CCCCCNC1CCCC1 2230a_100000211070_100010269958 [0,1,0,1,0,0|1,0,1]=4 21069 B12R1.37 C#CCCCCNC1CCCC1 2230a_100000706060_100000179811 [0,1,0,1,0,0|1,0,1]=4 21070 B12R1.37 C#CCCCCNC1CCCC1 34a_100000211070_100010269958 [0,1,0,1,0,0|1,0,1]=4 21071 B12R1.37 C#CCCCCNC1CCCC1 34a_100000706060_100000179811 [0,1,0,1,0,0|1,0,1]=4 21072 B12R1.37 C#CCCCCOC1CCCC1 34a_100000210269_100010269958 [0,1,0,1,0,0|1,0,1]=4 21073 B12R1.37 C#CCCCCOC1CCCC1 34a_100000766709_100000179811 [0,1,0,1,0,0|1,0,1]=4 21074 B12R1.37 C#CCCCCOC1CCCC1 7a_100000210269_100010269958 [0,1,0,1,0,0|1,0,1]=4 21075 B12R1.37 C#CCCCCOC1CCCC1 7a_100000766709_100000179811 [0,1,0,1,0,0|1,0,1]=4 21076 B12R1.37 C#CCCCCSC1CCCC1 62a_100010269958_100000179811 [0,1,0,1,0,0|1,0,1]=4 21077 B12R1.37 C#CCCCCSC1CCCC1 62a_100011217020_100010269958 [0,1,0,1,0,0|1,0,1]=4 21078 B12R1.37 C#CCCCNCC1CCCC1 2230a_100000737975_100000731252 [0,1,0,1,0,0|1,0,1]=4 21079 B12R1.37 C#CCCCNCC1CCCC1 34a_100000718082_100000740388 [0,1,0,1,0,0|1,0,1]=4 21080 B12R1.37 C#CCCCNCC1CCCC1 34a_100000737975_100000695029 [0,1,0,1,0,0|1,0,1]=4 21081 B12R1.37 C#CCCCOCC1CCCC1 34a_100000215630_100000740388 [0,1,0,1,0,0|1,0,1]=4 21082 B12R1.37 C#CCCCOCC1CCCC1 34a_100000742336_100000695029 [0,1,0,1,0,0|1,0,1]=4 21083 B12R1.37 C#CCCCOCC1CCCC1 7a_100000215630_100000740388 [0,1,0,1,0,0|1,0,1]=4 21084 B12R1.37 C#CCCCOCC1CCCC1 7a_100000742336_100011215417 [0,1,0,1,0,0|1,0,1]=4 21085 B12R1.37 C#CCCCSCC1CCCC1 62a_100000740388_100011215417 [0,1,0,1,0,0|1,0,1]=4 21086 B12R1.37 C#CCCCSCC1CCCC1 62a_100011215417_100000740388 [0,1,0,1,0,0|1,0,1]=4 21087 B12R1.37 C#CCCNCCC1CCCC1 2230a_100000739158_100000688953 [0,1,0,1,0,0|1,0,1]=4 21088 B12R1.37 C#CCCNCCC1CCCC1 34a_100000739158_100000688953 [0,1,0,1,0,0|1,0,1]=4 21089 B12R1.37 C#CCCNCCC1CCCC1 34a_100000755551_100000760354 [0,1,0,1,0,0|1,0,1]=4 21090 B12R1.37 C#CCCOCCC1CCCC1 34a_100000749090_100000688953 [0,1,0,1,0,0|1,0,1]=4 21091 B12R1.37 C#CCCOCCC1CCCC1 34a_100011215631_100000760354 [0,1,0,1,0,0|1,0,1]=4 21092 B12R1.37 C#CCCOCCC1CCCC1 7a_100000749090_100000688953 [0,1,0,1,0,0|1,0,1]=4 21093 B12R1.37 C#CCCSCCC1CCCC1 62a_100000688953_100000760354 [0,1,0,1,0,0|1,0,1]=4 21094 B12R1.37 C#CCCSCCC1CCCC1 62a_100000760354_100000688953 [0,1,0,1,0,0|1,0,1]=4 21095 B12R1.37 C#CCNCCCC1CCCC1 2230a_100000736752_100000038162 [0,1,0,1,0,0|1,0,1]=4 21096 B12R1.37 C#CCNCCCC1CCCC1 34a_100000212058_100011713738 [0,1,0,1,0,0|1,0,1]=4 21097 B12R1.37 C#CCNCCCC1CCCC1 34a_100000736752_100000184674 [0,1,0,1,0,0|1,0,1]=4 21098 B12R1.37 C#CCOCCCC1CCCC1 34a_100000210247_100011713738 [0,1,0,1,0,0|1,0,1]=4 21099 B12R1.37 C#CCOCCCC1CCCC1 34a_100011215328_100000184674 [0,1,0,1,0,0|1,0,1]=4 21100 B12R1.37 C#CCOCCCC1CCCC1 7a_100011215328_100000038162 [0,1,0,1,0,0|1,0,1]=4 21101 B12R1.37 C#CCSCCCC1CCCC1 62a_100000038162_100011713738 [0,1,0,1,0,0|1,0,1]=4 21102 B12R1.37 C/C=C/CCOCC1CCCC1 34a_100016278192_100000740388 [0,1,0,1,0,0|1,0,1]=4 21103 B12R1.37 C/C=C/CNCCC1CCCC1 34a_100000739158_100102629194 [0,1,0,1,0,0|1,0,1]=4 21104 B12R1.37 C/C=C/COCCC1CCCC1 34a_100000749090_100102629194 [0,1,0,1,0,0|1,0,1]=4 21105 B12R1.37 C/C=C/COCCC1CCCC1 34a_100016270725_100000760354 [0,1,0,1,0,0|1,0,1]=4 21106 B12R1.37 C/C=C/COCCC1CCCC1 7a_100000749090_100102629194 [0,1,0,1,0,0|1,0,1]=4 21107 B12R1.37 C/C=C/CSCCC1CCCC1 62a_100000760354_100102629194 [0,1,0,1,0,0|1,0,1]=4 21108 B12R1.37 C/C=C/CSCCC1CCCC1 62a_100102629194_100000760354 [0,1,0,1,0,0|1,0,1]=4 21109 B12R1.37 C=CCCCCCN1CCCC1 2230a_100000188435_100000700193 [0,1,0,1,0,0|1,0,0]=3 21110 B12R1.37 C=CCCCCCN1CCCC1 269982a_100000188435_100000700193 [0,1,0,1,0,0|1,0,0]=3 21111 B12R1.37 C=CCCCCCN1CCSC1 2230a_100011215254_100000700193 [0,1,0,1,0,0|2,0,0]=4 21112 B12R1.37 C=CCCCCCN1CCSC1 269982a_100011215254_100000700193 [0,1,0,1,0,0|2,0,0]=4 21113 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000211070_100011215482 [0,1,0,1,0,0|1,0,0]=3 21114 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000703577_100000179811 [0,1,0,1,0,0|1,0,0]=3 21115 B12R1.37 C=CCCCCNC1CCCC1 270004a_100000703577_100000210133 [0,1,0,1,0,0|1,0,0]=3 21116 B12R1.37 C=CCCCCNC1CCCC1 34a_100000211070_100011215482 [0,1,0,1,0,0|1,0,0]=3 21117 B12R1.37 C=CCCCCNC1CCCC1 34a_100000703577_100000179811 [0,1,0,1,0,0|1,0,0]=3 21118 B12R1.37 C=CCCCCNC1CCOC1 2230a_100000703577_100000731011 [0,1,0,1,0,0|2,0,0]=4 21119 B12R1.37 C=CCCCCNC1CCOC1 270004a_100000703577_100000752484 [0,1,0,1,0,0|2,0,0]=4 21120 B12R1.37 C=CCCCCNC1CCOC1 34a_100000703577_100000690089 [0,1,0,1,0,0|2,0,0]=4 21121 B12R1.37 C=CCCCCNC1CCSC1 270004a_100000703577_100000212027 [0,1,0,1,0,0|2,0,0]=4 21122 B12R1.37 C=CCCCCN[C@@H]1CCOC1 2230a_200015188469_100011215482 [0,1,0,1,0,0|2,0,0]=4 21123 B12R1.37 C=CCCCCN[C@H]1CCOC1 2230a_100015188467_100011215482 [0,1,0,1,0,0|2,0,0]=4 21124 B12R1.37 C=CCCCCN[C@H]1CCOC1 34a_100015188467_100011215482 [0,1,0,1,0,0|2,0,0]=4 21125 B12R1.37 C=CCCCCOC1CCCC1 34a_100000210269_100011215482 [0,1,0,1,0,0|1,0,0]=3 21126 B12R1.37 C=CCCCCOC1CCCC1 34a_100000766645_100000179811 [0,1,0,1,0,0|1,0,0]=3 21127 B12R1.37 C=CCCCCOC1CCCC1 7a_100000210269_100011215482 [0,1,0,1,0,0|1,0,0]=3 21128 B12R1.37 C=CCCCCOC1CCCC1 7a_100000766645_100000179811 [0,1,0,1,0,0|1,0,0]=3 21129 B12R1.37 C=CCCCCOC1CCCO1 34a_100000085407_100011215482 [0,1,0,1,0,0|2,0,0]=4 21130 B12R1.37 C=CCCCCOC1CCOC1 34a_100000766645_100000690089 [0,1,0,1,0,0|2,0,0]=4 21131 B12R1.37 C=CCCCCOC1CCOC1 7a_100000766645_100000731011 [0,1,0,1,0,0|2,0,0]=4 21132 B12R1.37 C=CCCCCOC1CCSC1 7a_100011232664_100011215482 [0,1,0,1,0,0|2,0,0]=4 21133 B12R1.37 C=CCCCCO[C@H]1CCOC1 34a_100000717292_100011215482 [0,1,0,1,0,0|2,0,0]=4 21134 B12R1.37 C=CCCCCSC1CCCC1 62a_100011215482_100000179811 [0,1,0,1,0,0|1,0,0]=3 21135 B12R1.37 C=CCCCCSC1CCCC1 62a_100011217020_100011215482 [0,1,0,1,0,0|1,0,0]=3 21136 B12R1.37 C=CCCCCSC1CCOC1 62a_100011215482_100000690089 [0,1,0,1,0,0|2,0,0]=4 21137 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000700776_100000740388 [0,1,0,1,0,0|1,0,0]=3 21138 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000737975_100011713584 [0,1,0,1,0,0|1,0,0]=3 21139 B12R1.37 C=CCCCNCC1CCCC1 269862a_100000700776_100000746403 [0,1,0,1,0,0|1,0,0]=3 21140 B12R1.37 C=CCCCNCC1CCCC1 34a_100000700776_100000740388 [0,1,0,1,0,0|1,0,0]=3 21141 B12R1.37 C=CCCCNCC1CCCC1 34a_100000737975_100000757094 [0,1,0,1,0,0|1,0,0]=3 21142 B12R1.37 C=CCCCNCC1CCCO1 2230a_100000700776_100000203698 [0,1,0,1,0,0|2,0,0]=4 21143 B12R1.37 C=CCCCNCC1CCOC1 2230a_100000700776_100000702531 [0,1,0,1,0,0|2,0,0]=4 21144 B12R1.37 C=CCCCNCC1CCOC1 2230a_100000737293_100011713584 [0,1,0,1,0,0|2,0,0]=4 21145 B12R1.37 C=CCCCNCC1CCOC1 34a_100000700776_100011261433 [0,1,0,1,0,0|2,0,0]=4 21146 B12R1.37 C=CCCCNCC1CCOC1 34a_100000737293_100000757094 [0,1,0,1,0,0|2,0,0]=4 21147 B12R1.37 C=CCCCNC[C@@H]1CCCO1 2230a_100020590478_100011713584 [0,1,0,1,0,0|2,0,0]=4 21148 B12R1.37 C=CCCCNC[C@@H]1CCCO1 34a_100020590478_100000757094 [0,1,0,1,0,0|2,0,0]=4 21149 B12R1.37 C=CCCCOCC1CCCC1 34a_100000742336_100000757094 [0,1,0,1,0,0|1,0,0]=3 21150 B12R1.37 C=CCCCOCC1CCCC1 34a_100000758997_100000740388 [0,1,0,1,0,0|1,0,0]=3 21151 B12R1.37 C=CCCCOCC1CCCC1 7a_100000742336_100000757094 [0,1,0,1,0,0|1,0,0]=3 21152 B12R1.37 C=CCCCOCC1CCCC1 7a_100000758997_100000740388 [0,1,0,1,0,0|1,0,0]=3 21153 B12R1.37 C=CCCCOCC1CCCO1 34a_100000210270_100000757094 [0,1,0,1,0,0|2,0,0]=4 21154 B12R1.37 C=CCCCOCC1CCCO1 7a_100000210270_100000757094 [0,1,0,1,0,0|2,0,0]=4 21155 B12R1.37 C=CCCCOCC1CCCO1 7a_100000758997_100000203698 [0,1,0,1,0,0|2,0,0]=4 21156 B12R1.37 C=CCCCOCC1CCNC1 34a_100000748654_100000757094 [0,1,0,1,0,0|2,0,0]=4 21157 B12R1.37 C=CCCCOCC1CCOC1 34a_100000740260_100000757094 [0,1,0,1,0,0|2,0,0]=4 21158 B12R1.37 C=CCCCOCC1CCOC1 34a_100000758997_100011261433 [0,1,0,1,0,0|2,0,0]=4 21159 B12R1.37 C=CCCCOCC1CCOC1 7a_100000758997_100000702531 [0,1,0,1,0,0|2,0,0]=4 21160 B12R1.37 C=CCCCOC[C@H]1CCCN1 34a_100000745186_100000757094 [0,1,0,1,0,0|2,0,0]=4 21161 B12R1.37 C=CCCCSCC1CCCC1 62a_100000740388_100000757094 [0,1,0,1,0,0|1,0,0]=3 21162 B12R1.37 C=CCCCSCC1CCCC1 62a_100011713584_100000740388 [0,1,0,1,0,0|1,0,0]=3 21163 B12R1.37 C=CCCCSCC1CCCO1 62a_100000203698_100000757094 [0,1,0,1,0,0|2,0,0]=4 21164 B12R1.37 C=CCCCSCC1CCCO1 62a_100011713584_100000203698 [0,1,0,1,0,0|2,0,0]=4 21165 B12R1.37 C=CCCCSCC1CCOC1 62a_100000702531_100000757094 [0,1,0,1,0,0|2,0,0]=4 21166 B12R1.37 C=CCCCSCC1CCOC1 62a_100011713584_100000702531 [0,1,0,1,0,0|2,0,0]=4 21167 B12R1.37 C=CCCNCCC1CCCC1 2230a_100000739158_100000754431 [0,1,0,1,0,0|1,0,0]=3 21168 B12R1.37 C=CCCNCCC1CCCC1 2230a_100015191253_100000760354 [0,1,0,1,0,0|1,0,0]=3 21169 B12R1.37 C=CCCNCCC1CCCC1 34a_100000739158_100000754431 [0,1,0,1,0,0|1,0,0]=3 21170 B12R1.37 C=CCCOCCC1CCCC1 34a_100000749090_100000754431 [0,1,0,1,0,0|1,0,0]=3 21171 B12R1.37 C=CCCOCCC1CCCC1 34a_100011205117_100000760354 [0,1,0,1,0,0|1,0,0]=3 21172 B12R1.37 C=CCCOCCC1CCCC1 7a_100000749090_100000754431 [0,1,0,1,0,0|1,0,0]=3 21173 B12R1.37 C=CCCOCCC1CCNC1 34a_100016987287_100000754431 [0,1,0,1,0,0|2,0,0]=4 21174 B12R1.37 C=CCCOCCC1CCOC1 34a_100011879284_100000754431 [0,1,0,1,0,0|2,0,0]=4 21175 B12R1.37 C=CCCSCCC1CCCC1 62a_100000754431_100000760354 [0,1,0,1,0,0|1,0,0]=3 21176 B12R1.37 C=CCCSCCC1CCCC1 62a_100000760354_100000754431 [0,1,0,1,0,0|1,0,0]=3 21177 B12R1.37 C=CCCSCCN1CCCC1 62a_100000700749_100000754431 [0,1,0,1,0,0|2,0,0]=4 21178 B12R1.37 C=CCCSCCN1CCCC1 62a_100000754431_100000004467 [0,1,0,1,0,0|2,0,0]=4 21179 B12R1.37 C=CCNCCCC1CCCC1 2230a_100000736752_100000210623 [0,1,0,1,0,0|1,0,0]=3 21180 B12R1.37 C=CCNCCCC1CCCC1 2230a_100020586998_100011713738 [0,1,0,1,0,0|1,0,0]=3 21181 B12R1.37 C=CCNCCCC1CCCC1 34a_100000736752_100015514636 [0,1,0,1,0,0|1,0,0]=3 21182 B12R1.37 C=CCNCCCN1CCCC1 2230a_100020586998_100011445909 [0,1,0,1,0,0|2,0,0]=4 21183 B12R1.37 C=CCNCCOC1CCCC1 34a_100000741755_100015514636 [0,1,0,1,0,0|2,0,0]=4 21184 B12R1.37 C=CCOCCCC1CCCC1 34a_100011215328_100015514636 [0,1,0,1,0,0|1,0,0]=3 21185 B12R1.37 C=CCOCCCC1CCCC1 34a_200000210373_100011713738 [0,1,0,1,0,0|1,0,0]=3 21186 B12R1.37 C=CCOCCCC1CCCC1 7a_100011215328_100015514636 [0,1,0,1,0,0|1,0,0]=3 21187 B12R1.37 C=CCOCCCN1CCCC1 34a_200000210373_100016991639 [0,1,0,1,0,0|2,0,0]=4 21188 B12R1.37 C=CCOCCNC1CCCC1 34a_200000200444_100015514636 [0,1,0,1,0,0|2,0,0]=4 21189 B12R1.37 C=CCOCCOC1CCCC1 34a_100000037705_100000179811 [0,1,0,1,0,0|2,0,0]=4 21190 B12R1.37 C=CCOCCOC1CCCC1 34a_100000738311_100015514636 [0,1,0,1,0,0|2,0,0]=4 21191 B12R1.37 C=CCOCCOC1CCCC1 7a_100000037705_100000179811 [0,1,0,1,0,0|2,0,0]=4 21192 B12R1.37 C=CCOCCOC1CCCC1 7a_100000738311_100015514636 [0,1,0,1,0,0|2,0,0]=4 21193 B12R1.37 C=CCSCCCC1CCCC1 62a_100000210623_100011713738 [0,1,0,1,0,0|1,0,0]=3 21194 B12R1.37 C=CCSCCCC1CCCC1 62a_100011713738_100000210623 [0,1,0,1,0,0|1,0,0]=3 21195 B12R1.37 C=CCSCCCN1CCCC1 62a_100000210623_100011445909 [0,1,0,1,0,0|2,0,0]=4 21196 B12R1.37 C=CCSCCCN1CCCC1 62a_100016991639_100000210623 [0,1,0,1,0,0|2,0,0]=4 21197 B12R1.37 C=COCCCNC1CCCC1 2230a_100000210767_100000179811 [0,1,0,1,0,0|2,0,0]=4 21198 B12R1.37 C=COCCCNC1CCCC1 270004a_100000210767_100000210133 [0,1,0,1,0,0|2,0,0]=4 21199 B12R1.37 C=COCCCNC1CCCC1 34a_100000210767_100000179811 [0,1,0,1,0,0|2,0,0]=4 21200 B12R1.37 C=COCCNCC1CCCC1 2230a_100000737975_100000039644 [0,1,0,1,0,0|2,0,0]=4 21201 B12R1.37 C=COCCNCC1CCCC1 34a_100000737975_100000039644 [0,1,0,1,0,0|2,0,0]=4 21202 B12R1.37 C=COCCOCC1CCCC1 34a_100000033082_100000740388 [0,1,0,1,0,0|2,0,0]=4 21203 B12R1.37 C=COCCOCC1CCCC1 34a_100000742336_100000039644 [0,1,0,1,0,0|2,0,0]=4 21204 B12R1.37 C=COCCOCC1CCCC1 7a_100000742336_100000039644 [0,1,0,1,0,0|2,0,0]=4 21205 B12R1.37 C=COCCSCC1CCCC1 62a_100000039644_100000740388 [0,1,0,1,0,0|2,0,0]=4 21206 B12R1.37 C=COCCSCC1CCCC1 62a_100000740388_100000039644 [0,1,0,1,0,0|2,0,0]=4 21207 B12R1.37 CC=CCCCOC1CCCC1 34a_100020645299_100000179811 [0,1,0,1,0,0|1,0,1]=4 21208 B12R1.37 CC=CCNCCC1CCCC1 2230a_100000739158_100000070051 [0,1,0,1,0,0|1,0,1]=4 21209 B12R1.37 CC=CCNCCC1CCCC1 34a_100000739158_100000070051 [0,1,0,1,0,0|1,0,1]=4 21210 B12R1.37 CC=CCOCCC1CCCC1 34a_100000749090_100000070051 [0,1,0,1,0,0|1,0,1]=4 21211 B12R1.37 CC=CCOCCC1CCCC1 7a_100000749090_100000070051 [0,1,0,1,0,0|1,0,1]=4 21212 B12R1.37 CC=CCSCCC1CCCC1 62a_100000070051_100000760354 [0,1,0,1,0,0|1,0,1]=4 21213 B12R1.37 CC=CCSCCC1CCCC1 62a_100000760354_100000070051 [0,1,0,1,0,0|1,0,1]=4 21214 B12R1.37 CCCCCCCN1CC=CC1 269982a_100015195280_100000210681 [0,1,0,1,0,0|1,0,1]=4 21215 B12R1.37 CCCCCCCN1CCCC1 2230a_100000188435_100000210681 [0,1,0,1,0,0|1,0,1]=4 21216 B12R1.37 CCCCCCCN1CCCC1 269982a_100000188435_100000210681 [0,1,0,1,0,0|1,0,1]=4 21217 B12R1.37 CCCCCCCN1CCSC1 2230a_100011215254_100000210681 [0,1,0,1,0,0|2,0,0]=4 21218 B12R1.37 CCCCCCCN1CCSC1 269982a_100011215254_100000210681 [0,1,0,1,0,0|2,0,0]=4 21219 B12R1.37 CCCCCCNC1CC=CC1 2230a_100015188752_100000210314 [0,1,0,1,0,0|1,0,1]=4 21220 B12R1.37 CCCCCCNC1CCCC1 2230a_100000210581_100000179811 [0,1,0,1,0,0|1,0,1]=4 21221 B12R1.37 CCCCCCNC1CCCC1 2230a_100000211070_100000210314 [0,1,0,1,0,0|1,0,1]=4 21222 B12R1.37 CCCCCCNC1CCCC1 270004a_100000210581_100000210133 [0,1,0,1,0,0|1,0,1]=4 21223 B12R1.37 CCCCCCNC1CCCC1 34a_100000211070_100000210314 [0,1,0,1,0,0|1,0,1]=4 21224 B12R1.37 CCCCCCNC1CCOC1 2230a_100000210581_100000731011 [0,1,0,1,0,0|2,0,0]=4 21225 B12R1.37 CCCCCCNC1CCOC1 270004a_100000210581_100000752484 [0,1,0,1,0,0|2,0,0]=4 21226 B12R1.37 CCCCCCNC1CCSC1 270004a_100000210581_100000212027 [0,1,0,1,0,0|2,0,0]=4 21227 B12R1.37 CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210314 [0,1,0,1,0,0|2,0,0]=4 21228 B12R1.37 CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210314 [0,1,0,1,0,0|2,0,0]=4 21229 B12R1.37 CCCCCCN[C@H]1CCOC1 34a_100015188467_100000210314 [0,1,0,1,0,0|2,0,0]=4 21230 B12R1.37 CCCCCCOC1CCCC1 34a_100000210259_100000179811 [0,1,0,1,0,0|1,0,1]=4 21231 B12R1.37 CCCCCCOC1CCCC1 34a_100000210269_100000210314 [0,1,0,1,0,0|1,0,1]=4 21232 B12R1.37 CCCCCCOC1CCCC1 7a_100000210259_100000179811 [0,1,0,1,0,0|1,0,1]=4 21233 B12R1.37 CCCCCCOC1CCCC1 7a_100000210269_100000210314 [0,1,0,1,0,0|1,0,1]=4 21234 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [0,1,0,1,0,0|0,0,2]=4 21235 B12R1.37 CCCCCCOC1CCOC1 34a_100000210259_100000690089 [0,1,0,1,0,0|2,0,0]=4 21236 B12R1.37 CCCCCCOC1CCOC1 7a_100000210259_100000731011 [0,1,0,1,0,0|2,0,0]=4 21237 B12R1.37 CCCCCCOC1CCSC1 7a_100011232664_100000210314 [0,1,0,1,0,0|2,0,0]=4 21238 B12R1.37 CCCCCCO[C@H]1CCOC1 34a_100000717292_100000210314 [0,1,0,1,0,0|2,0,0]=4 21239 B12R1.37 CCCCCCSC1CCCC1 62a_100000210314_100000179811 [0,1,0,1,0,0|1,0,1]=4 21240 B12R1.37 CCCCCCSC1CCCC1 62a_100011217020_100000210757 [0,1,0,1,0,0|1,0,1]=4 21241 B12R1.37 CCCCCCSC1CCOC1 62a_100000210314_100000690089 [0,1,0,1,0,0|2,0,0]=4 21242 B12R1.37 CCCCCNCC1CCCC1 2230a_100000209983_100000740388 [0,1,0,1,0,0|1,0,1]=4 21243 B12R1.37 CCCCCNCC1CCCC1 2230a_100000737975_100000210326 [0,1,0,1,0,0|1,0,1]=4 21244 B12R1.37 CCCCCNCC1CCCC1 269862a_100000209983_100000746403 [0,1,0,1,0,0|1,0,1]=4 21245 B12R1.37 CCCCCNCC1CCCC1 34a_100000737975_100000718602 [0,1,0,1,0,0|1,0,1]=4 21246 B12R1.37 CCCCCNCC1CCCO1 2230a_100000209983_100000203698 [0,1,0,1,0,0|0,0,2]=4 21247 B12R1.37 CCCCCNCC1CCOC1 2230a_100000209983_100000702531 [0,1,0,1,0,0|2,0,0]=4 21248 B12R1.37 CCCCCNCC1CCOC1 2230a_100000737293_100000210326 [0,1,0,1,0,0|2,0,0]=4 21249 B12R1.37 CCCCCNCC1CCOC1 34a_100000737293_100000718602 [0,1,0,1,0,0|2,0,0]=4 21250 B12R1.37 CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210326 [0,1,0,1,0,0|0,0,2]=4 21251 B12R1.37 CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000718602 [0,1,0,1,0,0|0,0,2]=4 21252 B12R1.37 CCCCCOCC1CC=CC1 34a_100000688395_100000718602 [0,1,0,1,0,0|1,0,1]=4 21253 B12R1.37 CCCCCOCC1CCCC1 34a_100000210253_100000740388 [0,1,0,1,0,0|1,0,1]=4 21254 B12R1.37 CCCCCOCC1CCCC1 34a_100000742336_100000718602 [0,1,0,1,0,0|1,0,1]=4 21255 B12R1.37 CCCCCOCC1CCCC1 7a_100000210253_100000740388 [0,1,0,1,0,0|1,0,1]=4 21256 B12R1.37 CCCCCOCC1CCCC1 7a_100000742336_100000210326 [0,1,0,1,0,0|1,0,1]=4 21257 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [0,1,0,1,0,0|0,0,2]=4 21258 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [0,1,0,1,0,0|0,0,2]=4 21259 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [0,1,0,1,0,0|0,0,2]=4 21260 B12R1.37 CCCCCOCC1CCNC1 34a_100000748654_100000718602 [0,1,0,1,0,0|2,0,0]=4 21261 B12R1.37 CCCCCOCC1CCOC1 34a_100000210253_100011261433 [0,1,0,1,0,0|2,0,0]=4 21262 B12R1.37 CCCCCOCC1CCOC1 34a_100000740260_100000718602 [0,1,0,1,0,0|2,0,0]=4 21263 B12R1.37 CCCCCOCC1CCOC1 7a_100000210253_100000702531 [0,1,0,1,0,0|2,0,0]=4 21264 B12R1.37 CCCCCOC[C@H]1CCCN1 34a_100000745186_100000718602 [0,1,0,1,0,0|1,0,1]=4 21265 B12R1.37 CCCCCSCC1CCCC1 62a_100000210326_100000740388 [0,1,0,1,0,0|1,0,1]=4 21266 B12R1.37 CCCCCSCC1CCCC1 62a_100000740388_100000210326 [0,1,0,1,0,0|1,0,1]=4 21267 B12R1.37 CCCCCSCC1CCCO1 62a_100000203698_100000210326 [0,1,0,1,0,0|0,0,2]=4 21268 B12R1.37 CCCCCSCC1CCCO1 62a_100000210326_100000203698 [0,1,0,1,0,0|0,0,2]=4 21269 B12R1.37 CCCCCSCC1CCOC1 62a_100000210326_100000702531 [0,1,0,1,0,0|2,0,0]=4 21270 B12R1.37 CCCCCSCC1CCOC1 62a_100000702531_100000210326 [0,1,0,1,0,0|2,0,0]=4 21271 B12R1.37 CCCCNCCC1CCCC1 2230a_100000102301_100000760354 [0,1,0,1,0,0|1,0,1]=4 21272 B12R1.37 CCCCNCCC1CCCC1 2230a_100000739158_100000210211 [0,1,0,1,0,0|1,0,1]=4 21273 B12R1.37 CCCCNCCC1CCCC1 34a_100000739158_100000210210 [0,1,0,1,0,0|1,0,1]=4 21274 B12R1.37 CCCCNCCC1CCCC1 7a_106832991798_100000760354 [0,1,0,1,0,0|1,0,1]=4 21275 B12R1.37 CCCCOCCC1CCCC1 34a_100000210227_100000760354 [0,1,0,1,0,0|1,0,1]=4 21276 B12R1.37 CCCCOCCC1CCCC1 34a_100000749090_100000210210 [0,1,0,1,0,0|1,0,1]=4 21277 B12R1.37 CCCCOCCC1CCCC1 7a_100000210227_100000760354 [0,1,0,1,0,0|1,0,1]=4 21278 B12R1.37 CCCCOCCC1CCCC1 7a_100000749090_100000210211 [0,1,0,1,0,0|1,0,1]=4 21279 B12R1.37 CCCCOCCC1CCNC1 34a_100016987287_100000210210 [0,1,0,1,0,0|2,0,0]=4 21280 B12R1.37 CCCCOCCC1CCOC1 34a_100011879284_100000210210 [0,1,0,1,0,0|2,0,0]=4 21281 B12R1.37 CCCCSCCC1CCCC1 62a_100000210211_100000760354 [0,1,0,1,0,0|1,0,1]=4 21282 B12R1.37 CCCCSCCC1CCCC1 62a_100000760354_100000210210 [0,1,0,1,0,0|1,0,1]=4 21283 B12R1.37 CCCNCCCC1CCCC1 2230a_100000736752_100000210303 [0,1,0,1,0,0|1,0,1]=4 21284 B12R1.37 CCCNCCCC1CCCC1 34a_100000736752_100000210303 [0,1,0,1,0,0|1,0,1]=4 21285 B12R1.37 CCCOCCCC1CCCC1 34a_100000210258_100011713738 [0,1,0,1,0,0|1,0,1]=4 21286 B12R1.37 CCCOCCCC1CCCC1 34a_100011215328_100000210303 [0,1,0,1,0,0|1,0,1]=4 21287 B12R1.37 CCCOCCCC1CCCC1 7a_100011215328_100000210303 [0,1,0,1,0,0|1,0,1]=4 21288 B12R1.37 CCCSCCCC1CCCC1 62a_100000210303_100011713738 [0,1,0,1,0,0|1,0,1]=4 21289 B12R1.37 CCCSCCCC1CCCC1 62a_100011713738_100000210303 [0,1,0,1,0,0|1,0,1]=4 21290 B12R1.37 CNCCCOCC1CCCC1 34a_100000213112_100000740388 [0,1,0,1,0,0|2,0,0]=4 21291 B12R1.37 COCCCCNC1CCCC1 2230a_100000211070_100000730899 [0,1,0,1,0,0|2,0,0]=4 21292 B12R1.37 COCCCCNC1CCCC1 34a_100000211070_100000755781 [0,1,0,1,0,0|2,0,0]=4 21293 B12R1.37 COCCCCOC1CCCC1 34a_100000210269_100000755781 [0,1,0,1,0,0|2,0,0]=4 21294 B12R1.37 COCCCCOC1CCCC1 34a_100000740925_100000179811 [0,1,0,1,0,0|2,0,0]=4 21295 B12R1.37 COCCCCOC1CCCC1 7a_100000210269_100000730899 [0,1,0,1,0,0|2,0,0]=4 21296 B12R1.37 COCCCCSC1CCCC1 62a_100000730899_100000179811 [0,1,0,1,0,0|2,0,0]=4 21297 B12R1.37 COCCCCSC1CCCC1 62a_100011217020_100000730899 [0,1,0,1,0,0|2,0,0]=4 21298 B12R1.37 COCCCNCC1CCCC1 2230a_100000737975_100000740836 [0,1,0,1,0,0|2,0,0]=4 21299 B12R1.37 COCCCNCC1CCCC1 269862a_100150723488_100000746403 [0,1,0,1,0,0|2,0,0]=4 21300 B12R1.37 COCCCNCC1CCCC1 34a_100000737975_100000740836 [0,1,0,1,0,0|2,0,0]=4 21301 B12R1.37 COCCCNCC1CCCC1 34a_100150723488_100000740388 [0,1,0,1,0,0|2,0,0]=4 21302 B12R1.37 COCCCOCC1CCCC1 34a_100000740835_100000740388 [0,1,0,1,0,0|2,0,0]=4 21303 B12R1.37 COCCCOCC1CCCC1 34a_100000742336_100000740836 [0,1,0,1,0,0|2,0,0]=4 21304 B12R1.37 COCCCOCC1CCCC1 7a_100000742336_100000740836 [0,1,0,1,0,0|2,0,0]=4 21305 B12R1.37 COCCCSCC1CCCC1 62a_100000709357_100000740388 [0,1,0,1,0,0|2,0,0]=4 21306 B12R1.37 COCCCSCC1CCCC1 62a_100000740388_100000709357 [0,1,0,1,0,0|2,0,0]=4 21307 B12R1.37 COCCNCCC1CCCC1 2230a_100000209980_100000760354 [0,1,0,1,0,0|2,0,0]=4 21308 B12R1.37 COCCNCCC1CCCC1 2230a_100000739158_100011201679 [0,1,0,1,0,0|2,0,0]=4 21309 B12R1.37 COCCNCCC1CCCC1 34a_100000739158_100011201679 [0,1,0,1,0,0|2,0,0]=4 21310 B12R1.37 COCCOCCC1CCCC1 34a_100000210237_100000760354 [0,1,0,1,0,0|2,0,0]=4 21311 B12R1.37 COCCOCCC1CCCC1 34a_100000749090_100011201679 [0,1,0,1,0,0|2,0,0]=4 21312 B12R1.37 COCCOCCC1CCCC1 7a_100000749090_100000233755 [0,1,0,1,0,0|2,0,0]=4 21313 B12R1.37 COCCSCCC1CCCC1 62a_100000233755_100000760354 [0,1,0,1,0,0|2,0,0]=4 21314 B12R1.37 COCCSCCC1CCCC1 62a_100000760354_100000233755 [0,1,0,1,0,0|2,0,0]=4 21315 B12R1.37 COCNCCCC1CCCC1 2230a_100000736752_100000766300 [0,1,0,1,0,0|2,0,0]=4 21316 B12R1.37 COCSCCCC1CCCC1 62a_100000766300_100011713738 [0,1,0,1,0,0|2,0,0]=4 21317 B12R1.37 COCSCCCC1CCCC1 62a_100011713738_100000766300 [0,1,0,1,0,0|2,0,0]=4 21318 B12R1.37 CSCCCCOC1CCCC1 34a_100011217163_100000179811 [0,1,0,1,0,0|2,0,0]=4 21319 B12R1.37 CSCCCCOC1CCCC1 7a_100011217163_100000179811 [0,1,0,1,0,0|2,0,0]=4 21320 B12R1.37 CSCCCNCC1CCCC1 2230a_100000749238_100000740388 [0,1,0,1,0,0|2,0,0]=4 21321 B12R1.37 CSCCCNCC1CCCC1 269862a_100000749238_100000746403 [0,1,0,1,0,0|2,0,0]=4 21322 B12R1.37 CSCCCOCC1CCCC1 34a_100000690336_100000740388 [0,1,0,1,0,0|2,0,0]=4 21323 B12R1.37 CSCCCOCC1CCCC1 7a_100000690336_100000740388 [0,1,0,1,0,0|2,0,0]=4 21324 B12R1.37 CSCCNCCC1CCCC1 2230a_100000739158_100000751147 [0,1,0,1,0,0|2,0,0]=4 21325 B12R1.37 CSCCNCCC1CCCC1 2230a_100020590264_100000760354 [0,1,0,1,0,0|2,0,0]=4 21326 B12R1.37 CSCCNCCC1CCCC1 34a_100000739158_100000212216 [0,1,0,1,0,0|2,0,0]=4 21327 B12R1.37 CSCCOCCC1CCCC1 34a_100000230434_100000760354 [0,1,0,1,0,0|2,0,0]=4 21328 B12R1.37 CSCCOCCC1CCCC1 34a_100000749090_100000212216 [0,1,0,1,0,0|2,0,0]=4 21329 B12R1.37 CSCCOCCC1CCCC1 7a_100000230434_100000760354 [0,1,0,1,0,0|2,0,0]=4 21330 B12R1.37 CSCCOCCC1CCCC1 7a_100000749090_100000212216 [0,1,0,1,0,0|2,0,0]=4 21331 B12R1.37 CSCCSCCC1CCCC1 62a_100000212216_100000760354 [0,1,0,1,0,0|2,0,0]=4 21332 B12R1.37 CSCCSCCC1CCCC1 62a_100000760354_100000751147 [0,1,0,1,0,0|2,0,0]=4 21333 B12R1.37 CSCNCCCC1CCCC1 2230a_100000736752_100011218213 [0,1,0,1,0,0|2,0,0]=4 21334 B12R1.37 CSCNCCCC1CCCC1 34a_100000736752_100011218213 [0,1,0,1,0,0|2,0,0]=4 21335 B12R1.37 CSCOCCCC1CCCC1 34a_100011215328_100011218213 [0,1,0,1,0,0|2,0,0]=4 21336 B12R1.37 CSCSCCCC1CCCC1 62a_100011218213_100011713738 [0,1,0,1,0,0|2,0,0]=4 21337 B12R1.37 CSCSCCCC1CCCC1 62a_100011713738_100011218213 [0,1,0,1,0,0|2,0,0]=4 21338 B12R1.37 ClCCCCCOC1CCCC1 34a_100000746330_100000179811 [0,1,0,1,0,0|1,0,1]=4 21339 B12R1.37 ClCCCCCOC1CCCC1 7a_100000746330_100000179811 [0,1,0,1,0,0|1,0,1]=4 21340 B12R1.37 ClCCCCOCC1CCCC1 34a_100000210776_100000740388 [0,1,0,1,0,0|1,0,1]=4 21341 B12R1.37 ClCCCCOCC1CCCC1 7a_100000210776_100000740388 [0,1,0,1,0,0|1,0,1]=4 21342 B12R1.37 ClCCCOCCC1CCCC1 34a_100000230001_100000760354 [0,1,0,1,0,0|1,0,1]=4 21343 B12R1.37 FCCCCCCN1CCCC1 2230a_100000188435_100015922095 [0,1,0,1,0,0|1,0,1]=4 21344 B12R1.37 FCCCCCCN1CCCC1 269982a_100000188435_100015922095 [0,1,0,1,0,0|1,0,1]=4 21345 B12R1.37 FCCCCCNC1CCCC1 2230a_100000211070_100000729378 [0,1,0,1,0,0|1,0,1]=4 21346 B12R1.37 FCCCCCNC1CCCC1 34a_100000211070_100000729378 [0,1,0,1,0,0|1,0,1]=4 21347 B12R1.37 FCCCCCOC1CCCC1 34a_100000210269_100000729378 [0,1,0,1,0,0|1,0,1]=4 21348 B12R1.37 FCCCCCOC1CCCC1 7a_100000210269_100000729378 [0,1,0,1,0,0|1,0,1]=4 21349 B12R1.37 FCCCCCSC1CCCC1 62a_100000729378_100000179811 [0,1,0,1,0,0|1,0,1]=4 21350 B12R1.37 FCCCCCSC1CCCC1 62a_100011217020_100000729378 [0,1,0,1,0,0|1,0,1]=4 21351 B12R1.37 FCCCCNCC1CCCC1 2230a_100000737975_100000729493 [0,1,0,1,0,0|1,0,1]=4 21352 B12R1.37 FCCCCNCC1CCCC1 34a_100000737975_100000729493 [0,1,0,1,0,0|1,0,1]=4 21353 B12R1.37 FCCCCOCC1CCCC1 34a_100000742336_100000729493 [0,1,0,1,0,0|1,0,1]=4 21354 B12R1.37 FCCCCOCC1CCCC1 34a_100011995726_100000740388 [0,1,0,1,0,0|1,0,1]=4 21355 B12R1.37 FCCCCOCC1CCCC1 7a_100000742336_100000729493 [0,1,0,1,0,0|1,0,1]=4 21356 B12R1.37 FCCCCOCC1CCCC1 7a_100011995726_100000740388 [0,1,0,1,0,0|1,0,1]=4 21357 B12R1.37 FCCCCSCC1CCCC1 62a_100000729493_100000740388 [0,1,0,1,0,0|1,0,1]=4 21358 B12R1.37 FCCCCSCC1CCCC1 62a_100000740388_100000729493 [0,1,0,1,0,0|1,0,1]=4 21359 B12R1.37 FCCCNCCC1CCCC1 2230a_100000739158_100011934791 [0,1,0,1,0,0|1,0,1]=4 21360 B12R1.37 FCCCNCCC1CCCC1 2230a_100015189416_100000760354 [0,1,0,1,0,0|1,0,1]=4 21361 B12R1.37 FCCCNCCC1CCCC1 34a_100000739158_100011934791 [0,1,0,1,0,0|1,0,1]=4 21362 B12R1.37 FCCCNCCC1CCCC1 34a_100015189416_100000760354 [0,1,0,1,0,0|1,0,1]=4 21363 B12R1.37 FCCCOCCC1CCCC1 34a_100000749090_100011934791 [0,1,0,1,0,0|1,0,1]=4 21364 B12R1.37 FCCCOCCC1CCCC1 34a_100000759539_100000760354 [0,1,0,1,0,0|1,0,1]=4 21365 B12R1.37 FCCCOCCC1CCCC1 7a_100000749090_100011934791 [0,1,0,1,0,0|1,0,1]=4 21366 B12R1.37 FCCCSCCC1CCCC1 62a_100000760354_100011934791 [0,1,0,1,0,0|1,0,1]=4 21367 B12R1.37 FCCCSCCC1CCCC1 62a_100011934791_100000760354 [0,1,0,1,0,0|1,0,1]=4 21368 B12R1.37 FCCNCCCC1CCCC1 2230a_100000736752_100011217306 [0,1,0,1,0,0|1,0,1]=4 21369 B12R1.37 FCCNCCCC1CCCC1 34a_100000724931_100011713738 [0,1,0,1,0,0|1,0,1]=4 21370 B12R1.37 FCCNCCCC1CCCC1 34a_100000736752_100011217306 [0,1,0,1,0,0|1,0,1]=4 21371 B12R1.37 FCCOCCCC1CCCC1 34a_100011215328_100011217306 [0,1,0,1,0,0|1,0,1]=4 21372 B12R1.37 FCCOCCCC1CCCC1 7a_100011215328_100011217306 [0,1,0,1,0,0|1,0,1]=4 21373 B12R1.37 FCCSCCCC1CCCC1 62a_100011217306_100011713738 [0,1,0,1,0,0|1,0,1]=4 21374 B12R1.37 FCCSCCCC1CCCC1 62a_100011713738_100011217306 [0,1,0,1,0,0|1,0,1]=4 21375 B12R1.37 ICCCCCOC1CCCC1 34a_200012148887_100000179811 [0,1,0,1,0,0|1,0,1]=4 21376 B12R1.37 ICCCCCOC1CCCC1 7a_200012148887_100000179811 [0,1,0,1,0,0|1,0,1]=4 21377 B12R1.37 ICCCCOCC1CCCC1 34a_200012148704_100000740388 [0,1,0,1,0,0|1,0,1]=4 21378 B12R1.37 N#CCCCCCN1CCCC1 2230a_100000188435_100009813376 [0,1,0,1,0,0|1,0,1]=4 21379 B12R1.37 N#CCCCCCN1CCCC1 269982a_100000188435_100009813376 [0,1,0,1,0,0|1,0,1]=4 21380 B12R1.37 N#CCCCCNC1CCCC1 2230a_100000211070_100000211819 [0,1,0,1,0,0|1,0,1]=4 21381 B12R1.37 N#CCCCCNC1CCCC1 270004a_100000751965_100000210133 [0,1,0,1,0,0|1,0,1]=4 21382 B12R1.37 N#CCCCCOC1CCCC1 7a_100000210269_100000211819 [0,1,0,1,0,0|1,0,1]=4 21383 B12R1.37 N#CCCCCSC1CCCC1 62a_100011217020_100000211819 [0,1,0,1,0,0|1,0,1]=4 21384 B12R1.37 N#CCCCCSC1CCCC1 62a_100011219923_100000179811 [0,1,0,1,0,0|1,0,1]=4 21385 B12R1.37 N#CCCCNCC1CCCC1 2230a_100000737975_100000687738 [0,1,0,1,0,0|1,0,1]=4 21386 B12R1.37 N#CCCCOCC1CCCC1 7a_100000742336_100000687738 [0,1,0,1,0,0|1,0,1]=4 21387 B12R1.37 N#CCCCSCC1CCCC1 62a_100000687738_100000740388 [0,1,0,1,0,0|1,0,1]=4 21388 B12R1.37 N#CCCCSCC1CCCC1 62a_100000740388_100000687738 [0,1,0,1,0,0|1,0,1]=4 21389 B12R1.37 N#CCCNCCC1CCCC1 2230a_100000739158_100011215226 [0,1,0,1,0,0|1,0,1]=4 21390 B12R1.37 N#CCCOCCC1CCCC1 7a_100000749090_100000184422 [0,1,0,1,0,0|1,0,1]=4 21391 B12R1.37 N#CCCSCCC1CCCC1 62a_100000760354_100011215226 [0,1,0,1,0,0|1,0,1]=4 21392 B12R1.37 N#CCCSCCC1CCCC1 62a_100011215226_100000760354 [0,1,0,1,0,0|1,0,1]=4 21393 B12R1.37 N#CCNCCCC1CCCC1 2230a_100000736752_100011215382 [0,1,0,1,0,0|1,0,1]=4 21394 B12R1.37 N#CCOCCCC1CCCC1 7a_100011215328_100011215382 [0,1,0,1,0,0|1,0,1]=4 21395 B12R1.37 N#CCSCCCC1CCCC1 62a_100011215382_100011713738 [0,1,0,1,0,0|1,0,1]=4 21396 B12R1.37 N#CCSCCCC1CCCC1 62a_100011713738_100011215382 [0,1,0,1,0,0|1,0,1]=4 21397 B12R1.37 NCCCCCOC1CCCC1 34a_100000762737_100000179811 [0,1,0,1,0,0|1,0,1]=4 21398 B12R1.37 NCCCCOCC1CCCC1 34a_100000750430_100000740388 [0,1,0,1,0,0|1,0,1]=4 21399 B12R1.37 NCCCOCCC1CCCC1 34a_100000182051_100000760354 [0,1,0,1,0,0|1,0,1]=4 21400 B12R1.37 NCCOCCCC1CCCC1 34a_100000210304_100011713738 [0,1,0,1,0,0|1,0,1]=4 21401 B12R1.37 NOCCOCCC1CCCC1 34a_100000700252_100000760354 [0,1,0,1,0,0|2,0,0]=4 21402 B12R1.37 O=CCCCCCN1CC=CC1 269982a_100015195280_100000139337 [0,1,0,1,0,0|0,0,2]=4 21403 B12R1.37 O=CCCCCCN1CCCC1 2230a_100000188435_100000139337 [0,1,0,1,0,0|0,0,0]=2 21404 B12R1.37 O=CCCCCCN1CCCC1 269982a_100000188435_100000139337 [0,1,0,1,0,0|0,0,0]=2 21405 B12R1.37 O=CCCCCCN1CCSC1 2230a_100011215254_100000139337 [0,1,0,1,0,0|1,0,0]=3 21406 B12R1.37 O=CCCCCCN1CCSC1 269982a_100011215254_100000139337 [0,1,0,1,0,0|1,0,0]=3 21407 B12R1.37 O=CCCCCNC1CC=CC1 2230a_100015188752_100000139335 [0,1,0,1,0,0|0,0,2]=4 21408 B12R1.37 O=CCCCCNC1CCCC1 2230a_100000211070_100000139335 [0,1,0,1,0,0|0,0,0]=2 21409 B12R1.37 O=CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000139335 [0,1,0,1,0,0|1,0,0]=3 21410 B12R1.37 O=CCCCCN[C@H]1CCOC1 2230a_100015188467_100000139335 [0,1,0,1,0,0|1,0,0]=3 21411 B12R1.37 O=CCCCCOC1CCCC1 7a_100000210269_100000139335 [0,1,0,1,0,0|0,0,0]=2 21412 B12R1.37 O=CCCCCOC1CCSC1 7a_100011232664_100000139335 [0,1,0,1,0,0|1,0,0]=3 21413 B12R1.37 O=CCCCCSC1CCCC1 62a_100000139335_100000179811 [0,1,0,1,0,0|0,0,0]=2 21414 B12R1.37 O=CCCCCSC1CCCC1 62a_100011217020_100000139335 [0,1,0,1,0,0|0,0,0]=2 21415 B12R1.37 O=CCCCCSC1CCOC1 62a_100000139335_100000690089 [0,1,0,1,0,0|1,0,0]=3 21416 B12R1.37 O=CCCCNCC1CCCC1 2230a_100000737975_200011292268 [0,1,0,1,0,0|0,0,0]=2 21417 B12R1.37 O=CCCCNCC1CCOC1 2230a_100000737293_200011292268 [0,1,0,1,0,0|1,0,0]=3 21418 B12R1.37 O=CCCCNCC1OCCO1 2230a_100000036311_200011292268 [0,1,0,1,0,0|2,0,0]=4 21419 B12R1.37 O=CCCCNC[C@@H]1CCCO1 2230a_100020590478_200011292268 [0,1,0,1,0,0|1,0,0]=3 21420 B12R1.37 O=CCCCOCC1CCCC1 7a_100000742336_200011292268 [0,1,0,1,0,0|0,0,0]=2 21421 B12R1.37 O=CCCCOCC1CCCO1 7a_100000210270_200011292268 [0,1,0,1,0,0|1,0,0]=3 21422 B12R1.37 O=CCCCSCC1CCCC1 62a_100000740388_200011292268 [0,1,0,1,0,0|0,0,0]=2 21423 B12R1.37 O=CCCCSCC1CCCC1 62a_200011292268_100000740388 [0,1,0,1,0,0|0,0,0]=2 21424 B12R1.37 O=CCCCSCC1CCCO1 62a_100000203698_200011292268 [0,1,0,1,0,0|1,0,0]=3 21425 B12R1.37 O=CCCCSCC1CCCO1 62a_200011292268_100000203698 [0,1,0,1,0,0|1,0,0]=3 21426 B12R1.37 O=CCCCSCC1CCOC1 62a_100000702531_200011292268 [0,1,0,1,0,0|1,0,0]=3 21427 B12R1.37 O=CCCCSCC1CCOC1 62a_200011292268_100000702531 [0,1,0,1,0,0|1,0,0]=3 21428 B12R1.37 O=CCCCSCC1OCCO1 62a_100000755774_200011292268 [0,1,0,1,0,0|2,0,0]=4 21429 B12R1.37 O=CCCCSCC1OCCO1 62a_200011292268_100000755774 [0,1,0,1,0,0|2,0,0]=4 21430 B12R1.37 O=CCNCCCC1CCCC1 2230a_100000736752_200015260668 [0,1,0,1,0,0|0,0,0]=2 21431 B12R1.37 O=CCNCCCC1CCCC1 34a_100000736752_200009817547 [0,1,0,1,0,0|0,0,0]=2 21432 B12R1.37 O=CCNCCOC1CCCC1 34a_100000741755_200009817547 [0,1,0,1,0,0|1,0,0]=3 21433 B12R1.37 O=CCOCCCC1CCCC1 34a_100011215328_200009817547 [0,1,0,1,0,0|0,0,0]=2 21434 B12R1.37 O=CCOCCCC1CCCC1 7a_100011215328_200015260668 [0,1,0,1,0,0|0,0,0]=2 21435 B12R1.37 O=CCOCCCC1OCCO1 34a_100009871617_200009817547 [0,1,0,1,0,0|2,0,0]=4 21436 B12R1.37 O=CCOCCCC1OCCO1 7a_100009871617_200015260668 [0,1,0,1,0,0|2,0,0]=4 21437 B12R1.37 O=CCOCCNC1CCCC1 34a_200000200444_200009817547 [0,1,0,1,0,0|1,0,0]=3 21438 B12R1.37 O=CCOCCOC1CCCC1 34a_100000738311_200009817547 [0,1,0,1,0,0|1,0,0]=3 21439 B12R1.37 O=CCOCCOC1CCCC1 7a_100000738311_200015260668 [0,1,0,1,0,0|1,0,0]=3 21440 B12R1.37 O=CCSCCCC1CCCC1 62a_100011713738_200015260668 [0,1,0,1,0,0|0,0,0]=2 21441 B12R1.37 O=CCSCCCC1CCCC1 62a_200015260668_100011713738 [0,1,0,1,0,0|0,0,0]=2 21442 B12R1.37 O=CCSCCCC1OCCO1 62a_200015260668_100000042513 [0,1,0,1,0,0|2,0,0]=4 21443 B12R1.37 O=CCSCCCN1CCCC1 62a_100016991639_200015260668 [0,1,0,1,0,0|1,0,0]=3 21444 B12R1.37 O=CCSCCCN1CCCC1 62a_200015260668_100011445909 [0,1,0,1,0,0|1,0,0]=3 21445 B12R1.37 OCCCCCCN1CCCC1 2230a_100000188435_100000766143 [0,1,0,1,0,0|0,0,2]=4 21446 B12R1.37 OCCCCCCN1CCCC1 269982a_100000188435_100000766143 [0,1,0,1,0,0|0,0,2]=4 21447 B12R1.37 OCCCCCNC1CCCC1 2230a_100000211070_100000746330 [0,1,0,1,0,0|0,0,2]=4 21448 B12R1.37 OCCCCCNC1CCCC1 2230a_100000762737_100000179811 [0,1,0,1,0,0|0,0,2]=4 21449 B12R1.37 OCCCCCNC1CCCC1 270004a_100000762737_100000210133 [0,1,0,1,0,0|0,0,2]=4 21450 B12R1.37 OCCCCCNC1CCCC1 34a_100000211070_100000746330 [0,1,0,1,0,0|0,0,2]=4 21451 B12R1.37 OCCCCCNC1CCCC1 34a_100000762737_100000179811 [0,1,0,1,0,0|0,0,2]=4 21452 B12R1.37 OCCCCCOC1CCCC1 34a_100000210269_100000746330 [0,1,0,1,0,0|0,0,2]=4 21453 B12R1.37 OCCCCCOC1CCCC1 7a_100000210269_100000746330 [0,1,0,1,0,0|0,0,2]=4 21454 B12R1.37 OCCCCCSC1CCCC1 62a_100000746330_100000179811 [0,1,0,1,0,0|0,0,2]=4 21455 B12R1.37 OCCCCCSC1CCCC1 62a_100011217020_100000746330 [0,1,0,1,0,0|0,0,2]=4 21456 B12R1.37 OCCCCNCC1CCCC1 2230a_100000737975_100000210776 [0,1,0,1,0,0|0,0,2]=4 21457 B12R1.37 OCCCCNCC1CCCC1 2230a_100000750430_100000740388 [0,1,0,1,0,0|0,0,2]=4 21458 B12R1.37 OCCCCNCC1CCCC1 269862a_100000750430_100000746403 [0,1,0,1,0,0|0,0,2]=4 21459 B12R1.37 OCCCCNCC1CCCC1 34a_100000737975_100011216708 [0,1,0,1,0,0|0,0,2]=4 21460 B12R1.37 OCCCCNCC1CCCC1 34a_100000750430_100000740388 [0,1,0,1,0,0|0,0,2]=4 21461 B12R1.37 OCCCCOCC1CCCC1 34a_100000742336_100011216708 [0,1,0,1,0,0|0,0,2]=4 21462 B12R1.37 OCCCCOCC1CCCC1 7a_100000742336_100000210776 [0,1,0,1,0,0|0,0,2]=4 21463 B12R1.37 OCCCCSCC1CCCC1 62a_100000210776_100000740388 [0,1,0,1,0,0|0,0,2]=4 21464 B12R1.37 OCCCCSCC1CCCC1 62a_100000740388_100000210776 [0,1,0,1,0,0|0,0,2]=4 21465 B12R1.37 OCCCNCCC1CCCC1 2230a_100000739158_100000230001 [0,1,0,1,0,0|0,0,2]=4 21466 B12R1.37 OCCCNCCC1CCCC1 34a_100000739158_100000230001 [0,1,0,1,0,0|0,0,2]=4 21467 B12R1.37 OCCCOCCC1CCCC1 34a_100000749090_100000230001 [0,1,0,1,0,0|0,0,2]=4 21468 B12R1.37 OCCCOCCC1CCCC1 7a_100000749090_100011215043 [0,1,0,1,0,0|0,0,2]=4 21469 B12R1.37 OCCCSCCC1CCCC1 62a_100000760354_100011215043 [0,1,0,1,0,0|0,0,2]=4 21470 B12R1.37 OCCCSCCC1CCCC1 62a_100011215043_100000760354 [0,1,0,1,0,0|0,0,2]=4 21471 B12R1.37 OCCNCCCC1CCCC1 2230a_100000736752_100000211926 [0,1,0,1,0,0|0,0,2]=4 21472 B12R1.37 OCCNCCCC1CCCC1 2230a_100016997473_100011713738 [0,1,0,1,0,0|0,0,2]=4 21473 B12R1.37 OCCNCCCC1CCCC1 34a_100000736752_100000211926 [0,1,0,1,0,0|0,0,2]=4 21474 B12R1.37 OCCNCCCC1CCCC1 34a_100016990907_100011713738 [0,1,0,1,0,0|0,0,2]=4 21475 B12R1.37 OCCOCCCC1CCCC1 34a_100011215328_100000211926 [0,1,0,1,0,0|0,0,2]=4 21476 B12R1.37 OCCOCCCC1CCCC1 7a_100011215328_100000211926 [0,1,0,1,0,0|0,0,2]=4 21477 B12R1.37 OCCSCCCC1CCCC1 62a_100000211926_100011713738 [0,1,0,1,0,0|0,0,2]=4 21478 B12R1.37 OCCSCCCC1CCCC1 62a_100011713738_100000211926 [0,1,0,1,0,0|0,0,2]=4 21479 B12R1.45 C#CCCCN1CCCC1CC 2230a_100000754278_100000731252 [0,1,0,1,0,0|1,0,1]=4 21480 B12R1.45 C#CCCCN1CCCC1CC 269982a_100000754278_100011215417 [0,1,0,1,0,0|1,0,1]=4 21481 B12R1.45 C#CCCCN1CCCC1CC 34a_100000754278_100000695029 [0,1,0,1,0,0|1,0,1]=4 21482 B12R1.45 C=CCCCN1CCCC1CC 2230a_100000754278_100011713584 [0,1,0,1,0,0|1,0,0]=3 21483 B12R1.45 C=CCCCN1CCCC1CC 269982a_100000754278_100000757094 [0,1,0,1,0,0|1,0,0]=3 21484 B12R1.45 C=CCCCN1CCCC1CC 34a_100000754278_100000757094 [0,1,0,1,0,0|1,0,0]=3 21485 B12R1.45 C=CCCCN1CCC[C@@H]1CO 2230a_100000745186_100011713584 [0,1,0,1,0,0|2,0,0]=4 21486 B12R1.45 C=CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000757094 [0,1,0,1,0,0|2,0,0]=4 21487 B12R1.45 C=CCCCN1CCC[C@@H]1CO 34a_100000745186_100000757094 [0,1,0,1,0,0|2,0,0]=4 21488 B12R1.45 C=CCCNC1CCCC1CC 269862a_100015191253_100000749056 [0,1,0,1,0,0|1,0,0]=3 21489 B12R1.45 C=CCCNC1CCCC1CC 270004a_100015191253_100000749056 [0,1,0,1,0,0|1,0,0]=3 21490 B12R1.45 C=CCNCC1CCCN1CC 2230a_100000211693_100000210623 [0,1,0,1,0,0|2,0,0]=4 21491 B12R1.45 C=CCOC[C@H]1CCCN1CC 34a_100011739246_100015514636 [0,1,0,1,0,0|2,0,0]=4 21492 B12R1.45 C=CCOC[C@H]1CCCN1CC 7a_100011739246_100015514636 [0,1,0,1,0,0|2,0,0]=4 21493 B12R1.45 C=COCCN1CCCC1CC 2230a_100000754278_100000039644 [0,1,0,1,0,0|2,0,0]=4 21494 B12R1.45 C=COCCN1CCCC1CC 269982a_100000754278_100000039644 [0,1,0,1,0,0|2,0,0]=4 21495 B12R1.45 C=COCCN1CCCC1CC 34a_100000754278_100000039644 [0,1,0,1,0,0|2,0,0]=4 21496 B12R1.45 CCC1C=CCN1CCCC=O 2230a_100000730860_200011292268 [0,1,0,1,0,0|0,0,2]=4 21497 B12R1.45 CCC1C=CCN1CCCC=O 269982a_100000730860_200011292268 [0,1,0,1,0,0|0,0,2]=4 21498 B12R1.45 CCC1CCCC1NCCC#N 270004a_100000720768_100000749056 [0,1,0,1,0,0|1,0,1]=4 21499 B12R1.45 CCC1CCCC1NCCCF 269862a_100015189416_100000749056 [0,1,0,1,0,0|1,0,1]=4 21500 B12R1.45 CCC1CCCC1NCCCF 270004a_100015189416_100000749056 [0,1,0,1,0,0|1,0,1]=4 21501 B12R1.45 CCC1CCCC1NCCCO 269862a_100000182051_100000749056 [0,1,0,1,0,0|0,0,2]=4 21502 B12R1.45 CCC1CCCC1NCCCO 270004a_100000182051_100000749056 [0,1,0,1,0,0|0,0,2]=4 21503 B12R1.45 CCC1CCCC1NCCOC 269862a_100000209980_100000749056 [0,1,0,1,0,0|2,0,0]=4 21504 B12R1.45 CCC1CCCC1NCCOC 270004a_100000209980_100000749056 [0,1,0,1,0,0|2,0,0]=4 21505 B12R1.45 CCC1CCCC1NCCSC 269862a_100020590264_100000749056 [0,1,0,1,0,0|2,0,0]=4 21506 B12R1.45 CCC1CCCC1NCCSC 270004a_100020590264_100000749056 [0,1,0,1,0,0|2,0,0]=4 21507 B12R1.45 CCC1CCCN1CCCC#N 2230a_100000754278_100000687738 [0,1,0,1,0,0|1,0,1]=4 21508 B12R1.45 CCC1CCCN1CCCC#N 269982a_100000754278_100000687738 [0,1,0,1,0,0|1,0,1]=4 21509 B12R1.45 CCC1CCCN1CCCC=O 2230a_100000754278_200011292268 [0,1,0,1,0,0|0,0,0]=2 21510 B12R1.45 CCC1CCCN1CCCC=O 269982a_100000754278_200011292268 [0,1,0,1,0,0|0,0,0]=2 21511 B12R1.45 CCC1CCCN1CCCCF 2230a_100000754278_100000729493 [0,1,0,1,0,0|1,0,1]=4 21512 B12R1.45 CCC1CCCN1CCCCF 269982a_100000754278_100000729493 [0,1,0,1,0,0|1,0,1]=4 21513 B12R1.45 CCC1CCCN1CCCCF 34a_100000754278_100000729493 [0,1,0,1,0,0|1,0,1]=4 21514 B12R1.45 CCC1CCCN1CCCCO 2230a_100000754278_100000210776 [0,1,0,1,0,0|0,0,2]=4 21515 B12R1.45 CCC1CCCN1CCCCO 269982a_100000754278_100000210776 [0,1,0,1,0,0|0,0,2]=4 21516 B12R1.45 CCC1CCCN1CCCCO 34a_100000754278_100011216708 [0,1,0,1,0,0|0,0,2]=4 21517 B12R1.45 CCC1CCCN1CCCOC 2230a_100000754278_100000740836 [0,1,0,1,0,0|2,0,0]=4 21518 B12R1.45 CCC1CCCN1CCCOC 269982a_100000754278_100000740836 [0,1,0,1,0,0|2,0,0]=4 21519 B12R1.45 CCC1CCCN1CCCOC 34a_100000754278_100000740836 [0,1,0,1,0,0|2,0,0]=4 21520 B12R1.45 CCCCCC1CCCC1NC 269862a_106832991636_200000198059 [0,1,0,1,0,0|1,0,1]=4 21521 B12R1.45 CCCCCC1CCCC1NC 270004a_106832991635_200000198059 [0,1,0,1,0,0|1,0,1]=4 21522 B12R1.45 CCCCCN1CCCC1C#N 2230a_100000701862_100000210326 [0,1,0,1,0,0|1,0,1]=4 21523 B12R1.45 CCCCCN1CCCC1CC 2230a_100000754278_100000210326 [0,1,0,1,0,0|1,0,1]=4 21524 B12R1.45 CCCCCN1CCCC1CC 269982a_100000754278_100000210215 [0,1,0,1,0,0|1,0,1]=4 21525 B12R1.45 CCCCCN1CCCC1CC 34a_100000754278_100000718602 [0,1,0,1,0,0|1,0,1]=4 21526 B12R1.45 CCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210326 [0,1,0,1,0,0|1,0,1]=4 21527 B12R1.45 CCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210215 [0,1,0,1,0,0|1,0,1]=4 21528 B12R1.45 CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210326 [0,1,0,1,0,0|0,0,2]=4 21529 B12R1.45 CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210215 [0,1,0,1,0,0|0,0,2]=4 21530 B12R1.45 CCCCCN1CCC[C@@H]1CO 34a_100000745186_100000718602 [0,1,0,1,0,0|0,0,2]=4 21531 B12R1.45 CCCCNC1CCCC1CC 269862a_100000102301_100000749056 [0,1,0,1,0,0|1,0,1]=4 21532 B12R1.45 CCCCNC1CCCC1CC 270004a_100000102301_100000749056 [0,1,0,1,0,0|1,0,1]=4 21533 B12R1.45 CCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210210 [0,1,0,1,0,0|1,0,1]=4 21534 B12R1.45 CCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210211 [0,1,0,1,0,0|1,0,1]=4 21535 B12R1.45 CCN1CCCC1CNCC=O 2230a_100000211693_200015260668 [0,1,0,1,0,0|1,0,0]=3 21536 B12R1.45 CCN1CCC[C@@H]1COCC=O 34a_100011739246_200009817547 [0,1,0,1,0,0|1,0,0]=3 21537 B12R1.45 CCN1CCC[C@@H]1COCC=O 7a_100011739246_200015260668 [0,1,0,1,0,0|1,0,0]=3 21538 B12R1.45 N#CC1CCCN1CCCC=O 2230a_100000701862_200011292268 [0,1,0,1,0,0|1,0,1]=4 21539 B12R1.45 N#C[C@H]1CCCN1CCCC=O 2230a_106645074975_200011292268 [0,1,0,1,0,0|1,0,1]=4 21540 B12R1.45 N#C[C@H]1CCCN1CCCC=O 269982a_106645074975_200011292268 [0,1,0,1,0,0|1,0,1]=4 21541 B12R1.45 O=CCCCN1CCC[C@@H]1CO 2230a_100000745186_200011292268 [0,1,0,1,0,0|1,0,0]=3 21542 B12R1.45 O=CCCCN1CCC[C@@H]1CO 269982a_100000745186_200011292268 [0,1,0,1,0,0|1,0,0]=3 21543 B12R1.121 C#CC1CCCCN1CCCC 2230a_200020621307_100000210211 [0,1,0,1,0,0|1,0,1]=4 21544 B12R1.121 C#CC1CCCCN1CCCC 269982a_200020621307_100000210211 [0,1,0,1,0,0|1,0,1]=4 21545 B12R1.121 C#CC1CCCCN1CCCC 34a_200020621307_100000210210 [0,1,0,1,0,0|1,0,1]=4 21546 B12R1.121 C#CCCN1CCCCC1CC 2230a_100000210034_100000688953 [0,1,0,1,0,0|1,0,1]=4 21547 B12R1.121 C#CCCN1CCCCC1CC 269982a_100000210034_100000730999 [0,1,0,1,0,0|1,0,1]=4 21548 B12R1.121 C#CCCN1CCCCC1CC 34a_100000210034_100000688953 [0,1,0,1,0,0|1,0,1]=4 21549 B12R1.121 C#CCOC1CCCCC1CC 34a_100000210738_100000184674 [0,1,0,1,0,0|1,0,1]=4 21550 B12R1.121 C#CCOC1CCCCC1CC 7a_100000210738_100000038162 [0,1,0,1,0,0|1,0,1]=4 21551 B12R1.121 C/C=C/CN1CCCCC1CC 269982a_100000210034_100102629194 [0,1,0,1,0,0|1,0,1]=4 21552 B12R1.121 C/C=C/CN1CCCCC1CC 34a_100000210034_100102629194 [0,1,0,1,0,0|1,0,1]=4 21553 B12R1.121 C=CCCN1CCCCC1CC 2230a_100000210034_100000754431 [0,1,0,1,0,0|1,0,0]=3 21554 B12R1.121 C=CCCN1CCCCC1CC 269982a_100000210034_100000754431 [0,1,0,1,0,0|1,0,0]=3 21555 B12R1.121 C=CCCN1CCCCC1CC 34a_100000210034_100000754431 [0,1,0,1,0,0|1,0,0]=3 21556 B12R1.121 C=CCCN1CCCCC1CO 2230a_100000210821_100000754431 [0,1,0,1,0,0|2,0,0]=4 21557 B12R1.121 C=CCCN1CCCCC1CO 269982a_100000210821_100000754431 [0,1,0,1,0,0|2,0,0]=4 21558 B12R1.121 C=CCCN1CCCCC1CO 34a_100000210821_100000754431 [0,1,0,1,0,0|2,0,0]=4 21559 B12R1.121 C=CCCN1CCOC[C@@H]1CC 2230a_100016988097_100000754431 [0,1,0,1,0,0|2,0,0]=4 21560 B12R1.121 C=CCCN1CCOC[C@@H]1CC 269982a_100016988097_100000754431 [0,1,0,1,0,0|2,0,0]=4 21561 B12R1.121 C=CCCN1CCOC[C@@H]1CC 34a_100016988097_100000754431 [0,1,0,1,0,0|2,0,0]=4 21562 B12R1.121 C=CCNC1CCCCC1CC 270004a_100020586998_100000757040 [0,1,0,1,0,0|1,0,0]=3 21563 B12R1.121 C=CCNC1CCCCC1CO 270004a_100020586998_100009861125 [0,1,0,1,0,0|2,0,0]=4 21564 B12R1.121 C=CCNC1CCCCC1OC 270004a_100020586998_100000740605 [0,1,0,1,0,0|2,0,0]=4 21565 B12R1.121 C=CCNC1CCCCC1OC 34a_100011208099_100015514636 [0,1,0,1,0,0|2,0,0]=4 21566 B12R1.121 C=CCOC1CCCCC1CC 34a_100000210738_100015514636 [0,1,0,1,0,0|1,0,0]=3 21567 B12R1.121 C=CCOC1CCCCC1CC 7a_100000210738_100015514636 [0,1,0,1,0,0|1,0,0]=3 21568 B12R1.121 C=CCOC1CCCCC1CN 34a_100011216029_100015514636 [0,1,0,1,0,0|2,0,0]=4 21569 B12R1.121 C=CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100015514636 [0,1,0,1,0,0|2,0,0]=4 21570 B12R1.121 C=CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100015514636 [0,1,0,1,0,0|2,0,0]=4 21571 B12R1.121 C=CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100015514636 [0,1,0,1,0,0|2,0,0]=4 21572 B12R1.121 CC=CCN1CCCCC1CC 2230a_100000210034_100000070051 [0,1,0,1,0,0|1,0,1]=4 21573 B12R1.121 CC=CCN1CCCCC1CC 34a_100000210034_100000070051 [0,1,0,1,0,0|1,0,1]=4 21574 B12R1.121 CCC1CCCCC1NCCF 269862a_100000724931_100000757040 [0,1,0,1,0,0|1,0,1]=4 21575 B12R1.121 CCC1CCCCC1NCCO 269862a_100000210304_100000757040 [0,1,0,1,0,0|0,0,2]=4 21576 B12R1.121 CCC1CCCCC1NCCO 270004a_100000210304_100000757040 [0,1,0,1,0,0|0,0,2]=4 21577 B12R1.121 CCC1CCCCC1OCC#N 7a_100000210738_100011215382 [0,1,0,1,0,0|1,0,1]=4 21578 B12R1.121 CCC1CCCCC1OCC=O 34a_100000210738_200009817547 [0,1,0,1,0,0|0,0,0]=2 21579 B12R1.121 CCC1CCCCC1OCC=O 7a_100000210738_200015260668 [0,1,0,1,0,0|0,0,0]=2 21580 B12R1.121 CCC1CCCCC1OCCF 34a_100000210738_100011217306 [0,1,0,1,0,0|1,0,1]=4 21581 B12R1.121 CCC1CCCCC1OCCF 7a_100000210738_100011217306 [0,1,0,1,0,0|1,0,1]=4 21582 B12R1.121 CCC1CCCCC1OCCO 34a_100000210738_100000211926 [0,1,0,1,0,0|0,0,2]=4 21583 B12R1.121 CCC1CCCCC1OCCO 7a_100000210738_100000211926 [0,1,0,1,0,0|0,0,2]=4 21584 B12R1.121 CCC1CCCCC1OCSC 34a_100000210738_100011218213 [0,1,0,1,0,0|2,0,0]=4 21585 B12R1.121 CCC1CCCCN1CCC#N 2230a_100000210034_100011215226 [0,1,0,1,0,0|1,0,1]=4 21586 B12R1.121 CCC1CCCCN1CCC#N 269982a_100000210034_100011215226 [0,1,0,1,0,0|1,0,1]=4 21587 B12R1.121 CCC1CCCCN1CCCF 2230a_100000210034_100011934791 [0,1,0,1,0,0|1,0,1]=4 21588 B12R1.121 CCC1CCCCN1CCCF 269982a_100000210034_100011934791 [0,1,0,1,0,0|1,0,1]=4 21589 B12R1.121 CCC1CCCCN1CCCF 34a_100000210034_100011934791 [0,1,0,1,0,0|1,0,1]=4 21590 B12R1.121 CCC1CCCCN1CCCO 2230a_100000210034_100000230001 [0,1,0,1,0,0|0,0,2]=4 21591 B12R1.121 CCC1CCCCN1CCCO 269982a_100000210034_100011215043 [0,1,0,1,0,0|0,0,2]=4 21592 B12R1.121 CCC1CCCCN1CCCO 34a_100000210034_100000230001 [0,1,0,1,0,0|0,0,2]=4 21593 B12R1.121 CCC1CCCCN1CCNC 2230a_100000755458_200000210301 [0,1,0,1,0,0|2,0,0]=4 21594 B12R1.121 CCC1CCCCN1CCNC 34a_100000755458_200000210301 [0,1,0,1,0,0|2,0,0]=4 21595 B12R1.121 CCC1CCCCN1CCN[13CH3] 2230a_100000755458_200025704644 [0,1,0,1,0,0|2,0,0]=4 21596 B12R1.121 CCC1CCCCN1CCN[13CH3] 34a_100000755458_200025704644 [0,1,0,1,0,0|2,0,0]=4 21597 B12R1.121 CCC1CCCCN1CCOC 2230a_100000210034_100011201679 [0,1,0,1,0,0|2,0,0]=4 21598 B12R1.121 CCC1CCCCN1CCOC 269982a_100000210034_100000233755 [0,1,0,1,0,0|2,0,0]=4 21599 B12R1.121 CCC1CCCCN1CCOC 34a_100000210034_100011201679 [0,1,0,1,0,0|2,0,0]=4 21600 B12R1.121 CCC1CCCCN1CCSC 2230a_100000210034_100000751147 [0,1,0,1,0,0|2,0,0]=4 21601 B12R1.121 CCC1CCCCN1CCSC 269982a_100000210034_100000212216 [0,1,0,1,0,0|2,0,0]=4 21602 B12R1.121 CCC1CCCCN1CCSC 34a_100000210034_100000212216 [0,1,0,1,0,0|2,0,0]=4 21603 B12R1.121 CCCCN1CCCCC1C#N 34a_100016989756_100000210210 [0,1,0,1,0,0|1,0,1]=4 21604 B12R1.121 CCCCN1CCCCC1CC 2230a_100000210034_100000210211 [0,1,0,1,0,0|1,0,1]=4 21605 B12R1.121 CCCCN1CCCCC1CC 269982a_100000210034_100000210211 [0,1,0,1,0,0|1,0,1]=4 21606 B12R1.121 CCCCN1CCCCC1CC 34a_100000210034_100000210210 [0,1,0,1,0,0|1,0,1]=4 21607 B12R1.121 CCCCN1CCCCC1CO 2230a_100000210821_100000210211 [0,1,0,1,0,0|0,0,2]=4 21608 B12R1.121 CCCCN1CCCCC1CO 269982a_100000210821_100000210211 [0,1,0,1,0,0|0,0,2]=4 21609 B12R1.121 CCCCN1CCCCC1CO 34a_100000210821_100000210210 [0,1,0,1,0,0|0,0,2]=4 21610 B12R1.121 CCCNC1CCCCC1CC 269862a_100020643023_100000757040 [0,1,0,1,0,0|1,0,1]=4 21611 B12R1.121 CCCNC1CCCCC1CC 270004a_100020643023_100000757040 [0,1,0,1,0,0|1,0,1]=4 21612 B12R1.121 CCCNC1CCCCC1CO 270004a_100020643023_100009861125 [0,1,0,1,0,0|0,0,2]=4 21613 B12R1.121 CCCNC1CCCCC1OC 270004a_100020643023_100000740605 [0,1,0,1,0,0|2,0,0]=4 21614 B12R1.121 CCCNC1CCCCC1OC 34a_100011208099_100000210303 [0,1,0,1,0,0|2,0,0]=4 21615 B12R1.121 CCCOC1CCCCC1CC 34a_100000210738_100000210303 [0,1,0,1,0,0|1,0,1]=4 21616 B12R1.121 CCCOC1CCCCC1CC 7a_100000210738_100000210303 [0,1,0,1,0,0|1,0,1]=4 21617 B12R1.121 CCCOC1CCCCC1CN 34a_100011216029_100000210303 [0,1,0,1,0,0|1,0,1]=4 21618 B12R1.121 CCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210303 [0,1,0,1,0,0|2,0,0]=4 21619 B12R1.121 CCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210303 [0,1,0,1,0,0|2,0,0]=4 21620 B12R1.121 CCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210303 [0,1,0,1,0,0|2,0,0]=4 21621 B12R1.121 CCN1CCCCC1CCCO 2230a_100011934581_100000210202 [0,1,0,1,0,0|0,0,2]=4 21622 B12R1.121 CCN1CCCCC1CCCO 269982a_100011934581_100000204670 [0,1,0,1,0,0|0,0,2]=4 21623 B12R1.121 CCN1CCCCC1CCCO 34a_100011934581_100000210202 [0,1,0,1,0,0|0,0,2]=4 21624 B12R1.121 CCN1CCCCC1CCOC 2230a_100015186528_100000210202 [0,1,0,1,0,0|2,0,0]=4 21625 B12R1.121 CCN1CCCCC1CCOC 269982a_100015186528_100000204670 [0,1,0,1,0,0|2,0,0]=4 21626 B12R1.121 CCN1CCCCC1CCOC 34a_100015186528_100000210202 [0,1,0,1,0,0|2,0,0]=4 21627 B12R1.121 CNC1CCCCC1CCC#N 270004a_106832991635_100000034616 [0,1,0,1,0,0|1,0,1]=4 21628 B12R1.121 CN[C@@H]1CCCC[C@H]1OCC=O 34a_100000708425_200009817547 [0,1,0,1,0,0|1,0,0]=3 21629 B12R1.121 COC1CCCCC1NCC=O 34a_100011208099_200009817547 [0,1,0,1,0,0|1,0,0]=3 21630 B12R1.121 CO[C@H]1CCCC[C@@H]1OCC=O 34a_200009815850_200009817547 [0,1,0,1,0,0|1,0,0]=3 21631 B12R1.121 CO[C@H]1CCCC[C@@H]1OCC=O 7a_200009815850_200015260668 [0,1,0,1,0,0|1,0,0]=3 21632 B12R1.121 NCC1CCCCC1OCC=O 34a_100011216029_200009817547 [0,1,0,1,0,0|1,0,0]=3 21633 B12R1.121 O=CCNC1CCOCC1CO 2230a_214813039666_200015260668 [0,1,0,1,0,0|2,0,0]=4 21634 B12R1.121 O=CCNC1CCOCC1CO 34a_214813039666_200009817547 [0,1,0,1,0,0|2,0,0]=4 21635 B12R1.169 C#CCN1CCCCC1CCC 2230a_100000701414_100000038162 [0,1,0,1,0,0|1,0,1]=4 21636 B12R1.169 C#CCN1CCCCC1CCC 34a_100000701414_100000184674 [0,1,0,1,0,0|1,0,1]=4 21637 B12R1.169 C=CCC1CCCCC1NCC 269862a_100015525214_100011214939 [0,1,0,1,0,0|1,0,0]=3 21638 B12R1.169 C=CCC1CCCCC1NCC 270004a_100015525214_100011214939 [0,1,0,1,0,0|1,0,0]=3 21639 B12R1.169 C=CCN1CCCCC1CCC 2230a_100000701414_100000210623 [0,1,0,1,0,0|1,0,0]=3 21640 B12R1.169 C=CCN1CCCCC1CCC 269982a_100000701414_100000210623 [0,1,0,1,0,0|1,0,0]=3 21641 B12R1.169 C=CCN1CCCCC1CCC 34a_100000701414_100015514636 [0,1,0,1,0,0|1,0,0]=3 21642 B12R1.169 C=CCN1CCCCC1CCO 2230a_100000211664_100000210623 [0,1,0,1,0,0|2,0,0]=4 21643 B12R1.169 C=CCN1CCCCC1CCO 269982a_100000211664_100000210623 [0,1,0,1,0,0|2,0,0]=4 21644 B12R1.169 C=CCN1CCCCC1CCO 34a_100000211664_100015514636 [0,1,0,1,0,0|2,0,0]=4 21645 B12R1.169 C=CCN1CCCCC1COC 2230a_100015184032_100000210623 [0,1,0,1,0,0|2,0,0]=4 21646 B12R1.169 C=CCN1CCCCC1COC 269982a_100015184032_100000210623 [0,1,0,1,0,0|2,0,0]=4 21647 B12R1.169 C=CCN1CCCCC1COC 34a_100015184032_100015514636 [0,1,0,1,0,0|2,0,0]=4 21648 B12R1.169 C=CCN1CCOCC1CCC 2230a_102495339903_100000210623 [0,1,0,1,0,0|2,0,0]=4 21649 B12R1.169 C=CCN1CCOCC1CCC 269982a_102495339903_100000210623 [0,1,0,1,0,0|2,0,0]=4 21650 B12R1.169 C=CCN1CCOCC1CCC 34a_102495339903_100015514636 [0,1,0,1,0,0|2,0,0]=4 21651 B12R1.169 CCCC1CCCCC1NCC 269862a_100015525214_100011218038 [0,1,0,1,0,0|1,0,1]=4 21652 B12R1.169 CCCC1CCCCC1NCC 270004a_100015525214_100011218038 [0,1,0,1,0,0|1,0,1]=4 21653 B12R1.169 CCCC1CCCCC1OCC 34a_100011217265_100000210202 [0,1,0,1,0,0|1,0,1]=4 21654 B12R1.169 CCCC1CCCCC1OCC 7a_100011217265_100000210202 [0,1,0,1,0,0|1,0,1]=4 21655 B12R1.169 CCCC1CCCCC1OCF 34a_100011217265_100015361967 [0,1,0,1,0,0|1,0,1]=4 21656 B12R1.169 CCCC1CCCCC1OCF 7a_100011217265_100015361967 [0,1,0,1,0,0|1,0,1]=4 21657 B12R1.169 CCCC1CCCCN1CC#N 2230a_100000701414_100011215382 [0,1,0,1,0,0|1,0,1]=4 21658 B12R1.169 CCCC1CCCCN1CC#N 269982a_100000701414_100011214920 [0,1,0,1,0,0|1,0,1]=4 21659 B12R1.169 CCCC1CCCCN1CC=O 2230a_100000701414_200015260668 [0,1,0,1,0,0|0,0,0]=2 21660 B12R1.169 CCCC1CCCCN1CC=O 269982a_100000701414_200015260668 [0,1,0,1,0,0|0,0,0]=2 21661 B12R1.169 CCCC1CCCCN1CC=O 34a_100000701414_200009817547 [0,1,0,1,0,0|0,0,0]=2 21662 B12R1.169 CCCC1CCCCN1CCC 2230a_100000701414_100000210303 [0,1,0,1,0,0|1,0,1]=4 21663 B12R1.169 CCCC1CCCCN1CCC 269982a_100000701414_100000210303 [0,1,0,1,0,0|1,0,1]=4 21664 B12R1.169 CCCC1CCCCN1CCC 34a_100000701414_100000210303 [0,1,0,1,0,0|1,0,1]=4 21665 B12R1.169 CCCC1CCCCN1CCF 2230a_100000701414_100011217306 [0,1,0,1,0,0|1,0,1]=4 21666 B12R1.169 CCCC1CCCCN1CCF 269982a_100000701414_100011217306 [0,1,0,1,0,0|1,0,1]=4 21667 B12R1.169 CCCC1CCCCN1CCF 34a_100000701414_100011217306 [0,1,0,1,0,0|1,0,1]=4 21668 B12R1.169 CCCC1CCCCN1CCO 2230a_100000701414_100000211926 [0,1,0,1,0,0|0,0,2]=4 21669 B12R1.169 CCCC1CCCCN1CCO 269982a_100000701414_100000211926 [0,1,0,1,0,0|0,0,2]=4 21670 B12R1.169 CCCC1CCCCN1CCO 34a_100000701414_100000211926 [0,1,0,1,0,0|0,0,2]=4 21671 B12R1.169 CCCC1CCCCN1COC 2230a_100000701414_100000766300 [0,1,0,1,0,0|2,0,0]=4 21672 B12R1.169 CCCC1CCCCN1COC 269982a_100000701414_100000766300 [0,1,0,1,0,0|2,0,0]=4 21673 B12R1.169 CCCC1CCCCN1CSC 2230a_100000701414_100011218213 [0,1,0,1,0,0|2,0,0]=4 21674 B12R1.169 CCCC1CCCCN1CSC 269982a_100000701414_100011218213 [0,1,0,1,0,0|2,0,0]=4 21675 B12R1.169 CCCC1CCCCN1CSC 34a_100000701414_100011218213 [0,1,0,1,0,0|2,0,0]=4 21676 B12R1.169 CCCC1COCCN1CC=O 2230a_102495339903_200015260668 [0,1,0,1,0,0|1,0,0]=3 21677 B12R1.169 CCCC1COCCN1CC=O 269982a_102495339903_200015260668 [0,1,0,1,0,0|1,0,0]=3 21678 B12R1.169 CCCC1COCCN1CC=O 34a_102495339903_200009817547 [0,1,0,1,0,0|1,0,0]=3 21679 B12R1.169 CCCN1CCCCC1CC#N 2230a_100000133382_100000210303 [0,1,0,1,0,0|1,0,1]=4 21680 B12R1.169 CCCN1CCCCC1CC#N 34a_100000133382_100000210303 [0,1,0,1,0,0|1,0,1]=4 21681 B12R1.169 CCCN1CCCCC1CCO 2230a_100000211664_100000210303 [0,1,0,1,0,0|0,0,2]=4 21682 B12R1.169 CCCN1CCCCC1CCO 269982a_100000211664_100000210303 [0,1,0,1,0,0|0,0,2]=4 21683 B12R1.169 CCCN1CCCCC1CCO 34a_100000211664_100000210303 [0,1,0,1,0,0|0,0,2]=4 21684 B12R1.169 CCCN1CCCCC1COC 2230a_100015184032_100000210303 [0,1,0,1,0,0|2,0,0]=4 21685 B12R1.169 CCCN1CCCCC1COC 269982a_100015184032_100000210303 [0,1,0,1,0,0|2,0,0]=4 21686 B12R1.169 CCCN1CCCCC1COC 34a_100015184032_100000210303 [0,1,0,1,0,0|2,0,0]=4 21687 B12R1.169 CCNC1CCCCC1CC#N 270004a_100015525214_100009866218 [0,1,0,1,0,0|1,0,1]=4 21688 B12R1.169 COCC1CCCCN1CC=O 2230a_100015184032_200015260668 [0,1,0,1,0,0|1,0,0]=3 21689 B12R1.169 COCC1CCCCN1CC=O 269982a_100015184032_200015260668 [0,1,0,1,0,0|1,0,0]=3 21690 B12R1.169 COCC1CCCCN1CC=O 34a_100015184032_200009817547 [0,1,0,1,0,0|1,0,0]=3 21691 B12R1.169 COC[C@H]1COCCN1CC=O 2230a_100016989928_200015260668 [0,1,0,1,0,0|2,0,0]=4 21692 B12R1.169 COC[C@H]1COCCN1CC=O 269982a_100016989928_200015260668 [0,1,0,1,0,0|2,0,0]=4 21693 B12R1.169 COC[C@H]1COCCN1CC=O 34a_100016989928_200009817547 [0,1,0,1,0,0|2,0,0]=4 21694 B12R1.169 N#CCC1CCCCN1CC=O 2230a_100000133382_200015260668 [0,1,0,1,0,0|1,0,1]=4 21695 B12R1.169 N#CCC1CCCCN1CC=O 34a_100000133382_200009817547 [0,1,0,1,0,0|1,0,1]=4 21696 B12R1.169 O=CCN1CCCCC1CCO 2230a_100000211664_200015260668 [0,1,0,1,0,0|1,0,0]=3 21697 B12R1.169 O=CCN1CCCCC1CCO 269982a_100000211664_200015260668 [0,1,0,1,0,0|1,0,0]=3 21698 B12R1.169 O=CCN1CCCCC1CCO 34a_100000211664_200009817547 [0,1,0,1,0,0|1,0,0]=3 21699 B12R1.173 C#CCN1CCCCCCCC1 2230a_100000039187_100000038162 [0,1,0,1,0,0|1,0,1]=4 21700 B12R1.173 C#CCN1CCCCCCCC1 34a_100000039187_100000184674 [0,1,0,1,0,0|1,0,1]=4 21701 B12R1.173 C=CCN1CCCCCCCC1 2230a_100000039187_100000210623 [0,1,0,1,0,0|1,0,0]=3 21702 B12R1.173 C=CCN1CCCCCCCC1 269982a_100000039187_100000210623 [0,1,0,1,0,0|1,0,0]=3 21703 B12R1.173 C=CCN1CCCCCCCC1 34a_100000039187_100015514636 [0,1,0,1,0,0|1,0,0]=3 21704 B12R1.173 CCCN1CCCCCCCC1 2230a_100000039187_100000210303 [0,1,0,1,0,0|1,0,1]=4 21705 B12R1.173 CCCN1CCCCCCCC1 269982a_100000039187_100000210303 [0,1,0,1,0,0|1,0,1]=4 21706 B12R1.173 CCCN1CCCCCCCC1 34a_100000039187_100000210303 [0,1,0,1,0,0|1,0,1]=4 21707 B12R1.173 CCNC1CCCCCCCC1 270004a_100015525214_100000038600 [0,1,0,1,0,0|1,0,1]=4 21708 B12R1.173 COCN1CCCCCCCC1 2230a_100000039187_100000766300 [0,1,0,1,0,0|2,0,0]=4 21709 B12R1.173 COCN1CCCCCCCC1 269982a_100000039187_100000766300 [0,1,0,1,0,0|2,0,0]=4 21710 B12R1.173 CSCN1CCCCCCCC1 2230a_100000039187_100011218213 [0,1,0,1,0,0|2,0,0]=4 21711 B12R1.173 CSCN1CCCCCCCC1 269982a_100000039187_100011218213 [0,1,0,1,0,0|2,0,0]=4 21712 B12R1.173 CSCN1CCCCCCCC1 34a_100000039187_100011218213 [0,1,0,1,0,0|2,0,0]=4 21713 B12R1.173 FCCN1CCCCCCCC1 2230a_100000039187_100011217306 [0,1,0,1,0,0|1,0,1]=4 21714 B12R1.173 FCCN1CCCCCCCC1 269982a_100000039187_100011217306 [0,1,0,1,0,0|1,0,1]=4 21715 B12R1.173 FCCN1CCCCCCCC1 34a_100000039187_100011217306 [0,1,0,1,0,0|1,0,1]=4 21716 B12R1.173 N#CCN1CCCCCCCC1 2230a_100000039187_100011215382 [0,1,0,1,0,0|1,0,1]=4 21717 B12R1.173 N#CCN1CCCCCCCC1 269982a_100000039187_100011214920 [0,1,0,1,0,0|1,0,1]=4 21718 B12R1.173 O=CCN1CCCCCCCC1 2230a_100000039187_200015260668 [0,1,0,1,0,0|0,0,0]=2 21719 B12R1.173 O=CCN1CCCCCCCC1 269982a_100000039187_200015260668 [0,1,0,1,0,0|0,0,0]=2 21720 B12R1.173 O=CCN1CCCCCCCC1 34a_100000039187_200009817547 [0,1,0,1,0,0|0,0,0]=2 21721 B12R1.173 OCCN1CCCCCCCC1 2230a_100000039187_100000211926 [0,1,0,1,0,0|0,0,2]=4 21722 B12R1.173 OCCN1CCCCCCCC1 269982a_100000039187_100000211926 [0,1,0,1,0,0|0,0,2]=4 21723 B12R1.173 OCCN1CCCCCCCC1 34a_100000039187_100000211926 [0,1,0,1,0,0|0,0,2]=4 21724 B12R1.267 C#CCCCN1CCCCC1C 2230a_100000211376_100000731252 [0,1,0,1,0,0|1,0,1]=4 21725 B12R1.267 C#CCCCN1CCCCC1C 269982a_100000211376_100011215417 [0,1,0,1,0,0|1,0,1]=4 21726 B12R1.267 C#CCCCN1CCCCC1C 34a_100000211376_100000695029 [0,1,0,1,0,0|1,0,1]=4 21727 B12R1.267 C#CCCNC1CCCCC1=O 34a_100000755551_100000754470 [0,1,0,1,0,0|0,0,2]=4 21728 B12R1.267 C#CCCNC1CCCCC1C 2230a_100000211402_100000688953 [0,1,0,1,0,0|1,0,1]=4 21729 B12R1.267 C#CCCNC1CCCCC1C 34a_100000211402_100000688953 [0,1,0,1,0,0|1,0,1]=4 21730 B12R1.267 C#CCCOC1CCCCC1=O 34a_100011214950_100000688953 [0,1,0,1,0,0|0,0,2]=4 21731 B12R1.267 C#CCCOC1CCCCC1=O 34a_100011215631_100000754470 [0,1,0,1,0,0|0,0,2]=4 21732 B12R1.267 C#CCCOC1CCCCC1C 34a_100000211207_100000688953 [0,1,0,1,0,0|1,0,1]=4 21733 B12R1.267 C#CCCOC1CCCCC1C 7a_100000211207_100000688953 [0,1,0,1,0,0|1,0,1]=4 21734 B12R1.267 C#CCCSC1CCCCC1=O 62a_100000204591_100000688953 [0,1,0,1,0,0|0,0,2]=4 21735 B12R1.267 C#CCCSC1CCCCC1=O 62a_100000688953_100000204591 [0,1,0,1,0,0|0,0,2]=4 21736 B12R1.267 C#CCOCC1CCCCC1=O 34a_100009861125_100000184674 [0,1,0,1,0,0|0,0,2]=4 21737 B12R1.267 C#CCOCC1CCCCC1=O 7a_100009861125_100000038162 [0,1,0,1,0,0|0,0,2]=4 21738 B12R1.267 C/C=C/CNC1CCCCC1C 34a_100000211402_100102629194 [0,1,0,1,0,0|1,0,1]=4 21739 B12R1.267 C/C=C/COC1CCCCC1=O 34a_100011214950_100102629194 [0,1,0,1,0,0|0,0,2]=4 21740 B12R1.267 C/C=C/COC1CCCCC1=O 34a_100016270725_100000754470 [0,1,0,1,0,0|0,0,2]=4 21741 B12R1.267 C/C=C/COC1CCCCC1C 34a_100000211207_100102629194 [0,1,0,1,0,0|1,0,1]=4 21742 B12R1.267 C/C=C/COC1CCCCC1C 7a_100000211207_100102629194 [0,1,0,1,0,0|1,0,1]=4 21743 B12R1.267 C/C=C/CSC1CCCCC1=O 62a_100000204591_100102629194 [0,1,0,1,0,0|0,0,2]=4 21744 B12R1.267 C/C=C/CSC1CCCCC1=O 62a_100102629194_100000204591 [0,1,0,1,0,0|0,0,2]=4 21745 B12R1.267 C=CCCCN1CCCCC1C 2230a_100000211376_100011713584 [0,1,0,1,0,0|1,0,0]=3 21746 B12R1.267 C=CCCCN1CCCCC1C 269982a_100000211376_100000757094 [0,1,0,1,0,0|1,0,0]=3 21747 B12R1.267 C=CCCCN1CCCCC1C 34a_100000211376_100000757094 [0,1,0,1,0,0|1,0,0]=3 21748 B12R1.267 C=CCCCN1CCOC[C@@H]1C 2230a_100009815349_100011713584 [0,1,0,1,0,0|2,0,0]=4 21749 B12R1.267 C=CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000757094 [0,1,0,1,0,0|2,0,0]=4 21750 B12R1.267 C=CCCCN1CCOC[C@@H]1C 34a_100009815349_100000757094 [0,1,0,1,0,0|2,0,0]=4 21751 B12R1.267 C=CCCNC1CCCCC1C 2230a_100000211402_100000754431 [0,1,0,1,0,0|1,0,0]=3 21752 B12R1.267 C=CCCNC1CCCCC1C 269862a_100015191253_100000210921 [0,1,0,1,0,0|1,0,0]=3 21753 B12R1.267 C=CCCNC1CCCCC1C 270004a_100015191253_100000210921 [0,1,0,1,0,0|1,0,0]=3 21754 B12R1.267 C=CCCNC1CCCCC1C 34a_100000211402_100000754431 [0,1,0,1,0,0|1,0,0]=3 21755 B12R1.267 C=CCCNC1CCNCC1C 270004a_100015191253_100000703950 [0,1,0,1,0,0|2,0,0]=4 21756 B12R1.267 C=CCCNC1CCOCC1C 270004a_100015191253_100000755695 [0,1,0,1,0,0|2,0,0]=4 21757 B12R1.267 C=CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000754431 [0,1,0,1,0,0|2,0,0]=4 21758 B12R1.267 C=CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000754431 [0,1,0,1,0,0|2,0,0]=4 21759 B12R1.267 C=CCCOC1CCCCC1=O 34a_100011205117_100000754470 [0,1,0,1,0,0|0,0,2]=4 21760 B12R1.267 C=CCCOC1CCCCC1=O 34a_100011214950_100000754431 [0,1,0,1,0,0|0,0,2]=4 21761 B12R1.267 C=CCCOC1CCCCC1C 34a_100000211207_100000754431 [0,1,0,1,0,0|1,0,0]=3 21762 B12R1.267 C=CCCOC1CCCCC1C 7a_100000211207_100000754431 [0,1,0,1,0,0|1,0,0]=3 21763 B12R1.267 C=CCCOC1CCCCC1Cl 34a_100000038908_100000754431 [0,1,0,1,0,0|2,0,0]=4 21764 B12R1.267 C=CCCOC1CCCCC1Cl 7a_100000038908_100000754431 [0,1,0,1,0,0|2,0,0]=4 21765 B12R1.267 C=CCCOC1CCCCC1F 34a_100011205117_100015423560 [0,1,0,1,0,0|2,0,0]=4 21766 B12R1.267 C=CCCOC1CCCCC1O 34a_100011205117_100000038908 [0,1,0,1,0,0|2,0,0]=4 21767 B12R1.267 C=CCCOC1CCNCC1C 34a_100011998114_100000754431 [0,1,0,1,0,0|2,0,0]=4 21768 B12R1.267 C=CCCOC1CNCCC1C 34a_100000696640_100000754431 [0,1,0,1,0,0|2,0,0]=4 21769 B12R1.267 C=CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000754431 [0,1,0,1,0,0|2,0,0]=4 21770 B12R1.267 C=CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000754431 [0,1,0,1,0,0|2,0,0]=4 21771 B12R1.267 C=CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000754431 [0,1,0,1,0,0|2,0,0]=4 21772 B12R1.267 C=CCCSC1CCCCC1=O 62a_100000204591_100000754431 [0,1,0,1,0,0|0,0,2]=4 21773 B12R1.267 C=CCCSC1CCCCC1=O 62a_100000754431_100000204591 [0,1,0,1,0,0|0,0,2]=4 21774 B12R1.267 C=CCCSC1CCCCC1F 62a_100000754431_100015423560 [0,1,0,1,0,0|2,0,0]=4 21775 B12R1.267 C=CCCSC1CCCCC1F 62a_100015423560_100000754431 [0,1,0,1,0,0|2,0,0]=4 21776 B12R1.267 C=CCCSC1CCCCC1O 62a_100000038908_100000754431 [0,1,0,1,0,0|2,0,0]=4 21777 B12R1.267 C=CCCSC1CCCCC1O 62a_100000754431_100000038908 [0,1,0,1,0,0|2,0,0]=4 21778 B12R1.267 C=CCNCC1CCCCC1O 34a_100011216029_100015514636 [0,1,0,1,0,0|2,0,0]=4 21779 B12R1.267 C=CCNCC1CCCCN1C 34a_100011228421_100015514636 [0,1,0,1,0,0|2,0,0]=4 21780 B12R1.267 C=CCOCC1CCCCC1=O 34a_100009861125_100015514636 [0,1,0,1,0,0|0,0,2]=4 21781 B12R1.267 C=CCOCC1CCCCC1=O 7a_100009861125_100015514636 [0,1,0,1,0,0|0,0,2]=4 21782 B12R1.267 C=CCOCC1CCCCN1C 34a_100000225079_100015514636 [0,1,0,1,0,0|2,0,0]=4 21783 B12R1.267 C=CCOCC1CCCCN1C 34a_200000210373_100015186950 [0,1,0,1,0,0|2,0,0]=4 21784 B12R1.267 C=CCSCC1CCCCN1C 62a_100000210623_100015185383 [0,1,0,1,0,0|2,0,0]=4 21785 B12R1.267 C=CCSCC1CCCCN1C 62a_100015185383_100000210623 [0,1,0,1,0,0|2,0,0]=4 21786 B12R1.267 C=COCCN1CCCCC1C 2230a_100000211376_100000039644 [0,1,0,1,0,0|2,0,0]=4 21787 B12R1.267 C=COCCN1CCCCC1C 269982a_100000211376_100000039644 [0,1,0,1,0,0|2,0,0]=4 21788 B12R1.267 C=COCCN1CCCCC1C 34a_100000211376_100000039644 [0,1,0,1,0,0|2,0,0]=4 21789 B12R1.267 CC#CCNC1CCCCC1=O 34a_100000685387_100000754470 [0,1,0,1,0,0|0,0,2]=4 21790 B12R1.267 CC#CCOC1CCCCC1=O 34a_100000761923_100000754470 [0,1,0,1,0,0|0,0,2]=4 21791 B12R1.267 CC#CCOC1CCCCC1=O 34a_100011214950_100000748600 [0,1,0,1,0,0|0,0,2]=4 21792 B12R1.267 CC#CCSC1CCCCC1=O 62a_100000204591_100000748600 [0,1,0,1,0,0|0,0,2]=4 21793 B12R1.267 CC#CCSC1CCCCC1=O 62a_100000748600_100000204591 [0,1,0,1,0,0|0,0,2]=4 21794 B12R1.267 CC1CC=CCC1COCC=O 34a_100000211322_200009817547 [0,1,0,1,0,0|0,0,2]=4 21795 B12R1.267 CC1CCCCC1NCCC#N 2230a_100000211402_100011215226 [0,1,0,1,0,0|1,0,1]=4 21796 B12R1.267 CC1CCCCC1NCCC#N 270004a_100000720768_100000210921 [0,1,0,1,0,0|1,0,1]=4 21797 B12R1.267 CC1CCCCC1NCCCF 2230a_100000211402_100011934791 [0,1,0,1,0,0|1,0,1]=4 21798 B12R1.267 CC1CCCCC1NCCCF 269862a_100015189416_100000210921 [0,1,0,1,0,0|1,0,1]=4 21799 B12R1.267 CC1CCCCC1NCCCF 270004a_100015189416_100000210921 [0,1,0,1,0,0|1,0,1]=4 21800 B12R1.267 CC1CCCCC1NCCCF 34a_100000211402_100011934791 [0,1,0,1,0,0|1,0,1]=4 21801 B12R1.267 CC1CCCCC1NCCCO 2230a_100000211402_100000230001 [0,1,0,1,0,0|0,0,2]=4 21802 B12R1.267 CC1CCCCC1NCCCO 269862a_100000182051_100000210921 [0,1,0,1,0,0|0,0,2]=4 21803 B12R1.267 CC1CCCCC1NCCCO 270004a_100000182051_100000210921 [0,1,0,1,0,0|0,0,2]=4 21804 B12R1.267 CC1CCCCC1NCCCO 34a_100000211402_100000230001 [0,1,0,1,0,0|0,0,2]=4 21805 B12R1.267 CC1CCCCC1OCCC#N 7a_100000211207_100000184422 [0,1,0,1,0,0|1,0,1]=4 21806 B12R1.267 CC1CCCCC1OCCCF 34a_100000211207_100011934791 [0,1,0,1,0,0|1,0,1]=4 21807 B12R1.267 CC1CCCCC1OCCCF 7a_100000211207_100011934791 [0,1,0,1,0,0|1,0,1]=4 21808 B12R1.267 CC1CCCCC1OCCCO 34a_100000211207_100000230001 [0,1,0,1,0,0|0,0,2]=4 21809 B12R1.267 CC1CCCCC1OCCCO 7a_100000211207_100011215043 [0,1,0,1,0,0|0,0,2]=4 21810 B12R1.267 CC1CCCCN1CCCC#N 2230a_100000211376_100000687738 [0,1,0,1,0,0|1,0,1]=4 21811 B12R1.267 CC1CCCCN1CCCC#N 269982a_100000211376_100000687738 [0,1,0,1,0,0|1,0,1]=4 21812 B12R1.267 CC1CCCCN1CCCC=O 2230a_100000211376_200011292268 [0,1,0,1,0,0|0,0,0]=2 21813 B12R1.267 CC1CCCCN1CCCC=O 269982a_100000211376_200011292268 [0,1,0,1,0,0|0,0,0]=2 21814 B12R1.267 CC1CCCCN1CCCCF 2230a_100000211376_100000729493 [0,1,0,1,0,0|1,0,1]=4 21815 B12R1.267 CC1CCCCN1CCCCF 269982a_100000211376_100000729493 [0,1,0,1,0,0|1,0,1]=4 21816 B12R1.267 CC1CCCCN1CCCCF 34a_100000211376_100000729493 [0,1,0,1,0,0|1,0,1]=4 21817 B12R1.267 CC1CCCCN1CCCCO 2230a_100000211376_100000210776 [0,1,0,1,0,0|0,0,2]=4 21818 B12R1.267 CC1CCCCN1CCCCO 269982a_100000211376_100000210776 [0,1,0,1,0,0|0,0,2]=4 21819 B12R1.267 CC1CCCCN1CCCCO 34a_100000211376_100011216708 [0,1,0,1,0,0|0,0,2]=4 21820 B12R1.267 CC1CCCCN1CCCN[13CH3] 34a_100000212276_200025704644 [0,1,0,1,0,0|2,0,0]=4 21821 B12R1.267 CC1CCCCN1CCCO[13CH3] 34a_100000213889_200025704644 [0,1,0,1,0,0|2,0,0]=4 21822 B12R1.267 CC1CCCCN1CCCO[13CH3] 7a_100000213889_200025704644 [0,1,0,1,0,0|2,0,0]=4 21823 B12R1.267 CC=CCNC1CCCCC1C 2230a_100000211402_100000070051 [0,1,0,1,0,0|1,0,1]=4 21824 B12R1.267 CC=CCNC1CCCCC1C 34a_100000211402_100000070051 [0,1,0,1,0,0|1,0,1]=4 21825 B12R1.267 CC=CCOC1CCCCC1=O 34a_100011214950_100000070051 [0,1,0,1,0,0|0,0,2]=4 21826 B12R1.267 CC=CCOC1CCCCC1C 34a_100000211207_100000070051 [0,1,0,1,0,0|1,0,1]=4 21827 B12R1.267 CC=CCOC1CCCCC1C 7a_100000211207_100000070051 [0,1,0,1,0,0|1,0,1]=4 21828 B12R1.267 CC=CCSC1CCCCC1=O 62a_100000070051_100000204591 [0,1,0,1,0,0|0,0,2]=4 21829 B12R1.267 CC=CCSC1CCCCC1=O 62a_100000204591_100000070051 [0,1,0,1,0,0|0,0,2]=4 21830 B12R1.267 CCCCCN1CCCCC1C 2230a_100000211376_100000210326 [0,1,0,1,0,0|1,0,1]=4 21831 B12R1.267 CCCCCN1CCCCC1C 269982a_100000211376_100000210215 [0,1,0,1,0,0|1,0,1]=4 21832 B12R1.267 CCCCCN1CCCCC1C 34a_100000211376_100000718602 [0,1,0,1,0,0|1,0,1]=4 21833 B12R1.267 CCCCNC1CCCCC1=O 7a_106832991798_100000204591 [0,1,0,1,0,0|0,0,0]=2 21834 B12R1.267 CCCCNC1CCCCC1C 2230a_100000211402_100000210211 [0,1,0,1,0,0|1,0,1]=4 21835 B12R1.267 CCCCNC1CCCCC1C 269862a_100000102301_100000210921 [0,1,0,1,0,0|1,0,1]=4 21836 B12R1.267 CCCCNC1CCCCC1C 270004a_100000102301_100000210921 [0,1,0,1,0,0|1,0,1]=4 21837 B12R1.267 CCCCNC1CCCCC1C 34a_100000211402_100000210210 [0,1,0,1,0,0|1,0,1]=4 21838 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000102301_100000687798 [0,1,0,1,0,0|1,0,0]=3 21839 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000747585_100000210211 [0,1,0,1,0,0|1,0,0]=3 21840 B12R1.267 CCCCNC1CCCNC1=O 34a_100000747585_100000210210 [0,1,0,1,0,0|1,0,0]=3 21841 B12R1.267 CCCCNC1CCCNC1=O 7a_106832991798_100000687798 [0,1,0,1,0,0|1,0,0]=3 21842 B12R1.267 CCCCNC1COCCC1=O 7a_106832991798_100012180262 [0,1,0,1,0,0|1,0,0]=3 21843 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210211 [0,1,0,1,0,0|1,0,1]=4 21844 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210210 [0,1,0,1,0,0|1,0,1]=4 21845 B12R1.267 CCCCOC1CCCCC1=O 34a_100000210227_100000754470 [0,1,0,1,0,0|0,0,0]=2 21846 B12R1.267 CCCCOC1CCCCC1=O 34a_100011214950_100000210210 [0,1,0,1,0,0|0,0,0]=2 21847 B12R1.267 CCCCOC1CCCCC1=O 7a_100000210227_100000204591 [0,1,0,1,0,0|0,0,0]=2 21848 B12R1.267 CCCCOC1CCCCC1C 34a_100000211207_100000210210 [0,1,0,1,0,0|1,0,1]=4 21849 B12R1.267 CCCCOC1CCCCC1C 7a_100000211207_100000210211 [0,1,0,1,0,0|1,0,1]=4 21850 B12R1.267 CCCCOC1CCCCC1Cl 34a_100000038908_100000210210 [0,1,0,1,0,0|1,0,1]=4 21851 B12R1.267 CCCCOC1CCCCC1Cl 7a_100000038908_100000210211 [0,1,0,1,0,0|1,0,1]=4 21852 B12R1.267 CCCCOC1CCCCC1F 34a_100000210227_100015423560 [0,1,0,1,0,0|1,0,1]=4 21853 B12R1.267 CCCCOC1CCCCC1O 34a_100000210227_100000038908 [0,1,0,1,0,0|0,0,2]=4 21854 B12R1.267 CCCCOC1CCCNC1=O 34a_100000073722_100000210210 [0,1,0,1,0,0|1,0,0]=3 21855 B12R1.267 CCCCOC1CCCNC1=O 34a_100000210227_100000687798 [0,1,0,1,0,0|1,0,0]=3 21856 B12R1.267 CCCCOC1CCCNC1=O 7a_100000210227_100000687798 [0,1,0,1,0,0|1,0,0]=3 21857 B12R1.267 CCCCOC1COCCC1=O 34a_100000210227_100012180262 [0,1,0,1,0,0|1,0,0]=3 21858 B12R1.267 CCCCOC1COCCC1=O 7a_100000210227_100012180262 [0,1,0,1,0,0|1,0,0]=3 21859 B12R1.267 CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210210 [0,1,0,1,0,0|1,0,1]=4 21860 B12R1.267 CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210211 [0,1,0,1,0,0|1,0,1]=4 21861 B12R1.267 CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210210 [0,1,0,1,0,0|1,0,1]=4 21862 B12R1.267 CCCCSC1CCCCC1=O 62a_100000204591_100000210210 [0,1,0,1,0,0|0,0,0]=2 21863 B12R1.267 CCCCSC1CCCCC1=O 62a_100000210211_100000204591 [0,1,0,1,0,0|0,0,0]=2 21864 B12R1.267 CCCCSC1CCCCC1F 62a_100000210211_100015423560 [0,1,0,1,0,0|1,0,1]=4 21865 B12R1.267 CCCCSC1CCCCC1F 62a_100015423560_100000210210 [0,1,0,1,0,0|1,0,1]=4 21866 B12R1.267 CCCCSC1CCCCC1O 62a_100000038908_100000210210 [0,1,0,1,0,0|0,0,2]=4 21867 B12R1.267 CCCCSC1CCCCC1O 62a_100000210211_100000038908 [0,1,0,1,0,0|0,0,2]=4 21868 B12R1.267 CCCCSC1CCCNC1=O 62a_100000210211_100000687798 [0,1,0,1,0,0|1,0,0]=3 21869 B12R1.267 CCCCSC1CCCNC1=O 62a_100000687798_100000210210 [0,1,0,1,0,0|1,0,0]=3 21870 B12R1.267 CCCCSC1COCCC1=O 62a_100000210211_100012180262 [0,1,0,1,0,0|1,0,0]=3 21871 B12R1.267 CCCCSC1COCCC1=O 62a_100012180262_100000210210 [0,1,0,1,0,0|1,0,0]=3 21872 B12R1.267 CCCNCC1CCCCC1O 34a_100011216029_100000210303 [0,1,0,1,0,0|0,0,2]=4 21873 B12R1.267 CCCNCC1CCCCN1C 34a_100011228421_100000210303 [0,1,0,1,0,0|2,0,0]=4 21874 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [0,1,0,1,0,0|0,0,0]=2 21875 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [0,1,0,1,0,0|0,0,0]=2 21876 B12R1.267 CCCOCC1CCCCN1C 34a_100000210258_100015186950 [0,1,0,1,0,0|2,0,0]=4 21877 B12R1.267 CCCOCC1CCCCN1C 34a_100000225079_100000210303 [0,1,0,1,0,0|2,0,0]=4 21878 B12R1.267 CCCSCC1CCCCN1C 62a_100000210303_100015185383 [0,1,0,1,0,0|2,0,0]=4 21879 B12R1.267 CCCSCC1CCCCN1C 62a_100015185383_100000210303 [0,1,0,1,0,0|2,0,0]=4 21880 B12R1.267 CCNCCC1CCCCN1C 2230a_100015525214_100000211948 [0,1,0,1,0,0|2,0,0]=4 21881 B12R1.267 CCNCCN1CCCCC1=O 2230a_100160573077_100000210202 [0,1,0,1,0,0|1,0,0]=3 21882 B12R1.267 CCNCCN1CCCCC1=O 34a_100160573077_100000210202 [0,1,0,1,0,0|1,0,0]=3 21883 B12R1.267 CCOCCC1CCCCN1C 34a_100121572206_100000211948 [0,1,0,1,0,0|2,0,0]=4 21884 B12R1.267 CCOCCC1NCCNC1=O 34a_100000044719_100000210202 [0,1,0,1,0,0|2,0,0]=4 21885 B12R1.267 CCOCSC1CCCCC1=O 62a_100000204591_100000739092 [0,1,0,1,0,0|1,0,0]=3 21886 B12R1.267 CCOCSC1CCCCC1=O 62a_100000739092_100000204591 [0,1,0,1,0,0|1,0,0]=3 21887 B12R1.267 CCOCSC1CCCNC1=O 62a_100000687798_100000739092 [0,1,0,1,0,0|2,0,0]=4 21888 B12R1.267 CCOCSC1CCCNC1=O 62a_100000739092_100000687798 [0,1,0,1,0,0|2,0,0]=4 21889 B12R1.267 CCOCSC1COCCC1=O 62a_100000739092_100012180262 [0,1,0,1,0,0|2,0,0]=4 21890 B12R1.267 CCOCSC1COCCC1=O 62a_100012180262_100000739092 [0,1,0,1,0,0|2,0,0]=4 21891 B12R1.267 CCSCCC1CCCCN1C 62a_100000210202_100000211948 [0,1,0,1,0,0|2,0,0]=4 21892 B12R1.267 CCSCCC1CCCCN1C 62a_100000211948_100000210202 [0,1,0,1,0,0|2,0,0]=4 21893 B12R1.267 CN1CCCCC1CNCC=O 34a_100011228421_200009817547 [0,1,0,1,0,0|1,0,0]=3 21894 B12R1.267 CN1CCCCC1COCC=O 34a_100000225079_200009817547 [0,1,0,1,0,0|1,0,0]=3 21895 B12R1.267 CN1CCCCC1CSCC=O 62a_100015185383_200015260668 [0,1,0,1,0,0|1,0,0]=3 21896 B12R1.267 CN1CCCCC1CSCC=O 62a_200015260668_100015185383 [0,1,0,1,0,0|1,0,0]=3 21897 B12R1.267 CN1CCOCC1COCC=O 34a_100013547906_200009817547 [0,1,0,1,0,0|2,0,0]=4 21898 B12R1.267 CNCCCN1CCCCC1C 34a_100000212276_200000210301 [0,1,0,1,0,0|2,0,0]=4 21899 B12R1.267 COCCCC1CCCCN1C 2230a_100011804088_200000210301 [0,1,0,1,0,0|2,0,0]=4 21900 B12R1.267 COCCCC1CCCCN1C 269982a_100011804088_200000210301 [0,1,0,1,0,0|2,0,0]=4 21901 B12R1.267 COCCCC1CCCCN1C 34a_100011804088_200000210301 [0,1,0,1,0,0|2,0,0]=4 21902 B12R1.267 COCCCC1CCCCN1[13CH3] 2230a_100011804088_200025704644 [0,1,0,1,0,0|2,0,0]=4 21903 B12R1.267 COCCCC1CCCCN1[13CH3] 269982a_100011804088_200025704644 [0,1,0,1,0,0|2,0,0]=4 21904 B12R1.267 COCCCC1CCCCN1[13CH3] 34a_100011804088_200025704644 [0,1,0,1,0,0|2,0,0]=4 21905 B12R1.267 COCCCN1CCCCC1C 2230a_100000211376_100000740836 [0,1,0,1,0,0|2,0,0]=4 21906 B12R1.267 COCCCN1CCCCC1C 269982a_100000211376_100000740836 [0,1,0,1,0,0|2,0,0]=4 21907 B12R1.267 COCCCN1CCCCC1C 34a_100000211376_100000740836 [0,1,0,1,0,0|2,0,0]=4 21908 B12R1.267 COCCCN1CCCCC1C 34a_100000213889_200000210301 [0,1,0,1,0,0|2,0,0]=4 21909 B12R1.267 COCCCN1CCCCC1C 7a_100000213889_200000210301 [0,1,0,1,0,0|2,0,0]=4 21910 B12R1.267 COCCNC1CCCCC1C 2230a_100000211402_100011201679 [0,1,0,1,0,0|2,0,0]=4 21911 B12R1.267 COCCNC1CCCCC1C 269862a_100000209980_100000210921 [0,1,0,1,0,0|2,0,0]=4 21912 B12R1.267 COCCNC1CCCCC1C 270004a_100000209980_100000210921 [0,1,0,1,0,0|2,0,0]=4 21913 B12R1.267 COCCNC1CCCCC1C 34a_100000211402_100011201679 [0,1,0,1,0,0|2,0,0]=4 21914 B12R1.267 COCCNC1CCCNC1=O 2230a_100000209980_100000687798 [0,1,0,1,0,0|2,0,0]=4 21915 B12R1.267 COCCNC1CCCNC1=O 2230a_100000747585_100011201679 [0,1,0,1,0,0|2,0,0]=4 21916 B12R1.267 COCCNC1CCCNC1=O 34a_100000747585_100011201679 [0,1,0,1,0,0|2,0,0]=4 21917 B12R1.267 COCCOC1CCCCC1=O 34a_100000210237_100000754470 [0,1,0,1,0,0|1,0,0]=3 21918 B12R1.267 COCCOC1CCCCC1=O 34a_100011214950_100011201679 [0,1,0,1,0,0|1,0,0]=3 21919 B12R1.267 COCCOC1CCCCC1C 34a_100000211207_100011201679 [0,1,0,1,0,0|2,0,0]=4 21920 B12R1.267 COCCOC1CCCCC1C 7a_100000211207_100000233755 [0,1,0,1,0,0|2,0,0]=4 21921 B12R1.267 COCCOC1CCCNC1=O 34a_100000073722_100011201679 [0,1,0,1,0,0|2,0,0]=4 21922 B12R1.267 COCCOC1CCCNC1=O 34a_100000210237_100000687798 [0,1,0,1,0,0|2,0,0]=4 21923 B12R1.267 COCCOC1COCCC1=O 34a_100000210237_100012180262 [0,1,0,1,0,0|2,0,0]=4 21924 B12R1.267 COCCSC1CCCCC1=O 62a_100000204591_100000233755 [0,1,0,1,0,0|1,0,0]=3 21925 B12R1.267 COCCSC1CCCCC1=O 62a_100000233755_100000204591 [0,1,0,1,0,0|1,0,0]=3 21926 B12R1.267 COCCSC1CCCNC1=O 62a_100000233755_100000687798 [0,1,0,1,0,0|2,0,0]=4 21927 B12R1.267 COCCSC1CCCNC1=O 62a_100000687798_100000233755 [0,1,0,1,0,0|2,0,0]=4 21928 B12R1.267 COCCSC1COCCC1=O 62a_100000233755_100012180262 [0,1,0,1,0,0|2,0,0]=4 21929 B12R1.267 COCCSC1COCCC1=O 62a_100012180262_100000233755 [0,1,0,1,0,0|2,0,0]=4 21930 B12R1.267 CSCCNC1CCCCC1C 2230a_100000211402_100000751147 [0,1,0,1,0,0|2,0,0]=4 21931 B12R1.267 CSCCNC1CCCCC1C 269862a_100020590264_100000210921 [0,1,0,1,0,0|2,0,0]=4 21932 B12R1.267 CSCCNC1CCCCC1C 270004a_100020590264_100000210921 [0,1,0,1,0,0|2,0,0]=4 21933 B12R1.267 CSCCNC1CCCCC1C 34a_100000211402_100000212216 [0,1,0,1,0,0|2,0,0]=4 21934 B12R1.267 CSCCNC1CCCNC1=O 2230a_100000747585_100000751147 [0,1,0,1,0,0|2,0,0]=4 21935 B12R1.267 CSCCNC1CCCNC1=O 2230a_100020590264_100000687798 [0,1,0,1,0,0|2,0,0]=4 21936 B12R1.267 CSCCNC1CCCNC1=O 34a_100000747585_100000212216 [0,1,0,1,0,0|2,0,0]=4 21937 B12R1.267 CSCCOC1CCCCC1=O 34a_100000230434_100000754470 [0,1,0,1,0,0|1,0,0]=3 21938 B12R1.267 CSCCOC1CCCCC1=O 34a_100011214950_100000212216 [0,1,0,1,0,0|1,0,0]=3 21939 B12R1.267 CSCCOC1CCCCC1=O 7a_100000230434_100000204591 [0,1,0,1,0,0|1,0,0]=3 21940 B12R1.267 CSCCOC1CCCCC1C 34a_100000211207_100000212216 [0,1,0,1,0,0|2,0,0]=4 21941 B12R1.267 CSCCOC1CCCCC1C 7a_100000211207_100000212216 [0,1,0,1,0,0|2,0,0]=4 21942 B12R1.267 CSCCOC1CCCNC1=O 34a_100000073722_100000212216 [0,1,0,1,0,0|2,0,0]=4 21943 B12R1.267 CSCCOC1CCCNC1=O 34a_100000230434_100000687798 [0,1,0,1,0,0|2,0,0]=4 21944 B12R1.267 CSCCOC1CCCNC1=O 7a_100000230434_100000687798 [0,1,0,1,0,0|2,0,0]=4 21945 B12R1.267 CSCCOC1COCCC1=O 34a_100000230434_100012180262 [0,1,0,1,0,0|2,0,0]=4 21946 B12R1.267 CSCCOC1COCCC1=O 7a_100000230434_100012180262 [0,1,0,1,0,0|2,0,0]=4 21947 B12R1.267 CSCCSC1CCCCC1=O 62a_100000204591_100000751147 [0,1,0,1,0,0|1,0,0]=3 21948 B12R1.267 CSCCSC1CCCCC1=O 62a_100000212216_100000204591 [0,1,0,1,0,0|1,0,0]=3 21949 B12R1.267 CSCCSC1CCCNC1=O 62a_100000212216_100000687798 [0,1,0,1,0,0|2,0,0]=4 21950 B12R1.267 CSCCSC1CCCNC1=O 62a_100000687798_100000751147 [0,1,0,1,0,0|2,0,0]=4 21951 B12R1.267 CSCCSC1COCCC1=O 62a_100000212216_100012180262 [0,1,0,1,0,0|2,0,0]=4 21952 B12R1.267 CSCCSC1COCCC1=O 62a_100012180262_100000751147 [0,1,0,1,0,0|2,0,0]=4 21953 B12R1.267 CSCOCC1CCCCC1=O 34a_100009861125_100011218213 [0,1,0,1,0,0|1,0,0]=3 21954 B12R1.267 C[C@H]1COCCN1CCCC=O 2230a_100009815349_200011292268 [0,1,0,1,0,0|1,0,0]=3 21955 B12R1.267 C[C@H]1COCCN1CCCC=O 269982a_100009815349_200011292268 [0,1,0,1,0,0|1,0,0]=3 21956 B12R1.267 N#CCCSC1CCCCC1=O 62a_100000204591_100011215226 [0,1,0,1,0,0|1,0,1]=4 21957 B12R1.267 N#CCCSC1CCCCC1=O 62a_100011215226_100000204591 [0,1,0,1,0,0|1,0,1]=4 21958 B12R1.267 N#CCOCC1CCCCC1=O 7a_100009861125_100011215382 [0,1,0,1,0,0|1,0,1]=4 21959 B12R1.267 NC1CCOCC1COCC=O 34a_214813039666_200009817547 [0,1,0,1,0,0|2,0,0]=4 21960 B12R1.267 NCCCOC1CCCCC1=O 34a_100000182051_100000754470 [0,1,0,1,0,0|1,0,0]=3 21961 B12R1.267 NCCCOC1CCCNC1=O 34a_100000182051_100000687798 [0,1,0,1,0,0|2,0,0]=4 21962 B12R1.267 NCCCOC1COCCC1=O 34a_100000182051_100012180262 [0,1,0,1,0,0|2,0,0]=4 21963 B12R1.267 NOCCOC1CCCCC1=O 34a_100000700252_100000754470 [0,1,0,1,0,0|2,0,0]=4 21964 B12R1.267 O=C1CCCCC1COCCF 34a_100009861125_100011217306 [0,1,0,1,0,0|1,0,0]=3 21965 B12R1.267 O=C1CCCCC1COCCF 7a_100009861125_100011217306 [0,1,0,1,0,0|1,0,0]=3 21966 B12R1.267 O=C1CCCCC1COCCO 34a_100009861125_100000211926 [0,1,0,1,0,0|1,0,0]=3 21967 B12R1.267 O=C1CCCCC1COCCO 7a_100009861125_100000211926 [0,1,0,1,0,0|1,0,0]=3 21968 B12R1.267 O=C1CCCCC1NCCCF 34a_100015189416_100000754470 [0,1,0,1,0,0|1,0,0]=3 21969 B12R1.267 O=C1CCCCC1OCCCBr 34a_100011217188_100000754470 [0,1,0,1,0,0|1,0,0]=3 21970 B12R1.267 O=C1CCCCC1OCCCCl 34a_100000230001_100000754470 [0,1,0,1,0,0|1,0,0]=3 21971 B12R1.267 O=C1CCCCC1OCCCF 34a_100000759539_100000754470 [0,1,0,1,0,0|1,0,0]=3 21972 B12R1.267 O=C1CCCCC1OCCCF 34a_100011214950_100011934791 [0,1,0,1,0,0|1,0,0]=3 21973 B12R1.267 O=C1CCCCC1OCCCO 34a_100011214950_100000230001 [0,1,0,1,0,0|1,0,0]=3 21974 B12R1.267 O=C1CCCCC1SCCCF 62a_100000204591_100011934791 [0,1,0,1,0,0|1,0,0]=3 21975 B12R1.267 O=C1CCCCC1SCCCF 62a_100011934791_100000204591 [0,1,0,1,0,0|1,0,0]=3 21976 B12R1.267 O=C1CCCCC1SCCCO 62a_100000204591_100011215043 [0,1,0,1,0,0|1,0,0]=3 21977 B12R1.267 O=C1CCCCC1SCCCO 62a_100011215043_100000204591 [0,1,0,1,0,0|1,0,0]=3 21978 B12R1.267 O=C1CCCCN1CCNCF 34a_100160573077_100015361967 [0,1,0,1,0,0|2,0,0]=4 21979 B12R1.267 O=C1CCOCC1NCCCF 34a_100015189416_100012180262 [0,1,0,1,0,0|2,0,0]=4 21980 B12R1.267 O=C1CCOCC1OCCCBr 34a_100011217188_100012180262 [0,1,0,1,0,0|2,0,0]=4 21981 B12R1.267 O=C1CCOCC1OCCCCl 34a_100000230001_100012180262 [0,1,0,1,0,0|2,0,0]=4 21982 B12R1.267 O=C1CCOCC1OCCCF 34a_100000759539_100012180262 [0,1,0,1,0,0|2,0,0]=4 21983 B12R1.267 O=C1CCOCC1SCCCF 62a_100011934791_100012180262 [0,1,0,1,0,0|2,0,0]=4 21984 B12R1.267 O=C1CCOCC1SCCCF 62a_100012180262_100011934791 [0,1,0,1,0,0|2,0,0]=4 21985 B12R1.267 O=C1CCOCC1SCCCO 62a_100011215043_100012180262 [0,1,0,1,0,0|2,0,0]=4 21986 B12R1.267 O=C1CCOCC1SCCCO 62a_100012180262_100011215043 [0,1,0,1,0,0|2,0,0]=4 21987 B12R1.267 O=C1NCCCC1NCCCF 2230a_100000747585_100011934791 [0,1,0,1,0,0|2,0,0]=4 21988 B12R1.267 O=C1NCCCC1NCCCF 2230a_100015189416_100000687798 [0,1,0,1,0,0|2,0,0]=4 21989 B12R1.267 O=C1NCCCC1NCCCF 34a_100000747585_100011934791 [0,1,0,1,0,0|2,0,0]=4 21990 B12R1.267 O=C1NCCCC1NCCCF 34a_100015189416_100000687798 [0,1,0,1,0,0|2,0,0]=4 21991 B12R1.267 O=C1NCCCC1NCCCO 2230a_100000747585_100000230001 [0,1,0,1,0,0|2,0,0]=4 21992 B12R1.267 O=C1NCCCC1NCCCO 34a_100000747585_100000230001 [0,1,0,1,0,0|2,0,0]=4 21993 B12R1.267 O=C1NCCCC1OCCCBr 34a_100011217188_100000687798 [0,1,0,1,0,0|2,0,0]=4 21994 B12R1.267 O=C1NCCCC1OCCCCl 34a_100000230001_100000687798 [0,1,0,1,0,0|2,0,0]=4 21995 B12R1.267 O=C1NCCCC1OCCCF 34a_100000073722_100011934791 [0,1,0,1,0,0|2,0,0]=4 21996 B12R1.267 O=C1NCCCC1OCCCF 34a_100000759539_100000687798 [0,1,0,1,0,0|2,0,0]=4 21997 B12R1.267 O=C1NCCCC1OCCCO 34a_100000073722_100000230001 [0,1,0,1,0,0|2,0,0]=4 21998 B12R1.267 O=C1NCCCC1SCCCF 62a_100000687798_100011934791 [0,1,0,1,0,0|2,0,0]=4 21999 B12R1.267 O=C1NCCCC1SCCCF 62a_100011934791_100000687798 [0,1,0,1,0,0|2,0,0]=4 22000 B12R1.267 O=C1NCCCC1SCCCO 62a_100000687798_100011215043 [0,1,0,1,0,0|2,0,0]=4 22001 B12R1.267 O=C1NCCCC1SCCCO 62a_100011215043_100000687798 [0,1,0,1,0,0|2,0,0]=4 22002 B12R1.267 O=CCNCC1CCCCC1O 34a_100011216029_200009817547 [0,1,0,1,0,0|1,0,0]=3 22003 B12R1.267 O=CCOCC1CCCCC1=O 34a_100009861125_200009817547 [0,1,0,1,0,0|1,0,1]=4 22004 B12R1.267 O=CCOCC1CCCCC1=O 7a_100009861125_200015260668 [0,1,0,1,0,0|1,0,1]=4 22005 B12R1.271 C#CCCCCOCC1CC1C 34a_100000744939_100010269958 [0,1,0,1,0,0|1,0,1]=4 22006 B12R1.271 C#CCCCCOCC1CC1C 7a_100000744939_100010269958 [0,1,0,1,0,0|1,0,1]=4 22007 B12R1.271 C=CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000700193 [0,1,0,1,0,0|2,0,0]=4 22008 B12R1.271 C=CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000700193 [0,1,0,1,0,0|2,0,0]=4 22009 B12R1.271 C=CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000700193 [0,1,0,1,0,0|2,0,0]=4 22010 B12R1.271 C=CCCCCOCC1CC1C 34a_100000744939_100011215482 [0,1,0,1,0,0|1,0,0]=3 22011 B12R1.271 C=CCCCCOCC1CC1C 7a_100000744939_100011215482 [0,1,0,1,0,0|1,0,0]=3 22012 B12R1.271 CC1CC1COCCCCC#N 7a_100000744939_100000211819 [0,1,0,1,0,0|1,0,1]=4 22013 B12R1.271 CC1CC1COCCCCC=O 7a_100000744939_100000139335 [0,1,0,1,0,0|0,0,0]=2 22014 B12R1.271 CC1CC1COCCCCCF 34a_100000744939_100000729378 [0,1,0,1,0,0|1,0,1]=4 22015 B12R1.271 CC1CC1COCCCCCF 7a_100000744939_100000729378 [0,1,0,1,0,0|1,0,1]=4 22016 B12R1.271 CC1CC1COCCCCCO 34a_100000744939_100000746330 [0,1,0,1,0,0|0,0,2]=4 22017 B12R1.271 CC1CC1COCCCCCO 7a_100000744939_100000746330 [0,1,0,1,0,0|0,0,2]=4 22018 B12R1.271 CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210681 [0,1,0,1,0,0|1,0,1]=4 22019 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210681 [0,1,0,1,0,0|1,0,1]=4 22020 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210614 [0,1,0,1,0,0|1,0,1]=4 22021 B12R1.271 CCCCCCOCC1CC1C 34a_100000744939_100000210314 [0,1,0,1,0,0|1,0,1]=4 22022 B12R1.271 CCCCCCOCC1CC1C 7a_100000744939_100000210314 [0,1,0,1,0,0|1,0,1]=4 22023 B12R1.271 COCCCCOCC1CC1C 34a_100000744939_100000755781 [0,1,0,1,0,0|2,0,0]=4 22024 B12R1.271 COCCCCOCC1CC1C 7a_100000744939_100000730899 [0,1,0,1,0,0|2,0,0]=4 22025 B12R1.271 O=CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000139337 [0,1,0,1,0,0|1,0,0]=3 22026 B12R1.271 O=CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000139337 [0,1,0,1,0,0|1,0,0]=3 22027 B12R1.272 BrCCCCCCOC1CCC1 34a_100011215345_100000749161 [0,1,0,1,0,0|1,0,1]=4 22028 B12R1.272 BrCCCCCOCC1CCC1 34a_100000746331_100000763275 [0,1,0,1,0,0|1,0,1]=4 22029 B12R1.272 BrCCCCCOCC1CCC1 7a_100000746331_100000763275 [0,1,0,1,0,0|1,0,1]=4 22030 B12R1.272 C#CCCCCCCN1CCC1 269982a_100000754969_100012276617 [0,1,0,1,0,0|1,0,1]=4 22031 B12R1.272 C#CCCCCCNC1CCC1 2230a_100000749019_100012094781 [0,1,0,1,0,0|1,0,1]=4 22032 B12R1.272 C#CCCCCCNC1CCC1 34a_100000749019_100012094781 [0,1,0,1,0,0|1,0,1]=4 22033 B12R1.272 C#CCCCCCOC1CCC1 34a_100000748187_100012094781 [0,1,0,1,0,0|1,0,1]=4 22034 B12R1.272 C#CCCCCCOC1CCC1 34a_100000766912_100000749161 [0,1,0,1,0,0|1,0,1]=4 22035 B12R1.272 C#CCCCCCSC1CCC1 62a_100012094781_100000749161 [0,1,0,1,0,0|1,0,1]=4 22036 B12R1.272 C#CCCCCNCC1CCC1 2230a_100000706060_100000763275 [0,1,0,1,0,0|1,0,1]=4 22037 B12R1.272 C#CCCCCNCC1CCC1 2230a_100000738700_100010269958 [0,1,0,1,0,0|1,0,1]=4 22038 B12R1.272 C#CCCCCNCC1CCC1 34a_100000706060_100000763275 [0,1,0,1,0,0|1,0,1]=4 22039 B12R1.272 C#CCCCCNCC1CCC1 34a_100000738700_100010269958 [0,1,0,1,0,0|1,0,1]=4 22040 B12R1.272 C#CCCCCOCC1CCC1 34a_100000760304_100010269958 [0,1,0,1,0,0|1,0,1]=4 22041 B12R1.272 C#CCCCCOCC1CCC1 34a_100000766709_100000763275 [0,1,0,1,0,0|1,0,1]=4 22042 B12R1.272 C#CCCCCOCC1CCC1 7a_100000766709_100000763275 [0,1,0,1,0,0|1,0,1]=4 22043 B12R1.272 C#CCCCCSCC1CCC1 62a_100000763275_100010269958 [0,1,0,1,0,0|1,0,1]=4 22044 B12R1.272 C#CCCCCSCC1CCC1 62a_100010269958_100000763275 [0,1,0,1,0,0|1,0,1]=4 22045 B12R1.272 C=CCCCCCCN1CCC1 269982a_100000754969_100011215473 [0,1,0,1,0,0|1,0,0]=3 22046 B12R1.272 C=CCCCCCNC1CCC1 2230a_100000749019_100000700193 [0,1,0,1,0,0|1,0,0]=3 22047 B12R1.272 C=CCCCCCNC1CCC1 34a_100000749019_100000700193 [0,1,0,1,0,0|1,0,0]=3 22048 B12R1.272 C=CCCCCCNC1COC1 2230a_100016991112_100000700193 [0,1,0,1,0,0|2,0,0]=4 22049 B12R1.272 C=CCCCCCOC1CCC1 34a_100000748187_100000700193 [0,1,0,1,0,0|1,0,0]=3 22050 B12R1.272 C=CCCCCCOC1CCC1 34a_100011216702_100000749161 [0,1,0,1,0,0|1,0,0]=3 22051 B12R1.272 C=CCCCCCOC1COC1 34a_100011216702_100009818527 [0,1,0,1,0,0|2,0,0]=4 22052 B12R1.272 C=CCCCCCOC1COC1 7a_100011216702_100009818527 [0,1,0,1,0,0|2,0,0]=4 22053 B12R1.272 C=CCCCCCOC1CSC1 7a_100000072292_100000700193 [0,1,0,1,0,0|2,0,0]=4 22054 B12R1.272 C=CCCCCCSC1CCC1 62a_100000700193_100000749161 [0,1,0,1,0,0|1,0,0]=3 22055 B12R1.272 C=CCCCCCSC1COC1 62a_100000700193_100009818527 [0,1,0,1,0,0|2,0,0]=4 22056 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000703577_100000763275 [0,1,0,1,0,0|1,0,0]=3 22057 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000738700_100011215482 [0,1,0,1,0,0|1,0,0]=3 22058 B12R1.272 C=CCCCCNCC1CCC1 269862a_100000703577_100000753134 [0,1,0,1,0,0|1,0,0]=3 22059 B12R1.272 C=CCCCCNCC1CCC1 34a_100000703577_100000763275 [0,1,0,1,0,0|1,0,0]=3 22060 B12R1.272 C=CCCCCNCC1CCC1 34a_100000738700_100011215482 [0,1,0,1,0,0|1,0,0]=3 22061 B12R1.272 C=CCCCCNCC1CCO1 2230a_100000703577_100000103362 [0,1,0,1,0,0|2,0,0]=4 22062 B12R1.272 C=CCCCCNCC1CCO1 34a_100000703577_100000103362 [0,1,0,1,0,0|2,0,0]=4 22063 B12R1.272 C=CCCCCNCC1COC1 2230a_100000703577_100010264016 [0,1,0,1,0,0|2,0,0]=4 22064 B12R1.272 C=CCCCCNCC1COC1 2230a_100015281925_100011215482 [0,1,0,1,0,0|2,0,0]=4 22065 B12R1.272 C=CCCCCNCC1COC1 34a_100000703577_100010264016 [0,1,0,1,0,0|2,0,0]=4 22066 B12R1.272 C=CCCCCNCC1COC1 34a_100015281925_100011215482 [0,1,0,1,0,0|2,0,0]=4 22067 B12R1.272 C=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100011215482 [0,1,0,1,0,0|2,0,0]=4 22068 B12R1.272 C=CCCCCNC[C@@H]1CCO1 34a_100020831831_100011215482 [0,1,0,1,0,0|2,0,0]=4 22069 B12R1.272 C=CCCCCOCC1CCC1 34a_100000760304_100011215482 [0,1,0,1,0,0|1,0,0]=3 22070 B12R1.272 C=CCCCCOCC1CCC1 34a_100000766645_100000763275 [0,1,0,1,0,0|1,0,0]=3 22071 B12R1.272 C=CCCCCOCC1CCC1 7a_100000766645_100000763275 [0,1,0,1,0,0|1,0,0]=3 22072 B12R1.272 C=CCCCCOCC1CCO1 34a_100000039022_100011215482 [0,1,0,1,0,0|2,0,0]=4 22073 B12R1.272 C=CCCCCOCC1CCO1 34a_100000766645_100000103362 [0,1,0,1,0,0|2,0,0]=4 22074 B12R1.272 C=CCCCCOCC1CCO1 7a_100000766645_100000103362 [0,1,0,1,0,0|2,0,0]=4 22075 B12R1.272 C=CCCCCOCC1CNC1 34a_100016987283_100011215482 [0,1,0,1,0,0|2,0,0]=4 22076 B12R1.272 C=CCCCCOCC1COC1 34a_100000060846_100011215482 [0,1,0,1,0,0|2,0,0]=4 22077 B12R1.272 C=CCCCCOCC1COC1 34a_100000766645_100010264016 [0,1,0,1,0,0|2,0,0]=4 22078 B12R1.272 C=CCCCCOCC1COC1 7a_100000766645_100010264016 [0,1,0,1,0,0|2,0,0]=4 22079 B12R1.272 C=CCCCCSCC1CCC1 62a_100000763275_100011215482 [0,1,0,1,0,0|1,0,0]=3 22080 B12R1.272 C=CCCCCSCC1CCC1 62a_100011215482_100000763275 [0,1,0,1,0,0|1,0,0]=3 22081 B12R1.272 C=CCCCCSCC1CCO1 62a_100000103362_100011215482 [0,1,0,1,0,0|2,0,0]=4 22082 B12R1.272 C=CCCCCSCC1CCO1 62a_100011215482_100000103362 [0,1,0,1,0,0|2,0,0]=4 22083 B12R1.272 C=CCCCCSCC1COC1 62a_100010264016_100011215482 [0,1,0,1,0,0|2,0,0]=4 22084 B12R1.272 C=CCCCCSCC1COC1 62a_100011215482_100010264016 [0,1,0,1,0,0|2,0,0]=4 22085 B12R1.272 C=CCCCOCCC1COC1 34a_100009855314_100000757094 [0,1,0,1,0,0|2,0,0]=4 22086 B12R1.272 C=CCOCCOCC1CCC1 34a_100000037705_100000763275 [0,1,0,1,0,0|2,0,0]=4 22087 B12R1.272 C=CCOCCOCC1CCC1 7a_100000037705_100000763275 [0,1,0,1,0,0|2,0,0]=4 22088 B12R1.272 C=COCCCCOC1CCC1 34a_100000031558_100000749161 [0,1,0,1,0,0|2,0,0]=4 22089 B12R1.272 C=COCCCNCC1CCC1 2230a_100000210767_100000763275 [0,1,0,1,0,0|2,0,0]=4 22090 B12R1.272 C=COCCCNCC1CCC1 269862a_100000210767_100000753134 [0,1,0,1,0,0|2,0,0]=4 22091 B12R1.272 C=COCCCNCC1CCC1 34a_100000210767_100000763275 [0,1,0,1,0,0|2,0,0]=4 22092 B12R1.272 CC=CCCCOCC1CCC1 34a_100020645299_100000763275 [0,1,0,1,0,0|1,0,1]=4 22093 B12R1.272 CCCCCCCCN1CCC1 269982a_100000754969_100000210759 [0,1,0,1,0,0|1,0,1]=4 22094 B12R1.272 CCCCCCCNC1CCC1 2230a_100000749019_100000210681 [0,1,0,1,0,0|1,0,1]=4 22095 B12R1.272 CCCCCCCNC1CCC1 270004a_100000229938_100000241760 [0,1,0,1,0,0|1,0,1]=4 22096 B12R1.272 CCCCCCCNC1CCC1 34a_100000749019_100000210614 [0,1,0,1,0,0|1,0,1]=4 22097 B12R1.272 CCCCCCCNC1COC1 2230a_100016991112_100000210681 [0,1,0,1,0,0|2,0,0]=4 22098 B12R1.272 CCCCCCCOC1CCC1 34a_100000210272_100000749161 [0,1,0,1,0,0|1,0,1]=4 22099 B12R1.272 CCCCCCCOC1CCC1 34a_100000748187_100000210614 [0,1,0,1,0,0|1,0,1]=4 22100 B12R1.272 CCCCCCCOC1COC1 34a_100000210272_100009818527 [0,1,0,1,0,0|2,0,0]=4 22101 B12R1.272 CCCCCCCOC1COC1 7a_100000210272_100009818527 [0,1,0,1,0,0|2,0,0]=4 22102 B12R1.272 CCCCCCCOC1CSC1 7a_100000072292_100000210614 [0,1,0,1,0,0|2,0,0]=4 22103 B12R1.272 CCCCCCCSC1CCC1 62a_100000210614_100000749161 [0,1,0,1,0,0|1,0,1]=4 22104 B12R1.272 CCCCCCCSC1COC1 62a_100000210614_100009818527 [0,1,0,1,0,0|2,0,0]=4 22105 B12R1.272 CCCCCCNCC1CCC1 2230a_100000210581_100000763275 [0,1,0,1,0,0|1,0,1]=4 22106 B12R1.272 CCCCCCNCC1CCC1 2230a_100000738700_100000210314 [0,1,0,1,0,0|1,0,1]=4 22107 B12R1.272 CCCCCCNCC1CCC1 269862a_100000210581_100000753134 [0,1,0,1,0,0|1,0,1]=4 22108 B12R1.272 CCCCCCNCC1CCC1 34a_100000738700_100000210314 [0,1,0,1,0,0|1,0,1]=4 22109 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [0,1,0,1,0,0|0,0,2]=4 22110 B12R1.272 CCCCCCNCC1COC1 2230a_100000210581_100010264016 [0,1,0,1,0,0|2,0,0]=4 22111 B12R1.272 CCCCCCNCC1COC1 2230a_100015281925_100000210314 [0,1,0,1,0,0|2,0,0]=4 22112 B12R1.272 CCCCCCNCC1COC1 34a_100015281925_100000210314 [0,1,0,1,0,0|2,0,0]=4 22113 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [0,1,0,1,0,0|0,0,2]=4 22114 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [0,1,0,1,0,0|0,0,2]=4 22115 B12R1.272 CCCCCCOCC1CCC1 34a_100000210259_100000763275 [0,1,0,1,0,0|1,0,1]=4 22116 B12R1.272 CCCCCCOCC1CCC1 34a_100000760304_100000210314 [0,1,0,1,0,0|1,0,1]=4 22117 B12R1.272 CCCCCCOCC1CCC1 7a_100000210259_100000763275 [0,1,0,1,0,0|1,0,1]=4 22118 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [0,1,0,1,0,0|0,0,2]=4 22119 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [0,1,0,1,0,0|0,0,2]=4 22120 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [0,1,0,1,0,0|0,0,2]=4 22121 B12R1.272 CCCCCCOCC1CNC1 34a_100016987283_100000210314 [0,1,0,1,0,0|2,0,0]=4 22122 B12R1.272 CCCCCCOCC1COC1 34a_100000060846_100000210314 [0,1,0,1,0,0|2,0,0]=4 22123 B12R1.272 CCCCCCOCC1COC1 34a_100000210259_100010264016 [0,1,0,1,0,0|2,0,0]=4 22124 B12R1.272 CCCCCCOCC1COC1 7a_100000210259_100010264016 [0,1,0,1,0,0|2,0,0]=4 22125 B12R1.272 CCCCCCSCC1CCC1 62a_100000210314_100000763275 [0,1,0,1,0,0|1,0,1]=4 22126 B12R1.272 CCCCCCSCC1CCC1 62a_100000763275_100000210757 [0,1,0,1,0,0|1,0,1]=4 22127 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [0,1,0,1,0,0|0,0,2]=4 22128 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [0,1,0,1,0,0|0,0,2]=4 22129 B12R1.272 CCCCCCSCC1COC1 62a_100000210314_100010264016 [0,1,0,1,0,0|2,0,0]=4 22130 B12R1.272 CCCCCCSCC1COC1 62a_100010264016_100000210757 [0,1,0,1,0,0|2,0,0]=4 22131 B12R1.272 CCCCCOCCC1COC1 34a_100009855314_100000718602 [0,1,0,1,0,0|2,0,0]=4 22132 B12R1.272 CNCCCCCOC1CCC1 34a_100000722520_100000749161 [0,1,0,1,0,0|2,0,0]=4 22133 B12R1.272 COCCCCCCN1CCC1 269982a_100000754969_100011998445 [0,1,0,1,0,0|2,0,0]=4 22134 B12R1.272 COCCCCCNC1CCC1 270004a_100000747528_100000241760 [0,1,0,1,0,0|2,0,0]=4 22135 B12R1.272 COCCCCCNC1CCC1 34a_100000747528_100000749161 [0,1,0,1,0,0|2,0,0]=4 22136 B12R1.272 COCCCCNCC1CCC1 2230a_100000738700_100000730899 [0,1,0,1,0,0|2,0,0]=4 22137 B12R1.272 COCCCCNCC1CCC1 34a_100000738700_100000755781 [0,1,0,1,0,0|2,0,0]=4 22138 B12R1.272 COCCCCOCC1CCC1 34a_100000740925_100000763275 [0,1,0,1,0,0|2,0,0]=4 22139 B12R1.272 COCCCCOCC1CCC1 34a_100000760304_100000755781 [0,1,0,1,0,0|2,0,0]=4 22140 B12R1.272 COCCCCSCC1CCC1 62a_100000730899_100000763275 [0,1,0,1,0,0|2,0,0]=4 22141 B12R1.272 COCCCCSCC1CCC1 62a_100000763275_100000730899 [0,1,0,1,0,0|2,0,0]=4 22142 B12R1.272 CSCCCCOCC1CCC1 34a_100011217163_100000763275 [0,1,0,1,0,0|2,0,0]=4 22143 B12R1.272 CSCCCCOCC1CCC1 7a_100011217163_100000763275 [0,1,0,1,0,0|2,0,0]=4 22144 B12R1.272 ClCCCCCCOC1CCC1 34a_100000766143_100000749161 [0,1,0,1,0,0|1,0,1]=4 22145 B12R1.272 ClCCCCCOCC1CCC1 34a_100000746330_100000763275 [0,1,0,1,0,0|1,0,1]=4 22146 B12R1.272 ClCCCCCOCC1CCC1 7a_100000746330_100000763275 [0,1,0,1,0,0|1,0,1]=4 22147 B12R1.272 FCCCCCCNC1CCC1 2230a_100000749019_100015922095 [0,1,0,1,0,0|1,0,1]=4 22148 B12R1.272 FCCCCCCNC1CCC1 34a_100000749019_100015922095 [0,1,0,1,0,0|1,0,1]=4 22149 B12R1.272 FCCCCCCOC1CCC1 34a_100000732779_100000749161 [0,1,0,1,0,0|1,0,1]=4 22150 B12R1.272 FCCCCCCOC1CCC1 34a_100000748187_100015922095 [0,1,0,1,0,0|1,0,1]=4 22151 B12R1.272 FCCCCCCSC1CCC1 62a_100015922095_100000749161 [0,1,0,1,0,0|1,0,1]=4 22152 B12R1.272 FCCCCCNCC1CCC1 2230a_100000738700_100000729378 [0,1,0,1,0,0|1,0,1]=4 22153 B12R1.272 FCCCCCNCC1CCC1 34a_100000738700_100000729378 [0,1,0,1,0,0|1,0,1]=4 22154 B12R1.272 FCCCCCOCC1CCC1 34a_100000760304_100000729378 [0,1,0,1,0,0|1,0,1]=4 22155 B12R1.272 FCCCCCSCC1CCC1 62a_100000729378_100000763275 [0,1,0,1,0,0|1,0,1]=4 22156 B12R1.272 FCCCCCSCC1CCC1 62a_100000763275_100000729378 [0,1,0,1,0,0|1,0,1]=4 22157 B12R1.272 ICCCCCOCC1CCC1 34a_200012148887_100000763275 [0,1,0,1,0,0|1,0,1]=4 22158 B12R1.272 ICCCCCOCC1CCC1 7a_200012148887_100000763275 [0,1,0,1,0,0|1,0,1]=4 22159 B12R1.272 N#CCCCCCCN1CCC1 269982a_100000754969_100009813337 [0,1,0,1,0,0|1,0,1]=4 22160 B12R1.272 N#CCCCCCNC1CCC1 2230a_100000749019_100009813376 [0,1,0,1,0,0|1,0,1]=4 22161 B12R1.272 N#CCCCCCNC1CCC1 270004a_100000061152_100000241760 [0,1,0,1,0,0|1,0,1]=4 22162 B12R1.272 N#CCCCCCSC1CCC1 62a_100009813376_100000749161 [0,1,0,1,0,0|1,0,1]=4 22163 B12R1.272 N#CCCCCNCC1CCC1 2230a_100000738700_100000211819 [0,1,0,1,0,0|1,0,1]=4 22164 B12R1.272 N#CCCCCSCC1CCC1 62a_100000763275_100000211819 [0,1,0,1,0,0|1,0,1]=4 22165 B12R1.272 N#CCCCCSCC1CCC1 62a_100011219923_100000763275 [0,1,0,1,0,0|1,0,1]=4 22166 B12R1.272 NCCCCCCOC1CCC1 34a_100000686447_100000749161 [0,1,0,1,0,0|1,0,1]=4 22167 B12R1.272 NCCCCCOCC1CCC1 34a_100000762737_100000763275 [0,1,0,1,0,0|1,0,1]=4 22168 B12R1.272 O=CCCCCCNC1CCC1 2230a_100000749019_100000139337 [0,1,0,1,0,0|0,0,0]=2 22169 B12R1.272 O=CCCCCCNC1COC1 2230a_100016991112_100000139337 [0,1,0,1,0,0|1,0,0]=3 22170 B12R1.272 O=CCCCCCOC1CSC1 7a_100000072292_100000139337 [0,1,0,1,0,0|1,0,0]=3 22171 B12R1.272 O=CCCCCCSC1CCC1 62a_100000139337_100000749161 [0,1,0,1,0,0|0,0,0]=2 22172 B12R1.272 O=CCCCCCSC1COC1 62a_100000139337_100009818527 [0,1,0,1,0,0|1,0,0]=3 22173 B12R1.272 O=CCCCCNCC1CCC1 2230a_100000738700_100000139335 [0,1,0,1,0,0|0,0,0]=2 22174 B12R1.272 O=CCCCCNCC1COC1 2230a_100015281925_100000139335 [0,1,0,1,0,0|1,0,0]=3 22175 B12R1.272 O=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139335 [0,1,0,1,0,0|1,0,0]=3 22176 B12R1.272 O=CCCCCSCC1CCC1 62a_100000139335_100000763275 [0,1,0,1,0,0|0,0,0]=2 22177 B12R1.272 O=CCCCCSCC1CCC1 62a_100000763275_100000139335 [0,1,0,1,0,0|0,0,0]=2 22178 B12R1.272 O=CCCCCSCC1CCO1 62a_100000103362_100000139335 [0,1,0,1,0,0|1,0,0]=3 22179 B12R1.272 O=CCCCCSCC1CCO1 62a_100000139335_100000103362 [0,1,0,1,0,0|1,0,0]=3 22180 B12R1.272 O=CCCCCSCC1COC1 62a_100000139335_100010264016 [0,1,0,1,0,0|1,0,0]=3 22181 B12R1.272 O=CCCCCSCC1COC1 62a_100010264016_100000139335 [0,1,0,1,0,0|1,0,0]=3 22182 B12R1.272 OCCCCCCCN1CCC1 269982a_100000754969_100000760002 [0,1,0,1,0,0|0,0,2]=4 22183 B12R1.272 OCCCCCCNC1CCC1 2230a_100000749019_100000766143 [0,1,0,1,0,0|0,0,2]=4 22184 B12R1.272 OCCCCCCNC1CCC1 270004a_100000686447_100000241760 [0,1,0,1,0,0|0,0,2]=4 22185 B12R1.272 OCCCCCCNC1CCC1 34a_100000686447_100000749161 [0,1,0,1,0,0|0,0,2]=4 22186 B12R1.272 OCCCCCCNC1CCC1 34a_100000749019_100000766143 [0,1,0,1,0,0|0,0,2]=4 22187 B12R1.272 OCCCCCCOC1CCC1 34a_100000748187_100000766143 [0,1,0,1,0,0|0,0,2]=4 22188 B12R1.272 OCCCCCCSC1CCC1 62a_100000766143_100000749161 [0,1,0,1,0,0|0,0,2]=4 22189 B12R1.272 OCCCCCNCC1CCC1 2230a_100000738700_100000746330 [0,1,0,1,0,0|0,0,2]=4 22190 B12R1.272 OCCCCCNCC1CCC1 2230a_100000762737_100000763275 [0,1,0,1,0,0|0,0,2]=4 22191 B12R1.272 OCCCCCNCC1CCC1 269862a_100000762737_100000753134 [0,1,0,1,0,0|0,0,2]=4 22192 B12R1.272 OCCCCCNCC1CCC1 34a_100000738700_100000746330 [0,1,0,1,0,0|0,0,2]=4 22193 B12R1.272 OCCCCCNCC1CCC1 34a_100000762737_100000763275 [0,1,0,1,0,0|0,0,2]=4 22194 B12R1.272 OCCCCCOCC1CCC1 34a_100000760304_100000746330 [0,1,0,1,0,0|0,0,2]=4 22195 B12R1.272 OCCCCCSCC1CCC1 62a_100000746330_100000763275 [0,1,0,1,0,0|0,0,2]=4 22196 B12R1.272 OCCCCCSCC1CCC1 62a_100000763275_100000746330 [0,1,0,1,0,0|0,0,2]=4 22197 B12R1.320 C=CCCN1CCC[C@H]1COC 2230a_100020646714_100000754431 [0,1,0,1,0,0|2,0,0]=4 22198 B12R1.320 C=CCCN1CCC[C@H]1COC 269982a_100020646714_100000754431 [0,1,0,1,0,0|2,0,0]=4 22199 B12R1.320 C=CCCN1CCC[C@H]1COC 34a_100020646714_100000754431 [0,1,0,1,0,0|2,0,0]=4 22200 B12R1.320 C=CCNC1CCCC1CCC 270004a_100020586998_100000723119 [0,1,0,1,0,0|1,0,0]=3 22201 B12R1.320 CCCC1CCCC1NCCF 269862a_100000724931_100000723119 [0,1,0,1,0,0|1,0,1]=4 22202 B12R1.320 CCCC1CCCC1NCCO 269862a_100000210304_100000723119 [0,1,0,1,0,0|0,0,2]=4 22203 B12R1.320 CCCC1CCCC1NCCO 270004a_100000210304_100000723119 [0,1,0,1,0,0|0,0,2]=4 22204 B12R1.320 CCCCC1C=CCN1CC=O 2230a_100015184376_200015260668 [0,1,0,1,0,0|0,0,2]=4 22205 B12R1.320 CCCCC1C=CCN1CC=O 269982a_100015184376_200015260668 [0,1,0,1,0,0|0,0,2]=4 22206 B12R1.320 CCCCC1C=CCN1CC=O 34a_100015184376_200009817547 [0,1,0,1,0,0|0,0,2]=4 22207 B12R1.320 CCCCC1CCCC1NCC 269862a_100015525214_100000750825 [0,1,0,1,0,0|1,0,1]=4 22208 B12R1.320 CCCCC1CCCC1NCC 270004a_100015525214_100000750825 [0,1,0,1,0,0|1,0,1]=4 22209 B12R1.320 CCCCN1CCC[C@H]1COC 2230a_100020646714_100000210211 [0,1,0,1,0,0|2,0,0]=4 22210 B12R1.320 CCCCN1CCC[C@H]1COC 269982a_100020646714_100000210211 [0,1,0,1,0,0|2,0,0]=4 22211 B12R1.320 CCCCN1CCC[C@H]1COC 34a_100020646714_100000210210 [0,1,0,1,0,0|2,0,0]=4 22212 B12R1.320 CCCNC1CCCC1CCC 269862a_100020643023_100000723119 [0,1,0,1,0,0|1,0,1]=4 22213 B12R1.320 CCCNC1CCCC1CCC 270004a_100020643023_100000723119 [0,1,0,1,0,0|1,0,1]=4 22214 B12R1.320 CCNC1CCCC1CCC#N 270004a_100015525214_100000073560 [0,1,0,1,0,0|1,0,1]=4 22215 B12R1.329 C#CCCN1CCCCCCC1 2230a_100000211400_100000688953 [0,1,0,1,0,0|1,0,1]=4 22216 B12R1.329 C#CCCN1CCCCCCC1 269982a_100000211400_100000730999 [0,1,0,1,0,0|1,0,1]=4 22217 B12R1.329 C#CCCN1CCCCCCC1 34a_100000211400_100000688953 [0,1,0,1,0,0|1,0,1]=4 22218 B12R1.329 C#CCNC1CCCCCCC1 2230a_100000211152_100000038162 [0,1,0,1,0,0|1,0,1]=4 22219 B12R1.329 C#CCNC1CCCCCCC1 34a_100000211152_100000184674 [0,1,0,1,0,0|1,0,1]=4 22220 B12R1.329 C#CCOC1CCCCCCC1 34a_100000210054_100000184674 [0,1,0,1,0,0|1,0,1]=4 22221 B12R1.329 C#CCOC1CCCCCCC1 7a_100000210054_100000038162 [0,1,0,1,0,0|1,0,1]=4 22222 B12R1.329 C/C=C/CN1CCCCCCC1 269982a_100000211400_100102629194 [0,1,0,1,0,0|1,0,1]=4 22223 B12R1.329 C/C=C/CN1CCCCCCC1 34a_100000211400_100102629194 [0,1,0,1,0,0|1,0,1]=4 22224 B12R1.329 C=CCCN1CCCCCCC1 2230a_100000211400_100000754431 [0,1,0,1,0,0|1,0,0]=3 22225 B12R1.329 C=CCCN1CCCCCCC1 269982a_100000211400_100000754431 [0,1,0,1,0,0|1,0,0]=3 22226 B12R1.329 C=CCCN1CCCCCCC1 34a_100000211400_100000754431 [0,1,0,1,0,0|1,0,0]=3 22227 B12R1.329 C=CCNC1CCCCCCC1 2230a_100000211152_100000210623 [0,1,0,1,0,0|1,0,0]=3 22228 B12R1.329 C=CCNC1CCCCCCC1 270004a_100020586998_100000210524 [0,1,0,1,0,0|1,0,0]=3 22229 B12R1.329 C=CCNC1CCCCCCC1 34a_100000211152_100015514636 [0,1,0,1,0,0|1,0,0]=3 22230 B12R1.329 C=CCOC1CCCCCCC1 34a_100000210054_100015514636 [0,1,0,1,0,0|1,0,0]=3 22231 B12R1.329 C=CCOC1CCCCCCC1 7a_100000210054_100015514636 [0,1,0,1,0,0|1,0,0]=3 22232 B12R1.329 CC=CCN1CCCCCCC1 2230a_100000211400_100000070051 [0,1,0,1,0,0|1,0,1]=4 22233 B12R1.329 CC=CCN1CCCCCCC1 34a_100000211400_100000070051 [0,1,0,1,0,0|1,0,1]=4 22234 B12R1.329 CCCCN1CCCCCCC1 2230a_100000211400_100000210211 [0,1,0,1,0,0|1,0,1]=4 22235 B12R1.329 CCCCN1CCCCCCC1 269982a_100000211400_100000210211 [0,1,0,1,0,0|1,0,1]=4 22236 B12R1.329 CCCCN1CCCCCCC1 34a_100000211400_100000210210 [0,1,0,1,0,0|1,0,1]=4 22237 B12R1.329 CCCNC1CCCCCCC1 2230a_100000211152_100000210303 [0,1,0,1,0,0|1,0,1]=4 22238 B12R1.329 CCCNC1CCCCCCC1 270004a_100020643023_100000210524 [0,1,0,1,0,0|1,0,1]=4 22239 B12R1.329 CCCNC1CCCCCCC1 34a_100000211152_100000210303 [0,1,0,1,0,0|1,0,1]=4 22240 B12R1.329 CCCOC1C=CCCCCC1 34a_100000688657_100000210303 [0,1,0,1,0,0|1,0,0]=3 22241 B12R1.329 CCCOC1CCCCCCC1 34a_100000210054_100000210303 [0,1,0,1,0,0|1,0,1]=4 22242 B12R1.329 CCCOC1CCCCCCC1 7a_100000210054_100000210303 [0,1,0,1,0,0|1,0,1]=4 22243 B12R1.329 CCOCC1CCCCCCC1 34a_100011216312_100000210202 [0,1,0,1,0,0|1,0,1]=4 22244 B12R1.329 CCOCC1CCCCCCC1 7a_100011216312_100000210202 [0,1,0,1,0,0|1,0,1]=4 22245 B12R1.329 CNCCC1CCCCCCC1 2230a_100011532352_200000210301 [0,1,0,1,0,0|1,0,1]=4 22246 B12R1.329 CNCCC1CCCCCCC1 34a_100011532352_200000210301 [0,1,0,1,0,0|1,0,1]=4 22247 B12R1.329 COCCN1CCCCCCC1 2230a_100000211400_100011201679 [0,1,0,1,0,0|2,0,0]=4 22248 B12R1.329 COCCN1CCCCCCC1 269982a_100000211400_100000233755 [0,1,0,1,0,0|2,0,0]=4 22249 B12R1.329 COCCN1CCCCCCC1 34a_100000211400_100011201679 [0,1,0,1,0,0|2,0,0]=4 22250 B12R1.329 COCNC1CCCCCCC1 2230a_100000211152_100000766300 [0,1,0,1,0,0|2,0,0]=4 22251 B12R1.329 CSCCN1CCCCCCC1 2230a_100000211400_100000751147 [0,1,0,1,0,0|2,0,0]=4 22252 B12R1.329 CSCCN1CCCCCCC1 269982a_100000211400_100000212216 [0,1,0,1,0,0|2,0,0]=4 22253 B12R1.329 CSCCN1CCCCCCC1 34a_100000211400_100000212216 [0,1,0,1,0,0|2,0,0]=4 22254 B12R1.329 CSCNC1CCCCCCC1 2230a_100000211152_100011218213 [0,1,0,1,0,0|2,0,0]=4 22255 B12R1.329 CSCNC1CCCCCCC1 34a_100000211152_100011218213 [0,1,0,1,0,0|2,0,0]=4 22256 B12R1.329 CSCOC1C=CCCCCC1 34a_100000688657_100011218213 [0,1,0,1,0,0|2,0,0]=4 22257 B12R1.329 CSCOC1CCCCCCC1 34a_100000210054_100011218213 [0,1,0,1,0,0|2,0,0]=4 22258 B12R1.329 FCCCN1CCCCCCC1 2230a_100000211400_100011934791 [0,1,0,1,0,0|1,0,1]=4 22259 B12R1.329 FCCCN1CCCCCCC1 269982a_100000211400_100011934791 [0,1,0,1,0,0|1,0,1]=4 22260 B12R1.329 FCCCN1CCCCCCC1 34a_100000211400_100011934791 [0,1,0,1,0,0|1,0,1]=4 22261 B12R1.329 FCCNC1CCCCCCC1 2230a_100000211152_100011217306 [0,1,0,1,0,0|1,0,1]=4 22262 B12R1.329 FCCNC1CCCCCCC1 34a_100000211152_100011217306 [0,1,0,1,0,0|1,0,1]=4 22263 B12R1.329 FCCOC1C=CCCCCC1 34a_100000688657_100011217306 [0,1,0,1,0,0|2,0,0]=4 22264 B12R1.329 FCCOC1CCCCCCC1 34a_100000210054_100011217306 [0,1,0,1,0,0|1,0,1]=4 22265 B12R1.329 FCCOC1CCCCCCC1 7a_100000210054_100011217306 [0,1,0,1,0,0|1,0,1]=4 22266 B12R1.329 FCOCC1CCCCCCC1 34a_100011216312_100015361967 [0,1,0,1,0,0|1,0,1]=4 22267 B12R1.329 FCOCC1CCCCCCC1 7a_100011216312_100015361967 [0,1,0,1,0,0|1,0,1]=4 22268 B12R1.329 N#CCCN1CCCCCCC1 2230a_100000211400_100011215226 [0,1,0,1,0,0|1,0,1]=4 22269 B12R1.329 N#CCCN1CCCCCCC1 269982a_100000211400_100011215226 [0,1,0,1,0,0|1,0,1]=4 22270 B12R1.329 N#CCNC1CCCCCCC1 2230a_100000211152_100011215382 [0,1,0,1,0,0|1,0,1]=4 22271 B12R1.329 N#CCOC1CCCCCCC1 7a_100000210054_100011215382 [0,1,0,1,0,0|1,0,1]=4 22272 B12R1.329 O=CCNC1CCCCCCC1 2230a_100000211152_200015260668 [0,1,0,1,0,0|0,0,0]=2 22273 B12R1.329 O=CCNC1CCCCCCC1 34a_100000211152_200009817547 [0,1,0,1,0,0|0,0,0]=2 22274 B12R1.329 O=CCOC1C=CCCCCC1 34a_100000688657_200009817547 [0,1,0,1,0,0|0,0,2]=4 22275 B12R1.329 O=CCOC1CC/C=C\CCC1 34a_100016989180_200009817547 [0,1,0,1,0,0|0,0,2]=4 22276 B12R1.329 O=CCOC1CCCCCCC1 34a_100000210054_200009817547 [0,1,0,1,0,0|0,0,0]=2 22277 B12R1.329 O=CCOC1CCCCCCC1 7a_100000210054_200015260668 [0,1,0,1,0,0|0,0,0]=2 22278 B12R1.329 O=CCSC1CC/C=C\CCC1 62a_100021000466_200015260668 [0,1,0,1,0,0|0,0,2]=4 22279 B12R1.329 O=CCSC1CC/C=C\CCC1 62a_200015260668_100021000466 [0,1,0,1,0,0|0,0,2]=4 22280 B12R1.329 OCCCN1CCCCCCC1 2230a_100000211400_100000230001 [0,1,0,1,0,0|0,0,2]=4 22281 B12R1.329 OCCCN1CCCCCCC1 269982a_100000211400_100011215043 [0,1,0,1,0,0|0,0,2]=4 22282 B12R1.329 OCCCN1CCCCCCC1 34a_100000211400_100000230001 [0,1,0,1,0,0|0,0,2]=4 22283 B12R1.329 OCCNC1CCCCCCC1 2230a_100000211152_100000211926 [0,1,0,1,0,0|0,0,2]=4 22284 B12R1.329 OCCNC1CCCCCCC1 270004a_100000210304_100000210524 [0,1,0,1,0,0|0,0,2]=4 22285 B12R1.329 OCCNC1CCCCCCC1 34a_100000211152_100000211926 [0,1,0,1,0,0|0,0,2]=4 22286 B12R1.329 OCCOC1C=CCCCCC1 34a_100000688657_100000211926 [0,1,0,1,0,0|2,0,0]=4 22287 B12R1.329 OCCOC1CCCCCCC1 34a_100000210054_100000211926 [0,1,0,1,0,0|0,0,2]=4 22288 B12R1.329 OCCOC1CCCCCCC1 7a_100000210054_100000211926 [0,1,0,1,0,0|0,0,2]=4 22289 B12R1.329 [13CH3]NCCC1CCCCCCC1 2230a_100011532352_200025704644 [0,1,0,1,0,0|1,0,1]=4 22290 B12R1.329 [13CH3]NCCC1CCCCCCC1 34a_100011532352_200025704644 [0,1,0,1,0,0|1,0,1]=4 22291 B12R1.372 C#CCCCCN1CCC[C@@H]1C 2230a_100020605311_100010269958 [0,1,0,1,0,0|1,0,1]=4 22292 B12R1.372 C#CCCCCN1CCC[C@@H]1C 269982a_100020605311_100010269958 [0,1,0,1,0,0|1,0,1]=4 22293 B12R1.372 C#CCCCCN1CCC[C@H]1C 2230a_100015189458_100010269958 [0,1,0,1,0,0|1,0,1]=4 22294 B12R1.372 C#CCCCCN1CCC[C@H]1C 269982a_100015189458_100010269958 [0,1,0,1,0,0|1,0,1]=4 22295 B12R1.372 C#CCCCCN1CCC[C@H]1C 34a_100015189458_100010269958 [0,1,0,1,0,0|1,0,1]=4 22296 B12R1.372 C#CCCCNC1CCCC1=O 34a_100000718082_100000709159 [0,1,0,1,0,0|0,0,2]=4 22297 B12R1.372 C#CCCCOC1CCCC1=O 34a_100000215630_100000709159 [0,1,0,1,0,0|0,0,2]=4 22298 B12R1.372 C#CCCCOC1CCCC1=O 34a_200000719330_100000695029 [0,1,0,1,0,0|0,0,2]=4 22299 B12R1.372 C#CCCCOC1CCCC1=O 7a_100000215630_100000211823 [0,1,0,1,0,0|0,0,2]=4 22300 B12R1.372 C#CCCCOC1CCCC1C 34a_100011216460_100000695029 [0,1,0,1,0,0|1,0,1]=4 22301 B12R1.372 C#CCCCOC1CCCC1C 7a_100011216460_100011215417 [0,1,0,1,0,0|1,0,1]=4 22302 B12R1.372 C#CCCCSC1CCCC1=O 62a_100000211823_100011215417 [0,1,0,1,0,0|0,0,2]=4 22303 B12R1.372 C#CCCCSC1CCCC1=O 62a_100011215417_100000211823 [0,1,0,1,0,0|0,0,2]=4 22304 B12R1.372 C/C=C/CCOC1CCCC1=O 34a_100016278192_100000709159 [0,1,0,1,0,0|0,0,2]=4 22305 B12R1.372 C=CCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215482 [0,1,0,1,0,0|1,0,0]=3 22306 B12R1.372 C=CCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215482 [0,1,0,1,0,0|1,0,0]=3 22307 B12R1.372 C=CCCCCN1CCC[C@H]1C 2230a_100015189458_100011215482 [0,1,0,1,0,0|1,0,0]=3 22308 B12R1.372 C=CCCCCN1CCC[C@H]1C 269982a_100015189458_100011215482 [0,1,0,1,0,0|1,0,0]=3 22309 B12R1.372 C=CCCCCN1CCC[C@H]1C 34a_100015189458_100011215482 [0,1,0,1,0,0|1,0,0]=3 22310 B12R1.372 C=CCCCCN1CCSC1C 2230a_200011216479_100011215482 [0,1,0,1,0,0|2,0,0]=4 22311 B12R1.372 C=CCCCCN1CCSC1C 269982a_200011216479_100011215482 [0,1,0,1,0,0|2,0,0]=4 22312 B12R1.372 C=CCCCCN1CCSC1C 34a_200011216479_100011215482 [0,1,0,1,0,0|2,0,0]=4 22313 B12R1.372 C=CCCCNC1CCCC1=O 2230a_100000700776_100000211823 [0,1,0,1,0,0|0,0,2]=4 22314 B12R1.372 C=CCCCNC1CCCC1=O 34a_100000700776_100000709159 [0,1,0,1,0,0|0,0,2]=4 22315 B12R1.372 C=CCCCNC1CCCC1C 269862a_100000700776_100000752053 [0,1,0,1,0,0|1,0,0]=3 22316 B12R1.372 C=CCCCNC1CCOC1C 270004a_100000700776_100000691750 [0,1,0,1,0,0|2,0,0]=4 22317 B12R1.372 C=CCCCOC1CCCC1=O 34a_100000758997_100000709159 [0,1,0,1,0,0|0,0,2]=4 22318 B12R1.372 C=CCCCOC1CCCC1=O 34a_200000719330_100000757094 [0,1,0,1,0,0|0,0,2]=4 22319 B12R1.372 C=CCCCOC1CCCC1=O 7a_100000758997_100000211823 [0,1,0,1,0,0|0,0,2]=4 22320 B12R1.372 C=CCCCOC1CCCC1C 34a_100011216460_100000757094 [0,1,0,1,0,0|1,0,0]=3 22321 B12R1.372 C=CCCCOC1CCCC1C 7a_100011216460_100000757094 [0,1,0,1,0,0|1,0,0]=3 22322 B12R1.372 C=CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000757094 [0,1,0,1,0,0|2,0,0]=4 22323 B12R1.372 C=CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000757094 [0,1,0,1,0,0|2,0,0]=4 22324 B12R1.372 C=CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000757094 [0,1,0,1,0,0|2,0,0]=4 22325 B12R1.372 C=CCCCSC1CCCC1=O 62a_100000211823_100000757094 [0,1,0,1,0,0|0,0,2]=4 22326 B12R1.372 C=CCCCSC1CCCC1=O 62a_100011713584_100000211823 [0,1,0,1,0,0|0,0,2]=4 22327 B12R1.372 C=CCCCS[C@@H]1CCC[C@H]1O 62a_100011713584_200016002552 [0,1,0,1,0,0|2,0,0]=4 22328 B12R1.372 C=CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000757094 [0,1,0,1,0,0|2,0,0]=4 22329 B12R1.372 C=CCCOCC1CCCN1C 34a_100000743107_100000754431 [0,1,0,1,0,0|2,0,0]=4 22330 B12R1.372 C=CCNCCC1CCCN1C 2230a_100020586998_100000005710 [0,1,0,1,0,0|2,0,0]=4 22331 B12R1.372 C=CCOCCC1CCCN1C 34a_100011215177_100015514636 [0,1,0,1,0,0|2,0,0]=4 22332 B12R1.372 C=CCOCCC1CCCN1C 34a_200000210373_100000005710 [0,1,0,1,0,0|2,0,0]=4 22333 B12R1.372 C=CCOCCC1CCCN1C 7a_100011215177_100015514636 [0,1,0,1,0,0|2,0,0]=4 22334 B12R1.372 C=CCSCCC1CCCN1C 62a_100000005710_100000210623 [0,1,0,1,0,0|2,0,0]=4 22335 B12R1.372 C=CCSCCC1CCCN1C 62a_100000210623_100000005710 [0,1,0,1,0,0|2,0,0]=4 22336 B12R1.372 C=COCCOC1CCCC1C 34a_100011216460_100000039644 [0,1,0,1,0,0|2,0,0]=4 22337 B12R1.372 C=COCCOC1CCCC1C 7a_100011216460_100000039644 [0,1,0,1,0,0|2,0,0]=4 22338 B12R1.372 CC#CCCOC1CCCC1=O 34a_100000750427_100000709159 [0,1,0,1,0,0|0,0,2]=4 22339 B12R1.372 CC/C=C\COC1CCCC1=O 34a_100016268518_100000709159 [0,1,0,1,0,0|0,0,2]=4 22340 B12R1.372 CC/C=C\COC1CCCC1=O 34a_200000719330_100103147603 [0,1,0,1,0,0|0,0,2]=4 22341 B12R1.372 CC/C=C\CSC1CCCC1=O 62a_100000211823_100103147603 [0,1,0,1,0,0|0,0,2]=4 22342 B12R1.372 CC/C=C\CSC1CCCC1=O 62a_100103147603_100000211823 [0,1,0,1,0,0|0,0,2]=4 22343 B12R1.372 CC1CCCC1NCCCCO 269862a_100000750430_100000752053 [0,1,0,1,0,0|0,0,2]=4 22344 B12R1.372 CC1CCCC1OCCCC#N 7a_100011216460_100000687738 [0,1,0,1,0,0|1,0,1]=4 22345 B12R1.372 CC1CCCC1OCCCC=O 7a_100011216460_200011292268 [0,1,0,1,0,0|0,0,0]=2 22346 B12R1.372 CC1CCCC1OCCCCF 34a_100011216460_100000729493 [0,1,0,1,0,0|1,0,1]=4 22347 B12R1.372 CC1CCCC1OCCCCF 7a_100011216460_100000729493 [0,1,0,1,0,0|1,0,1]=4 22348 B12R1.372 CC1CCCC1OCCCCO 34a_100011216460_100011216708 [0,1,0,1,0,0|0,0,2]=4 22349 B12R1.372 CC1CCCC1OCCCCO 7a_100011216460_100000210776 [0,1,0,1,0,0|0,0,2]=4 22350 B12R1.372 CC1SCCN1CCCCC=O 2230a_200011216479_100000139335 [0,1,0,1,0,0|1,0,0]=3 22351 B12R1.372 CC1SCCN1CCCCC=O 269982a_200011216479_100000139335 [0,1,0,1,0,0|1,0,0]=3 22352 B12R1.372 CCC#CCOC1CCCC1=O 34a_100000032950_100000709159 [0,1,0,1,0,0|0,0,2]=4 22353 B12R1.372 CCC#CCOC1CCCC1=O 34a_200000719330_100009813939 [0,1,0,1,0,0|0,0,2]=4 22354 B12R1.372 CCC#CCSC1CCCC1=O 62a_100000211823_100009813939 [0,1,0,1,0,0|0,0,2]=4 22355 B12R1.372 CCC#CCSC1CCCC1=O 62a_100009813939_100000211823 [0,1,0,1,0,0|0,0,2]=4 22356 B12R1.372 CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210314 [0,1,0,1,0,0|1,0,1]=4 22357 B12R1.372 CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210757 [0,1,0,1,0,0|1,0,1]=4 22358 B12R1.372 CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210314 [0,1,0,1,0,0|1,0,1]=4 22359 B12R1.372 CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210757 [0,1,0,1,0,0|1,0,1]=4 22360 B12R1.372 CCCCCCN1CCC[C@H]1C 34a_100015189458_100000210314 [0,1,0,1,0,0|1,0,1]=4 22361 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,1,0,1,0,0|0,0,0]=2 22362 B12R1.372 CCCCCNC1CCCC1C 269862a_100000209983_100000752053 [0,1,0,1,0,0|1,0,1]=4 22363 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [0,1,0,1,0,0|1,0,0]=3 22364 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [0,1,0,1,0,0|1,0,0]=3 22365 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [0,1,0,1,0,0|1,0,0]=3 22366 B12R1.372 CCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210326 [0,1,0,1,0,0|2,0,0]=4 22367 B12R1.372 CCCCCN[C@@H]1CONC1=O 34a_100000765999_100000718602 [0,1,0,1,0,0|2,0,0]=4 22368 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,1,0,1,0,0|0,0,0]=2 22369 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,1,0,1,0,0|0,0,0]=2 22370 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,1,0,1,0,0|0,0,0]=2 22371 B12R1.372 CCCCCOC1CCCC1C 34a_100011216460_100000718602 [0,1,0,1,0,0|1,0,1]=4 22372 B12R1.372 CCCCCOC1CCCC1C 7a_100011216460_100000210326 [0,1,0,1,0,0|1,0,1]=4 22373 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [0,1,0,1,0,0|1,0,0]=3 22374 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [0,1,0,1,0,0|1,0,0]=3 22375 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000718602 [0,1,0,1,0,0|1,0,1]=4 22376 B12R1.372 CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000718602 [0,1,0,1,0,0|1,0,1]=4 22377 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [0,1,0,1,0,0|1,0,0]=3 22378 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,1,0,1,0,0|0,0,0]=2 22379 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,1,0,1,0,0|0,0,0]=2 22380 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [0,1,0,1,0,0|1,0,0]=3 22381 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [0,1,0,1,0,0|1,0,0]=3 22382 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_100000210326_200016002552 [0,1,0,1,0,0|0,0,2]=4 22383 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210326 [0,1,0,1,0,0|0,0,2]=4 22384 B12R1.372 CCCCOCC1=CCCC1=O 34a_100000087531_100000210210 [0,1,0,1,0,0|0,0,2]=4 22385 B12R1.372 CCCCOCC1CCCN1C 34a_100000743107_100000210210 [0,1,0,1,0,0|2,0,0]=4 22386 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [0,1,0,1,0,0|1,0,0]=3 22387 B12R1.372 CCCCSCN1CCCC1=O 62a_100000026320_100000210210 [0,1,0,1,0,0|1,0,0]=3 22388 B12R1.372 CCCCSCN1CCCC1=O 62a_100000210211_100000026320 [0,1,0,1,0,0|1,0,0]=3 22389 B12R1.372 CCCNCCN1CCCC1=O 2230a_100011200922_100000210303 [0,1,0,1,0,0|1,0,0]=3 22390 B12R1.372 CCCNCCN1CCNC1=O 2230a_100011207550_100000210303 [0,1,0,1,0,0|2,0,0]=4 22391 B12R1.372 CCCOCCC1CCCN1C 34a_100000210258_100000005710 [0,1,0,1,0,0|2,0,0]=4 22392 B12R1.372 CCCOCCC1CCCN1C 34a_100011215177_100000210303 [0,1,0,1,0,0|2,0,0]=4 22393 B12R1.372 CCCOCCC1CCCN1C 7a_100011215177_100000210303 [0,1,0,1,0,0|2,0,0]=4 22394 B12R1.372 CCCOCCN1CCCC1=O 34a_100000210258_100000739059 [0,1,0,1,0,0|1,0,0]=3 22395 B12R1.372 CCCOCCN1CCCC1=O 34a_100000211209_100000210303 [0,1,0,1,0,0|1,0,0]=3 22396 B12R1.372 CCCOCCN1CCCC1=O 7a_100000211209_100000210303 [0,1,0,1,0,0|1,0,0]=3 22397 B12R1.372 CCCOCCN1CCNC1=O 34a_100000216532_100000210303 [0,1,0,1,0,0|2,0,0]=4 22398 B12R1.372 CCCSCCC1CCCN1C 62a_100000005710_100000210303 [0,1,0,1,0,0|2,0,0]=4 22399 B12R1.372 CCCSCCC1CCCN1C 62a_100000210303_100000005710 [0,1,0,1,0,0|2,0,0]=4 22400 B12R1.372 CCCSCCN1CCCC1=O 62a_100000210303_100000739059 [0,1,0,1,0,0|1,0,0]=3 22401 B12R1.372 CCCSCCN1CCCC1=O 62a_100000739059_100000210303 [0,1,0,1,0,0|1,0,0]=3 22402 B12R1.372 CCCSCCN1CCNC1=O 62a_100000090651_100000210303 [0,1,0,1,0,0|2,0,0]=4 22403 B12R1.372 CCCSCCN1CCNC1=O 62a_100000210303_100000090651 [0,1,0,1,0,0|2,0,0]=4 22404 B12R1.372 CCNCCCN1CCCC1=O 2230a_100000210347_100000210202 [0,1,0,1,0,0|1,0,0]=3 22405 B12R1.372 CCNCCCN1CCCC1=O 34a_100000210347_100000210202 [0,1,0,1,0,0|1,0,0]=3 22406 B12R1.372 CCOCCCN1CCCC1=O 34a_100011216539_100000210202 [0,1,0,1,0,0|1,0,0]=3 22407 B12R1.372 CCOCCCN1CCCC1=O 7a_100011216539_100000210202 [0,1,0,1,0,0|1,0,0]=3 22408 B12R1.372 CCOCCNC1CCCC1=O 2230a_102516460346_100000211823 [0,1,0,1,0,0|1,0,0]=3 22409 B12R1.372 CCOCCNC1CCCC1=O 34a_102516460346_100000709159 [0,1,0,1,0,0|1,0,0]=3 22410 B12R1.372 CCOCCNC1CCNC1=O 2230a_100016995588_100011215890 [0,1,0,1,0,0|2,0,0]=4 22411 B12R1.372 CCOCCNC1CCNC1=O 34a_100016995588_100000210147 [0,1,0,1,0,0|2,0,0]=4 22412 B12R1.372 CCOCCNC1CCOC1=O 2230a_102516460346_100000211211 [0,1,0,1,0,0|2,0,0]=4 22413 B12R1.372 CCOCCNC1CCOC1=O 34a_102516460346_100000211211 [0,1,0,1,0,0|2,0,0]=4 22414 B12R1.372 CCOCCOC1CCCC1=O 34a_100000210136_100000709159 [0,1,0,1,0,0|1,0,0]=3 22415 B12R1.372 CCOCCOC1CCCC1=O 34a_200000719330_100000210147 [0,1,0,1,0,0|1,0,0]=3 22416 B12R1.372 CCOCCOC1CCCC1=O 7a_100000210136_100000211823 [0,1,0,1,0,0|1,0,0]=3 22417 B12R1.372 CCOCCOC1CCOC1=O 34a_100000210136_100000211211 [0,1,0,1,0,0|2,0,0]=4 22418 B12R1.372 CCOCCOC1CCOC1=O 7a_100000210136_100000211211 [0,1,0,1,0,0|2,0,0]=4 22419 B12R1.372 CCOCCO[C@H]1CCNC1=O 34a_100000688343_100000210147 [0,1,0,1,0,0|2,0,0]=4 22420 B12R1.372 CCOCCSC1CCCC1=O 62a_100000210147_100000211823 [0,1,0,1,0,0|1,0,0]=3 22421 B12R1.372 CCOCCSC1CCCC1=O 62a_100000211823_100011215890 [0,1,0,1,0,0|1,0,0]=3 22422 B12R1.372 CCOCCSC1CCOC1=O 62a_100000210147_100000211211 [0,1,0,1,0,0|2,0,0]=4 22423 B12R1.372 CCOCCSC1CCOC1=O 62a_100000211211_100011215890 [0,1,0,1,0,0|2,0,0]=4 22424 B12R1.372 CCOCSCN1CCCC1=O 62a_100000026320_100000739092 [0,1,0,1,0,0|2,0,0]=4 22425 B12R1.372 CCOCSCN1CCCC1=O 62a_100000739092_100000026320 [0,1,0,1,0,0|2,0,0]=4 22426 B12R1.372 CCSCCNC1CCCC1=O 2230a_100000106463_100000211823 [0,1,0,1,0,0|1,0,0]=3 22427 B12R1.372 CCSCCNC1CCNC1=O 2230a_100016995588_100000757381 [0,1,0,1,0,0|2,0,0]=4 22428 B12R1.372 CCSCCNC1CCNC1=O 34a_100016995588_100000757381 [0,1,0,1,0,0|2,0,0]=4 22429 B12R1.372 CCSCCNC1CCOC1=O 2230a_100000106463_100000211211 [0,1,0,1,0,0|2,0,0]=4 22430 B12R1.372 CCSCCOC1CCCC1=O 34a_100000212035_100000709159 [0,1,0,1,0,0|1,0,0]=3 22431 B12R1.372 CCSCCOC1CCCC1=O 34a_200000719330_100000757381 [0,1,0,1,0,0|1,0,0]=3 22432 B12R1.372 CCSCCOC1CCCC1=O 7a_100000212035_100000211823 [0,1,0,1,0,0|1,0,0]=3 22433 B12R1.372 CCSCCOC1CCOC1=O 34a_100000212035_100000211211 [0,1,0,1,0,0|2,0,0]=4 22434 B12R1.372 CCSCCOC1CCOC1=O 7a_100000212035_100000211211 [0,1,0,1,0,0|2,0,0]=4 22435 B12R1.372 CCSCCO[C@H]1CCNC1=O 34a_100000688343_100000757381 [0,1,0,1,0,0|2,0,0]=4 22436 B12R1.372 CCSCCSC1CCCC1=O 62a_100000211823_100000757381 [0,1,0,1,0,0|1,0,0]=3 22437 B12R1.372 CCSCCSC1CCCC1=O 62a_100000757381_100000211823 [0,1,0,1,0,0|1,0,0]=3 22438 B12R1.372 CCSCCSC1CCOC1=O 62a_100000211211_100000757381 [0,1,0,1,0,0|2,0,0]=4 22439 B12R1.372 CCSCCSC1CCOC1=O 62a_100000757381_100000211211 [0,1,0,1,0,0|2,0,0]=4 22440 B12R1.372 CN1CCCC1CCOCC=O 34a_100011215177_200009817547 [0,1,0,1,0,0|1,0,0]=3 22441 B12R1.372 CN1CCCC1CCOCC=O 7a_100011215177_200015260668 [0,1,0,1,0,0|1,0,0]=3 22442 B12R1.372 CN1CCCC1CCSCC=O 62a_100000005710_200015260668 [0,1,0,1,0,0|1,0,0]=3 22443 B12R1.372 CN1CCCC1CCSCC=O 62a_200015260668_100000005710 [0,1,0,1,0,0|1,0,0]=3 22444 B12R1.372 CNCCCOC1CCCC1=O 34a_100000213112_100000709159 [0,1,0,1,0,0|1,0,0]=3 22445 B12R1.372 CNCCCOC1CCOC1=O 34a_100000213112_100000211211 [0,1,0,1,0,0|2,0,0]=4 22446 B12R1.372 COCCCCN1CCC[C@@H]1C 2230a_100020605311_100000730899 [0,1,0,1,0,0|2,0,0]=4 22447 B12R1.372 COCCCCN1CCC[C@@H]1C 269982a_100020605311_100000730899 [0,1,0,1,0,0|2,0,0]=4 22448 B12R1.372 COCCCCN1CCC[C@H]1C 2230a_100015189458_100000730899 [0,1,0,1,0,0|2,0,0]=4 22449 B12R1.372 COCCCCN1CCC[C@H]1C 269982a_100015189458_100000730899 [0,1,0,1,0,0|2,0,0]=4 22450 B12R1.372 COCCCCN1CCC[C@H]1C 34a_100015189458_100000755781 [0,1,0,1,0,0|2,0,0]=4 22451 B12R1.372 COCCCNC1CCCC1=O 34a_100150723488_100000709159 [0,1,0,1,0,0|1,0,0]=3 22452 B12R1.372 COCCCNC1CCCC1C 269862a_100150723488_100000752053 [0,1,0,1,0,0|2,0,0]=4 22453 B12R1.372 COCCCNC1CCNC1=O 2230a_100016995588_100000740836 [0,1,0,1,0,0|2,0,0]=4 22454 B12R1.372 COCCCNC1CCNC1=O 34a_100016995588_100000740836 [0,1,0,1,0,0|2,0,0]=4 22455 B12R1.372 COCCCNC1CCOC1=O 34a_100150723488_100000211211 [0,1,0,1,0,0|2,0,0]=4 22456 B12R1.372 COCCCOC1CCCC1=O 34a_100000740835_100000709159 [0,1,0,1,0,0|1,0,0]=3 22457 B12R1.372 COCCCOC1CCCC1=O 34a_200000719330_100000740836 [0,1,0,1,0,0|1,0,0]=3 22458 B12R1.372 COCCCOC1CCCC1C 34a_100011216460_100000740836 [0,1,0,1,0,0|2,0,0]=4 22459 B12R1.372 COCCCOC1CCCC1C 7a_100011216460_100000740836 [0,1,0,1,0,0|2,0,0]=4 22460 B12R1.372 COCCCOC1CCOC1=O 34a_100000740835_100000211211 [0,1,0,1,0,0|2,0,0]=4 22461 B12R1.372 COCCCO[C@H]1CCNC1=O 34a_100000688343_100000740836 [0,1,0,1,0,0|2,0,0]=4 22462 B12R1.372 COCCCSC1CCCC1=O 62a_100000211823_100000709357 [0,1,0,1,0,0|1,0,0]=3 22463 B12R1.372 COCCCSC1CCCC1=O 62a_100000709357_100000211823 [0,1,0,1,0,0|1,0,0]=3 22464 B12R1.372 COCCCSC1CCOC1=O 62a_100000211211_100000709357 [0,1,0,1,0,0|2,0,0]=4 22465 B12R1.372 COCCCSC1CCOC1=O 62a_100000709357_100000211211 [0,1,0,1,0,0|2,0,0]=4 22466 B12R1.372 COCCOCC1CCNC1=O 34a_100000133458_100011201679 [0,1,0,1,0,0|2,0,0]=4 22467 B12R1.372 COCCSCN1CCCC1=O 62a_100000026320_100000233755 [0,1,0,1,0,0|2,0,0]=4 22468 B12R1.372 COCCSCN1CCCC1=O 62a_100000233755_100000026320 [0,1,0,1,0,0|2,0,0]=4 22469 B12R1.372 COCNCCN1CCCC1=O 2230a_100011200922_100000766300 [0,1,0,1,0,0|2,0,0]=4 22470 B12R1.372 COCSCCN1CCCC1=O 62a_100000739059_100000766300 [0,1,0,1,0,0|2,0,0]=4 22471 B12R1.372 COCSCCN1CCCC1=O 62a_100000766300_100000739059 [0,1,0,1,0,0|2,0,0]=4 22472 B12R1.372 CSCCCNC1CCCC1=O 2230a_100000749238_100000211823 [0,1,0,1,0,0|1,0,0]=3 22473 B12R1.372 CSCCCNC1CCCC1C 269862a_100000749238_100000752053 [0,1,0,1,0,0|2,0,0]=4 22474 B12R1.372 CSCCCNC1CCOC1=O 2230a_100000749238_100000211211 [0,1,0,1,0,0|2,0,0]=4 22475 B12R1.372 CSCCCOC1CCCC1=O 34a_100000690336_100000709159 [0,1,0,1,0,0|1,0,0]=3 22476 B12R1.372 CSCCCOC1CCCC1=O 7a_100000690336_100000211823 [0,1,0,1,0,0|1,0,0]=3 22477 B12R1.372 CSCCCOC1CCOC1=O 34a_100000690336_100000211211 [0,1,0,1,0,0|2,0,0]=4 22478 B12R1.372 CSCCCOC1CCOC1=O 7a_100000690336_100000211211 [0,1,0,1,0,0|2,0,0]=4 22479 B12R1.372 CSCCOCC1CCNC1=O 34a_100000133458_100000212216 [0,1,0,1,0,0|2,0,0]=4 22480 B12R1.372 CSCCSCN1CCCC1=O 62a_100000026320_100000751147 [0,1,0,1,0,0|2,0,0]=4 22481 B12R1.372 CSCCSCN1CCCC1=O 62a_100000212216_100000026320 [0,1,0,1,0,0|2,0,0]=4 22482 B12R1.372 CSCNCCN1CCCC1=O 2230a_100011200922_100011218213 [0,1,0,1,0,0|2,0,0]=4 22483 B12R1.372 CSCOCCN1CCCC1=O 34a_100000211209_100011218213 [0,1,0,1,0,0|2,0,0]=4 22484 B12R1.372 CSCSCCN1CCCC1=O 62a_100000739059_100011218213 [0,1,0,1,0,0|2,0,0]=4 22485 B12R1.372 CSCSCCN1CCCC1=O 62a_100011218213_100000739059 [0,1,0,1,0,0|2,0,0]=4 22486 B12R1.372 C[C@@H]1CCCN1CCCCC#N 2230a_100015189458_100000211819 [0,1,0,1,0,0|1,0,1]=4 22487 B12R1.372 C[C@@H]1CCCN1CCCCC#N 269982a_100015189458_100011219923 [0,1,0,1,0,0|1,0,1]=4 22488 B12R1.372 C[C@@H]1CCCN1CCCCC=O 2230a_100015189458_100000139335 [0,1,0,1,0,0|0,0,0]=2 22489 B12R1.372 C[C@@H]1CCCN1CCCCC=O 269982a_100015189458_100000139335 [0,1,0,1,0,0|0,0,0]=2 22490 B12R1.372 C[C@@H]1CCCN1CCCCCF 2230a_100015189458_100000729378 [0,1,0,1,0,0|1,0,1]=4 22491 B12R1.372 C[C@@H]1CCCN1CCCCCF 269982a_100015189458_100000729378 [0,1,0,1,0,0|1,0,1]=4 22492 B12R1.372 C[C@@H]1CCCN1CCCCCF 34a_100015189458_100000729378 [0,1,0,1,0,0|1,0,1]=4 22493 B12R1.372 C[C@@H]1CCCN1CCCCCO 2230a_100015189458_100000746330 [0,1,0,1,0,0|0,0,2]=4 22494 B12R1.372 C[C@@H]1CCCN1CCCCCO 269982a_100015189458_100000746330 [0,1,0,1,0,0|0,0,2]=4 22495 B12R1.372 C[C@@H]1CCCN1CCCCCO 34a_100015189458_100000746330 [0,1,0,1,0,0|0,0,2]=4 22496 B12R1.372 C[C@H]1CCCN1CCCCC#N 2230a_100020605311_100000211819 [0,1,0,1,0,0|1,0,1]=4 22497 B12R1.372 C[C@H]1CCCN1CCCCC#N 269982a_100020605311_100011219923 [0,1,0,1,0,0|1,0,1]=4 22498 B12R1.372 C[C@H]1CCCN1CCCCC=O 2230a_100020605311_100000139335 [0,1,0,1,0,0|0,0,0]=2 22499 B12R1.372 C[C@H]1CCCN1CCCCC=O 269982a_100020605311_100000139335 [0,1,0,1,0,0|0,0,0]=2 22500 B12R1.372 C[C@H]1CCCN1CCCCCF 2230a_100020605311_100000729378 [0,1,0,1,0,0|1,0,1]=4 22501 B12R1.372 C[C@H]1CCCN1CCCCCF 269982a_100020605311_100000729378 [0,1,0,1,0,0|1,0,1]=4 22502 B12R1.372 C[C@H]1CCCN1CCCCCO 2230a_100020605311_100000746330 [0,1,0,1,0,0|0,0,2]=4 22503 B12R1.372 C[C@H]1CCCN1CCCCCO 269982a_100020605311_100000746330 [0,1,0,1,0,0|0,0,2]=4 22504 B12R1.372 N#CCCCSC1CCCC1=O 62a_100000211823_100000687738 [0,1,0,1,0,0|1,0,1]=4 22505 B12R1.372 N#CCCCSC1CCCC1=O 62a_100000687738_100000211823 [0,1,0,1,0,0|1,0,1]=4 22506 B12R1.372 NCCCCOC1CCCC1=O 34a_100000750430_100000709159 [0,1,0,1,0,0|1,0,0]=3 22507 B12R1.372 NCCCCOC1CCOC1=O 34a_100000750430_100000211211 [0,1,0,1,0,0|2,0,0]=4 22508 B12R1.372 NCCOCCN1CCCC1=O 34a_100000210304_100000739059 [0,1,0,1,0,0|2,0,0]=4 22509 B12R1.372 O=C1CCCC1NCCCCO 2230a_100000750430_100000211823 [0,1,0,1,0,0|1,0,0]=3 22510 B12R1.372 O=C1CCCC1NCCCCO 34a_100000750430_100000709159 [0,1,0,1,0,0|1,0,0]=3 22511 B12R1.372 O=C1CCCC1OCCCCBr 34a_100011216708_100000709159 [0,1,0,1,0,0|1,0,0]=3 22512 B12R1.372 O=C1CCCC1OCCCCCl 34a_100000210776_100000709159 [0,1,0,1,0,0|1,0,0]=3 22513 B12R1.372 O=C1CCCC1OCCCCCl 7a_100000210776_100000211823 [0,1,0,1,0,0|1,0,0]=3 22514 B12R1.372 O=C1CCCC1OCCCCF 34a_100011995726_100000709159 [0,1,0,1,0,0|1,0,0]=3 22515 B12R1.372 O=C1CCCC1OCCCCF 34a_200000719330_100000729493 [0,1,0,1,0,0|1,0,0]=3 22516 B12R1.372 O=C1CCCC1OCCCCF 7a_100011995726_100000211823 [0,1,0,1,0,0|1,0,0]=3 22517 B12R1.372 O=C1CCCC1OCCCCI 34a_200012148704_100000709159 [0,1,0,1,0,0|1,0,0]=3 22518 B12R1.372 O=C1CCCC1OCCCCO 34a_200000719330_100011216708 [0,1,0,1,0,0|1,0,0]=3 22519 B12R1.372 O=C1CCCC1SCCCCF 62a_100000211823_100000729493 [0,1,0,1,0,0|1,0,0]=3 22520 B12R1.372 O=C1CCCC1SCCCCF 62a_100000729493_100000211823 [0,1,0,1,0,0|1,0,0]=3 22521 B12R1.372 O=C1CCCC1SCCCCO 62a_100000210776_100000211823 [0,1,0,1,0,0|1,0,0]=3 22522 B12R1.372 O=C1CCCC1SCCCCO 62a_100000211823_100000210776 [0,1,0,1,0,0|1,0,0]=3 22523 B12R1.372 O=C1CCCN1CCCNCF 34a_100000210347_100015361967 [0,1,0,1,0,0|2,0,0]=4 22524 B12R1.372 O=C1CCCN1CCCOCF 34a_100011216539_100015361967 [0,1,0,1,0,0|2,0,0]=4 22525 B12R1.372 O=C1CCCN1CCCOCF 7a_100011216539_100015361967 [0,1,0,1,0,0|2,0,0]=4 22526 B12R1.372 O=C1CCCN1CCNCCF 2230a_100011200922_100011217306 [0,1,0,1,0,0|2,0,0]=4 22527 B12R1.372 O=C1CCCN1CCNCCF 34a_100000724931_100000739059 [0,1,0,1,0,0|2,0,0]=4 22528 B12R1.372 O=C1CCCN1CCNCCO 2230a_100011200922_100000211926 [0,1,0,1,0,0|2,0,0]=4 22529 B12R1.372 O=C1CCCN1CCNCCO 2230a_100016997473_100000739059 [0,1,0,1,0,0|2,0,0]=4 22530 B12R1.372 O=C1CCCN1CCNCCO 34a_100016990907_100000739059 [0,1,0,1,0,0|2,0,0]=4 22531 B12R1.372 O=C1CCCN1CCOCCBr 34a_100000211926_100000739059 [0,1,0,1,0,0|2,0,0]=4 22532 B12R1.372 O=C1CCCN1CCOCCF 34a_100000211209_100011217306 [0,1,0,1,0,0|2,0,0]=4 22533 B12R1.372 O=C1CCCN1CCOCCF 7a_100000211209_100011217306 [0,1,0,1,0,0|2,0,0]=4 22534 B12R1.372 O=C1CCCN1CCOCCO 34a_100000211209_100000211926 [0,1,0,1,0,0|2,0,0]=4 22535 B12R1.372 O=C1CCCN1CCOCCO 7a_100000211209_100000211926 [0,1,0,1,0,0|2,0,0]=4 22536 B12R1.372 O=C1CCCN1CCSCCF 62a_100000739059_100011217306 [0,1,0,1,0,0|2,0,0]=4 22537 B12R1.372 O=C1CCCN1CCSCCF 62a_100011217306_100000739059 [0,1,0,1,0,0|2,0,0]=4 22538 B12R1.372 O=C1CCCN1CCSCCO 62a_100000211926_100000739059 [0,1,0,1,0,0|2,0,0]=4 22539 B12R1.372 O=C1CCCN1CCSCCO 62a_100000739059_100000211926 [0,1,0,1,0,0|2,0,0]=4 22540 B12R1.372 O=C1CCCN1CSCCCF 62a_100000026320_100011934791 [0,1,0,1,0,0|2,0,0]=4 22541 B12R1.372 O=C1CCCN1CSCCCF 62a_100011934791_100000026320 [0,1,0,1,0,0|2,0,0]=4 22542 B12R1.372 O=C1CCCN1CSCCCO 62a_100000026320_100011215043 [0,1,0,1,0,0|2,0,0]=4 22543 B12R1.372 O=C1CCCN1CSCCCO 62a_100011215043_100000026320 [0,1,0,1,0,0|2,0,0]=4 22544 B12R1.372 O=C1NCCC1COCCCF 34a_100000133458_100011934791 [0,1,0,1,0,0|2,0,0]=4 22545 B12R1.372 O=C1NCCC1COCCCO 34a_100000133458_100000230001 [0,1,0,1,0,0|2,0,0]=4 22546 B12R1.372 O=C1NCCC1NCCCCF 2230a_100016995588_100000729493 [0,1,0,1,0,0|2,0,0]=4 22547 B12R1.372 O=C1NCCC1NCCCCF 34a_100016995588_100000729493 [0,1,0,1,0,0|2,0,0]=4 22548 B12R1.372 O=C1NCCC1NCCCCO 2230a_100016995588_100000210776 [0,1,0,1,0,0|2,0,0]=4 22549 B12R1.372 O=C1NCCC1NCCCCO 34a_100016995588_100011216708 [0,1,0,1,0,0|2,0,0]=4 22550 B12R1.372 O=C1NCC[C@@H]1OCCCCF 34a_100000688343_100000729493 [0,1,0,1,0,0|2,0,0]=4 22551 B12R1.372 O=C1NCC[C@@H]1OCCCCO 34a_100000688343_100011216708 [0,1,0,1,0,0|2,0,0]=4 22552 B12R1.372 O=C1OCCC1NCCCCO 2230a_100000750430_100000211211 [0,1,0,1,0,0|2,0,0]=4 22553 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CCOCCCOC1CCC1=O 7a_100000757476_100009892977 [0,1,0,1,0,0|1,0,0]=3 22836 B12R1.383 CCOCCCSC1CCC1=O 62a_100009892977_100012232248 [0,1,0,1,0,0|1,0,0]=3 22837 B12R1.383 CCOCCCSC1CCC1=O 62a_100012232248_100009892977 [0,1,0,1,0,0|1,0,0]=3 22838 B12R1.383 CCOCSCCC1CCC1=O 62a_100000739092_200016118888 [0,1,0,1,0,0|1,0,0]=3 22839 B12R1.383 CCOCSCCC1CCC1=O 62a_200016118888_100000739092 [0,1,0,1,0,0|1,0,0]=3 22840 B12R1.383 CCSCCCOC1CCC1=O 34a_100011216438_100009892977 [0,1,0,1,0,0|1,0,0]=3 22841 B12R1.383 CCSCCCOC1CCC1=O 7a_100011216438_100009892977 [0,1,0,1,0,0|1,0,0]=3 22842 B12R1.383 COCCCCOC1CCC1=O 34a_100000740925_100009892977 [0,1,0,1,0,0|1,0,0]=3 22843 B12R1.383 COCCCCSC1CCC1=O 62a_100000730899_100009892977 [0,1,0,1,0,0|1,0,0]=3 22844 B12R1.383 COCCCCSC1CCC1=O 62a_100009892977_100000730899 [0,1,0,1,0,0|1,0,0]=3 22845 B12R1.383 COCCNCCC1CCC1=O 2230a_100000209980_200016118888 [0,1,0,1,0,0|1,0,0]=3 22846 B12R1.383 COCCOCSC1CCC1=O 62a_100000231047_100009892977 [0,1,0,1,0,0|2,0,0]=4 22847 B12R1.383 COCCOCSC1CCC1=O 62a_100009892977_100000231047 [0,1,0,1,0,0|2,0,0]=4 22848 B12R1.383 COCCSCCC1CCC1=O 62a_100000233755_200016118888 [0,1,0,1,0,0|1,0,0]=3 22849 B12R1.383 COCCSCCC1CCC1=O 62a_200016118888_100000233755 [0,1,0,1,0,0|1,0,0]=3 22850 B12R1.383 CSCCCCOC1CCC1=O 34a_100011217163_100009892977 [0,1,0,1,0,0|1,0,0]=3 22851 B12R1.383 CSCCCCOC1CCC1=O 7a_100011217163_100009892977 [0,1,0,1,0,0|1,0,0]=3 22852 B12R1.383 CSCCNCCC1CCC1=O 2230a_100020590264_200016118888 [0,1,0,1,0,0|1,0,0]=3 22853 B12R1.383 CSCCOCCC1CCC1=O 7a_100000230434_200016118888 [0,1,0,1,0,0|1,0,0]=3 22854 B12R1.383 CSCCSCCC1CCC1=O 62a_100000212216_200016118888 [0,1,0,1,0,0|1,0,0]=3 22855 B12R1.383 CSCCSCCC1CCC1=O 62a_200016118888_100000751147 [0,1,0,1,0,0|1,0,0]=3 22856 B12R1.383 N#CCCCCSC1CCC1=O 62a_100009892977_100000211819 [0,1,0,1,0,0|1,0,1]=4 22857 B12R1.383 N#CCCCCSC1CCC1=O 62a_100011219923_100009892977 [0,1,0,1,0,0|1,0,1]=4 22858 B12R1.383 N#CCCSCCC1CCC1=O 62a_100011215226_200016118888 [0,1,0,1,0,0|1,0,1]=4 22859 B12R1.383 N#CCCSCCC1CCC1=O 62a_200016118888_100011215226 [0,1,0,1,0,0|1,0,1]=4 22860 B12R1.383 NCCCCCOC1CCC1=O 34a_100000762737_100009892977 [0,1,0,1,0,0|1,0,0]=3 22861 B12R1.383 NCCOCCOC1CCC1=O 34a_100000211614_100009892977 [0,1,0,1,0,0|2,0,0]=4 22862 B12R1.383 O=C1CCC1CCNCCCF 2230a_100015189416_200016118888 [0,1,0,1,0,0|1,0,0]=3 22863 B12R1.383 O=C1CCC1CCSCCCF 62a_100011934791_200016118888 [0,1,0,1,0,0|1,0,0]=3 22864 B12R1.383 O=C1CCC1CCSCCCF 62a_200016118888_100011934791 [0,1,0,1,0,0|1,0,0]=3 22865 B12R1.383 O=C1CCC1CCSCCCO 62a_100011215043_200016118888 [0,1,0,1,0,0|1,0,0]=3 22866 B12R1.383 O=C1CCC1CCSCCCO 62a_200016118888_100011215043 [0,1,0,1,0,0|1,0,0]=3 22867 B12R1.383 O=C1CCC1NCCCCCO 34a_100000762737_100009892977 [0,1,0,1,0,0|1,0,0]=3 22868 B12R1.383 O=C1CCC1NCCOCCO 34a_100000211614_100009892977 [0,1,0,1,0,0|2,0,0]=4 22869 B12R1.383 O=C1CCC1OCCCCCBr 34a_100000746331_100009892977 [0,1,0,1,0,0|1,0,0]=3 22870 B12R1.383 O=C1CCC1OCCCCCBr 7a_100000746331_100009892977 [0,1,0,1,0,0|1,0,0]=3 22871 B12R1.383 O=C1CCC1OCCCCCCl 34a_100000746330_100009892977 [0,1,0,1,0,0|1,0,0]=3 22872 B12R1.383 O=C1CCC1OCCCCCCl 7a_100000746330_100009892977 [0,1,0,1,0,0|1,0,0]=3 22873 B12R1.383 O=C1CCC1OCCCCCI 34a_200012148887_100009892977 [0,1,0,1,0,0|1,0,0]=3 22874 B12R1.383 O=C1CCC1OCCCCCI 7a_200012148887_100009892977 [0,1,0,1,0,0|1,0,0]=3 22875 B12R1.383 O=C1CCC1OCCOCCBr 34a_100000692535_100009892977 [0,1,0,1,0,0|2,0,0]=4 22876 B12R1.383 O=C1CCC1OCCOCCBr 7a_100000692535_100009892977 [0,1,0,1,0,0|2,0,0]=4 22877 B12R1.383 O=C1CCC1OCCOCCCl 34a_100011215305_100009892977 [0,1,0,1,0,0|2,0,0]=4 22878 B12R1.383 O=C1CCC1OCCOCCCl 7a_100011215305_100009892977 [0,1,0,1,0,0|2,0,0]=4 22879 B12R1.383 O=C1CCC1OCCOCCF 34a_200015357709_100009892977 [0,1,0,1,0,0|2,0,0]=4 22880 B12R1.383 O=C1CCC1OCCOCCF 7a_200015357709_100009892977 [0,1,0,1,0,0|2,0,0]=4 22881 B12R1.383 O=C1CCC1OCCOCCI 34a_100012149058_100009892977 [0,1,0,1,0,0|2,0,0]=4 22882 B12R1.383 O=C1CCC1OCCOCCI 7a_100012149058_100009892977 [0,1,0,1,0,0|2,0,0]=4 22883 B12R1.383 O=C1CCC1SCCCCCF 62a_100000729378_100009892977 [0,1,0,1,0,0|1,0,0]=3 22884 B12R1.383 O=C1CCC1SCCCCCF 62a_100009892977_100000729378 [0,1,0,1,0,0|1,0,0]=3 22885 B12R1.383 O=C1CCC1SCCCCCO 62a_100000746330_100009892977 [0,1,0,1,0,0|1,0,0]=3 22886 B12R1.383 O=C1CCC1SCCCCCO 62a_100009892977_100000746330 [0,1,0,1,0,0|1,0,0]=3 22887 B12R1.383 O=C1CCC1SCCOCCO 62a_100009892977_100011215305 [0,1,0,1,0,0|2,0,0]=4 22888 B12R1.383 O=C1CCC1SCCOCCO 62a_100011215305_100009892977 [0,1,0,1,0,0|2,0,0]=4 22889 B12R1.383 O=CCCCCSC1CCC1=O 62a_100000139335_100009892977 [0,1,0,1,0,0|1,0,1]=4 22890 B12R1.383 O=CCCCCSC1CCC1=O 62a_100009892977_100000139335 [0,1,0,1,0,0|1,0,1]=4 22891 B12R1.458 C=CCCCN1CCC1COC 2230a_100015195929_100011713584 [0,1,0,1,0,0|2,0,0]=4 22892 B12R1.458 C=CCCCN1CCC1COC 269982a_100015195929_100000757094 [0,1,0,1,0,0|2,0,0]=4 22893 B12R1.458 C=CCCCN1CCC1COC 34a_100015195929_100000757094 [0,1,0,1,0,0|2,0,0]=4 22894 B12R1.458 CCCCCN1CCC1COC 2230a_100015195929_100000210326 [0,1,0,1,0,0|2,0,0]=4 22895 B12R1.458 CCCCCN1CCC1COC 269982a_100015195929_100000210215 [0,1,0,1,0,0|2,0,0]=4 22896 B12R1.458 CCCCCN1CCC1COC 34a_100015195929_100000718602 [0,1,0,1,0,0|2,0,0]=4 22897 B12R1.458 COCC1CCN1CCCC=O 2230a_100015195929_200011292268 [0,1,0,1,0,0|1,0,0]=3 22898 B12R1.458 COCC1CCN1CCCC=O 269982a_100015195929_200011292268 [0,1,0,1,0,0|1,0,0]=3 22899 B12R1.1414 BrCCCOC1CCCCCC1 34a_100011217188_100011217769 [0,1,0,1,0,0|1,0,1]=4 22900 B12R1.1414 BrCCOCC1CCCCCC1 34a_100000211926_200000696569 [0,1,0,1,0,0|1,0,1]=4 22901 B12R1.1414 C#CCCCN1CCCCCC1 2230a_100000185865_100000731252 [0,1,0,1,0,0|1,0,1]=4 22902 B12R1.1414 C#CCCCN1CCCCCC1 269982a_100000185865_100011215417 [0,1,0,1,0,0|1,0,1]=4 22903 B12R1.1414 C#CCCCN1CCCCCC1 34a_100000185865_100000695029 [0,1,0,1,0,0|1,0,1]=4 22904 B12R1.1414 C#CCCNC1CCCCCC1 2230a_100000210984_100000688953 [0,1,0,1,0,0|1,0,1]=4 22905 B12R1.1414 C#CCCNC1CCCCCC1 34a_100000210984_100000688953 [0,1,0,1,0,0|1,0,1]=4 22906 B12R1.1414 C#CCCNC1CCCCCC1 34a_100000755551_100011217769 [0,1,0,1,0,0|1,0,1]=4 22907 B12R1.1414 C#CCCOC1CCCCCC1 34a_100000210887_100000688953 [0,1,0,1,0,0|1,0,1]=4 22908 B12R1.1414 C#CCCOC1CCCCCC1 34a_100011215631_100011217769 [0,1,0,1,0,0|1,0,1]=4 22909 B12R1.1414 C#CCCOC1CCCCCC1 7a_100000210887_100000688953 [0,1,0,1,0,0|1,0,1]=4 22910 B12R1.1414 C#CCCSC1CCCCCC1 62a_100000688953_100011217769 [0,1,0,1,0,0|1,0,1]=4 22911 B12R1.1414 C#CCCSC1CCCCCC1 62a_100011217769_100000688953 [0,1,0,1,0,0|1,0,1]=4 22912 B12R1.1414 C#CCNCC1CCCCCC1 2230a_100015204231_100000038162 [0,1,0,1,0,0|1,0,1]=4 22913 B12R1.1414 C#CCNCC1CCCCCC1 34a_100000212058_200000696569 [0,1,0,1,0,0|1,0,1]=4 22914 B12R1.1414 C#CCNCC1CCCCCC1 34a_100015204231_100000184674 [0,1,0,1,0,0|1,0,1]=4 22915 B12R1.1414 C#CCOCC1CCCCCC1 34a_100000210247_200000696569 [0,1,0,1,0,0|1,0,1]=4 22916 B12R1.1414 C#CCOCC1CCCCCC1 34a_100000699130_100000184674 [0,1,0,1,0,0|1,0,1]=4 22917 B12R1.1414 C#CCOCC1CCCCCC1 7a_100000699130_100000038162 [0,1,0,1,0,0|1,0,1]=4 22918 B12R1.1414 C#CCSCC1CCCCCC1 62a_100000038162_200000696569 [0,1,0,1,0,0|1,0,1]=4 22919 B12R1.1414 C/C=C/CNC1CCCCCC1 34a_100000210984_100102629194 [0,1,0,1,0,0|1,0,1]=4 22920 B12R1.1414 C/C=C/COC1CCCCCC1 34a_100000210887_100102629194 [0,1,0,1,0,0|1,0,1]=4 22921 B12R1.1414 C/C=C/COC1CCCCCC1 34a_100016270725_100011217769 [0,1,0,1,0,0|1,0,1]=4 22922 B12R1.1414 C/C=C/COC1CCCCCC1 7a_100000210887_100102629194 [0,1,0,1,0,0|1,0,1]=4 22923 B12R1.1414 C/C=C/CSC1CCCCCC1 62a_100011217769_100102629194 [0,1,0,1,0,0|1,0,1]=4 22924 B12R1.1414 C/C=C/CSC1CCCCCC1 62a_100102629194_100011217769 [0,1,0,1,0,0|1,0,1]=4 22925 B12R1.1414 C=CCCCN1CCCCCC1 2230a_100000185865_100011713584 [0,1,0,1,0,0|1,0,0]=3 22926 B12R1.1414 C=CCCCN1CCCCCC1 269982a_100000185865_100000757094 [0,1,0,1,0,0|1,0,0]=3 22927 B12R1.1414 C=CCCCN1CCCCCC1 34a_100000185865_100000757094 [0,1,0,1,0,0|1,0,0]=3 22928 B12R1.1414 C=CCCCN1CCCOCC1 2230a_100000685342_100011713584 [0,1,0,1,0,0|2,0,0]=4 22929 B12R1.1414 C=CCCCN1CCCOCC1 269982a_100000685342_100000757094 [0,1,0,1,0,0|2,0,0]=4 22930 B12R1.1414 C=CCCCN1CCCOCC1 34a_100000685342_100000757094 [0,1,0,1,0,0|2,0,0]=4 22931 B12R1.1414 C=CCCNC1CCCCCC1 2230a_100000210984_100000754431 [0,1,0,1,0,0|1,0,0]=3 22932 B12R1.1414 C=CCCNC1CCCCCC1 270004a_100015191253_100000210131 [0,1,0,1,0,0|1,0,0]=3 22933 B12R1.1414 C=CCCNC1CCCCCC1 34a_100000210984_100000754431 [0,1,0,1,0,0|1,0,0]=3 22934 B12R1.1414 C=CCCNC1CCCNCC1 270004a_100015191253_100015187895 [0,1,0,1,0,0|2,0,0]=4 22935 B12R1.1414 C=CCCOC1CCCCCC1 34a_100000210887_100000754431 [0,1,0,1,0,0|1,0,0]=3 22936 B12R1.1414 C=CCCOC1CCCCCC1 34a_100011205117_100011217769 [0,1,0,1,0,0|1,0,0]=3 22937 B12R1.1414 C=CCCOC1CCCCCC1 7a_100000210887_100000754431 [0,1,0,1,0,0|1,0,0]=3 22938 B12R1.1414 C=CCCSC1CCCCCC1 62a_100000754431_100011217769 [0,1,0,1,0,0|1,0,0]=3 22939 B12R1.1414 C=CCCSC1CCCCCC1 62a_100011217769_100000754431 [0,1,0,1,0,0|1,0,0]=3 22940 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100015204231_100000210623 [0,1,0,1,0,0|1,0,0]=3 22941 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100020586998_200000696569 [0,1,0,1,0,0|1,0,0]=3 22942 B12R1.1414 C=CCNCC1CCCCCC1 34a_100015204231_100015514636 [0,1,0,1,0,0|1,0,0]=3 22943 B12R1.1414 C=CCOCC1CCCCCC1 34a_100000699130_100015514636 [0,1,0,1,0,0|1,0,0]=3 22944 B12R1.1414 C=CCOCC1CCCCCC1 34a_200000210373_200000696569 [0,1,0,1,0,0|1,0,0]=3 22945 B12R1.1414 C=CCOCC1CCCCCC1 7a_100000699130_100015514636 [0,1,0,1,0,0|1,0,0]=3 22946 B12R1.1414 C=CCSCC1CCCCCC1 62a_100000210623_200000696569 [0,1,0,1,0,0|1,0,0]=3 22947 B12R1.1414 C=CCSCC1CCCCCC1 62a_200000696569_100000210623 [0,1,0,1,0,0|1,0,0]=3 22948 B12R1.1414 C=COCCN1CCCCCC1 2230a_100000185865_100000039644 [0,1,0,1,0,0|2,0,0]=4 22949 B12R1.1414 C=COCCN1CCCCCC1 269982a_100000185865_100000039644 [0,1,0,1,0,0|2,0,0]=4 22950 B12R1.1414 C=COCCN1CCCCCC1 34a_100000185865_100000039644 [0,1,0,1,0,0|2,0,0]=4 22951 B12R1.1414 CC=CCNC1CCCCCC1 2230a_100000210984_100000070051 [0,1,0,1,0,0|1,0,1]=4 22952 B12R1.1414 CC=CCNC1CCCCCC1 34a_100000210984_100000070051 [0,1,0,1,0,0|1,0,1]=4 22953 B12R1.1414 CC=CCOC1CCCCCC1 34a_100000210887_100000070051 [0,1,0,1,0,0|1,0,1]=4 22954 B12R1.1414 CC=CCOC1CCCCCC1 7a_100000210887_100000070051 [0,1,0,1,0,0|1,0,1]=4 22955 B12R1.1414 CC=CCSC1CCCCCC1 62a_100000070051_100011217769 [0,1,0,1,0,0|1,0,1]=4 22956 B12R1.1414 CC=CCSC1CCCCCC1 62a_100011217769_100000070051 [0,1,0,1,0,0|1,0,1]=4 22957 B12R1.1414 CCCCCN1CCCCCC1 2230a_100000185865_100000210326 [0,1,0,1,0,0|1,0,1]=4 22958 B12R1.1414 CCCCCN1CCCCCC1 269982a_100000185865_100000210215 [0,1,0,1,0,0|1,0,1]=4 22959 B12R1.1414 CCCCCN1CCCCCC1 34a_100000185865_100000718602 [0,1,0,1,0,0|1,0,1]=4 22960 B12R1.1414 CCCCNC1CCCCCC1 2230a_100000210984_100000210211 [0,1,0,1,0,0|1,0,1]=4 22961 B12R1.1414 CCCCNC1CCCCCC1 270004a_100000102301_100000210131 [0,1,0,1,0,0|1,0,1]=4 22962 B12R1.1414 CCCCNC1CCCCCC1 34a_100000210984_100000210210 [0,1,0,1,0,0|1,0,1]=4 22963 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210227_100011217769 [0,1,0,1,0,0|1,0,1]=4 22964 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210887_100000210210 [0,1,0,1,0,0|1,0,1]=4 22965 B12R1.1414 CCCCOC1CCCCCC1 7a_100000210887_100000210211 [0,1,0,1,0,0|1,0,1]=4 22966 B12R1.1414 CCCCSC1CCCCCC1 62a_100000210211_100011217769 [0,1,0,1,0,0|1,0,1]=4 22967 B12R1.1414 CCCCSC1CCCCCC1 62a_100011217769_100000210210 [0,1,0,1,0,0|1,0,1]=4 22968 B12R1.1414 CCCNCC1CCCCCC1 2230a_100015204231_100000210303 [0,1,0,1,0,0|1,0,1]=4 22969 B12R1.1414 CCCNCC1CCCCCC1 269862a_100020643023_200000763224 [0,1,0,1,0,0|1,0,1]=4 22970 B12R1.1414 CCCNCC1CCCCCC1 34a_100015204231_100000210303 [0,1,0,1,0,0|1,0,1]=4 22971 B12R1.1414 CCCOCC1CCCCCC1 34a_100000210258_200000696569 [0,1,0,1,0,0|1,0,1]=4 22972 B12R1.1414 CCCOCC1CCCCCC1 34a_100000699130_100000210303 [0,1,0,1,0,0|1,0,1]=4 22973 B12R1.1414 CCCOCC1CCCCCC1 7a_100000699130_100000210303 [0,1,0,1,0,0|1,0,1]=4 22974 B12R1.1414 CCCSCC1CCCCCC1 62a_100000210303_200000696569 [0,1,0,1,0,0|1,0,1]=4 22975 B12R1.1414 CCCSCC1CCCCCC1 62a_200000696569_100000210303 [0,1,0,1,0,0|1,0,1]=4 22976 B12R1.1414 CCNCCC1CCCCCC1 2230a_100011532351_100000210202 [0,1,0,1,0,0|1,0,1]=4 22977 B12R1.1414 CCNCCC1CCCCCC1 34a_100011532351_100000210202 [0,1,0,1,0,0|1,0,1]=4 22978 B12R1.1414 COCCCN1CCCCCC1 2230a_100000185865_100000740836 [0,1,0,1,0,0|2,0,0]=4 22979 B12R1.1414 COCCCN1CCCCCC1 269982a_100000185865_100000740836 [0,1,0,1,0,0|2,0,0]=4 22980 B12R1.1414 COCCCN1CCCCCC1 34a_100000185865_100000740836 [0,1,0,1,0,0|2,0,0]=4 22981 B12R1.1414 COCCCN1CCCCCC1 34a_100102886287_200000210301 [0,1,0,1,0,0|2,0,0]=4 22982 B12R1.1414 COCCCN1CCCCCC1 7a_100102886287_200000210301 [0,1,0,1,0,0|2,0,0]=4 22983 B12R1.1414 COCCNC1CCCCCC1 2230a_100000210984_100011201679 [0,1,0,1,0,0|2,0,0]=4 22984 B12R1.1414 COCCNC1CCCCCC1 270004a_100000209980_100000210131 [0,1,0,1,0,0|2,0,0]=4 22985 B12R1.1414 COCCNC1CCCCCC1 34a_100000210984_100011201679 [0,1,0,1,0,0|2,0,0]=4 22986 B12R1.1414 COCCOC1CCCCCC1 34a_100000210237_100011217769 [0,1,0,1,0,0|2,0,0]=4 22987 B12R1.1414 COCCOC1CCCCCC1 34a_100000210887_100011201679 [0,1,0,1,0,0|2,0,0]=4 22988 B12R1.1414 COCCOC1CCCCCC1 7a_100000210887_100000233755 [0,1,0,1,0,0|2,0,0]=4 22989 B12R1.1414 COCCSC1CCCCCC1 62a_100000233755_100011217769 [0,1,0,1,0,0|2,0,0]=4 22990 B12R1.1414 COCCSC1CCCCCC1 62a_100011217769_100000233755 [0,1,0,1,0,0|2,0,0]=4 22991 B12R1.1414 COCNCC1CCCCCC1 2230a_100015204231_100000766300 [0,1,0,1,0,0|2,0,0]=4 22992 B12R1.1414 COCSCC1CCCCCC1 62a_100000766300_200000696569 [0,1,0,1,0,0|2,0,0]=4 22993 B12R1.1414 COCSCC1CCCCCC1 62a_200000696569_100000766300 [0,1,0,1,0,0|2,0,0]=4 22994 B12R1.1414 CSCCNC1CCCCCC1 2230a_100000210984_100000751147 [0,1,0,1,0,0|2,0,0]=4 22995 B12R1.1414 CSCCNC1CCCCCC1 270004a_100020590264_100000210131 [0,1,0,1,0,0|2,0,0]=4 22996 B12R1.1414 CSCCNC1CCCCCC1 34a_100000210984_100000212216 [0,1,0,1,0,0|2,0,0]=4 22997 B12R1.1414 CSCCOC1CCCCCC1 34a_100000210887_100000212216 [0,1,0,1,0,0|2,0,0]=4 22998 B12R1.1414 CSCCOC1CCCCCC1 34a_100000230434_100011217769 [0,1,0,1,0,0|2,0,0]=4 22999 B12R1.1414 CSCCOC1CCCCCC1 7a_100000210887_100000212216 [0,1,0,1,0,0|2,0,0]=4 23000 B12R1.1414 CSCCSC1CCCCCC1 62a_100000212216_100011217769 [0,1,0,1,0,0|2,0,0]=4 23001 B12R1.1414 CSCCSC1CCCCCC1 62a_100011217769_100000751147 [0,1,0,1,0,0|2,0,0]=4 23002 B12R1.1414 CSCNCC1CCCCCC1 2230a_100015204231_100011218213 [0,1,0,1,0,0|2,0,0]=4 23003 B12R1.1414 CSCNCC1CCCCCC1 34a_100015204231_100011218213 [0,1,0,1,0,0|2,0,0]=4 23004 B12R1.1414 CSCOCC1CCCCCC1 34a_100000699130_100011218213 [0,1,0,1,0,0|2,0,0]=4 23005 B12R1.1414 CSCSCC1CCCCCC1 62a_100011218213_200000696569 [0,1,0,1,0,0|2,0,0]=4 23006 B12R1.1414 CSCSCC1CCCCCC1 62a_200000696569_100011218213 [0,1,0,1,0,0|2,0,0]=4 23007 B12R1.1414 ClCCCOC1CCCCCC1 34a_100000230001_100011217769 [0,1,0,1,0,0|1,0,1]=4 23008 B12R1.1414 FCCCCN1CCCCCC1 2230a_100000185865_100000729493 [0,1,0,1,0,0|1,0,1]=4 23009 B12R1.1414 FCCCCN1CCCCCC1 269982a_100000185865_100000729493 [0,1,0,1,0,0|1,0,1]=4 23010 B12R1.1414 FCCCCN1CCCCCC1 34a_100000185865_100000729493 [0,1,0,1,0,0|1,0,1]=4 23011 B12R1.1414 FCCCNC1CCCCCC1 2230a_100000210984_100011934791 [0,1,0,1,0,0|1,0,1]=4 23012 B12R1.1414 FCCCNC1CCCCCC1 270004a_100015189416_100000210131 [0,1,0,1,0,0|1,0,1]=4 23013 B12R1.1414 FCCCNC1CCCCCC1 34a_100000210984_100011934791 [0,1,0,1,0,0|1,0,1]=4 23014 B12R1.1414 FCCCNC1CCCCCC1 34a_100015189416_100011217769 [0,1,0,1,0,0|1,0,1]=4 23015 B12R1.1414 FCCCOC1CCCCCC1 34a_100000210887_100011934791 [0,1,0,1,0,0|1,0,1]=4 23016 B12R1.1414 FCCCOC1CCCCCC1 34a_100000759539_100011217769 [0,1,0,1,0,0|1,0,1]=4 23017 B12R1.1414 FCCCOC1CCCCCC1 7a_100000210887_100011934791 [0,1,0,1,0,0|1,0,1]=4 23018 B12R1.1414 FCCCSC1CCCCCC1 62a_100011217769_100011934791 [0,1,0,1,0,0|1,0,1]=4 23019 B12R1.1414 FCCCSC1CCCCCC1 62a_100011934791_100011217769 [0,1,0,1,0,0|1,0,1]=4 23020 B12R1.1414 FCCNCC1CCCCCC1 2230a_100015204231_100011217306 [0,1,0,1,0,0|1,0,1]=4 23021 B12R1.1414 FCCNCC1CCCCCC1 269862a_100000724931_200000763224 [0,1,0,1,0,0|1,0,1]=4 23022 B12R1.1414 FCCNCC1CCCCCC1 34a_100000724931_200000696569 [0,1,0,1,0,0|1,0,1]=4 23023 B12R1.1414 FCCNCC1CCCCCC1 34a_100015204231_100011217306 [0,1,0,1,0,0|1,0,1]=4 23024 B12R1.1414 FCCOCC1CCCCCC1 34a_100000699130_100011217306 [0,1,0,1,0,0|1,0,1]=4 23025 B12R1.1414 FCCOCC1CCCCCC1 7a_100000699130_100011217306 [0,1,0,1,0,0|1,0,1]=4 23026 B12R1.1414 FCCSCC1CCCCCC1 62a_100011217306_200000696569 [0,1,0,1,0,0|1,0,1]=4 23027 B12R1.1414 FCCSCC1CCCCCC1 62a_200000696569_100011217306 [0,1,0,1,0,0|1,0,1]=4 23028 B12R1.1414 FCNCCC1CCCCCC1 34a_100011532351_100015361967 [0,1,0,1,0,0|1,0,1]=4 23029 B12R1.1414 N#CCCCN1CCCCCC1 2230a_100000185865_100000687738 [0,1,0,1,0,0|1,0,1]=4 23030 B12R1.1414 N#CCCCN1CCCCCC1 269982a_100000185865_100000687738 [0,1,0,1,0,0|1,0,1]=4 23031 B12R1.1414 N#CCCNC1CCCCCC1 2230a_100000210984_100011215226 [0,1,0,1,0,0|1,0,1]=4 23032 B12R1.1414 N#CCCNC1CCCCCC1 270004a_100000720768_100000210131 [0,1,0,1,0,0|1,0,1]=4 23033 B12R1.1414 N#CCCOC1CCCCCC1 7a_100000210887_100000184422 [0,1,0,1,0,0|1,0,1]=4 23034 B12R1.1414 N#CCCSC1CCCCCC1 62a_100011215226_100011217769 [0,1,0,1,0,0|1,0,1]=4 23035 B12R1.1414 N#CCCSC1CCCCCC1 62a_100011217769_100011215226 [0,1,0,1,0,0|1,0,1]=4 23036 B12R1.1414 N#CCNCC1CCCCCC1 2230a_100015204231_100011215382 [0,1,0,1,0,0|1,0,1]=4 23037 B12R1.1414 N#CCOCC1CCCCCC1 7a_100000699130_100011215382 [0,1,0,1,0,0|1,0,1]=4 23038 B12R1.1414 N#CCSCC1CCCCCC1 62a_100011215382_200000696569 [0,1,0,1,0,0|1,0,1]=4 23039 B12R1.1414 N#CCSCC1CCCCCC1 62a_200000696569_100011215382 [0,1,0,1,0,0|1,0,1]=4 23040 B12R1.1414 NCCCOC1CCCCCC1 34a_100000182051_100011217769 [0,1,0,1,0,0|1,0,1]=4 23041 B12R1.1414 NCCOCC1CCCCCC1 34a_100000210304_200000696569 [0,1,0,1,0,0|1,0,1]=4 23042 B12R1.1414 NOCCOC1CCCCCC1 34a_100000700252_100011217769 [0,1,0,1,0,0|2,0,0]=4 23043 B12R1.1414 O=CCCCN1CCCCCC1 2230a_100000185865_200011292268 [0,1,0,1,0,0|0,0,0]=2 23044 B12R1.1414 O=CCCCN1CCCCCC1 269982a_100000185865_200011292268 [0,1,0,1,0,0|0,0,0]=2 23045 B12R1.1414 O=CCCCN1CCCOCC1 2230a_100000685342_200011292268 [0,1,0,1,0,0|1,0,0]=3 23046 B12R1.1414 O=CCCCN1CCCOCC1 269982a_100000685342_200011292268 [0,1,0,1,0,0|1,0,0]=3 23047 B12R1.1414 O=CCNCC1CCCCCC1 2230a_100015204231_200015260668 [0,1,0,1,0,0|0,0,0]=2 23048 B12R1.1414 O=CCNCC1CCCCCC1 34a_100015204231_200009817547 [0,1,0,1,0,0|0,0,0]=2 23049 B12R1.1414 O=CCOCC1CCCCCC1 34a_100000699130_200009817547 [0,1,0,1,0,0|0,0,0]=2 23050 B12R1.1414 O=CCOCC1CCCCCC1 7a_100000699130_200015260668 [0,1,0,1,0,0|0,0,0]=2 23051 B12R1.1414 O=CCOCC1CNCCOC1 34a_100103147999_200009817547 [0,1,0,1,0,0|2,0,0]=4 23052 B12R1.1414 O=CCSCC1CCCCCC1 62a_200000696569_200015260668 [0,1,0,1,0,0|0,0,0]=2 23053 B12R1.1414 O=CCSCC1CCCCCC1 62a_200015260668_200000696569 [0,1,0,1,0,0|0,0,0]=2 23054 B12R1.1414 OCCCCN1CCCCCC1 2230a_100000185865_100000210776 [0,1,0,1,0,0|0,0,2]=4 23055 B12R1.1414 OCCCCN1CCCCCC1 269982a_100000185865_100000210776 [0,1,0,1,0,0|0,0,2]=4 23056 B12R1.1414 OCCCCN1CCCCCC1 34a_100000185865_100011216708 [0,1,0,1,0,0|0,0,2]=4 23057 B12R1.1414 OCCCNC1CCCCCC1 2230a_100000210984_100000230001 [0,1,0,1,0,0|0,0,2]=4 23058 B12R1.1414 OCCCNC1CCCCCC1 270004a_100000182051_100000210131 [0,1,0,1,0,0|0,0,2]=4 23059 B12R1.1414 OCCCNC1CCCCCC1 34a_100000210984_100000230001 [0,1,0,1,0,0|0,0,2]=4 23060 B12R1.1414 OCCCOC1CCCCCC1 34a_100000210887_100000230001 [0,1,0,1,0,0|0,0,2]=4 23061 B12R1.1414 OCCCOC1CCCCCC1 7a_100000210887_100011215043 [0,1,0,1,0,0|0,0,2]=4 23062 B12R1.1414 OCCCSC1CCCCCC1 62a_100011215043_100011217769 [0,1,0,1,0,0|0,0,2]=4 23063 B12R1.1414 OCCCSC1CCCCCC1 62a_100011217769_100011215043 [0,1,0,1,0,0|0,0,2]=4 23064 B12R1.1414 OCCNCC1CCCCCC1 2230a_100015204231_100000211926 [0,1,0,1,0,0|0,0,2]=4 23065 B12R1.1414 OCCNCC1CCCCCC1 2230a_100016997473_200000696569 [0,1,0,1,0,0|0,0,2]=4 23066 B12R1.1414 OCCNCC1CCCCCC1 269862a_100000210304_200000763224 [0,1,0,1,0,0|0,0,2]=4 23067 B12R1.1414 OCCNCC1CCCCCC1 34a_100015204231_100000211926 [0,1,0,1,0,0|0,0,2]=4 23068 B12R1.1414 OCCNCC1CCCCCC1 34a_100016990907_200000696569 [0,1,0,1,0,0|0,0,2]=4 23069 B12R1.1414 OCCOCC1CCCCCC1 34a_100000699130_100000211926 [0,1,0,1,0,0|0,0,2]=4 23070 B12R1.1414 OCCOCC1CCCCCC1 7a_100000699130_100000211926 [0,1,0,1,0,0|0,0,2]=4 23071 B12R1.1414 OCCSCC1CCCCCC1 62a_100000211926_200000696569 [0,1,0,1,0,0|0,0,2]=4 23072 B12R1.1414 OCCSCC1CCCCCC1 62a_200000696569_100000211926 [0,1,0,1,0,0|0,0,2]=4 23073 B12R1.1414 [13CH3]OCCCN1CCCCCC1 34a_100102886287_200025704644 [0,1,0,1,0,0|2,0,0]=4 23074 B12R1.1414 [13CH3]OCCCN1CCCCCC1 7a_100102886287_200025704644 [0,1,0,1,0,0|2,0,0]=4 23075 B12R1.28 C=CCCCN1CCCC(C1)F 2230a_100000697950_100011713584 [0,1,0,1,0,0|2,0,0]=4 23076 B12R1.28 C=CCCCN1CCCC(C1)F 269982a_100000697950_100000757094 [0,1,0,1,0,0|2,0,0]=4 23077 B12R1.28 C=CCCCN1CCCC(C1)F 34a_100000697950_100000757094 [0,1,0,1,0,0|2,0,0]=4 23078 B12R1.28 C=CCCCN1CCCC(C1)O 2230a_100000211013_100011713584 [0,1,0,1,0,0|2,0,0]=4 23079 B12R1.28 C=CCCCN1CCCC(C1)O 269982a_100000211013_100000757094 [0,1,0,1,0,0|2,0,0]=4 23080 B12R1.28 C=CCCCN1CCC[C@@H](C1)C 2230a_100000717927_100011713584 [0,1,0,1,0,0|2,0,0]=4 23081 B12R1.28 C=CCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000757094 [0,1,0,1,0,0|2,0,0]=4 23082 B12R1.28 C=CCCCN1CCC[C@@H](C1)C 34a_100000717927_100000757094 [0,1,0,1,0,0|2,0,0]=4 23083 B12R1.28 C=CCCNC1CCCC(C1)C 2230a_100011194320_100000754431 [0,1,0,1,0,0|2,0,0]=4 23084 B12R1.28 C=CCCNC1CCCC(C1)C 270004a_100015191253_100000183594 [0,1,0,1,0,0|2,0,0]=4 23085 B12R1.28 C=CCCNC1CCCC(C1)C 34a_100011194320_100000754431 [0,1,0,1,0,0|2,0,0]=4 23086 B12R1.28 C=CCCNC1CCCC(C1)O 2230a_100015190357_100000754431 [0,1,0,1,0,0|2,0,0]=4 23087 B12R1.28 C=CCCNC1CCCC(C1)O 270004a_100015191253_100012613340 [0,1,0,1,0,0|2,0,0]=4 23088 B12R1.28 C=CCCOC1CCCC(C1)C 34a_100000211399_100000754431 [0,1,0,1,0,0|2,0,0]=4 23089 B12R1.28 C=CCNCC1CCCC(C1)O 2230a_100011254705_100000210623 [0,1,0,1,0,0|2,0,0]=4 23090 B12R1.28 CC1CN(CCO1)CCCC=O 2230a_100000729577_200011292268 [0,1,0,1,0,0|2,0,0]=4 23091 B12R1.28 CC1CN(CCO1)CCCC=O 269982a_100000729577_200011292268 [0,1,0,1,0,0|2,0,0]=4 23092 B12R1.28 CC1CNCC(C1)COCC=O 34a_200012821172_200009817547 [0,1,0,1,0,0|2,0,0]=4 23093 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,1,0,1,0,0|2,0,0]=4 23094 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,1,0,1,0,0|2,0,0]=4 23095 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,1,0,1,0,0|2,0,0]=4 23096 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,1,0,1,0,0|2,0,0]=4 23097 B12R1.28 CCCCOC1C=C(CCC1)C 34a_100011218613_100000210210 [0,1,0,1,0,0|2,0,0]=4 23098 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,1,0,1,0,0|1,0,0]=3 23099 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,1,0,1,0,0|2,0,0]=4 23100 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [0,1,0,1,0,0|1,0,0]=3 23101 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,1,0,1,0,0|2,0,0]=4 23102 B12R1.28 CCCOCC1COCC(=O)N1 34a_200000101122_100000210303 [0,1,0,1,0,0|2,0,0]=4 23103 B12R1.28 CN1CCCC(C1)CSCC=O 62a_100000752043_200015260668 [0,1,0,1,0,0|2,0,0]=4 23104 B12R1.28 CN1CCCC(C1)CSCC=O 62a_200015260668_100000752043 [0,1,0,1,0,0|2,0,0]=4 23105 B12R1.28 COCCOC1CCCC(=O)C1 34a_100012613340_100011201679 [0,1,0,1,0,0|2,0,0]=4 23106 B12R1.28 CSCCOC1CCCC(=O)C1 34a_100012613340_100000212216 [0,1,0,1,0,0|2,0,0]=4 23107 B12R1.28 CSCOCC1CCCC(=O)N1 34a_200000102386_100011218213 [0,1,0,1,0,0|2,0,0]=4 23108 B12R1.28 C[C@H]1CCCN(C1)CCCC=O 2230a_100000717927_200011292268 [0,1,0,1,0,0|1,0,0]=3 23109 B12R1.28 C[C@H]1CCCN(C1)CCCC=O 269982a_100000717927_200011292268 [0,1,0,1,0,0|1,0,0]=3 23110 B12R1.28 O=C1CCCC(C1)OCCCF 34a_100012613340_100011934791 [0,1,0,1,0,0|2,0,0]=4 23111 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,1,0,1,0,0|2,0,0]=4 23112 B12R1.28 O=C1CCCC(N1)COCCF 34a_200000102386_100011217306 [0,1,0,1,0,0|2,0,0]=4 23113 B12R1.28 O=C1CCCC(N1)COCCO 34a_200000102386_100000211926 [0,1,0,1,0,0|2,0,0]=4 23114 B12R1.28 O=CCCCN1CCCC(C1)F 2230a_100000697950_200011292268 [0,1,0,1,0,0|1,0,0]=3 23115 B12R1.28 O=CCCCN1CCCC(C1)F 269982a_100000697950_200011292268 [0,1,0,1,0,0|1,0,0]=3 23116 B12R1.28 O=CCCCN1CCCC(C1)O 2230a_100000211013_200011292268 [0,1,0,1,0,0|1,0,0]=3 23117 B12R1.28 O=CCCCN1CCCC(C1)O 269982a_100000211013_200011292268 [0,1,0,1,0,0|1,0,0]=3 23118 B12R1.28 O=CCCCN1CCOC(C1)O 2230a_100000688207_200011292268 [0,1,0,1,0,0|2,0,0]=4 23119 B12R1.28 O=CCCCN1CCOC(C1)O 269982a_100000688207_200011292268 [0,1,0,1,0,0|2,0,0]=4 23120 B12R1.28 O=CCNCC1CCCC(C1)O 2230a_100011254705_200015260668 [0,1,0,1,0,0|1,0,0]=3 23121 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000210193_100000211423 [0,1,0,1,0,0|1,0,1]=4 23122 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000211666_100000210623 [0,1,0,1,0,0|1,0,1]=4 23123 B12R1.32 C=CCN(C)CC1CCCCC1 2230a_100000201375_200000210301 [0,1,0,1,0,0|2,0,0]=4 23124 B12R1.32 C=CCN(C)CC1CCCCC1 2230a_100000225617_100000211423 [0,1,0,1,0,0|2,0,0]=4 23125 B12R1.32 C=CCN(C)CC1CCCCC1 2230a_100000736448_100000210623 [0,1,0,1,0,0|2,0,0]=4 23126 B12R1.32 C=CCN(C)CC1CCCCC1 269982a_100000201375_200000210301 [0,1,0,1,0,0|2,0,0]=4 23127 B12R1.32 C=CCN(C)CC1CCCCC1 269982a_100000225617_100000211423 [0,1,0,1,0,0|2,0,0]=4 23128 B12R1.32 C=CCN(C)CC1CCCCC1 269982a_100000736448_100000210623 [0,1,0,1,0,0|2,0,0]=4 23129 B12R1.32 C=CCN(C)CC1CCCCC1 34a_100000201375_200000210301 [0,1,0,1,0,0|2,0,0]=4 23130 B12R1.32 C=CCN(C)CC1CCCCC1 34a_100000736448_100015514636 [0,1,0,1,0,0|2,0,0]=4 23131 B12R1.32 C=CCN([13CH3])CC1CCCCC1 2230a_100000201375_200025704644 [0,1,0,1,0,0|2,0,0]=4 23132 B12R1.32 C=CCN([13CH3])CC1CCCCC1 269982a_100000201375_200025704644 [0,1,0,1,0,0|2,0,0]=4 23133 B12R1.32 C=CCN([13CH3])CC1CCCCC1 34a_100000201375_200025704644 [0,1,0,1,0,0|2,0,0]=4 23134 B12R1.32 C=CC[C@@H](C)OC1CCCCC1 34a_100000731007_100000210327 [0,1,0,1,0,0|2,0,0]=4 23135 B12R1.32 C=CC[C@@H](C)OC1CCCCC1 7a_100000731007_100000210327 [0,1,0,1,0,0|2,0,0]=4 23136 B12R1.32 CCCC(C)NC1C=CCCC1 2230a_100000741246_100000751183 [0,1,0,1,0,0|2,0,0]=4 23137 B12R1.32 CCCC(C)OC1C=CCCC1 34a_100011215024_100000766640 [0,1,0,1,0,0|2,0,0]=4 23138 B12R1.32 CCCC(C)OC1C=CCCC1 7a_100000764384_100000751183 [0,1,0,1,0,0|2,0,0]=4 23139 B12R1.32 CCCC(C)SC1C=CCCC1 62a_100000751183_100000766640 [0,1,0,1,0,0|2,0,0]=4 23140 B12R1.32 CCCC(C)SC1C=CCCC1 62a_100000766640_100000751183 [0,1,0,1,0,0|2,0,0]=4 23141 B12R1.32 CN(CC=O)CC1CCCCC1 2230a_100000736448_200015260668 [0,1,0,1,0,0|1,0,0]=3 23142 B12R1.32 CN(CC=O)CC1CCCCC1 269982a_100000736448_200015260668 [0,1,0,1,0,0|1,0,0]=3 23143 B12R1.32 CN(CC=O)CC1CCCCC1 34a_100000736448_200009817547 [0,1,0,1,0,0|1,0,0]=3 23144 B12R1.32 CN(CC=O)CC1CCCCO1 2230a_100000225654_200015260668 [0,1,0,1,0,0|2,0,0]=4 23145 B12R1.32 CN(CC=O)CC1CCCCO1 269982a_100000225654_200015260668 [0,1,0,1,0,0|2,0,0]=4 23146 B12R1.32 CN(CC=O)CC1CCCCO1 34a_100000225654_200009817547 [0,1,0,1,0,0|2,0,0]=4 23147 B12R1.32 CN(CC=O)CC1CCOCC1 2230a_100025706683_200015260668 [0,1,0,1,0,0|2,0,0]=4 23148 B12R1.32 CN(CC=O)CC1CCOCC1 269982a_100025706683_200015260668 [0,1,0,1,0,0|2,0,0]=4 23149 B12R1.32 CN(CC=O)CC1CCOCC1 34a_100025706683_200009817547 [0,1,0,1,0,0|2,0,0]=4 23150 B12R1.32 CN(CC=O)CC1CCSCC1 2230a_100011935259_200015260668 [0,1,0,1,0,0|2,0,0]=4 23151 B12R1.32 CN(CC=O)CC1CCSCC1 269982a_100011935259_200015260668 [0,1,0,1,0,0|2,0,0]=4 23152 B12R1.32 CN(CC=O)CC1CCSCC1 34a_100011935259_200009817547 [0,1,0,1,0,0|2,0,0]=4 23153 B12R1.32 COC[C@@H](N)CC1CCCCC1 34a_100015184289_200000210301 [0,1,0,1,0,0|2,0,0]=4 23154 B12R1.32 [13CH3]OC[C@@H](N)CC1CCCCC1 34a_100015184289_200025704644 [0,1,0,1,0,0|2,0,0]=4 23155 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000210193_100000760354 [0,1,0,1,0,0|1,0,1]=4 23156 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000211120_100000210623 [0,1,0,1,0,0|1,0,1]=4 23157 B12R1.51 C=CCC(C)COC1CCCC1 34a_100009832082_100000179811 [0,1,0,1,0,0|2,0,0]=4 23158 B12R1.51 C=CCC(C)COC1CCCC1 7a_100009832082_100000179811 [0,1,0,1,0,0|2,0,0]=4 23159 B12R1.51 C=CCN(C)CCC1CCCC1 2230a_100000225617_100000760354 [0,1,0,1,0,0|2,0,0]=4 23160 B12R1.51 C=CCN(C)CCC1CCCC1 269982a_100000225617_100000760354 [0,1,0,1,0,0|2,0,0]=4 23161 B12R1.51 C=CC[C@@H](C)OCC1CCCC1 34a_100000731007_100000740388 [0,1,0,1,0,0|2,0,0]=4 23162 B12R1.51 C=CC[C@@H](C)OCC1CCCC1 7a_100000731007_100000740388 [0,1,0,1,0,0|2,0,0]=4 23163 B12R1.51 C=CC[C@@H](N)COC1CCCC1 34a_100020615467_100000179811 [0,1,0,1,0,0|2,0,0]=4 23164 B12R1.51 CN(CC=O)CCN1CCCC1 2230a_100000225677_200015260668 [0,1,0,1,0,0|2,0,0]=4 23165 B12R1.51 CN(CC=O)CCN1CCCC1 269982a_100000225677_200015260668 [0,1,0,1,0,0|2,0,0]=4 23166 B12R1.62 C=C1CC(C1)CNCCCC=O 2230a_100102567296_200011292268 [0,1,0,1,0,0|1,0,1]=4 23167 B12R1.62 C=C1CC(C1)CNCCCCC 2230a_100102567296_100000210326 [0,1,0,1,0,0|2,0,0]=4 23168 B12R1.62 C=C1CC(C1)CNCCCCC 34a_100102567296_100000718602 [0,1,0,1,0,0|2,0,0]=4 23169 B12R1.62 C=C1CC(C1)COCCCCC 34a_100011011225_100000718602 [0,1,0,1,0,0|2,0,0]=4 23170 B12R1.62 C=C1CC(C1)NCCCCC=O 2230a_100132301982_100000139335 [0,1,0,1,0,0|1,0,1]=4 23171 B12R1.62 C=C1CC(C1)NCCCCCC 2230a_100132301982_100000210314 [0,1,0,1,0,0|2,0,0]=4 23172 B12R1.62 C=CCCCCCN1CC(C1)C 2230a_100000702820_100000700193 [0,1,0,1,0,0|2,0,0]=4 23173 B12R1.62 C=CCCCCCN1CC(C1)C 269982a_100000702820_100000700193 [0,1,0,1,0,0|2,0,0]=4 23174 B12R1.62 C=CCCCCCN1CC(C1)C 34a_100000702820_100000700193 [0,1,0,1,0,0|2,0,0]=4 23175 B12R1.62 C=CCCCCCN1CC(C1)F 2230a_100000690557_100000700193 [0,1,0,1,0,0|2,0,0]=4 23176 B12R1.62 C=CCCCCCN1CC(C1)F 269982a_100000690557_100000700193 [0,1,0,1,0,0|2,0,0]=4 23177 B12R1.62 C=CCCCCCN1CC(C1)F 34a_100000690557_100000700193 [0,1,0,1,0,0|2,0,0]=4 23178 B12R1.62 C=CCCCCCN1CC(C1)O 269982a_100000749847_100000700193 [0,1,0,1,0,0|2,0,0]=4 23179 B12R1.62 C=CCCCCNC1CC(C1)F 2230a_100016993743_100011215482 [0,1,0,1,0,0|2,0,0]=4 23180 B12R1.62 C=CCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215482 [0,1,0,1,0,0|2,0,0]=4 23181 B12R1.62 C=CCCCNCC1CC(C1)O 2230a_100016992100_100011713584 [0,1,0,1,0,0|2,0,0]=4 23182 B12R1.62 C=CCCCOCC1CC(C1)Cl 34a_100009874164_100000757094 [0,1,0,1,0,0|2,0,0]=4 23183 B12R1.62 CC1CN(C1)CCCCCC=O 2230a_100000702820_100000139337 [0,1,0,1,0,0|1,0,0]=3 23184 B12R1.62 CC1CN(C1)CCCCCC=O 269982a_100000702820_100000139337 [0,1,0,1,0,0|1,0,0]=3 23185 B12R1.62 CCCCCCSC1CC(=O)C1 62a_100009894365_100000210757 [0,1,0,1,0,0|1,0,0]=3 23186 B12R1.62 CCCCCNCC1CC(=O)C1 2230a_100000209983_100009874392 [0,1,0,1,0,0|1,0,0]=3 23187 B12R1.62 CCCCCOCC1CC(=O)C1 34a_100000101936_100000718602 [0,1,0,1,0,0|1,0,0]=3 23188 B12R1.62 CCCCCOCC1CC(=O)C1 7a_100000210253_100009874392 [0,1,0,1,0,0|1,0,0]=3 23189 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100000210326_100009874392 [0,1,0,1,0,0|1,0,0]=3 23190 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100009874392_100000210326 [0,1,0,1,0,0|1,0,0]=3 23191 B12R1.62 CCCCOCSC1CC(=O)C1 62a_100009894365_100011995733 [0,1,0,1,0,0|2,0,0]=4 23192 B12R1.62 CCCOCCSC1CC(=O)C1 62a_100009894365_100011215938 [0,1,0,1,0,0|2,0,0]=4 23193 B12R1.62 CCOCCCSC1CC(=O)C1 62a_100009894365_100012232248 [0,1,0,1,0,0|2,0,0]=4 23194 B12R1.62 CCOCCNCC1CC(=O)C1 2230a_102516460346_100009874392 [0,1,0,1,0,0|2,0,0]=4 23195 B12R1.62 CCOCCOCC1CC(=O)C1 34a_100000101936_100000210147 [0,1,0,1,0,0|2,0,0]=4 23196 B12R1.62 CCOCCOCC1CC(=O)C1 7a_100000210136_100009874392 [0,1,0,1,0,0|2,0,0]=4 23197 B12R1.62 CCOCCSCC1CC(=O)C1 62a_100000210147_100009874392 [0,1,0,1,0,0|2,0,0]=4 23198 B12R1.62 CCOCCSCC1CC(=O)C1 62a_100009874392_100011215890 [0,1,0,1,0,0|2,0,0]=4 23199 B12R1.62 CCSCCNCC1CC(=O)C1 2230a_100000106463_100009874392 [0,1,0,1,0,0|2,0,0]=4 23200 B12R1.62 CCSCCOCC1CC(=O)C1 34a_100000101936_100000757381 [0,1,0,1,0,0|2,0,0]=4 23201 B12R1.62 CCSCCOCC1CC(=O)C1 7a_100000212035_100009874392 [0,1,0,1,0,0|2,0,0]=4 23202 B12R1.62 CCSCCSCC1CC(=O)C1 62a_100000757381_100009874392 [0,1,0,1,0,0|2,0,0]=4 23203 B12R1.62 CCSCCSCC1CC(=O)C1 62a_100009874392_100000757381 [0,1,0,1,0,0|2,0,0]=4 23204 B12R1.62 COCCCCSC1CC(=O)C1 62a_100009894365_100000730899 [0,1,0,1,0,0|2,0,0]=4 23205 B12R1.62 COCCCOCC1CC(=O)C1 34a_100000101936_100000740836 [0,1,0,1,0,0|2,0,0]=4 23206 B12R1.62 COCCCSCC1CC(=O)C1 62a_100000709357_100009874392 [0,1,0,1,0,0|2,0,0]=4 23207 B12R1.62 COCCCSCC1CC(=O)C1 62a_100009874392_100000709357 [0,1,0,1,0,0|2,0,0]=4 23208 B12R1.62 CSCCCNCC1CC(=O)C1 2230a_100000749238_100009874392 [0,1,0,1,0,0|2,0,0]=4 23209 B12R1.62 CSCCCOCC1CC(=O)C1 7a_100000690336_100009874392 [0,1,0,1,0,0|2,0,0]=4 23210 B12R1.62 O=C1CC(C1)CNCCCCO 2230a_100000750430_100009874392 [0,1,0,1,0,0|2,0,0]=4 23211 B12R1.62 O=C1CC(C1)COCCCCCl 7a_100000210776_100009874392 [0,1,0,1,0,0|2,0,0]=4 23212 B12R1.62 O=C1CC(C1)COCCCCF 34a_100000101936_100000729493 [0,1,0,1,0,0|2,0,0]=4 23213 B12R1.62 O=C1CC(C1)COCCCCF 7a_100011995726_100009874392 [0,1,0,1,0,0|2,0,0]=4 23214 B12R1.62 O=C1CC(C1)COCCCCO 34a_100000101936_100011216708 [0,1,0,1,0,0|2,0,0]=4 23215 B12R1.62 O=C1CC(C1)CSCCCCF 62a_100000729493_100009874392 [0,1,0,1,0,0|2,0,0]=4 23216 B12R1.62 O=C1CC(C1)CSCCCCF 62a_100009874392_100000729493 [0,1,0,1,0,0|2,0,0]=4 23217 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100000210776_100009874392 [0,1,0,1,0,0|2,0,0]=4 23218 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100009874392_100000210776 [0,1,0,1,0,0|2,0,0]=4 23219 B12R1.62 O=C1CC(C1)SCCCCCF 62a_100009894365_100000729378 [0,1,0,1,0,0|2,0,0]=4 23220 B12R1.62 O=C1CC(C1)SCCCCCO 62a_100009894365_100000746330 [0,1,0,1,0,0|2,0,0]=4 23221 B12R1.62 O=CCCCCCN1CC(C1)F 2230a_100000690557_100000139337 [0,1,0,1,0,0|1,0,0]=3 23222 B12R1.62 O=CCCCCCN1CC(C1)F 269982a_100000690557_100000139337 [0,1,0,1,0,0|1,0,0]=3 23223 B12R1.62 O=CCCCCCN1CC(C1)O 269982a_100000749847_100000139337 [0,1,0,1,0,0|1,0,0]=3 23224 B12R1.62 O=CCCCCNC1CC(C1)F 2230a_100016993743_100000139335 [0,1,0,1,0,0|1,0,0]=3 23225 B12R1.62 O=CCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000139335 [0,1,0,1,0,0|1,0,0]=3 23226 B12R1.62 O=CCCCCSC1CC(=O)C1 62a_100009894365_100000139335 [0,1,0,1,0,0|1,0,1]=4 23227 B12R1.62 O=CCCCNCC1CC(C1)O 2230a_100016992100_200011292268 [0,1,0,1,0,0|1,0,0]=3 23228 B12R1.62 O=CCCCSCC1CC(=O)C1 62a_100009874392_200011292268 [0,1,0,1,0,0|1,0,1]=4 23229 B12R1.62 O=CCCCSCC1CC(=O)C1 62a_200011292268_100009874392 [0,1,0,1,0,0|1,0,1]=4 23230 B12R1.69 C=CCOC1CCC(CC1C)C 34a_100011539931_100015514636 [0,1,0,1,0,0|2,0,0]=4 23231 B12R1.69 C=CCOC1CCC(CC1C)C 7a_100011539931_100015514636 [0,1,0,1,0,0|2,0,0]=4 23232 B12R1.69 CC1CCC(C(C1)C)OCC=O 34a_100011539931_200009817547 [0,1,0,1,0,0|1,0,0]=3 23233 B12R1.69 CC1CCC(C(C1)C)OCC=O 7a_100011539931_200015260668 [0,1,0,1,0,0|1,0,0]=3 23234 B12R1.278 CCOC1CCCN(C1)CC=O 2230a_100000745229_200015260668 [0,1,0,1,0,0|2,0,0]=4 23235 B12R1.278 CCOC1CCCN(C1)CC=O 269982a_100000745229_200015260668 [0,1,0,1,0,0|2,0,0]=4 23236 B12R1.278 CCOC1CCCN(C1)CC=O 34a_100000745229_200009817547 [0,1,0,1,0,0|2,0,0]=4 23237 B12R1.278 COCC1CCCN(C1)CC=O 2230a_100000755410_200015260668 [0,1,0,1,0,0|2,0,0]=4 23238 B12R1.278 COCC1CCCN(C1)CC=O 269982a_100000755410_200015260668 [0,1,0,1,0,0|2,0,0]=4 23239 B12R1.278 COCC1CCCN(C1)CC=O 34a_100000755410_200009817547 [0,1,0,1,0,0|2,0,0]=4 23240 B12R1.278 O=CCN1CCCC(C1)CCO 2230a_100000752241_200015260668 [0,1,0,1,0,0|2,0,0]=4 23241 B12R1.278 O=CCN1CCCC(C1)CCO 269982a_100000752241_200015260668 [0,1,0,1,0,0|2,0,0]=4 23242 B12R1.278 O=CCN1CCCC(C1)CCO 34a_100000752241_200009817547 [0,1,0,1,0,0|2,0,0]=4 23243 B12R1.308 C=CCC(=O)C1CCCCC1C 1458a_100011215568_100000210623 [0,1,0,1,0,0|1,0,1]=4 23244 B12R1.308 C=CCN(C)C1CCCCC1C 270004a_100000225617_100000210921 [0,1,0,1,0,0|2,0,0]=4 23245 B12R1.308 CCCC(=O)C1CCCCC1=O 1458a_100000211992_100000204591 [0,1,0,1,0,0|0,0,1]=3 23246 B12R1.308 CCCC(=O)C1CCCNC1=O 1458a_100000087122_100000210303 [0,1,0,1,0,0|1,0,1]=4 23247 B12R1.308 CCCC(=O)C1CCCNC1=O 1458a_100000211992_100000687798 [0,1,0,1,0,0|1,0,1]=4 23248 B12R1.308 CCCC(=O)C1COCCC1=O 1458a_100000211992_100012180262 [0,1,0,1,0,0|1,0,1]=4 23249 B12R1.308 CCCN(C)C1CCCCC1=O 269982a_100000747261_100000204591 [0,1,0,1,0,0|1,0,0]=3 23250 B12R1.308 CCCN(C)C1CCCNC1=O 2230a_100000747261_100000687798 [0,1,0,1,0,0|2,0,0]=4 23251 B12R1.308 CCCN(C)C1CCCNC1=O 269982a_100000747261_100000687798 [0,1,0,1,0,0|2,0,0]=4 23252 B12R1.308 CN(CC=O)[C@@H]1CCCC[C@H]1O 269982a_100000708425_200015260668 [0,1,0,1,0,0|2,0,0]=4 23253 B12R1.308 CN(CCO)C1CCCCC1=O 269982a_100000210263_100000204591 [0,1,0,1,0,0|2,0,0]=4 23254 B12R1.308 COCC(=O)C1CCCCC1=O 1458a_100000210968_100000204591 [0,1,0,1,0,0|1,0,1]=4 23255 B12R1.308 CSCC(=O)C1CCCCC1=O 1458a_100000184570_100000204591 [0,1,0,1,0,0|1,0,1]=4 23256 B12R1.308 O=C(CCO)C1CCCCC1=O 1458a_100011216618_100000204591 [0,1,0,1,0,0|1,0,1]=4 23257 B12R1.310 C=CCC(C)COCCC1CC1 34a_100009832082_100000694398 [0,1,0,1,0,0|2,0,0]=4 23258 B12R1.310 C=CCC(C)COCCC1CC1 7a_100009832082_100000764125 [0,1,0,1,0,0|2,0,0]=4 23259 B12R1.310 C=CC[C@@H](N)COCCC1CC1 34a_100020615467_100000694398 [0,1,0,1,0,0|2,0,0]=4 23260 B12R1.311 CC(CCN)COC1CCC1=O 34a_106354213184_100009892977 [0,1,0,1,0,0|2,0,0]=4 23261 B12R1.311 CCCC(=O)CCC1CCC1=O 1458a_100000211992_200016118888 [0,1,0,1,0,0|0,0,1]=3 23262 B12R1.311 CCCC(=O)CSC1CCC1=O 62a_100000747444_100009892977 [0,1,0,1,0,0|1,0,1]=4 23263 B12R1.311 CCCC(=O)CSC1CCC1=O 62a_100009892977_100000747444 [0,1,0,1,0,0|1,0,1]=4 23264 B12R1.311 CCCC(C)COC1CCC1=O 34a_100000688023_100009892977 [0,1,0,1,0,0|1,0,0]=3 23265 B12R1.311 CCCC(C)COC1CCC1=O 7a_100000688023_100009892977 [0,1,0,1,0,0|1,0,0]=3 23266 B12R1.311 CCCC(C)CSC1CCC1=O 62a_100009892977_100011216630 [0,1,0,1,0,0|1,0,0]=3 23267 B12R1.311 CCCC(C)CSC1CCC1=O 62a_100011216630_100009892977 [0,1,0,1,0,0|1,0,0]=3 23268 B12R1.311 CCCN(C)CCC1CCC1=O 2230a_100000747261_200016118888 [0,1,0,1,0,0|1,0,0]=3 23269 B12R1.311 CCCN(C)CCC1CCC1=O 269982a_100000747261_200016118888 [0,1,0,1,0,0|1,0,0]=3 23270 B12R1.311 CCC[C@H](N)COC1CCC1=O 34a_100000732646_100009892977 [0,1,0,1,0,0|1,0,0]=3 23271 B12R1.311 CN(CCO)CCC1CCC1=O 2230a_100000210263_200016118888 [0,1,0,1,0,0|2,0,0]=4 23272 B12R1.311 CN(CCO)CCC1CCC1=O 269982a_100000210263_200016118888 [0,1,0,1,0,0|2,0,0]=4 23273 B12R1.311 COCC(=O)CCC1CCC1=O 1458a_100000210968_200016118888 [0,1,0,1,0,0|1,0,1]=4 23274 B12R1.311 COCC(N)COC1CCC1=O 34a_100000724102_100009892977 [0,1,0,1,0,0|2,0,0]=4 23275 B12R1.311 COCC(O)CNC1CCC1=O 34a_100000756049_100009892977 [0,1,0,1,0,0|2,0,0]=4 23276 B12R1.311 COCC(O)CSC1CCC1=O 62a_100009892977_100011215053 [0,1,0,1,0,0|2,0,0]=4 23277 B12R1.311 COCC(O)CSC1CCC1=O 62a_100011215053_100009892977 [0,1,0,1,0,0|2,0,0]=4 23278 B12R1.311 CSCC(=O)CCC1CCC1=O 1458a_100000184570_200016118888 [0,1,0,1,0,0|1,0,1]=4 23279 B12R1.311 O=C(CCO)CCC1CCC1=O 1458a_100011216618_200016118888 [0,1,0,1,0,0|1,0,1]=4 23280 B12R1.315 C=CCC(C)COCC1CCC1 34a_100009832082_100000763275 [0,1,0,1,0,0|2,0,0]=4 23281 B12R1.315 C=CCC(C)COCC1CCC1 7a_100009832082_100000763275 [0,1,0,1,0,0|2,0,0]=4 23282 B12R1.315 C=CC[C@@H](N)COCC1CCC1 34a_100020615467_100000763275 [0,1,0,1,0,0|2,0,0]=4 23283 B12R1.316 C=CCN(C)C1CCCC1CC 270004a_100000225617_100000749056 [0,1,0,1,0,0|2,0,0]=4 23284 B12R1.318 CC(CCBr)OC1CCCC1=O 34a_100012276601_100000709159 [0,1,0,1,0,0|2,0,0]=4 23285 B12R1.318 CC(CCO)OC1CCCC1=O 34a_200000719330_100009893172 [0,1,0,1,0,0|2,0,0]=4 23286 B12R1.318 CC(CCO)SC1CCCC1=O 62a_100000211823_100009893172 [0,1,0,1,0,0|2,0,0]=4 23287 B12R1.318 CC(CCO)SC1CCCC1=O 62a_100009893172_100000211823 [0,1,0,1,0,0|2,0,0]=4 23288 B12R1.318 CCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210303 [0,1,0,1,0,0|1,0,1]=4 23289 B12R1.318 CCCC(C)NC1CCCC1=O 2230a_100000741246_100000211823 [0,1,0,1,0,0|1,0,0]=3 23290 B12R1.318 CCCC(C)NC1CCNC1=O 2230a_100016995588_100000766640 [0,1,0,1,0,0|2,0,0]=4 23291 B12R1.318 CCCC(C)NC1CCNC1=O 270004a_100016995588_100000211909 [0,1,0,1,0,0|2,0,0]=4 23292 B12R1.318 CCCC(C)NC1CCNC1=O 34a_100016995588_100000766640 [0,1,0,1,0,0|2,0,0]=4 23293 B12R1.318 CCCC(C)NC1CCOC1=O 2230a_100000741246_100000211211 [0,1,0,1,0,0|2,0,0]=4 23294 B12R1.318 CCCC(C)OC1CCCC1=O 34a_100000764384_100000709159 [0,1,0,1,0,0|1,0,0]=3 23295 B12R1.318 CCCC(C)OC1CCCC1=O 34a_200000719330_100000766640 [0,1,0,1,0,0|1,0,0]=3 23296 B12R1.318 CCCC(C)OC1CCCC1=O 7a_100000764384_100000211823 [0,1,0,1,0,0|1,0,0]=3 23297 B12R1.318 CCCC(C)OC1CCOC1=O 34a_100000764384_100000211211 [0,1,0,1,0,0|2,0,0]=4 23298 B12R1.318 CCCC(C)OC1CCOC1=O 7a_100000764384_100000211211 [0,1,0,1,0,0|2,0,0]=4 23299 B12R1.318 CCCC(C)O[C@H]1CCNC1=O 34a_100000688343_100000766640 [0,1,0,1,0,0|2,0,0]=4 23300 B12R1.318 CCCC(C)SC1CCCC1=O 62a_100000211823_100000766640 [0,1,0,1,0,0|1,0,0]=3 23301 B12R1.318 CCCC(C)SC1CCCC1=O 62a_100000766640_100000211823 [0,1,0,1,0,0|1,0,0]=3 23302 B12R1.318 CCCC(C)SC1CCOC1=O 62a_100000211211_100000766640 [0,1,0,1,0,0|2,0,0]=4 23303 B12R1.318 CCCC(C)SC1CCOC1=O 62a_100000766640_100000211211 [0,1,0,1,0,0|2,0,0]=4 23304 B12R1.318 CCCN(C)CN1CCCC1=O 269982a_100000747261_100000026320 [0,1,0,1,0,0|2,0,0]=4 23305 B12R1.318 COCC(C)OC1CCCC1=O 34a_200000719330_100000765312 [0,1,0,1,0,0|2,0,0]=4 23306 B12R1.318 COCC(C)SC1CCCC1=O 62a_100000211823_100000765312 [0,1,0,1,0,0|2,0,0]=4 23307 B12R1.318 COCC(C)SC1CCCC1=O 62a_100000765312_100000211823 [0,1,0,1,0,0|2,0,0]=4 23308 B12R1.318 COC[C@@H](C)NC1CCCC1=O 2230a_100000764878_100000211823 [0,1,0,1,0,0|2,0,0]=4 23309 B12R1.318 COC[C@@H](C)OC1CCCC1=O 34a_100011934205_100000709159 [0,1,0,1,0,0|2,0,0]=4 23310 B12R1.318 C[C@H](CCO)NC1CCCC1=O 2230a_100000706166_100000211823 [0,1,0,1,0,0|2,0,0]=4 23311 B12R1.318 C[C@H](CCO)NC1CCCC1=O 34a_100000706166_100000709159 [0,1,0,1,0,0|2,0,0]=4 23312 B12R1.340 C=CCNC1CCC(C1)CCC 270004a_100020586998_200012087856 [0,1,0,1,0,0|2,0,0]=4 23313 B12R1.348 C=CCCN1CCCC(CC1)C 2230a_100025706717_100000754431 [0,1,0,1,0,0|2,0,0]=4 23314 B12R1.348 C=CCCN1CCCC(CC1)C 269982a_100025706717_100000754431 [0,1,0,1,0,0|2,0,0]=4 23315 B12R1.348 C=CCCN1CCCC(CC1)C 34a_100025706717_100000754431 [0,1,0,1,0,0|2,0,0]=4 23316 B12R1.348 C=CCCN1CCCC(CC1)O 2230a_100015186869_100000754431 [0,1,0,1,0,0|2,0,0]=4 23317 B12R1.348 C=CCCN1CCCC(CC1)O 269982a_100015186869_100000754431 [0,1,0,1,0,0|2,0,0]=4 23318 B12R1.456 CCCCNC1CC(OC1=O)C 2230a_100000102301_200000216747 [0,1,0,1,0,0|2,0,0]=4 23319 B12R1.456 CCCCNC1CC(OC1=O)C 7a_106832991798_200000216747 [0,1,0,1,0,0|2,0,0]=4 23320 B12R1.456 CCCCOC1CC(OC1=O)C 34a_100000210227_200000216747 [0,1,0,1,0,0|2,0,0]=4 23321 B12R1.456 CCCCOC1CC(OC1=O)C 7a_100000210227_200000216747 [0,1,0,1,0,0|2,0,0]=4 23322 B12R1.456 CCCCSC1CC(OC1=O)C 62a_100000210211_200000216747 [0,1,0,1,0,0|2,0,0]=4 23323 B12R1.456 CCCCSC1CC(OC1=O)C 62a_200000216747_100000210210 [0,1,0,1,0,0|2,0,0]=4 23324 B12R1.923 C=CCCCCCC(=O)C1CC1 1458a_100000210395_100000700193 [0,1,0,1,0,0|1,0,1]=4 23325 B12R1.923 C=CCCCCCN(C)C1CC1 2230a_100000226674_100000700193 [0,1,0,1,0,0|2,0,0]=4 23326 B12R1.923 C=CCCCCCN(C)C1CC1 269982a_100000226674_100000700193 [0,1,0,1,0,0|2,0,0]=4 23327 B12R1.923 C=CCCCCNC(C)C1CC1 2230a_100000700016_100011215482 [0,1,0,1,0,0|2,0,0]=4 23328 B12R1.923 C=CCCCCNC(C)C1CC1 269862a_100000703577_100000210639 [0,1,0,1,0,0|2,0,0]=4 23329 B12R1.923 C=CCCCCNC(C)C1CC1 34a_100000700016_100011215482 [0,1,0,1,0,0|2,0,0]=4 23330 B12R1.923 C=CCCCCOC(C)C1CC1 34a_100000744524_100011215482 [0,1,0,1,0,0|2,0,0]=4 23331 B12R1.923 C=CCCCCOC(C)C1CC1 7a_100000744524_100011215482 [0,1,0,1,0,0|2,0,0]=4 23332 B12R1.923 C=CCCCNCC(O)C1CC1 2230a_100000751198_100011713584 [0,1,0,1,0,0|2,0,0]=4 23333 B12R1.923 C=CCCCNCC(O)C1CC1 34a_100000751198_100000757094 [0,1,0,1,0,0|2,0,0]=4 23334 B12R1.923 C=CCCCOC[C@H](N)C1CC1 34a_100020623730_100000757094 [0,1,0,1,0,0|2,0,0]=4 23335 B12R1.923 CC(NCCCCC=O)C1CC1 2230a_100000700016_100000139335 [0,1,0,1,0,0|1,0,0]=3 23336 B12R1.923 CC(OCCCCC=O)C1CC1 7a_100000744524_100000139335 [0,1,0,1,0,0|1,0,0]=3 23337 B12R1.923 CN(CCCCCC=O)C1CC1 2230a_100000226674_100000139337 [0,1,0,1,0,0|1,0,0]=3 23338 B12R1.923 CN(CCCCCC=O)C1CC1 269982a_100000226674_100000139337 [0,1,0,1,0,0|1,0,0]=3 23339 B12R1.923 O=CCCCNCC(O)C1CC1 2230a_100000751198_200011292268 [0,1,0,1,0,0|1,0,0]=3 23340 B12R1.923 O=CCCCSCC(=O)C1CC1 62a_100000746382_200011292268 [0,1,0,1,0,0|1,0,1]=4 23341 B12R1.923 O=CCCCSCC(=O)C1CC1 62a_200011292268_100000746382 [0,1,0,1,0,0|1,0,1]=4 23342 B12R1.1141 CC1CN(CCCN1CC=O)C 269982a_100011935175_200015260668 [0,1,0,1,0,0|2,0,0]=4 23343 B12R1.1141 CCCN1CCCN(CC1=O)C 2230a_100000708116_200000210301 [0,1,0,1,0,0|2,0,0]=4 23344 B12R1.1141 CCCN1CCCN(CC1=O)C 269982a_100000708116_200000210301 [0,1,0,1,0,0|2,0,0]=4 23345 B12R1.1141 CCCN1CCCN(CC1=O)[13CH3] 2230a_100000708116_200025704644 [0,1,0,1,0,0|2,0,0]=4 23346 B12R1.1141 CCCN1CCCN(CC1=O)[13CH3] 269982a_100000708116_200025704644 [0,1,0,1,0,0|2,0,0]=4 23347 B12R1.1419 CCOC1CN(C1)CCCC=O 269982a_100000732654_200011292268 [0,1,0,1,0,0|2,0,0]=4 23348 B12R1.1419 COCC1CN(C1)CCCC=O 2230a_100016993750_200011292268 [0,1,0,1,0,0|2,0,0]=4 23349 B12R1.1419 COCC1CN(C1)CCCC=O 269982a_100016993750_200011292268 [0,1,0,1,0,0|2,0,0]=4 23350 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000210193_100011217769 [0,1,0,1,0,0|1,0,1]=4 23351 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000749507_100000210623 [0,1,0,1,0,0|1,0,1]=4 23352 B12R1.1564 C=CCN(C)C1CCCCCC1 2230a_100015185097_100000210623 [0,1,0,1,0,0|2,0,0]=4 23353 B12R1.1564 C=CCN(C)C1CCCCCC1 269982a_100000225617_100011217769 [0,1,0,1,0,0|2,0,0]=4 23354 B12R1.1564 C=CCN(C)C1CCCCCC1 269982a_100015185097_100000210623 [0,1,0,1,0,0|2,0,0]=4 23355 B12R1.1564 C=CCN(C)C1CCCCCC1 270004a_100000225617_100000210131 [0,1,0,1,0,0|2,0,0]=4 23356 B12R1.1564 C=CCN(C)C1CCCCCC1 34a_100015185097_100015514636 [0,1,0,1,0,0|2,0,0]=4 23357 B12R1.1564 CN(CC=O)C1CCCCCC1 2230a_100015185097_200015260668 [0,1,0,1,0,0|1,0,0]=3 23358 B12R1.1564 CN(CC=O)C1CCCCCC1 269982a_100015185097_200015260668 [0,1,0,1,0,0|1,0,0]=3 23359 B12R1.1564 CN(CC=O)C1CCCCCC1 34a_100015185097_200009817547 [0,1,0,1,0,0|1,0,0]=3 23360 B12R1.1996 C=CCCCCNC1(CCC1)C 2230a_100000692455_100011215482 [0,1,0,1,0,0|2,0,0]=4 23361 B12R1.1996 C=CCCCCNC1(CCC1)C 34a_100000692455_100011215482 [0,1,0,1,0,0|2,0,0]=4 23362 B12R1.1996 C=CCCCCOC1(CCC1)C 34a_100000759064_100011215482 [0,1,0,1,0,0|2,0,0]=4 23363 B12R1.1996 C=CCCCCOC1(CCC1)C 7a_100000759064_100011215482 [0,1,0,1,0,0|2,0,0]=4 23364 B12R1.1996 C=CCCCNCC1(CCC1)C 2230a_100000700776_100000726658 [0,1,0,1,0,0|2,0,0]=4 23365 B12R1.1996 C=CCCCNCC1(CCC1)C 2230a_100000706607_100011713584 [0,1,0,1,0,0|2,0,0]=4 23366 B12R1.1996 C=CCCCNCC1(CCC1)C 34a_100000700776_100000726658 [0,1,0,1,0,0|2,0,0]=4 23367 B12R1.1996 C=CCCCNCC1(CCC1)O 2230a_100000752638_100011713584 [0,1,0,1,0,0|2,0,0]=4 23368 B12R1.1996 C=CCCCOCC1(CCC1)C 34a_100000758997_100000726658 [0,1,0,1,0,0|2,0,0]=4 23369 B12R1.1996 C=CCCCOCC1(CCC1)C 7a_100000758997_100000726658 [0,1,0,1,0,0|2,0,0]=4 23370 B12R1.1996 C=CCCCSCC1(CCC1)C 62a_100000726658_100000757094 [0,1,0,1,0,0|2,0,0]=4 23371 B12R1.1996 C=CCCCSCC1(CCC1)C 62a_100011713584_100000726658 [0,1,0,1,0,0|2,0,0]=4 23372 B12R1.1996 CC1(CCC1)CNCCCC=O 2230a_100000706607_200011292268 [0,1,0,1,0,0|1,0,0]=3 23373 B12R1.1996 CC1(CCC1)CSCCCC=O 62a_100000726658_200011292268 [0,1,0,1,0,0|1,0,0]=3 23374 B12R1.1996 CC1(CCC1)CSCCCC=O 62a_200011292268_100000726658 [0,1,0,1,0,0|1,0,0]=3 23375 B12R1.1996 CC1(CCC1)NCCCCC=O 2230a_100000692455_100000139335 [0,1,0,1,0,0|1,0,0]=3 23376 B12R1.1996 CC1(CCC1)OCCCCC=O 7a_100000759064_100000139335 [0,1,0,1,0,0|1,0,0]=3 23377 B12R1.1996 CC1(COC1)CNCCCC=O 2230a_100020631278_200011292268 [0,1,0,1,0,0|2,0,0]=4 23378 B12R1.1996 CC1(COC1)CSCCCC=O 62a_100009817586_200011292268 [0,1,0,1,0,0|2,0,0]=4 23379 B12R1.1996 CC1(COC1)CSCCCC=O 62a_200011292268_100009817586 [0,1,0,1,0,0|2,0,0]=4 23380 B12R1.1996 CC1(COC1)NCCCCC=O 2230a_100000732644_100000139335 [0,1,0,1,0,0|2,0,0]=4 23381 B12R1.1996 CC1(CSC1)COCCCC=O 7a_100000732658_200011292268 [0,1,0,1,0,0|2,0,0]=4 23382 B12R1.1996 CC1(CSC1)OCCCCC=O 7a_100016018533_100000139335 [0,1,0,1,0,0|2,0,0]=4 23383 B12R1.1996 O=CCCCNCC1(CCC1)O 2230a_100000752638_200011292268 [0,1,0,1,0,0|1,0,0]=3 23384 B12R1.1996 O=CCCCNCC1(COC1)O 2230a_100010264505_200011292268 [0,1,0,1,0,0|2,0,0]=4 23385 B12R1.1 C=C1CCC(CC1)COCC=O 34a_100000074039_200009817547 [0,1,0,1,0,0|1,0,1]=4 23386 B12R1.1 C=C1CCN(CC1)CCCC=O 2230a_100000752442_200011292268 [0,1,0,1,0,0|1,0,1]=4 23387 B12R1.1 C=C1CCN(CC1)CCCC=O 269982a_100000752442_200011292268 [0,1,0,1,0,0|1,0,1]=4 23388 B12R1.1 C=CCCCN1CCC(CC1)C 2230a_100000188429_100011713584 [0,1,0,1,0,0|2,0,0]=4 23389 B12R1.1 C=CCCCN1CCC(CC1)C 269982a_100000188429_100000757094 [0,1,0,1,0,0|2,0,0]=4 23390 B12R1.1 C=CCCCN1CCC(CC1)C 34a_100000188429_100000757094 [0,1,0,1,0,0|2,0,0]=4 23391 B12R1.1 C=CCCCN1CCC(CC1)F 2230a_100015193889_100011713584 [0,1,0,1,0,0|2,0,0]=4 23392 B12R1.1 C=CCCCN1CCC(CC1)F 269982a_100015193889_100000757094 [0,1,0,1,0,0|2,0,0]=4 23393 B12R1.1 C=CCCCN1CCC(CC1)F 34a_100015193889_100000757094 [0,1,0,1,0,0|2,0,0]=4 23394 B12R1.1 C=CCCCN1CCC(CC1)O 2230a_100025773856_100011713584 [0,1,0,1,0,0|2,0,0]=4 23395 B12R1.1 C=CCCCN1CCC(CC1)O 269982a_100025773856_100000757094 [0,1,0,1,0,0|2,0,0]=4 23396 B12R1.1 C=CCCNC1CCC(CC1)C 270004a_100015191253_100000185489 [0,1,0,1,0,0|2,0,0]=4 23397 B12R1.1 C=CCCNC1CCC(CC1)O 270004a_100015191253_100000764474 [0,1,0,1,0,0|2,0,0]=4 23398 B12R1.1 C=CCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000754431 [0,1,0,1,0,0|2,0,0]=4 23399 B12R1.1 C=CCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000754431 [0,1,0,1,0,0|2,0,0]=4 23400 B12R1.1 C=CCCOC1CCC(CC1)C 34a_100000210714_100000754431 [0,1,0,1,0,0|2,0,0]=4 23401 B12R1.1 C=CCCOC1CCC(CC1)C 34a_100011205117_200011216234 [0,1,0,1,0,0|2,0,0]=4 23402 B12R1.1 C=CCCOC1CCC(CC1)C 7a_100000210714_100000754431 [0,1,0,1,0,0|2,0,0]=4 23403 B12R1.1 C=CCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000754431 [0,1,0,1,0,0|2,0,0]=4 23404 B12R1.1 C=CCCSC1CCC(CC1)C 62a_100000754431_200011216234 [0,1,0,1,0,0|2,0,0]=4 23405 B12R1.1 C=CCNCC1CCC(CC1)C 2230a_103436935547_100000210623 [0,1,0,1,0,0|2,0,0]=4 23406 B12R1.1 C=CCNCC1CCC(CC1)C 34a_103436935547_100015514636 [0,1,0,1,0,0|2,0,0]=4 23407 B12R1.1 C=CCOCC1CCC(CC1)C 34a_100000701341_100015514636 [0,1,0,1,0,0|2,0,0]=4 23408 B12R1.1 C=CCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100015514636 [0,1,0,1,0,0|2,0,0]=4 23409 B12R1.1 CC1CCC(CC1)CNCC=O 2230a_103436935547_200015260668 [0,1,0,1,0,0|1,0,0]=3 23410 B12R1.1 CC1CCC(CC1)CNCC=O 34a_103436935547_200009817547 [0,1,0,1,0,0|1,0,0]=3 23411 B12R1.1 CC1CCC(CC1)COCC=O 34a_100000701341_200009817547 [0,1,0,1,0,0|1,0,0]=3 23412 B12R1.1 CC1CCN(CC1)CCCC=O 2230a_100000188429_200011292268 [0,1,0,1,0,0|1,0,0]=3 23413 B12R1.1 CC1CCN(CC1)CCCC=O 269982a_100000188429_200011292268 [0,1,0,1,0,0|1,0,0]=3 23414 B12R1.1 CN1CCC(CC1)CSCC=O 62a_100015183002_200015260668 [0,1,0,1,0,0|2,0,0]=4 23415 B12R1.1 CN1CCC(CC1)CSCC=O 62a_200015260668_100015183002 [0,1,0,1,0,0|2,0,0]=4 23416 B12R1.1 CN1CCN(CC1)CCCC=O 2230a_100000188432_200011292268 [0,1,0,1,0,0|2,0,0]=4 23417 B12R1.1 CN1CCN(CC1)CCCC=O 269982a_100000188432_200011292268 [0,1,0,1,0,0|2,0,0]=4 23418 B12R1.1 N[C@H]1CC[C@@H](CC1)COCC=O 34a_100009821084_200009817547 [0,1,0,1,0,0|1,0,0]=3 23419 B12R1.1 O=CCCCN1CCC(CC1)F 2230a_100015193889_200011292268 [0,1,0,1,0,0|1,0,0]=3 23420 B12R1.1 O=CCCCN1CCC(CC1)F 269982a_100015193889_200011292268 [0,1,0,1,0,0|1,0,0]=3 23421 B12R1.1 O=CCCCN1CCC(CC1)O 2230a_100025773856_200011292268 [0,1,0,1,0,0|1,0,0]=3 23422 B12R1.1 O=CCCCN1CCC(CC1)O 269982a_100025773856_200011292268 [0,1,0,1,0,0|1,0,0]=3 23423 B12R1.1 O=CCCCN1CCS(=O)CC1 2230a_100000752083_200011292268 [0,1,0,1,0,0|2,0,0]=4 23424 B12R1.1 O=CCCCN1CCS(=O)CC1 269982a_100000752083_200011292268 [0,1,0,1,0,0|2,0,0]=4 23425 B12R1.1 O=CCOCC1CCC(=O)CC1 34a_100000062911_200009817547 [0,1,0,1,0,0|1,0,1]=4 23426 B12R1.7 C=CCCCCN1CCC(C1)O 2230a_100011215560_100011215482 [0,1,0,1,0,0|2,0,0]=4 23427 B12R1.7 C=CCCCCN1CCC(C1)O 269982a_100011215560_100011215482 [0,1,0,1,0,0|2,0,0]=4 23428 B12R1.7 C=CCCCCN1CC[C@@H](C1)F 2230a_100015203821_100011215482 [0,1,0,1,0,0|2,0,0]=4 23429 B12R1.7 C=CCCCCN1CC[C@@H](C1)F 269982a_100015203821_100011215482 [0,1,0,1,0,0|2,0,0]=4 23430 B12R1.7 C=CCCCCN1CC[C@@H](C1)F 34a_100015203821_100011215482 [0,1,0,1,0,0|2,0,0]=4 23431 B12R1.7 C=CCCCCN1CC[C@H](C1)C 2230a_100016987628_100011215482 [0,1,0,1,0,0|2,0,0]=4 23432 B12R1.7 C=CCCCCN1CC[C@H](C1)C 269982a_100016987628_100011215482 [0,1,0,1,0,0|2,0,0]=4 23433 B12R1.7 C=CCCCCN1CC[C@H](C1)C 34a_100016987628_100011215482 [0,1,0,1,0,0|2,0,0]=4 23434 B12R1.7 C=CCCCNC1CCC(C1)C 270004a_100000700776_100011215218 [0,1,0,1,0,0|2,0,0]=4 23435 B12R1.7 C=CCCCNC1CCC(C1)O 270004a_100000700776_100012614533 [0,1,0,1,0,0|2,0,0]=4 23436 B12R1.7 C=CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011713584 [0,1,0,1,0,0|2,0,0]=4 23437 B12R1.7 C=CCCCOC1CCC(C1)C 34a_100000698185_100000757094 [0,1,0,1,0,0|2,0,0]=4 23438 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [0,1,0,1,0,0|2,0,0]=4 23439 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [0,1,0,1,0,0|2,0,0]=4 23440 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,1,0,1,0,0|1,0,0]=3 23441 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [0,1,0,1,0,0|2,0,0]=4 23442 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,1,0,1,0,0|2,0,0]=4 23443 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,1,0,1,0,0|2,0,0]=4 23444 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [0,1,0,1,0,0|2,0,0]=4 23445 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [0,1,0,1,0,0|2,0,0]=4 23446 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [0,1,0,1,0,0|2,0,0]=4 23447 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [0,1,0,1,0,0|2,0,0]=4 23448 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [0,1,0,1,0,0|1,0,0]=3 23449 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [0,1,0,1,0,0|1,0,0]=3 23450 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [0,1,0,1,0,0|1,0,0]=3 23451 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [0,1,0,1,0,0|1,0,0]=3 23452 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [0,1,0,1,0,0|2,0,0]=4 23453 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [0,1,0,1,0,0|2,0,0]=4 23454 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [0,1,0,1,0,0|1,0,0]=3 23455 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [0,1,0,1,0,0|2,0,0]=4 23456 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [0,1,0,1,0,0|2,0,0]=4 23457 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [0,1,0,1,0,0|2,0,0]=4 23458 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [0,1,0,1,0,0|2,0,0]=4 23459 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,1,0,1,0,0|2,0,0]=4 23460 B12R1.7 CCCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210210 [0,1,0,1,0,0|2,0,0]=4 23461 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [0,1,0,1,0,0|1,0,0]=3 23462 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [0,1,0,1,0,0|2,0,0]=4 23463 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [0,1,0,1,0,0|2,0,0]=4 23464 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [0,1,0,1,0,0|2,0,0]=4 23465 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [0,1,0,1,0,0|2,0,0]=4 23466 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,1,0,1,0,0|2,0,0]=4 23467 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,1,0,1,0,0|2,0,0]=4 23468 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [0,1,0,1,0,0|1,0,0]=3 23469 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [0,1,0,1,0,0|1,0,0]=3 23470 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [0,1,0,1,0,0|2,0,0]=4 23471 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [0,1,0,1,0,0|2,0,0]=4 23472 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [0,1,0,1,0,0|2,0,0]=4 23473 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100000739092_100015189358 [0,1,0,1,0,0|2,0,0]=4 23474 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000739092 [0,1,0,1,0,0|2,0,0]=4 23475 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [0,1,0,1,0,0|2,0,0]=4 23476 B12R1.7 CN1CCC(C1)SCCCC=O 62a_200011292268_200012183744 [0,1,0,1,0,0|2,0,0]=4 23477 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [0,1,0,1,0,0|2,0,0]=4 23478 B12R1.7 COCCNC[C@@H]1CCC(=O)N1 2230a_100000209980_100015189358 [0,1,0,1,0,0|2,0,0]=4 23479 B12R1.7 COCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011201679 [0,1,0,1,0,0|2,0,0]=4 23480 B12R1.7 COCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011201679 [0,1,0,1,0,0|2,0,0]=4 23481 B12R1.7 COCCOCC1CCC(=O)N1 34a_100000737831_100011201679 [0,1,0,1,0,0|2,0,0]=4 23482 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100000233755_100015189358 [0,1,0,1,0,0|2,0,0]=4 23483 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000233755 [0,1,0,1,0,0|2,0,0]=4 23484 B12R1.7 CSCCNC[C@@H]1CCC(=O)N1 2230a_100020590264_100015189358 [0,1,0,1,0,0|2,0,0]=4 23485 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000751147 [0,1,0,1,0,0|2,0,0]=4 23486 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000212216 [0,1,0,1,0,0|2,0,0]=4 23487 B12R1.7 CSCCOCC1CCC(=O)N1 34a_100000737831_100000212216 [0,1,0,1,0,0|2,0,0]=4 23488 B12R1.7 CSCCOC[C@@H]1CCC(=O)N1 7a_100000230434_100015189358 [0,1,0,1,0,0|2,0,0]=4 23489 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100000212216_100015189358 [0,1,0,1,0,0|2,0,0]=4 23490 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000751147 [0,1,0,1,0,0|2,0,0]=4 23491 B12R1.7 C[C@@H]1CCN(C1)CCCCC=O 2230a_100016987628_100000139335 [0,1,0,1,0,0|1,0,0]=3 23492 B12R1.7 C[C@@H]1CCN(C1)CCCCC=O 269982a_100016987628_100000139335 [0,1,0,1,0,0|1,0,0]=3 23493 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [0,1,0,1,0,0|2,0,0]=4 23494 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [0,1,0,1,0,0|2,0,0]=4 23495 B12R1.7 O=C1CCC(N1)COCCCF 34a_100000737831_100011934791 [0,1,0,1,0,0|2,0,0]=4 23496 B12R1.7 O=C1CCC(N1)COCCCO 34a_100000737831_100000230001 [0,1,0,1,0,0|2,0,0]=4 23497 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 2230a_100015423886_100011934791 [0,1,0,1,0,0|2,0,0]=4 23498 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 34a_100015423886_100011934791 [0,1,0,1,0,0|2,0,0]=4 23499 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 2230a_100015423886_100000230001 [0,1,0,1,0,0|2,0,0]=4 23500 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 34a_100015423886_100000230001 [0,1,0,1,0,0|2,0,0]=4 23501 B12R1.7 O=C1CC[C@H](N1)CNCCCF 2230a_100015189416_100015189358 [0,1,0,1,0,0|2,0,0]=4 23502 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100011934791_100015189358 [0,1,0,1,0,0|2,0,0]=4 23503 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100015189358_100011934791 [0,1,0,1,0,0|2,0,0]=4 23504 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100011215043_100015189358 [0,1,0,1,0,0|2,0,0]=4 23505 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100015189358_100011215043 [0,1,0,1,0,0|2,0,0]=4 23506 B12R1.7 O=CCCCCN1CCC(C1)O 2230a_100011215560_100000139335 [0,1,0,1,0,0|1,0,0]=3 23507 B12R1.7 O=CCCCCN1CCC(C1)O 269982a_100011215560_100000139335 [0,1,0,1,0,0|1,0,0]=3 23508 B12R1.7 O=CCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000139335 [0,1,0,1,0,0|1,0,0]=3 23509 B12R1.7 O=CCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000139335 [0,1,0,1,0,0|1,0,0]=3 23510 B12R1.7 O=CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_200011292268 [0,1,0,1,0,0|1,0,0]=3 23511 B12R1.25 C=CCNC1CCCC(C1C)C 2230a_100000211273_100000210623 [0,1,0,1,0,0|2,0,0]=4 23512 B12R1.25 C=CCNC1CCCC(C1C)C 34a_100000211273_100015514636 [0,1,0,1,0,0|2,0,0]=4 23513 B12R1.25 C=CCOC1CCCC(C1C)C 34a_100011217532_100015514636 [0,1,0,1,0,0|2,0,0]=4 23514 B12R1.25 C=CCOC1CCCC(C1C)C 7a_100011217532_100015514636 [0,1,0,1,0,0|2,0,0]=4 23515 B12R1.25 CC1CCCC(C1C)NCC=O 2230a_100000211273_200015260668 [0,1,0,1,0,0|1,0,0]=3 23516 B12R1.25 CC1CCCC(C1C)NCC=O 34a_100000211273_200009817547 [0,1,0,1,0,0|1,0,0]=3 23517 B12R1.25 CC1CCCC(C1C)OCC=O 34a_100011217532_200009817547 [0,1,0,1,0,0|1,0,0]=3 23518 B12R1.25 CC1CCCC(C1C)OCC=O 7a_100011217532_200015260668 [0,1,0,1,0,0|1,0,0]=3 23519 B12R1.27 C=CC(=O)CCC1CCCCC1 1458a_100000185746_100011273959 [0,1,0,1,0,0|1,0,1]=4 23520 B12R1.27 C=CC(C)COC1CCCCC1 34a_100011215527_100000210327 [0,1,0,1,0,0|2,0,0]=4 23521 B12R1.27 C=CC(C)COC1CCCCC1 7a_100011215527_100000210327 [0,1,0,1,0,0|2,0,0]=4 23522 B12R1.27 C=CC(C)OCC1CCCCC1 34a_100000695699_100000211423 [0,1,0,1,0,0|2,0,0]=4 23523 B12R1.27 C=CC(C)SCC1CCCCC1 62a_100011215867_100000211423 [0,1,0,1,0,0|2,0,0]=4 23524 B12R1.27 C=CC(O)CNC1CCCCC1 2230a_100000182618_100000730141 [0,1,0,1,0,0|2,0,0]=4 23525 B12R1.27 C=CC(O)CNC1CCCCC1 34a_100000182618_100000730141 [0,1,0,1,0,0|2,0,0]=4 23526 B12R1.27 C=CC(O)COC1CCCCC1 34a_100000210231_100000730141 [0,1,0,1,0,0|2,0,0]=4 23527 B12R1.27 C=CC(O)COC1CCCCC1 7a_100000210231_100000730141 [0,1,0,1,0,0|2,0,0]=4 23528 B12R1.27 C=CC(O)CSC1CCCCC1 62a_100000210327_100000730141 [0,1,0,1,0,0|2,0,0]=4 23529 B12R1.27 C=CC(O)CSC1CCCCC1 62a_100000730141_100000210327 [0,1,0,1,0,0|2,0,0]=4 23530 B12R1.27 C=C[C@H](N)COC1CCCCC1 34a_100016989147_100000210327 [0,1,0,1,0,0|2,0,0]=4 23531 B12R1.27 CCC(C)CNC1C=CCCC1 2230a_100020588543_100000751183 [0,1,0,1,0,0|2,0,0]=4 23532 B12R1.27 CCC(C)COC1C=CCCC1 34a_100011215024_100000748023 [0,1,0,1,0,0|2,0,0]=4 23533 B12R1.27 CCC(C)CSC1C=CCCC1 62a_100000748023_100000751183 [0,1,0,1,0,0|2,0,0]=4 23534 B12R1.27 CCC(C)CSC1C=CCCC1 62a_100000751183_100000748023 [0,1,0,1,0,0|2,0,0]=4 23535 B12R1.27 CCC(O)CNC1C=CCCC1 2230a_100011218483_100000751183 [0,1,0,1,0,0|2,0,0]=4 23536 B12R1.27 CCC(O)COC1C=CCCC1 34a_100011215024_100011218378 [0,1,0,1,0,0|2,0,0]=4 23537 B12R1.27 CCC(O)CSC1C=CCCC1 62a_100000751183_100011218378 [0,1,0,1,0,0|2,0,0]=4 23538 B12R1.27 CCC(O)CSC1C=CCCC1 62a_100011218378_100000751183 [0,1,0,1,0,0|2,0,0]=4 23539 B12R1.27 CC[C@H](C)COC1C=CCCC1 34a_100011215024_100009816398 [0,1,0,1,0,0|2,0,0]=4 23540 B12R1.27 CC[C@H](C)COC1C=CCCC1 7a_100009816381_100000751183 [0,1,0,1,0,0|2,0,0]=4 23541 B12R1.27 CC[C@H](C)CSC1C=CCCC1 62a_100000751183_100009816398 [0,1,0,1,0,0|2,0,0]=4 23542 B12R1.27 CC[C@H](C)CSC1C=CCCC1 62a_100009816398_100000751183 [0,1,0,1,0,0|2,0,0]=4 23543 B12R1.77 C=CC(C)N1CCCCC1CC 269982a_100000210034_100011215867 [0,1,0,1,0,0|2,0,0]=4 23544 B12R1.77 CCC(C)C1CCCCC1NC 269862a_106832991636_100011216798 [0,1,0,1,0,0|2,0,0]=4 23545 B12R1.82 C=CC(O)CN1CCCC1CC 2230a_100000754278_100000730141 [0,1,0,1,0,0|2,0,0]=4 23546 B12R1.82 C=CC(O)CN1CCCC1CC 34a_100000754278_100000730141 [0,1,0,1,0,0|2,0,0]=4 23547 B12R1.353 C=CC(O)COC1CCCC1C 34a_100011216460_100000730141 [0,1,0,1,0,0|2,0,0]=4 23548 B12R1.353 C=CC(O)COC1CCCC1C 7a_100011216460_100000730141 [0,1,0,1,0,0|2,0,0]=4 23549 B12R1.353 CC(CN)COC1CCCC1=O 34a_100000744482_100000709159 [0,1,0,1,0,0|2,0,0]=4 23550 B12R1.353 CC(CO)CNC1CCCC1=O 34a_100000744482_100000709159 [0,1,0,1,0,0|2,0,0]=4 23551 B12R1.353 CCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210202 [0,1,0,1,0,0|1,0,1]=4 23552 B12R1.353 CCC(=O)CCN1CCCC1=O 1458a_100000210414_100000742232 [0,1,0,1,0,0|1,0,1]=4 23553 B12R1.353 CCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210202 [0,1,0,1,0,0|1,0,1]=4 23554 B12R1.353 CCC(=O)COC1CCCC1=O 34a_100000725409_100000709159 [0,1,0,1,0,0|1,0,1]=4 23555 B12R1.353 CCC(=O)CSC1CCCC1=O 62a_100000211823_100000747405 [0,1,0,1,0,0|1,0,1]=4 23556 B12R1.353 CCC(=O)CSC1CCCC1=O 62a_100000747405_100000211823 [0,1,0,1,0,0|1,0,1]=4 23557 B12R1.353 CCC(C)CNC1CCCC1=O 2230a_100020588543_100000211823 [0,1,0,1,0,0|1,0,0]=3 23558 B12R1.353 CCC(C)CNC1CCNC1=O 2230a_100016995588_100000748023 [0,1,0,1,0,0|2,0,0]=4 23559 B12R1.353 CCC(C)CNC1CCNC1=O 270004a_100016995588_100000243153 [0,1,0,1,0,0|2,0,0]=4 23560 B12R1.353 CCC(C)CNC1CCNC1=O 34a_100016995588_100000748023 [0,1,0,1,0,0|2,0,0]=4 23561 B12R1.353 CCC(C)CNC1CCOC1=O 2230a_100020588543_100000211211 [0,1,0,1,0,0|2,0,0]=4 23562 B12R1.353 CCC(C)COC1CCCC1=O 34a_200000719330_100000748023 [0,1,0,1,0,0|1,0,0]=3 23563 B12R1.353 CCC(C)CO[C@H]1CCNC1=O 34a_100000688343_100000748023 [0,1,0,1,0,0|2,0,0]=4 23564 B12R1.353 CCC(C)CSC1CCCC1=O 62a_100000211823_100000748023 [0,1,0,1,0,0|1,0,0]=3 23565 B12R1.353 CCC(C)CSC1CCCC1=O 62a_100000748023_100000211823 [0,1,0,1,0,0|1,0,0]=3 23566 B12R1.353 CCC(C)CSC1CCOC1=O 62a_100000211211_100000748023 [0,1,0,1,0,0|2,0,0]=4 23567 B12R1.353 CCC(C)CSC1CCOC1=O 62a_100000748023_100000211211 [0,1,0,1,0,0|2,0,0]=4 23568 B12R1.353 CCC(C)OCC1CCNC1=O 34a_100000133458_100011215416 [0,1,0,1,0,0|2,0,0]=4 23569 B12R1.353 CCC(C)SCN1CCCC1=O 62a_100000026320_100000758301 [0,1,0,1,0,0|2,0,0]=4 23570 B12R1.353 CCC(C)SCN1CCCC1=O 62a_100000758301_100000026320 [0,1,0,1,0,0|2,0,0]=4 23571 B12R1.353 CCC(O)CNC1CCCC1=O 2230a_100011218483_100000211823 [0,1,0,1,0,0|1,0,0]=3 23572 B12R1.353 CCC(O)CNC1CCNC1=O 2230a_100016995588_100011218378 [0,1,0,1,0,0|2,0,0]=4 23573 B12R1.353 CCC(O)CNC1CCNC1=O 34a_100016995588_100011218378 [0,1,0,1,0,0|2,0,0]=4 23574 B12R1.353 CCC(O)CNC1CCOC1=O 2230a_100011218483_100000211211 [0,1,0,1,0,0|2,0,0]=4 23575 B12R1.353 CCC(O)COC1CCCC1=O 34a_200000719330_100011218378 [0,1,0,1,0,0|1,0,0]=3 23576 B12R1.353 CCC(O)CO[C@H]1CCNC1=O 34a_100000688343_100011218378 [0,1,0,1,0,0|2,0,0]=4 23577 B12R1.353 CCC(O)CSC1CCCC1=O 62a_100000211823_100011218378 [0,1,0,1,0,0|1,0,0]=3 23578 B12R1.353 CCC(O)CSC1CCCC1=O 62a_100011218378_100000211823 [0,1,0,1,0,0|1,0,0]=3 23579 B12R1.353 CCC(O)CSC1CCOC1=O 62a_100000211211_100011218378 [0,1,0,1,0,0|2,0,0]=4 23580 B12R1.353 CCC(O)CSC1CCOC1=O 62a_100011218378_100000211211 [0,1,0,1,0,0|2,0,0]=4 23581 B12R1.353 CCN(C)CCN1CCCC1=O 2230a_100000225621_100000739059 [0,1,0,1,0,0|2,0,0]=4 23582 B12R1.353 CCN(C)CCN1CCCC1=O 269982a_100000225621_100000739059 [0,1,0,1,0,0|2,0,0]=4 23583 B12R1.353 CC[C@H](C)CNC1CCNC1=O 2230a_100016995588_100009816398 [0,1,0,1,0,0|2,0,0]=4 23584 B12R1.353 CC[C@H](C)CNC1CCNC1=O 34a_100016995588_100009816398 [0,1,0,1,0,0|2,0,0]=4 23585 B12R1.353 CC[C@H](C)COC1CCCC1=O 34a_200000719330_100009816398 [0,1,0,1,0,0|1,0,0]=3 23586 B12R1.353 CC[C@H](C)COC1CCCC1=O 7a_100009816381_100000211823 [0,1,0,1,0,0|1,0,0]=3 23587 B12R1.353 CC[C@H](C)COC1CCOC1=O 7a_100009816381_100000211211 [0,1,0,1,0,0|2,0,0]=4 23588 B12R1.353 CC[C@H](C)CO[C@H]1CCNC1=O 34a_100000688343_100009816398 [0,1,0,1,0,0|2,0,0]=4 23589 B12R1.353 CC[C@H](C)CSC1CCCC1=O 62a_100000211823_100009816398 [0,1,0,1,0,0|1,0,0]=3 23590 B12R1.353 CC[C@H](C)CSC1CCCC1=O 62a_100009816398_100000211823 [0,1,0,1,0,0|1,0,0]=3 23591 B12R1.353 CC[C@H](C)CSC1CCOC1=O 62a_100000211211_100009816398 [0,1,0,1,0,0|2,0,0]=4 23592 B12R1.353 CC[C@H](C)CSC1CCOC1=O 62a_100009816398_100000211211 [0,1,0,1,0,0|2,0,0]=4 23593 B12R1.353 COC(C)COC1CCCC1=O 34a_100000690652_100000709159 [0,1,0,1,0,0|2,0,0]=4 23594 B12R1.353 CO[C@H](C)CNC1CCCC1=O 2230a_100020591295_100000211823 [0,1,0,1,0,0|2,0,0]=4 23595 B12R1.353 C[C@@H](CO)COC1CCCC1=O 34a_200000719330_100000059175 [0,1,0,1,0,0|2,0,0]=4 23596 B12R1.353 C[C@@H](CO)CSC1CCCC1=O 62a_100000059175_100000211823 [0,1,0,1,0,0|2,0,0]=4 23597 B12R1.353 C[C@@H](CO)CSC1CCCC1=O 62a_100000211823_100000059175 [0,1,0,1,0,0|2,0,0]=4 23598 B12R1.353 NC[C@@H](F)COC1CCCC1=O 34a_100015665980_100000709159 [0,1,0,1,0,0|2,0,0]=4 23599 B12R1.353 O=C1CCCC1NC[C@@H](F)CO 34a_100015665980_100000709159 [0,1,0,1,0,0|2,0,0]=4 23600 B12R1.353 O=C1CCCC1NC[C@H](O)CO 2230a_100020644852_100000211823 [0,1,0,1,0,0|2,0,0]=4 23601 B12R1.353 O=C1CCCC1OCC(Cl)CCl 34a_100000033668_100000709159 [0,1,0,1,0,0|2,0,0]=4 23602 B12R1.353 O=C1CCCC1OCC(O)CO 34a_200000719330_100011219619 [0,1,0,1,0,0|2,0,0]=4 23603 B12R1.353 O=C1CCCC1OC[C@@H](O)CF 34a_200000719330_100015614560 [0,1,0,1,0,0|2,0,0]=4 23604 B12R1.353 O=C1CCCC1OC[C@@H](O)CO 34a_200000719330_100009815848 [0,1,0,1,0,0|2,0,0]=4 23605 B12R1.353 O=C1CCCC1SCC(O)CO 62a_100000211823_100011219619 [0,1,0,1,0,0|2,0,0]=4 23606 B12R1.353 O=C1CCCC1SCC(O)CO 62a_100011219619_100000211823 [0,1,0,1,0,0|2,0,0]=4 23607 B12R1.353 O=C1CCCC1SC[C@@H](O)CF 62a_100000211823_100015614560 [0,1,0,1,0,0|2,0,0]=4 23608 B12R1.353 O=C1CCCC1SC[C@@H](O)CF 62a_100015614560_100000211823 [0,1,0,1,0,0|2,0,0]=4 23609 B12R1.353 O=C1CCCC1SC[C@@H](O)CO 62a_100000211823_100009815848 [0,1,0,1,0,0|2,0,0]=4 23610 B12R1.353 O=C1CCCC1SC[C@@H](O)CO 62a_100009815848_100000211823 [0,1,0,1,0,0|2,0,0]=4 23611 B12R1.364 CC(CF)OCCC1CCC1=O 7a_100016041109_200016118888 [0,1,0,1,0,0|2,0,0]=4 23612 B12R1.364 CC(CO)CCNC1CCC1=O 34a_106354213184_100009892977 [0,1,0,1,0,0|2,0,0]=4 23613 B12R1.364 CC(CO)SCCC1CCC1=O 62a_100012180447_200016118888 [0,1,0,1,0,0|2,0,0]=4 23614 B12R1.364 CCC(C)CCOC1CCC1=O 7a_100011215188_100009892977 [0,1,0,1,0,0|1,0,0]=3 23615 B12R1.364 CCC(C)NCCC1CCC1=O 2230a_100000209981_200016118888 [0,1,0,1,0,0|1,0,0]=3 23616 B12R1.364 CCC(C)OCCC1CCC1=O 7a_100000210228_200016118888 [0,1,0,1,0,0|1,0,0]=3 23617 B12R1.364 CCC(C)SCCC1CCC1=O 62a_100000758301_200016118888 [0,1,0,1,0,0|1,0,0]=3 23618 B12R1.364 CCC(C)SCCC1CCC1=O 62a_200016118888_100000758301 [0,1,0,1,0,0|1,0,0]=3 23619 B12R1.364 COC(C)CCOC1CCC1=O 7a_100000764861_100009892977 [0,1,0,1,0,0|2,0,0]=4 23620 B12R1.364 COC(C)SCCC1CCC1=O 62a_100009879195_200016118888 [0,1,0,1,0,0|2,0,0]=4 23621 B12R1.364 COC(C)SCCC1CCC1=O 62a_200016118888_100009879195 [0,1,0,1,0,0|2,0,0]=4 23622 B12R1.364 C[C@H](CO)NCCC1CCC1=O 2230a_100000737577_200016118888 [0,1,0,1,0,0|2,0,0]=4 23623 B12R1.364 C[C@H](CO)SCCC1CCC1=O 62a_100016084084_200016118888 [0,1,0,1,0,0|2,0,0]=4 23624 B12R1.364 C[C@H](CO)SCCC1CCC1=O 62a_200016118888_100016084084 [0,1,0,1,0,0|2,0,0]=4 23625 B12R1.365 CCC(=O)C1CCCCCC1=O 1458a_100000210414_100000243696 [0,1,0,1,0,0|0,0,1]=3 23626 B12R1.365 CCC(=O)C1CCCCNC1=O 1458a_100000210414_100000735217 [0,1,0,1,0,0|1,0,1]=4 23627 B12R1.365 CCN(C)C1CCCCCC1=O 269982a_100000225621_100000243696 [0,1,0,1,0,0|1,0,0]=3 23628 B12R1.365 CCN(C)C1CCCCNC1=O 2230a_100000225621_100000735217 [0,1,0,1,0,0|2,0,0]=4 23629 B12R1.365 CCN(C)C1CCCCNC1=O 269982a_100000225621_100000735217 [0,1,0,1,0,0|2,0,0]=4 23630 B12R1.365 O=C(CO)C1CCCCCC1=O 1458a_100000210174_100000243696 [0,1,0,1,0,0|1,0,1]=4 23631 B12R1.371 C=CC(O)CN1CCCCC1C 2230a_100000211376_100000730141 [0,1,0,1,0,0|2,0,0]=4 23632 B12R1.371 C=CC(O)CN1CCCCC1C 34a_100000211376_100000730141 [0,1,0,1,0,0|2,0,0]=4 23633 B12R1.371 CC(CF)OC1CCCCC1=O 34a_100016041109_100000754470 [0,1,0,1,0,0|2,0,0]=4 23634 B12R1.371 CC(CF)OC1CCCCC1=O 7a_100016041109_100000204591 [0,1,0,1,0,0|2,0,0]=4 23635 B12R1.371 CC(CN)OC1CCCCC1=O 34a_100000210904_100000754470 [0,1,0,1,0,0|2,0,0]=4 23636 B12R1.371 CC(CO)OC1CCCCC1=O 34a_100011214950_100012180447 [0,1,0,1,0,0|2,0,0]=4 23637 B12R1.371 CC(CO)SC1CCCCC1=O 62a_100012180447_100000204591 [0,1,0,1,0,0|2,0,0]=4 23638 B12R1.371 CCC(C)NC1CCCNC1=O 2230a_100000209981_100000687798 [0,1,0,1,0,0|2,0,0]=4 23639 B12R1.371 CCC(C)NC1CCCNC1=O 2230a_100000747585_100000758301 [0,1,0,1,0,0|2,0,0]=4 23640 B12R1.371 CCC(C)NC1CCCNC1=O 34a_100000747585_100011215416 [0,1,0,1,0,0|2,0,0]=4 23641 B12R1.371 CCC(C)OC1CCCCC1=O 34a_100011214950_100011215416 [0,1,0,1,0,0|1,0,0]=3 23642 B12R1.371 CCC(C)OC1CCCCC1=O 7a_100000210228_100000204591 [0,1,0,1,0,0|1,0,0]=3 23643 B12R1.371 CCC(C)OC1CCCNC1=O 34a_100000073722_100011215416 [0,1,0,1,0,0|2,0,0]=4 23644 B12R1.371 CCC(C)OC1CCCNC1=O 7a_100000210228_100000687798 [0,1,0,1,0,0|2,0,0]=4 23645 B12R1.371 CCC(C)OC1COCCC1=O 7a_100000210228_100012180262 [0,1,0,1,0,0|2,0,0]=4 23646 B12R1.371 CCC(C)SC1CCCCC1=O 62a_100000204591_100000758301 [0,1,0,1,0,0|1,0,0]=3 23647 B12R1.371 CCC(C)SC1CCCCC1=O 62a_100000758301_100000204591 [0,1,0,1,0,0|1,0,0]=3 23648 B12R1.371 CCC(C)SC1CCCNC1=O 62a_100000687798_100000758301 [0,1,0,1,0,0|2,0,0]=4 23649 B12R1.371 CCC(C)SC1CCCNC1=O 62a_100000758301_100000687798 [0,1,0,1,0,0|2,0,0]=4 23650 B12R1.371 CCC(C)SC1COCCC1=O 62a_100000758301_100012180262 [0,1,0,1,0,0|2,0,0]=4 23651 B12R1.371 CCC(C)SC1COCCC1=O 62a_100012180262_100000758301 [0,1,0,1,0,0|2,0,0]=4 23652 B12R1.371 COC(C)SC1CCCCC1=O 62a_100000204591_100009879195 [0,1,0,1,0,0|2,0,0]=4 23653 B12R1.371 COC(C)SC1CCCCC1=O 62a_100009879195_100000204591 [0,1,0,1,0,0|2,0,0]=4 23654 B12R1.371 C[C@H](CO)SC1CCCCC1=O 62a_100000204591_100016084084 [0,1,0,1,0,0|2,0,0]=4 23655 B12R1.371 C[C@H](CO)SC1CCCCC1=O 62a_100016084084_100000204591 [0,1,0,1,0,0|2,0,0]=4 23656 B12R1.382 C=CCNC1CCCC(C1)CC 270004a_100020586998_100000756783 [0,1,0,1,0,0|2,0,0]=4 23657 B12R1.382 C=CCOC1CCCC(C1)CC 7a_100011985506_100015514636 [0,1,0,1,0,0|2,0,0]=4 23658 B12R1.382 CCC1CCCC(C1)OCC=O 7a_100011985506_200015260668 [0,1,0,1,0,0|1,0,0]=3 23659 B12R1.382 CCN1CCC[C@H](C1)NCC=O 2230a_100025775482_200015260668 [0,1,0,1,0,0|2,0,0]=4 23660 B12R1.382 NCC1CCCC(C1)OCC=O 34a_100011254705_200009817547 [0,1,0,1,0,0|2,0,0]=4 23661 B12R1.455 C=CCCNC1CCC(C1)CC 270004a_100015191253_100011218773 [0,1,0,1,0,0|2,0,0]=4 23662 B12R1.455 CCN1CCC(C1)CNCC=O 2230a_100011224064_200015260668 [0,1,0,1,0,0|2,0,0]=4 23663 B12R1.455 CCN1CCC(C1)CSCC=O 62a_100015184589_200015260668 [0,1,0,1,0,0|2,0,0]=4 23664 B12R1.455 CCN1CCC(C1)CSCC=O 62a_200015260668_100015184589 [0,1,0,1,0,0|2,0,0]=4 23665 B12R1.455 CO[C@@H]1CCN(C1)CCCC=O 2230a_100000766984_200011292268 [0,1,0,1,0,0|2,0,0]=4 23666 B12R1.455 CO[C@@H]1CCN(C1)CCCC=O 269982a_100000766984_200011292268 [0,1,0,1,0,0|2,0,0]=4 23667 B12R1.455 NC[C@@H]1CC[C@@H](C1)COCC=O 34a_206354213956_200009817547 [0,1,0,1,0,0|2,0,0]=4 23668 B12R1.455 O=CCCCN1CCC(C1)CO 2230a_100000748654_200011292268 [0,1,0,1,0,0|2,0,0]=4 23669 B12R1.455 O=CCCCN1CCC(C1)CO 269982a_100000748654_200011292268 [0,1,0,1,0,0|2,0,0]=4 23670 B12R1.455 O=CCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_200009817547 [0,1,0,1,0,0|2,0,0]=4 23671 B12R1.477 C=CC(=O)CCCC1CCCC1 1458a_100000185746_100011713738 [0,1,0,1,0,0|1,0,1]=4 23672 B12R1.477 C=CC(C)COCC1CCCC1 34a_100011215527_100000740388 [0,1,0,1,0,0|2,0,0]=4 23673 B12R1.477 C=CC(C)COCC1CCCC1 7a_100011215527_100000740388 [0,1,0,1,0,0|2,0,0]=4 23674 B12R1.477 C=CC(C)OCCC1CCCC1 34a_100000695699_100000760354 [0,1,0,1,0,0|2,0,0]=4 23675 B12R1.477 C=CC(C)SCCC1CCCC1 62a_100011215867_100000760354 [0,1,0,1,0,0|2,0,0]=4 23676 B12R1.477 C=CC(O)CNCC1CCCC1 2230a_100000737975_100000730141 [0,1,0,1,0,0|2,0,0]=4 23677 B12R1.477 C=CC(O)CNCC1CCCC1 34a_100000737975_100000730141 [0,1,0,1,0,0|2,0,0]=4 23678 B12R1.477 C=CC(O)COCC1CCCC1 34a_100000742336_100000730141 [0,1,0,1,0,0|2,0,0]=4 23679 B12R1.477 C=CC(O)COCC1CCCC1 7a_100000742336_100000730141 [0,1,0,1,0,0|2,0,0]=4 23680 B12R1.477 C=CC(O)CSCC1CCCC1 62a_100000730141_100000740388 [0,1,0,1,0,0|2,0,0]=4 23681 B12R1.477 C=CC(O)CSCC1CCCC1 62a_100000740388_100000730141 [0,1,0,1,0,0|2,0,0]=4 23682 B12R1.477 C=C[C@H](N)COCC1CCCC1 34a_100016989147_100000740388 [0,1,0,1,0,0|2,0,0]=4 23683 B12R1.527 CCCCNC1CCN(C1=O)C 2230a_100000102301_100000755940 [0,1,0,1,0,0|2,0,0]=4 23684 B12R1.527 CCCCNC1CCN(C1=O)C 7a_106832991798_100000755940 [0,1,0,1,0,0|2,0,0]=4 23685 B12R1.527 CCCCOC1CCN(C1=O)C 34a_100000210227_100000755940 [0,1,0,1,0,0|2,0,0]=4 23686 B12R1.527 CCCCOC1CCN(C1=O)C 7a_100000210227_100000755940 [0,1,0,1,0,0|2,0,0]=4 23687 B12R1.527 CCCCSC1CCN(C1=O)C 62a_100000210211_100000755940 [0,1,0,1,0,0|2,0,0]=4 23688 B12R1.527 CCCCSC1CCN(C1=O)C 62a_100000755940_100000210210 [0,1,0,1,0,0|2,0,0]=4 23689 B12R1.527 CCCOCC1CCN(C1=O)C 34a_100009823153_100000210303 [0,1,0,1,0,0|2,0,0]=4 23690 B12R1.821 C=CCCCCCNC1(CC1)C 2230a_100000757604_100000700193 [0,1,0,1,0,0|2,0,0]=4 23691 B12R1.821 C=CCCCCCOC1(CC1)C 7a_100011725673_100000700193 [0,1,0,1,0,0|2,0,0]=4 23692 B12R1.821 C=CCCCCNCC1(CC1)C 2230a_100000766693_100011215482 [0,1,0,1,0,0|2,0,0]=4 23693 B12R1.821 C=CCCCCNCC1(CC1)O 2230a_100011936951_100011215482 [0,1,0,1,0,0|2,0,0]=4 23694 B12R1.821 C=CCCCCOCC1(CC1)C 7a_100000698024_100011215482 [0,1,0,1,0,0|2,0,0]=4 23695 B12R1.821 C=CCCCCOCC1(CC1)F 34a_200000703853_100011215482 [0,1,0,1,0,0|2,0,0]=4 23696 B12R1.821 C=CCCCCOCC1(CC1)F 7a_200000703853_100011215482 [0,1,0,1,0,0|2,0,0]=4 23697 B12R1.821 CC1(CC1)CNCCCCC=O 2230a_100000766693_100000139335 [0,1,0,1,0,0|1,0,0]=3 23698 B12R1.821 CC1(CC1)COCCCCC=O 7a_100000698024_100000139335 [0,1,0,1,0,0|1,0,0]=3 23699 B12R1.821 CC1(CC1)NCCCCCC=O 2230a_100000757604_100000139337 [0,1,0,1,0,0|1,0,0]=3 23700 B12R1.821 CC1(CC1)OCCCCCC=O 7a_100011725673_100000139337 [0,1,0,1,0,0|1,0,0]=3 23701 B12R1.821 CC1(CO1)CSCCCCC=O 62a_100000139335_100000760498 [0,1,0,1,0,0|2,0,0]=4 23702 B12R1.821 CC1(CO1)CSCCCCC=O 62a_100000760498_100000139335 [0,1,0,1,0,0|2,0,0]=4 23703 B12R1.821 O=CCCCCNCC1(CC1)O 2230a_100011936951_100000139335 [0,1,0,1,0,0|1,0,0]=3 23704 B12R1.821 O=CCCCCOCC1(CC1)F 7a_200000703853_100000139335 [0,1,0,1,0,0|1,0,0]=3 23705 B12R1.1442 CCNC1CCCCN(C1=O)C 2230a_100159325733_100000210202 [0,1,0,1,0,0|2,0,0]=4 23706 B12R1.1442 CCNC1CCCCN(C1=O)C 34a_100159325733_100000210202 [0,1,0,1,0,0|2,0,0]=4 23707 B12R1.1659 C=CC(C)N1CCCCCCC1 269982a_100000211400_100011215867 [0,1,0,1,0,0|2,0,0]=4 23708 B12R1.1748 C=CC(=O)CC1CCCCCC1 1458a_100000185746_200000696569 [0,1,0,1,0,0|1,0,1]=4 23709 B12R1.1748 C=CC(C)OC1CCCCCC1 34a_100000695699_100011217769 [0,1,0,1,0,0|2,0,0]=4 23710 B12R1.1748 C=CC(C)SC1CCCCCC1 62a_100011215867_100011217769 [0,1,0,1,0,0|2,0,0]=4 23711 B12R1.1748 C=CC(O)CN1CCCCCC1 2230a_100000185865_100000730141 [0,1,0,1,0,0|2,0,0]=4 23712 B12R1.1748 C=CC(O)CN1CCCCCC1 34a_100000185865_100000730141 [0,1,0,1,0,0|2,0,0]=4 23713 B12R1.1759 C=CCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011215482 [0,1,0,1,0,0|2,0,0]=4 23714 B12R1.1759 C=CCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011215482 [0,1,0,1,0,0|2,0,0]=4 23715 B12R1.1759 C[C@H]1[C@H](CN1CCCCC=O)O 2230a_206633788156_100000139335 [0,1,0,1,0,0|1,0,0]=3 23716 B12R1.1759 C[C@H]1[C@H](CN1CCCCC=O)O 269982a_206633788156_100000139335 [0,1,0,1,0,0|1,0,0]=3 23717 B12R1.1761 C=CCCCCN1CC(C1)CC 2230a_100015205115_100011215482 [0,1,0,1,0,0|2,0,0]=4 23718 B12R1.1761 C=CCCCCN1CC(C1)CC 269982a_100015205115_100011215482 [0,1,0,1,0,0|2,0,0]=4 23719 B12R1.1761 CCC1CN(C1)CCCCC=O 2230a_100015205115_100000139335 [0,1,0,1,0,0|1,0,0]=3 23720 B12R1.1761 CCC1CN(C1)CCCCC=O 269982a_100015205115_100000139335 [0,1,0,1,0,0|1,0,0]=3 23721 B12R1.1761 CCN1CC(C1)NCCCC=O 2230a_200015199589_200011292268 [0,1,0,1,0,0|2,0,0]=4 23722 B12R1.1761 COC1CN(C1)CCCCC=O 269982a_100000755009_100000139335 [0,1,0,1,0,0|2,0,0]=4 23723 B12R1.1761 CO[C@H]1C[C@@H](C1)NCCCC=O 2230a_100121570643_200011292268 [0,1,0,1,0,0|2,0,0]=4 23724 B12R1.1761 CSC1CN(C1)CCCCC=O 269982a_100016990038_100000139335 [0,1,0,1,0,0|2,0,0]=4 23725 B12R1.1761 O=CCCCCN1CC(C1)CF 269982a_100010363649_100000139335 [0,1,0,1,0,0|2,0,0]=4 23726 B12R1.1761 O=CCCCCN1CC(C1)CO 269982a_100016987283_100000139335 [0,1,0,1,0,0|2,0,0]=4 23727 B12R1.1761 O=CCCCSC1CC(C1)CO 62a_100009874164_200011292268 [0,1,0,1,0,0|2,0,0]=4 23728 B12R1.1761 O=CCCCSC1CC(C1)CO 62a_200011292268_100009874164 [0,1,0,1,0,0|2,0,0]=4 23729 B12R1.30 C=CCCC(=O)C1CCCCC1 1458a_100000210647_100000754431 [0,1,0,1,0,0|1,0,1]=4 23730 B12R1.30 C=CCCC(=O)C1CCCCC1 1458a_100000749702_100000210327 [0,1,0,1,0,0|1,0,1]=4 23731 B12R1.30 C=CCCN(C)C1CCCCC1 2230a_100000207522_100000754431 [0,1,0,1,0,0|2,0,0]=4 23732 B12R1.30 C=CCCN(C)C1CCCCC1 269982a_100000207522_100000754431 [0,1,0,1,0,0|2,0,0]=4 23733 B12R1.30 C=CCCN(C)C1CCCCC1 269982a_100020639649_100000210327 [0,1,0,1,0,0|2,0,0]=4 23734 B12R1.30 C=CCCN(C)C1CCCCC1 270004a_100020639649_100000210434 [0,1,0,1,0,0|2,0,0]=4 23735 B12R1.30 C=CCCN(C)C1CCCCC1 34a_100000207522_100000754431 [0,1,0,1,0,0|2,0,0]=4 23736 B12R1.30 C=CCN[C@H](C)C1CCCCC1 2230a_100025707633_100000210623 [0,1,0,1,0,0|2,0,0]=4 23737 B12R1.30 C=CCN[C@H](C)C1CCCCC1 34a_100025707633_100015514636 [0,1,0,1,0,0|2,0,0]=4 23738 B12R1.30 C=CCOC(C)C1CCCCC1 34a_100011216961_100015514636 [0,1,0,1,0,0|2,0,0]=4 23739 B12R1.30 C=CCOC(C)C1CCCCC1 7a_100011216961_100015514636 [0,1,0,1,0,0|2,0,0]=4 23740 B12R1.30 CC(OCC=O)C1CCCCC1 34a_100011216961_200009817547 [0,1,0,1,0,0|1,0,0]=3 23741 B12R1.30 CC(OCC=O)C1CCCCC1 7a_100011216961_200015260668 [0,1,0,1,0,0|1,0,0]=3 23742 B12R1.30 CC(OCC=O)C1CCCNC1 34a_100000740858_200009817547 [0,1,0,1,0,0|2,0,0]=4 23743 B12R1.30 CC(OCC=O)C1CCNCC1 34a_100011728446_200009817547 [0,1,0,1,0,0|2,0,0]=4 23744 B12R1.30 CCCCC(=O)C1C=CCCC1 1458a_100000210183_100000751183 [0,1,0,1,0,0|1,0,1]=4 23745 B12R1.30 CCCCN(C)C1C=CCCC1 2230a_100000207549_100000751183 [0,1,0,1,0,0|2,0,0]=4 23746 B12R1.30 CCCCN(C)C1C=CCCC1 269982a_100000207549_100000751183 [0,1,0,1,0,0|2,0,0]=4 23747 B12R1.30 COCCC(N)C1CCCCC1 34a_200020622111_200000210301 [0,1,0,1,0,0|2,0,0]=4 23748 B12R1.30 C[C@@H](NCC=O)C1CCCCC1 2230a_100025707633_200015260668 [0,1,0,1,0,0|1,0,0]=3 23749 B12R1.30 C[C@@H](NCC=O)C1CCCCC1 34a_100025707633_200009817547 [0,1,0,1,0,0|1,0,0]=3 23750 B12R1.30 C[C@@H](OCC=O)C1CCOCC1 34a_100000703848_200009817547 [0,1,0,1,0,0|2,0,0]=4 23751 B12R1.30 C[C@@H](OCC=O)C1CCOCC1 7a_100000703848_200015260668 [0,1,0,1,0,0|2,0,0]=4 23752 B12R1.30 [13CH3]OCCC(N)C1CCCCC1 34a_200020622111_200025704644 [0,1,0,1,0,0|2,0,0]=4 23753 B12R1.53 C=CCCC(=O)CC1CCCC1 1458a_100000210891_100000754431 [0,1,0,1,0,0|1,0,1]=4 23754 B12R1.53 C=CCCC(=O)CC1CCCC1 1458a_100000749702_100000740388 [0,1,0,1,0,0|1,0,1]=4 23755 B12R1.53 C=CCCC(C)NC1CCCC1 270004a_100000211070_100000762624 [0,1,0,1,0,0|2,0,0]=4 23756 B12R1.53 C=CCCC(C)OC1CCCC1 34a_100000765329_100000179811 [0,1,0,1,0,0|2,0,0]=4 23757 B12R1.53 C=CCCC(C)OC1CCCC1 7a_100000765329_100000179811 [0,1,0,1,0,0|2,0,0]=4 23758 B12R1.53 C=CCCN(C)CC1CCCC1 2230a_100020639649_100000740388 [0,1,0,1,0,0|2,0,0]=4 23759 B12R1.53 C=CCCN(C)CC1CCCC1 269982a_100020639649_100000740388 [0,1,0,1,0,0|2,0,0]=4 23760 B12R1.53 C=CCNC(C)CC1CCCC1 270004a_100020586998_100000692464 [0,1,0,1,0,0|2,0,0]=4 23761 B12R1.53 CCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210211 [0,1,0,1,0,0|1,0,1]=4 23762 B12R1.53 CCCNC(C)CC1C=CCC1 270004a_100020643023_100000116859 [0,1,0,1,0,0|2,0,0]=4 23763 B12R1.112 CCC1CN(CCN1CC=O)C 2230a_100011941019_200015260668 [0,1,0,1,0,0|2,0,0]=4 23764 B12R1.112 CCC1CN(CCN1CC=O)C 269982a_100011941019_200015260668 [0,1,0,1,0,0|2,0,0]=4 23765 B12R1.321 C=CCCN1CCCCC(C1)O 2230a_100025706797_100000754431 [0,1,0,1,0,0|2,0,0]=4 23766 B12R1.321 C=CCCN1CCCCC(C1)O 269982a_100025706797_100000754431 [0,1,0,1,0,0|2,0,0]=4 23767 B12R1.321 CCCCN1CCCNC(=O)C1 2230a_100015190381_100000210211 [0,1,0,1,0,0|2,0,0]=4 23768 B12R1.374 C=CCNC1CC(CCC1C)C 270004a_100020586998_100000034887 [0,1,0,1,0,0|2,0,0]=4 23769 B12R1.374 C=CCOC1CC(CCC1C)C 34a_100011217446_100015514636 [0,1,0,1,0,0|2,0,0]=4 23770 B12R1.374 C=CCOC1CC(CCC1C)C 7a_100011217446_100015514636 [0,1,0,1,0,0|2,0,0]=4 23771 B12R1.374 CC1CCC(C(C1)OCC=O)C 34a_100011217446_200009817547 [0,1,0,1,0,0|1,0,0]=3 23772 B12R1.374 CC1CCC(C(C1)OCC=O)C 7a_100011217446_200015260668 [0,1,0,1,0,0|1,0,0]=3 23773 B12R1.460 C=CCCC(=O)C1CCCC1C 1458a_100000690547_100000754431 [0,1,0,1,0,0|1,0,1]=4 23774 B12R1.460 C=CCCC(C)N1CCC[C@@H]1C 270004a_100020605311_100000762624 [0,1,0,1,0,0|2,0,0]=4 23775 B12R1.460 C=CCCC(C)N1CCC[C@H]1C 270004a_100015189458_100000762624 [0,1,0,1,0,0|2,0,0]=4 23776 B12R1.460 CCCCC(=O)C1CCCC1=O 1458a_100000210183_100000211823 [0,1,0,1,0,0|0,0,1]=3 23777 B12R1.460 CCCCC(=O)C1CCOC1=O 1458a_100000210183_100000211211 [0,1,0,1,0,0|1,0,1]=4 23778 B12R1.460 CCCCN(C)C1CCCC1=O 2230a_100000207549_100000211823 [0,1,0,1,0,0|1,0,0]=3 23779 B12R1.460 CCCCN(C)C1CCCC1=O 269982a_100000207549_100000211823 [0,1,0,1,0,0|1,0,0]=3 23780 B12R1.460 CCCCN(C)C1CCOC1=O 2230a_100000207549_100000211211 [0,1,0,1,0,0|2,0,0]=4 23781 B12R1.460 CCCCN(C)C1CCOC1=O 269982a_100000207549_100000211211 [0,1,0,1,0,0|2,0,0]=4 23782 B12R1.460 CCOCC(=O)C1CCCC1=O 1458a_100000211967_100000211823 [0,1,0,1,0,0|1,0,1]=4 23783 B12R1.460 CCSCC(=O)C1CCCC1=O 1458a_100000230394_100000211823 [0,1,0,1,0,0|1,0,1]=4 23784 B12R1.460 CN(CCCO)C1CCCC1=O 2230a_100000213112_100000211823 [0,1,0,1,0,0|2,0,0]=4 23785 B12R1.460 CN(CCCO)C1CCCC1=O 269982a_100000213112_100000211823 [0,1,0,1,0,0|2,0,0]=4 23786 B12R1.460 COCCC(=O)C1CCCC1=O 1458a_100000749529_100000211823 [0,1,0,1,0,0|1,0,1]=4 23787 B12R1.460 COCCN(C)C1CCCC1=O 2230a_100000743101_100000211823 [0,1,0,1,0,0|2,0,0]=4 23788 B12R1.460 COCCN(C)C1CCCC1=O 269982a_100000743101_100000211823 [0,1,0,1,0,0|2,0,0]=4 23789 B12R1.460 CSCCC(=O)C1CCCC1=O 1458a_100000174002_100000211823 [0,1,0,1,0,0|1,0,1]=4 23790 B12R1.460 CSCCN(C)C1CCCC1=O 2230a_100000686725_100000211823 [0,1,0,1,0,0|2,0,0]=4 23791 B12R1.460 CSCCN(C)C1CCCC1=O 269982a_100000686725_100000211823 [0,1,0,1,0,0|2,0,0]=4 23792 B12R1.460 C[C@H](OCC=O)[C@@H]1CCCN1C 34a_100160487421_200009817547 [0,1,0,1,0,0|2,0,0]=4 23793 B12R1.463 C=CCCC(C)NCC1CCC1 270004a_100000738700_100000762624 [0,1,0,1,0,0|2,0,0]=4 23794 B12R1.463 C=CCCC(C)OCC1CCC1 34a_100000765329_100000763275 [0,1,0,1,0,0|2,0,0]=4 23795 B12R1.463 C=CCCC(C)OCC1CCC1 7a_100000765329_100000763275 [0,1,0,1,0,0|2,0,0]=4 23796 B12R1.464 C=CCCC(C)NCCC1CC1 270004a_100000764129_100000762624 [0,1,0,1,0,0|2,0,0]=4 23797 B12R1.464 C=CCCC(C)OCCC1CC1 34a_100000765329_100000694398 [0,1,0,1,0,0|2,0,0]=4 23798 B12R1.464 C=CCCC(C)OCCC1CC1 7a_100000765329_100000764125 [0,1,0,1,0,0|2,0,0]=4 23799 B12R1.561 C=CCCCCC(=O)C1CCC1 1458a_100000209988_100011215482 [0,1,0,1,0,0|1,0,1]=4 23800 B12R1.561 C=CCCCCC(=O)C1CCC1 1458a_100011215552_100000749161 [0,1,0,1,0,0|1,0,1]=4 23801 B12R1.561 C=CCCCCN(C)C1CCC1 2230a_100000758072_100011215482 [0,1,0,1,0,0|2,0,0]=4 23802 B12R1.561 C=CCCCCN(C)C1CCC1 269982a_100000758072_100011215482 [0,1,0,1,0,0|2,0,0]=4 23803 B12R1.561 C=CCCCCN(C)C1CCC1 269982a_100012000471_100000749161 [0,1,0,1,0,0|2,0,0]=4 23804 B12R1.561 C=CCCCCN(C)C1CCC1 270004a_100012000471_100000241760 [0,1,0,1,0,0|2,0,0]=4 23805 B12R1.561 C=CCCCCN(C)C1CCC1 34a_100000758072_100011215482 [0,1,0,1,0,0|2,0,0]=4 23806 B12R1.561 C=CCCCNC(C)C1CCC1 2230a_100016994624_100011713584 [0,1,0,1,0,0|2,0,0]=4 23807 B12R1.561 C=CCCCNC(C)C1CCC1 269862a_100000700776_100000760154 [0,1,0,1,0,0|2,0,0]=4 23808 B12R1.561 C=CCCCNC(C)C1CCC1 34a_100016994624_100000757094 [0,1,0,1,0,0|2,0,0]=4 23809 B12R1.561 C=CCCCOC(C)C1CCC1 34a_100000766398_100000757094 [0,1,0,1,0,0|2,0,0]=4 23810 B12R1.561 C=CCCCOC(C)C1CCC1 7a_100000766398_100000757094 [0,1,0,1,0,0|2,0,0]=4 23811 B12R1.561 CC(NCCCC=O)C1CCC1 2230a_100016994624_200011292268 [0,1,0,1,0,0|1,0,0]=3 23812 B12R1.561 CC(OCCCC=O)C1CCC1 7a_100000766398_200011292268 [0,1,0,1,0,0|1,0,0]=3 23813 B12R1.561 CN(CCCCC=O)C1CCC1 2230a_100000758072_100000139335 [0,1,0,1,0,0|1,0,0]=3 23814 B12R1.561 CN(CCCCC=O)C1CCC1 269982a_100000758072_100000139335 [0,1,0,1,0,0|1,0,0]=3 23815 B12R1.561 CN(CCCCC=O)C1COC1 2230a_100102693430_100000139335 [0,1,0,1,0,0|2,0,0]=4 23816 B12R1.561 CN(CCCCC=O)C1COC1 269982a_100102693430_100000139335 [0,1,0,1,0,0|2,0,0]=4 23817 B12R1.563 C=CCCCCC(=O)CC1CC1 1458a_100000738066_100011215482 [0,1,0,1,0,0|1,0,1]=4 23818 B12R1.563 C=CCCCCC(=O)CC1CC1 1458a_100011215552_100000742324 [0,1,0,1,0,0|1,0,1]=4 23819 B12R1.563 C=CCCCCN(C)CC1CC1 2230a_100000741881_100011215482 [0,1,0,1,0,0|2,0,0]=4 23820 B12R1.563 C=CCCCCN(C)CC1CC1 2230a_100012000471_100000742324 [0,1,0,1,0,0|2,0,0]=4 23821 B12R1.563 C=CCCCCN(C)CC1CC1 269982a_100000741881_100011215482 [0,1,0,1,0,0|2,0,0]=4 23822 B12R1.563 C=CCCCCN(C)CC1CC1 269982a_100012000471_100000756562 [0,1,0,1,0,0|2,0,0]=4 23823 B12R1.563 C=CCCCNC(C)CC1CC1 270004a_100000700776_200000686933 [0,1,0,1,0,0|2,0,0]=4 23824 B12R1.563 CN(CCCCC=O)CC1CC1 2230a_100000741881_100000139335 [0,1,0,1,0,0|1,0,0]=3 23825 B12R1.563 CN(CCCCC=O)CC1CC1 269982a_100000741881_100000139335 [0,1,0,1,0,0|1,0,0]=3 23826 B12R1.567 C=CCCCN1C(CCC1C)C 2230a_100000687148_100011713584 [0,1,0,1,0,0|2,0,0]=4 23827 B12R1.567 C=CCCCN1C(CCC1C)C 269982a_100000687148_100000757094 [0,1,0,1,0,0|2,0,0]=4 23828 B12R1.567 C=CCCCN1C(CCC1C)C 34a_100000687148_100000757094 [0,1,0,1,0,0|2,0,0]=4 23829 B12R1.567 CC1CCC(N1CCCC=O)C 2230a_100000687148_200011292268 [0,1,0,1,0,0|1,0,0]=3 23830 B12R1.567 CC1CCC(N1CCCC=O)C 269982a_100000687148_200011292268 [0,1,0,1,0,0|1,0,0]=3 23831 B12R1.567 CCCCNC1C(=O)CCC1=O 2230a_100000102301_100009820769 [0,1,0,1,0,0|1,0,1]=4 23832 B12R1.567 CCCCNC1C(=O)CCC1=O 7a_106832991798_100009820769 [0,1,0,1,0,0|1,0,1]=4 23833 B12R1.567 CCCCOC1C(=O)CCC1=O 7a_100000210227_100009820769 [0,1,0,1,0,0|1,0,1]=4 23834 B12R1.567 CCCCSC1C(=O)CCC1=O 62a_100000210211_100009820769 [0,1,0,1,0,0|1,0,1]=4 23835 B12R1.567 CCCCSC1C(=O)CCC1=O 62a_100009820769_100000210210 [0,1,0,1,0,0|1,0,1]=4 23836 B12R1.925 CC(CCCCl)OC1CCC1=O 34a_200000718107_100009892977 [0,1,0,1,0,0|2,0,0]=4 23837 B12R1.925 CC(CCCCl)OC1CCC1=O 7a_200000718107_100009892977 [0,1,0,1,0,0|2,0,0]=4 23838 B12R1.925 CCCCC(C)OC1CCC1=O 34a_100000687866_100009892977 [0,1,0,1,0,0|1,0,0]=3 23839 B12R1.925 CCCCC(C)OC1CCC1=O 7a_100000687866_100009892977 [0,1,0,1,0,0|1,0,0]=3 23840 B12R1.925 CCCCC(C)SC1CCC1=O 62a_100009892977_200011215066 [0,1,0,1,0,0|1,0,0]=3 23841 B12R1.925 CCCCC(C)SC1CCC1=O 62a_200011215066_100009892977 [0,1,0,1,0,0|1,0,0]=3 23842 B12R1.925 CCOCC(C)OC1CCC1=O 34a_100000718985_100009892977 [0,1,0,1,0,0|2,0,0]=4 23843 B12R1.925 CCOCC(C)OC1CCC1=O 7a_100000718985_100009892977 [0,1,0,1,0,0|2,0,0]=4 23844 B12R1.1758 C=CCCCOC1(CCCC1)C 34a_100000751722_100000757094 [0,1,0,1,0,0|2,0,0]=4 23845 B12R1.1758 C=CCCCOC1(CCCC1)C 7a_100000751722_100000757094 [0,1,0,1,0,0|2,0,0]=4 23846 B12R1.1758 C=CCCNCC1(CCCC1)O 2230a_100000737848_100000754431 [0,1,0,1,0,0|2,0,0]=4 23847 B12R1.1758 C=CCCOCC1(CCCC1)N 34a_100000749328_100000754431 [0,1,0,1,0,0|2,0,0]=4 23848 B12R1.1758 C=CCNCCC1(CCCC1)O 34a_100000719956_100015514636 [0,1,0,1,0,0|2,0,0]=4 23849 B12R1.1758 CC1(CCCC1)OCCCC=O 7a_100000751722_200011292268 [0,1,0,1,0,0|1,0,0]=3 23850 B12R1.1758 CC1(CCOC1)NCCCC=O 2230a_100000693475_200011292268 [0,1,0,1,0,0|2,0,0]=4 23851 B12R1.1758 O=CCNCCC1(CCCC1)O 34a_100000719956_200009817547 [0,1,0,1,0,0|1,0,0]=3 23852 B12R1.1785 C=CCNC1(CCCCCC1)C 2230a_100000704638_100000210623 [0,1,0,1,0,0|2,0,0]=4 23853 B12R1.1785 C=CCNC1(CCCCCC1)C 34a_100000704638_100015514636 [0,1,0,1,0,0|2,0,0]=4 23854 B12R1.1785 C=CCOC1(CCCCCC1)C 34a_100000708895_100015514636 [0,1,0,1,0,0|2,0,0]=4 23855 B12R1.1785 C=CCOC1(CCCCCC1)C 7a_100000708895_100015514636 [0,1,0,1,0,0|2,0,0]=4 23856 B12R1.1785 CC1(CCCCCC1)NCC=O 2230a_100000704638_200015260668 [0,1,0,1,0,0|1,0,0]=3 23857 B12R1.1785 CC1(CCCCCC1)NCC=O 34a_100000704638_200009817547 [0,1,0,1,0,0|1,0,0]=3 23858 B12R1.1785 CC1(CCCCCC1)OCC=O 34a_100000708895_200009817547 [0,1,0,1,0,0|1,0,0]=3 23859 B12R1.1785 CC1(CCCCCC1)OCC=O 7a_100000708895_200015260668 [0,1,0,1,0,0|1,0,0]=3 23860 B12R1.1785 CC1(CCCNCC1)OCC=O 34a_100000723723_200009817547 [0,1,0,1,0,0|2,0,0]=4 23861 B12R1.2563 C=CCCCCC(=O)C1CC1C 1458a_100000211227_100011215482 [0,1,0,1,0,0|1,0,1]=4 23862 B12R1.35 C=CCCCC(=O)C1CCCC1 1458a_100000210718_100000757094 [0,1,0,1,0,0|1,0,1]=4 23863 B12R1.35 C=CCCCC(=O)C1CCCC1 1458a_100000766728_100000179811 [0,1,0,1,0,0|1,0,1]=4 23864 B12R1.35 C=CCCCN(C)C1CCCC1 2230a_100000207505_100011713584 [0,1,0,1,0,0|2,0,0]=4 23865 B12R1.35 C=CCCCN(C)C1CCCC1 269982a_100000207505_100000757094 [0,1,0,1,0,0|2,0,0]=4 23866 B12R1.35 C=CCCCN(C)C1CCCC1 34a_100000207505_100000757094 [0,1,0,1,0,0|2,0,0]=4 23867 B12R1.35 C=CCCNC(C)C1CCCC1 2230a_100015185923_100000754431 [0,1,0,1,0,0|2,0,0]=4 23868 B12R1.35 C=CCCNC(C)C1CCCC1 269862a_100015191253_100000749594 [0,1,0,1,0,0|2,0,0]=4 23869 B12R1.35 C=CCCNC(C)C1CCCC1 270004a_100015191253_100000749594 [0,1,0,1,0,0|2,0,0]=4 23870 B12R1.35 C=CCCNC(C)C1CCCC1 34a_100015185923_100000754431 [0,1,0,1,0,0|2,0,0]=4 23871 B12R1.35 C=CCCOC(C)C1CCCC1 34a_100011216366_100000754431 [0,1,0,1,0,0|2,0,0]=4 23872 B12R1.35 C=CCCOC(C)C1CCCC1 7a_100011216366_100000754431 [0,1,0,1,0,0|2,0,0]=4 23873 B12R1.35 CC(CSCC=O)N1CCCC1 62a_200015187269_200015260668 [0,1,0,1,0,0|2,0,0]=4 23874 B12R1.35 CC(CSCC=O)N1CCCC1 62a_200015260668_200015187269 [0,1,0,1,0,0|2,0,0]=4 23875 B12R1.35 CN(CCCC=O)C1CCCC1 2230a_100000207505_200011292268 [0,1,0,1,0,0|1,0,0]=3 23876 B12R1.35 CN(CCCC=O)C1CCCC1 269982a_100000207505_200011292268 [0,1,0,1,0,0|1,0,0]=3 23877 B12R1.35 CN(CCCC=O)C1CCOC1 2230a_100016988252_200011292268 [0,1,0,1,0,0|2,0,0]=4 23878 B12R1.35 CN(CCCC=O)C1CCOC1 269982a_100016988252_200011292268 [0,1,0,1,0,0|2,0,0]=4 23879 B12R1.481 C=CCCCC(=O)C1CC1CC 1458a_200011661523_100000757094 [0,1,0,1,0,0|1,0,1]=4 23880 B12R1.483 C=CCCCC(=O)CC1CCC1 1458a_100000763092_100000757094 [0,1,0,1,0,0|1,0,1]=4 23881 B12R1.483 C=CCCCC(=O)CC1CCC1 1458a_100000766728_100000763275 [0,1,0,1,0,0|1,0,1]=4 23882 B12R1.483 C=CCCCN(C)CC1CCC1 2230a_200000750244_100011713584 [0,1,0,1,0,0|2,0,0]=4 23883 B12R1.483 C=CCCCN(C)CC1CCC1 269982a_200000750244_100000757094 [0,1,0,1,0,0|2,0,0]=4 23884 B12R1.483 C=CCCCN(C)CC1CCC1 34a_200000750244_100000757094 [0,1,0,1,0,0|2,0,0]=4 23885 B12R1.483 CN(CCCC=O)CC1CCC1 2230a_200000750244_200011292268 [0,1,0,1,0,0|1,0,0]=3 23886 B12R1.483 CN(CCCC=O)CC1CCC1 269982a_200000750244_200011292268 [0,1,0,1,0,0|1,0,0]=3 23887 B12R1.484 C=CCCCC(=O)CCC1CC1 1458a_100000756386_100000757094 [0,1,0,1,0,0|1,0,1]=4 23888 B12R1.484 C=CCCCC(=O)CCC1CC1 1458a_100000766728_100000694398 [0,1,0,1,0,0|1,0,1]=4 23889 B12R1.485 CCCCCC(=O)C1CCC1=O 1458a_100000212188_100009892977 [0,1,0,1,0,0|0,0,1]=3 23890 B12R1.485 CCCCCN(C)C1CCC1=O 269982a_100000223495_100009892977 [0,1,0,1,0,0|1,0,0]=3 23891 B12R1.485 CCCOCC(=O)C1CCC1=O 1458a_100000745993_100009892977 [0,1,0,1,0,0|1,0,1]=4 23892 B12R1.485 CCCSCC(=O)C1CCC1=O 1458a_100000217233_100009892977 [0,1,0,1,0,0|1,0,1]=4 23893 B12R1.485 CCOCCC(=O)C1CCC1=O 1458a_100000749530_100009892977 [0,1,0,1,0,0|1,0,1]=4 23894 B12R1.485 CCSCCC(=O)C1CCC1=O 1458a_100000230768_100009892977 [0,1,0,1,0,0|1,0,1]=4 23895 B12R1.485 CN(CCCCO)C1CCC1=O 269982a_100000717598_100009892977 [0,1,0,1,0,0|2,0,0]=4 23896 B12R1.485 COCCCC(=O)C1CCC1=O 1458a_100000741012_100009892977 [0,1,0,1,0,0|1,0,1]=4 23897 B12R1.485 COCCCN(C)C1CCC1=O 269982a_100000224831_100009892977 [0,1,0,1,0,0|2,0,0]=4 23898 B12R1.485 CSCCCC(=O)C1CCC1=O 1458a_100000173376_100009892977 [0,1,0,1,0,0|1,0,1]=4 23899 B12R1.485 O=C(CCCCO)C1CCC1=O 1458a_100000695505_100009892977 [0,1,0,1,0,0|1,0,1]=4 23900 B12R1.1631 C=CCCN1C(CCCC1C)C 2230a_100000210447_100000754431 [0,1,0,1,0,0|2,0,0]=4 23901 B12R1.1631 C=CCCN1C(CCCC1C)C 269982a_100000210447_100000754431 [0,1,0,1,0,0|2,0,0]=4 23902 B12R1.1631 C=CCCN1C(CCCC1C)C 34a_100000210447_100000754431 [0,1,0,1,0,0|2,0,0]=4 23903 B12R1.1631 C=CCOC1C(CCCC1C)C 34a_100011218088_100015514636 [0,1,0,1,0,0|2,0,0]=4 23904 B12R1.1631 C=CCOC1C(CCCC1C)C 7a_100011218088_100015514636 [0,1,0,1,0,0|2,0,0]=4 23905 B12R1.1631 CC1CCCC(C1OCC=O)C 34a_100011218088_200009817547 [0,1,0,1,0,0|1,0,0]=3 23906 B12R1.1631 CC1CCCC(C1OCC=O)C 7a_100011218088_200015260668 [0,1,0,1,0,0|1,0,0]=3 23907 B12R1.1631 CCCSC1C(=O)CCCC1=O 62a_100000210303_100009814513 [0,1,0,1,0,0|1,0,1]=4 23908 B12R1.1631 CCCSC1C(=O)CCCC1=O 62a_100009814513_100000210303 [0,1,0,1,0,0|1,0,1]=4 23909 B12R1.1997 C=CCCNC1(CCCCC1)C 2230a_100000741114_100000754431 [0,1,0,1,0,0|2,0,0]=4 23910 B12R1.1997 C=CCCNC1(CCCCC1)C 34a_100000741114_100000754431 [0,1,0,1,0,0|2,0,0]=4 23911 B12R1.1997 C=CCCOC1(CCCCC1)C 34a_100011215885_100000754431 [0,1,0,1,0,0|2,0,0]=4 23912 B12R1.1997 C=CCCOC1(CCCCC1)C 7a_100011215885_100000754431 [0,1,0,1,0,0|2,0,0]=4 23913 B12R1.1997 C=CCNCC1(CCCCC1)C 2230a_100000706052_100000210623 [0,1,0,1,0,0|2,0,0]=4 23914 B12R1.1997 C=CCNCC1(CCCCC1)C 34a_100000706052_100015514636 [0,1,0,1,0,0|2,0,0]=4 23915 B12R1.1997 C=CCNCC1(CCCCC1)O 2230a_100000748649_100000210623 [0,1,0,1,0,0|2,0,0]=4 23916 B12R1.1997 C=CCNCC1(CCCCC1)O 34a_100000748649_100015514636 [0,1,0,1,0,0|2,0,0]=4 23917 B12R1.1997 C=CCOCC1(CCCCC1)C 34a_100000688186_100015514636 [0,1,0,1,0,0|2,0,0]=4 23918 B12R1.1997 C=CCOCC1(CCCCC1)C 7a_100000688186_100015514636 [0,1,0,1,0,0|2,0,0]=4 23919 B12R1.1997 C=CCOCC1(CCCCC1)F 34a_100000090305_100015514636 [0,1,0,1,0,0|2,0,0]=4 23920 B12R1.1997 C=CCOCC1(CCCCC1)F 7a_100000090305_100015514636 [0,1,0,1,0,0|2,0,0]=4 23921 B12R1.1997 C=CCOCC1(CCCCC1)N 34a_100000740034_100015514636 [0,1,0,1,0,0|2,0,0]=4 23922 B12R1.1997 CC1(CCCCC1)CNCC=O 2230a_100000706052_200015260668 [0,1,0,1,0,0|1,0,0]=3 23923 B12R1.1997 CC1(CCCCC1)CNCC=O 34a_100000706052_200009817547 [0,1,0,1,0,0|1,0,0]=3 23924 B12R1.1997 CC1(CCCCC1)COCC=O 34a_100000688186_200009817547 [0,1,0,1,0,0|1,0,0]=3 23925 B12R1.1997 CC1(CCCCC1)COCC=O 7a_100000688186_200015260668 [0,1,0,1,0,0|1,0,0]=3 23926 B12R1.1997 CC1(CCOCC1)CNCC=O 2230a_100000695556_200015260668 [0,1,0,1,0,0|2,0,0]=4 23927 B12R1.1997 CC1(CCOCC1)CNCC=O 34a_100000695556_200009817547 [0,1,0,1,0,0|2,0,0]=4 23928 B12R1.1997 CC1(CCOCC1)COCC=O 34a_100000704393_200009817547 [0,1,0,1,0,0|2,0,0]=4 23929 B12R1.1997 CC1(CCOCC1)COCC=O 7a_100000704393_200015260668 [0,1,0,1,0,0|2,0,0]=4 23930 B12R1.1997 NC1(CCCCC1)COCC=O 34a_100000740034_200009817547 [0,1,0,1,0,0|1,0,0]=3 23931 B12R1.1997 NC1(CCOCC1)COCC=O 34a_100000751404_200009817547 [0,1,0,1,0,0|2,0,0]=4 23932 B12R1.1997 O=CCNCC1(CCCCC1)O 2230a_100000748649_200015260668 [0,1,0,1,0,0|1,0,0]=3 23933 B12R1.1997 O=CCNCC1(CCCCC1)O 34a_100000748649_200009817547 [0,1,0,1,0,0|1,0,0]=3 23934 B12R1.1997 O=CCNCC1(CCOCC1)F 2230a_100016991512_200015260668 [0,1,0,1,0,0|2,0,0]=4 23935 B12R1.1997 O=CCNCC1(CCOCC1)F 34a_100016991512_200009817547 [0,1,0,1,0,0|2,0,0]=4 23936 B12R1.1997 O=CCNCC1(CCOCC1)O 2230a_100000704115_200015260668 [0,1,0,1,0,0|2,0,0]=4 23937 B12R1.1997 O=CCNCC1(CCOCC1)O 34a_100000704115_200009817547 [0,1,0,1,0,0|2,0,0]=4 23938 B12R1.1997 O=CCNCC1(CCSCC1)O 2230a_100000758141_200015260668 [0,1,0,1,0,0|2,0,0]=4 23939 B12R1.1997 O=CCOCC1(CCCCC1)F 34a_100000090305_200009817547 [0,1,0,1,0,0|1,0,0]=3 23940 B12R1.1997 O=CCOCC1(CCCCC1)F 7a_100000090305_200015260668 [0,1,0,1,0,0|1,0,0]=3 23941 B12R1.1997 O=CCOCC1(CCNCC1)F 34a_100016990393_200009817547 [0,1,0,1,0,0|2,0,0]=4 23942 B12R1.75 C=C(C)CN1CCCCC1CC 2230a_100000210034_100000748629 [0,1,0,1,0,0|2,0,0]=4 23943 B12R1.75 C=C(C)CN1CCCCC1CC 269982a_100000210034_100000748629 [0,1,0,1,0,0|2,0,0]=4 23944 B12R1.75 C=C(C)CN1CCCCC1CC 34a_100000210034_100000748629 [0,1,0,1,0,0|2,0,0]=4 23945 B12R1.75 C=C(F)CN1CCCCC1CC 2230a_100000210034_100009893438 [0,1,0,1,0,0|2,0,0]=4 23946 B12R1.75 C=C(F)CN1CCCCC1CC 269982a_100000210034_100009893438 [0,1,0,1,0,0|2,0,0]=4 23947 B12R1.75 C=C(F)CN1CCCCC1CC 34a_100000210034_100009893438 [0,1,0,1,0,0|2,0,0]=4 23948 B12R1.75 CCC1CCCCN1CC(=O)N 2230a_100000210034_100000747473 [0,1,0,1,0,0|1,0,0]=3 23949 B12R1.75 CCC1CCCCN1CC(=O)N 269982a_100000210034_100000187820 [0,1,0,1,0,0|1,0,0]=3 23950 B12R1.75 CCC1CCCCN1CC(=O)N 34a_100000210034_100000187820 [0,1,0,1,0,0|1,0,0]=3 23951 B12R1.75 CCC1CCCCN1CC(=O)[O-] 269982a_100000210034_100020667443 [0,1,0,1,0,0|1,0,0]=3 23952 B12R1.75 CCC1CCCCN1CC(=O)[O-] 34a_100000210034_100020667443 [0,1,0,1,0,0|1,0,0]=3 23953 B12R1.75 CCC1CCCCN1C[N+](=O)[O-] 269982a_100000210034_100000761209 [0,1,0,1,0,0|2,0,0]=4 23954 B12R1.75 CCC1CCCCN1C[N+](=O)[O-] 34a_100000210034_100000761209 [0,1,0,1,0,0|2,0,0]=4 23955 B12R1.75 CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210202 [0,1,0,1,0,0|1,0,0]=3 23956 B12R1.75 CCN1CCCCC1CC(=O)N 269982a_100015184752_100000204670 [0,1,0,1,0,0|1,0,0]=3 23957 B12R1.75 CCN1CCCCC1CC(=O)N 34a_100015184752_100000210202 [0,1,0,1,0,0|1,0,0]=3 23958 B12R1.75 CC[C@H]1COCCN1CC(=O)N 2230a_100016988097_100000747473 [0,1,0,1,0,0|2,0,0]=4 23959 B12R1.75 CC[C@H]1COCCN1CC(=O)N 269982a_100016988097_100000187820 [0,1,0,1,0,0|2,0,0]=4 23960 B12R1.75 CC[C@H]1COCCN1CC(=O)N 34a_100016988097_100000187820 [0,1,0,1,0,0|2,0,0]=4 23961 B12R1.75 CC[C@H]1COCCN1CC(=O)[O-] 269982a_100016988097_100020667443 [0,1,0,1,0,0|2,0,0]=4 23962 B12R1.75 CC[C@H]1COCCN1CC(=O)[O-] 34a_100016988097_100020667443 [0,1,0,1,0,0|2,0,0]=4 23963 B12R1.75 COC1CCCCC1NC(=O)C 11a_100011208099_100015343762 [0,1,0,1,0,0|2,0,0]=4 23964 B12R1.75 COC1CCCCC1NC(=O)C 1626a_100011208099_100015343762 [0,1,0,1,0,0|2,0,0]=4 23965 B12R1.75 COC1CCCCC1NC(=O)C 240690a_100011208099_100015343762 [0,1,0,1,0,0|2,0,0]=4 23966 B12R1.75 COC1CCCCC1NC(=O)C 527a_100011208099_100103153847 [0,1,0,1,0,0|2,0,0]=4 23967 B12R1.75 NC(=O)CC1CCCCN1CF 269982a_100015184752_100015361967 [0,1,0,1,0,0|2,0,0]=4 23968 B12R1.75 NC(=O)CC1CCCCN1CF 34a_100015184752_100015361967 [0,1,0,1,0,0|2,0,0]=4 23969 B12R1.75 NC(=O)CN1CCCCC1CO 2230a_100000210821_100000747473 [0,1,0,1,0,0|2,0,0]=4 23970 B12R1.75 NC(=O)CN1CCCCC1CO 269982a_100000210821_100000187820 [0,1,0,1,0,0|2,0,0]=4 23971 B12R1.75 NC(=O)CN1CCCCC1CO 34a_100000210821_100000187820 [0,1,0,1,0,0|2,0,0]=4 23972 B12R1.75 O=C([O-])CN1CCCCC1CO 269982a_100000210821_100020667443 [0,1,0,1,0,0|2,0,0]=4 23973 B12R1.75 O=C([O-])CN1CCCCC1CO 34a_100000210821_100020667443 [0,1,0,1,0,0|2,0,0]=4 23974 B12R1.81 C=C(C)CCN1CCCC1CC 2230a_100000754278_100000730704 [0,1,0,1,0,0|2,0,0]=4 23975 B12R1.81 C=C(C)CCN1CCCC1CC 269982a_100000754278_100000730704 [0,1,0,1,0,0|2,0,0]=4 23976 B12R1.81 C=C(C)CCN1CCCC1CC 34a_100000754278_100000730704 [0,1,0,1,0,0|2,0,0]=4 23977 B12R1.81 CC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000053229 [0,1,0,1,0,0|2,0,0]=4 23978 B12R1.81 CCC1CCCN1CCC(=O)C 269982a_100000754278_100000053229 [0,1,0,1,0,0|1,0,0]=3 23979 B12R1.81 CCC1CCCN1CCC(=O)N 2230a_100000754278_100000744528 [0,1,0,1,0,0|1,0,0]=3 23980 B12R1.81 CCC1CCCN1CCC(=O)N 269982a_100000754278_100000744528 [0,1,0,1,0,0|1,0,0]=3 23981 B12R1.81 CCC1CCCN1CCC(=O)N 34a_100000754278_100000731001 [0,1,0,1,0,0|1,0,0]=3 23982 B12R1.81 CCC1CCCN1COC(=O)C 269982a_100000754278_100000076356 [0,1,0,1,0,0|2,0,0]=4 23983 B12R1.81 CCC1CCCN1COC(=O)C 34a_100000754278_100009813279 [0,1,0,1,0,0|2,0,0]=4 23984 B12R1.81 CCN1CCCC1CNC(=O)C 11a_100000211693_100015343762 [0,1,0,1,0,0|2,0,0]=4 23985 B12R1.81 CCN1CCCC1CNC(=O)C 1626a_100000211693_100015343762 [0,1,0,1,0,0|2,0,0]=4 23986 B12R1.81 CCN1CCCC1CNC(=O)C 240690a_100000211693_100015343762 [0,1,0,1,0,0|2,0,0]=4 23987 B12R1.81 CCN1CCCC1CNC(=O)C 527a_100000211693_100103153847 [0,1,0,1,0,0|2,0,0]=4 23988 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000744528 [0,1,0,1,0,0|2,0,0]=4 23989 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000744528 [0,1,0,1,0,0|2,0,0]=4 23990 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100000731001 [0,1,0,1,0,0|2,0,0]=4 23991 B12R1.125 C=C(C)CCN1CCCCC1C 2230a_100000211376_100000730704 [0,1,0,1,0,0|2,0,0]=4 23992 B12R1.125 C=C(C)CCN1CCCCC1C 269982a_100000211376_100000730704 [0,1,0,1,0,0|2,0,0]=4 23993 B12R1.125 C=C(C)CCN1CCCCC1C 34a_100000211376_100000730704 [0,1,0,1,0,0|2,0,0]=4 23994 B12R1.125 C=C(C)CNC1CCCCC1C 2230a_100000211402_100000748629 [0,1,0,1,0,0|2,0,0]=4 23995 B12R1.125 C=C(C)CNC1CCCCC1C 34a_100000211402_100000748629 [0,1,0,1,0,0|2,0,0]=4 23996 B12R1.125 C=C(C)COC1CCCCC1=O 34a_100000210245_100000754470 [0,1,0,1,0,0|1,0,1]=4 23997 B12R1.125 C=C(C)COC1CCCCC1=O 34a_100011214950_100000748629 [0,1,0,1,0,0|1,0,1]=4 23998 B12R1.125 C=C(C)COC1CCCCC1C 34a_100000211207_100000748629 [0,1,0,1,0,0|2,0,0]=4 23999 B12R1.125 C=C(C)COC1CCCCC1C 7a_100000211207_100000748629 [0,1,0,1,0,0|2,0,0]=4 24000 B12R1.125 C=C(C)CSC1CCCCC1=O 62a_100000204591_100000211660 [0,1,0,1,0,0|1,0,1]=4 24001 B12R1.125 C=C(C)CSC1CCCCC1=O 62a_100000748629_100000204591 [0,1,0,1,0,0|1,0,1]=4 24002 B12R1.125 C=C(F)CNC1CCCCC1C 2230a_100000211402_100009893438 [0,1,0,1,0,0|2,0,0]=4 24003 B12R1.125 C=C(F)CNC1CCCCC1C 34a_100000211402_100009893438 [0,1,0,1,0,0|2,0,0]=4 24004 B12R1.125 C=C(F)COC1CCCCC1C 34a_100000211207_100009893438 [0,1,0,1,0,0|2,0,0]=4 24005 B12R1.125 C=C(F)COC1CCCCC1C 7a_100000211207_100000042424 [0,1,0,1,0,0|2,0,0]=4 24006 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [0,1,0,1,0,0|1,0,0]=3 24007 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [0,1,0,1,0,0|1,0,0]=3 24008 B12R1.125 CC(=O)CCN1CCCCC1=O 1458a_100011236303_200000210301 [0,1,0,1,0,0|1,0,1]=4 24009 B12R1.125 CC(=O)CCN1CCCCC1C 269982a_100000211376_100000053229 [0,1,0,1,0,0|1,0,0]=3 24010 B12R1.125 CC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000053229 [0,1,0,1,0,0|2,0,0]=4 24011 B12R1.125 CC(=O)COC1CCCCC1=O 34a_100000211253_100000754470 [0,1,0,1,0,0|1,0,1]=4 24012 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [0,1,0,1,0,0|1,0,0]=3 24013 B12R1.125 CC(=O)COC1CCCCC1F 34a_100000211253_100015423560 [0,1,0,1,0,0|2,0,0]=4 24014 B12R1.125 CC(=O)COC1CCCCC1O 34a_100000211253_100000038908 [0,1,0,1,0,0|2,0,0]=4 24015 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [0,1,0,1,0,0|2,0,0]=4 24016 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [0,1,0,1,0,0|2,0,0]=4 24017 B12R1.125 CC(=O)NCC1CCCCN1C 240690a_100011228421_100015343762 [0,1,0,1,0,0|2,0,0]=4 24018 B12R1.125 CC(=O)NCC1CCCCN1C 527a_100011228421_100103153847 [0,1,0,1,0,0|2,0,0]=4 24019 B12R1.125 CC(=O)OCN1CCCCC1C 269982a_100000211376_100000076356 [0,1,0,1,0,0|2,0,0]=4 24020 B12R1.125 CC(=O)OCN1CCCCC1C 34a_100000211376_100009813279 [0,1,0,1,0,0|2,0,0]=4 24021 B12R1.125 CC(Br)COC1CCCCC1=O 34a_100012180447_100000754470 [0,1,0,1,0,0|1,0,0]=3 24022 B12R1.125 CC(Br)COC1CCCNC1=O 34a_100012180447_100000687798 [0,1,0,1,0,0|2,0,0]=4 24023 B12R1.125 CC(Br)COC1COCCC1=O 34a_100012180447_100012180262 [0,1,0,1,0,0|2,0,0]=4 24024 B12R1.125 CC(C)CNC1CCCCC1=O 34a_100000210953_100000754470 [0,1,0,1,0,0|1,0,0]=3 24025 B12R1.125 CC(C)CNC1CCCNC1=O 2230a_100000210953_100000687798 [0,1,0,1,0,0|2,0,0]=4 24026 B12R1.125 CC(C)CNC1CCCNC1=O 2230a_100000747585_100000210760 [0,1,0,1,0,0|2,0,0]=4 24027 B12R1.125 CC(C)CNC1CCCNC1=O 270004a_100000747585_100000210432 [0,1,0,1,0,0|2,0,0]=4 24028 B12R1.125 CC(C)CNC1CCCNC1=O 34a_100000210953_100000687798 [0,1,0,1,0,0|2,0,0]=4 24029 B12R1.125 CC(C)CNC1CCCNC1=O 34a_100000747585_100000210624 [0,1,0,1,0,0|2,0,0]=4 24030 B12R1.125 CC(C)CNC1COCCC1=O 34a_100000210953_100012180262 [0,1,0,1,0,0|2,0,0]=4 24031 B12R1.125 CC(C)COC1CCCCC1=O 34a_100000210257_100000754470 [0,1,0,1,0,0|1,0,0]=3 24032 B12R1.125 CC(C)COC1CCCCC1=O 34a_100011214950_100000210624 [0,1,0,1,0,0|1,0,0]=3 24033 B12R1.125 CC(C)COC1CCCNC1=O 34a_100000073722_100000210624 [0,1,0,1,0,0|2,0,0]=4 24034 B12R1.125 CC(C)COC1CCCNC1=O 34a_100000210257_100000687798 [0,1,0,1,0,0|2,0,0]=4 24035 B12R1.125 CC(C)COC1COCCC1=O 34a_100000210257_100012180262 [0,1,0,1,0,0|2,0,0]=4 24036 B12R1.125 CC(C)CSC1CCCCC1=O 62a_100000204591_100000210760 [0,1,0,1,0,0|1,0,0]=3 24037 B12R1.125 CC(C)CSC1CCCCC1=O 62a_100000210624_100000204591 [0,1,0,1,0,0|1,0,0]=3 24038 B12R1.125 CC(C)CSC1CCCNC1=O 62a_100000210624_100000687798 [0,1,0,1,0,0|2,0,0]=4 24039 B12R1.125 CC(C)CSC1CCCNC1=O 62a_100000687798_100000210760 [0,1,0,1,0,0|2,0,0]=4 24040 B12R1.125 CC(C)CSC1COCCC1=O 62a_100000210624_100012180262 [0,1,0,1,0,0|2,0,0]=4 24041 B12R1.125 CC(C)CSC1COCCC1=O 62a_100012180262_100000210760 [0,1,0,1,0,0|2,0,0]=4 24042 B12R1.125 CC(C)OCC1CCCCC1=O 34a_100009861125_100000210206 [0,1,0,1,0,0|1,0,0]=3 24043 B12R1.125 CC(C)OCC1CCCCC1=O 7a_100009861125_100000210206 [0,1,0,1,0,0|1,0,0]=3 24044 B12R1.125 CC(F)COC1CCCCC1=O 34a_100015925927_100000754470 [0,1,0,1,0,0|1,0,0]=3 24045 B12R1.125 CC(F)COC1CCCNC1=O 34a_100015925927_100000687798 [0,1,0,1,0,0|2,0,0]=4 24046 B12R1.125 CC(F)COC1COCCC1=O 34a_100015925927_100012180262 [0,1,0,1,0,0|2,0,0]=4 24047 B12R1.125 CC(O)CNC1CCCCC1=O 34a_100000210904_100000754470 [0,1,0,1,0,0|1,0,0]=3 24048 B12R1.125 CC(O)CNC1CCCNC1=O 2230a_100000210904_100000687798 [0,1,0,1,0,0|2,0,0]=4 24049 B12R1.125 CC(O)CNC1CCCNC1=O 2230a_100000747585_100011218427 [0,1,0,1,0,0|2,0,0]=4 24050 B12R1.125 CC(O)CNC1CCCNC1=O 34a_100000210904_100000687798 [0,1,0,1,0,0|2,0,0]=4 24051 B12R1.125 CC(O)CNC1CCCNC1=O 34a_100000747585_100011218427 [0,1,0,1,0,0|2,0,0]=4 24052 B12R1.125 CC(O)CNC1COCCC1=O 34a_100000210904_100012180262 [0,1,0,1,0,0|2,0,0]=4 24053 B12R1.125 CC(O)COC1CCCCC1=O 34a_100011214950_100011218427 [0,1,0,1,0,0|1,0,0]=3 24054 B12R1.125 CC(O)COC1CCCNC1=O 34a_100000073722_100011218427 [0,1,0,1,0,0|2,0,0]=4 24055 B12R1.125 CC(O)CSC1CCCCC1=O 62a_100000204591_100011218427 [0,1,0,1,0,0|1,0,0]=3 24056 B12R1.125 CC(O)CSC1CCCCC1=O 62a_100011218427_100000204591 [0,1,0,1,0,0|1,0,0]=3 24057 B12R1.125 CC(O)CSC1CCCNC1=O 62a_100000687798_100011218427 [0,1,0,1,0,0|2,0,0]=4 24058 B12R1.125 CC(O)CSC1CCCNC1=O 62a_100011218427_100000687798 [0,1,0,1,0,0|2,0,0]=4 24059 B12R1.125 CC(O)CSC1COCCC1=O 62a_100011218427_100012180262 [0,1,0,1,0,0|2,0,0]=4 24060 B12R1.125 CC(O)CSC1COCCC1=O 62a_100012180262_100011218427 [0,1,0,1,0,0|2,0,0]=4 24061 B12R1.125 CC1CCCCC1NCC(=O)N 2230a_100000211402_100000747473 [0,1,0,1,0,0|1,0,0]=3 24062 B12R1.125 CC1CCCCC1NCC(=O)N 34a_100000211402_100000187820 [0,1,0,1,0,0|1,0,0]=3 24063 B12R1.125 CC1CCCCC1NCC(=O)[O-] 34a_100000211402_100020667443 [0,1,0,1,0,0|1,0,0]=3 24064 B12R1.125 CC1CCCCC1NC[N+](=O)[O-] 34a_100000211402_100000761209 [0,1,0,1,0,0|2,0,0]=4 24065 B12R1.125 CC1CCCCC1OCC(=O)N 34a_100000211207_100000187820 [0,1,0,1,0,0|1,0,0]=3 24066 B12R1.125 CC1CCCCC1OCC(=O)N 7a_100000211207_100000187820 [0,1,0,1,0,0|1,0,0]=3 24067 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [0,1,0,1,0,0|1,0,0]=3 24068 B12R1.125 CC1CCCCC1OCC(=O)[O-] 34a_100000211207_100020667443 [0,1,0,1,0,0|1,0,0]=3 24069 B12R1.125 CC1CCCCC1OC[N+](=O)[O-] 34a_100000211207_100000761209 [0,1,0,1,0,0|2,0,0]=4 24070 B12R1.125 CC1CCCCN1CCC(=O)N 2230a_100000211376_100000744528 [0,1,0,1,0,0|1,0,0]=3 24071 B12R1.125 CC1CCCCN1CCC(=O)N 269982a_100000211376_100000744528 [0,1,0,1,0,0|1,0,0]=3 24072 B12R1.125 CC1CCCCN1CCC(=O)N 34a_100000211376_100000731001 [0,1,0,1,0,0|1,0,0]=3 24073 B12R1.125 CC1CCNCC1OCC(=O)N 34a_100000696640_100000187820 [0,1,0,1,0,0|2,0,0]=4 24074 B12R1.125 CC1CCNCC1OCC(=O)[O-] 34a_100000696640_100020667443 [0,1,0,1,0,0|2,0,0]=4 24075 B12R1.125 CC1CNCCC1OCC(=O)N 34a_100011998114_100000187820 [0,1,0,1,0,0|2,0,0]=4 24076 B12R1.125 CC1CNCCC1OCC(=O)[O-] 34a_100011998114_100020667443 [0,1,0,1,0,0|2,0,0]=4 24077 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,1,0,1,0,0|1,0,0]=3 24078 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [0,1,0,1,0,0|1,0,0]=3 24079 B12R1.125 C[C@@H](Cl)COC1CCCCC1=O 34a_100016084084_100000754470 [0,1,0,1,0,0|1,0,0]=3 24080 B12R1.125 C[C@@H](Cl)COC1CCCNC1=O 34a_100016084084_100000687798 [0,1,0,1,0,0|2,0,0]=4 24081 B12R1.125 C[C@@H](Cl)COC1COCCC1=O 34a_100016084084_100012180262 [0,1,0,1,0,0|2,0,0]=4 24082 B12R1.125 C[C@@H](N)COC1CCCCC1=O 34a_100000737577_100000754470 [0,1,0,1,0,0|1,0,0]=3 24083 B12R1.125 C[C@@H](N)COC1CCCNC1=O 34a_100000737577_100000687798 [0,1,0,1,0,0|2,0,0]=4 24084 B12R1.125 C[C@@H](N)COC1COCCC1=O 34a_100000737577_100012180262 [0,1,0,1,0,0|2,0,0]=4 24085 B12R1.125 C[C@@H](O)CNC1CCCNC1=O 2230a_100000747585_100009817552 [0,1,0,1,0,0|2,0,0]=4 24086 B12R1.125 C[C@@H](O)CNC1CCCNC1=O 34a_100000747585_100009817552 [0,1,0,1,0,0|2,0,0]=4 24087 B12R1.125 C[C@@H](O)COC1CCCCC1=O 34a_100011214950_100009817552 [0,1,0,1,0,0|1,0,0]=3 24088 B12R1.125 C[C@@H](O)COC1CCCNC1=O 34a_100000073722_100009817552 [0,1,0,1,0,0|2,0,0]=4 24089 B12R1.125 C[C@@H](O)CSC1CCCCC1=O 62a_100000204591_100009817552 [0,1,0,1,0,0|1,0,0]=3 24090 B12R1.125 C[C@@H](O)CSC1CCCCC1=O 62a_100009817552_100000204591 [0,1,0,1,0,0|1,0,0]=3 24091 B12R1.125 C[C@@H](O)CSC1CCCNC1=O 62a_100000687798_100009817552 [0,1,0,1,0,0|2,0,0]=4 24092 B12R1.125 C[C@@H](O)CSC1CCCNC1=O 62a_100009817552_100000687798 [0,1,0,1,0,0|2,0,0]=4 24093 B12R1.125 C[C@@H](O)CSC1COCCC1=O 62a_100009817552_100012180262 [0,1,0,1,0,0|2,0,0]=4 24094 B12R1.125 C[C@@H](O)CSC1COCCC1=O 62a_100012180262_100009817552 [0,1,0,1,0,0|2,0,0]=4 24095 B12R1.125 C[C@H]1COCCN1CCC(=O)N 2230a_100009815349_100000744528 [0,1,0,1,0,0|2,0,0]=4 24096 B12R1.125 C[C@H]1COCCN1CCC(=O)N 269982a_100009815349_100000744528 [0,1,0,1,0,0|2,0,0]=4 24097 B12R1.125 C[C@H]1COCCN1CCC(=O)N 34a_100009815349_100000731001 [0,1,0,1,0,0|2,0,0]=4 24098 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747473 [0,1,0,1,0,0|2,0,0]=4 24099 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000187820 [0,1,0,1,0,0|2,0,0]=4 24100 B12R1.125 NC(=O)COC1CCCCC1Cl 34a_100000038908_100000187820 [0,1,0,1,0,0|2,0,0]=4 24101 B12R1.125 NC(=O)COC1CCCCC1Cl 7a_100000038908_100000187820 [0,1,0,1,0,0|2,0,0]=4 24102 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000187820 [0,1,0,1,0,0|2,0,0]=4 24103 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000187820 [0,1,0,1,0,0|2,0,0]=4 24104 B12R1.125 NC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000187820 [0,1,0,1,0,0|2,0,0]=4 24105 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100000747473_100015423560 [0,1,0,1,0,0|2,0,0]=4 24106 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100015423560_100000747473 [0,1,0,1,0,0|2,0,0]=4 24107 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000038908_100000747473 [0,1,0,1,0,0|2,0,0]=4 24108 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000747473_100000038908 [0,1,0,1,0,0|2,0,0]=4 24109 B12R1.125 N[C@@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_100015191688_100020667443 [0,1,0,1,0,0|2,0,0]=4 24110 B12R1.125 O=C(O)CNC1CCCCC1F 269956a_100016091260_100015423560 [0,1,0,1,0,0|2,0,0]=4 24111 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [0,1,0,1,0,0|2,0,0]=4 24112 B12R1.125 O=C([O-])CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100020667443 [0,1,0,1,0,0|2,0,0]=4 24113 B12R1.125 O=C([O-])COC1CCCCC1Cl 34a_100000038908_100020667443 [0,1,0,1,0,0|2,0,0]=4 24114 B12R1.125 O=C([O-])CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100020667443 [0,1,0,1,0,0|2,0,0]=4 24115 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100015423560_100020667443 [0,1,0,1,0,0|2,0,0]=4 24116 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100020667443_100015423560 [0,1,0,1,0,0|2,0,0]=4 24117 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100000038908_100020667443 [0,1,0,1,0,0|2,0,0]=4 24118 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100020667443_100000038908 [0,1,0,1,0,0|2,0,0]=4 24119 B12R1.125 O=C1CCCCC1NCC(F)F 34a_100000765723_100000754470 [0,1,0,1,0,0|2,0,0]=4 24120 B12R1.125 O=C1CCCCC1OCC(F)F 34a_100000743014_100000754470 [0,1,0,1,0,0|2,0,0]=4 24121 B12R1.125 O=C1CCCCC1OCC(F)F 34a_100011214950_100011934356 [0,1,0,1,0,0|2,0,0]=4 24122 B12R1.125 O=C1CCCCC1SCC(F)F 62a_100000204591_100011934356 [0,1,0,1,0,0|2,0,0]=4 24123 B12R1.125 O=C1CCCCC1SCC(F)F 62a_100011934356_100000204591 [0,1,0,1,0,0|2,0,0]=4 24124 B12R1.125 [13CH3]C(=O)CCN1CCCCC1=O 1458a_100011236303_200025704644 [0,1,0,1,0,0|1,0,1]=4 24125 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,1,0,1,0,0|1,0,0]=3 24126 B12R1.130 C=C(C)CCOC1CCCC1=O 34a_100000764851_100000709159 [0,1,0,1,0,0|1,0,1]=4 24127 B12R1.130 C=C(C)CCOC1CCCC1=O 34a_200000719330_100000730704 [0,1,0,1,0,0|1,0,1]=4 24128 B12R1.130 C=C(C)CCOC1CCCC1C 34a_100011216460_100000730704 [0,1,0,1,0,0|2,0,0]=4 24129 B12R1.130 C=C(C)CCOC1CCCC1C 7a_100011216460_100000730704 [0,1,0,1,0,0|2,0,0]=4 24130 B12R1.130 C=C(C)CCSC1CCCC1=O 62a_100000211823_100000730704 [0,1,0,1,0,0|1,0,1]=4 24131 B12R1.130 C=C(C)CCSC1CCCC1=O 62a_100000730704_100000211823 [0,1,0,1,0,0|1,0,1]=4 24132 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011215641 [0,1,0,1,0,0|1,0,0]=3 24133 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011215641 [0,1,0,1,0,0|1,0,0]=3 24134 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000685027 [0,1,0,1,0,0|1,0,0]=3 24135 B12R1.130 CC(=O)CCCN1CCSC1C 269982a_200011216479_100011215641 [0,1,0,1,0,0|2,0,0]=4 24136 B12R1.130 CC(=O)CCCN1CCSC1C 34a_200011216479_100000685027 [0,1,0,1,0,0|2,0,0]=4 24137 B12R1.130 CC(=O)CCOC1CCCC1=O 34a_100000759926_100000709159 [0,1,0,1,0,0|1,0,1]=4 24138 B12R1.130 CC(=O)CCOC1CCCC1=O 7a_100000759926_100000211823 [0,1,0,1,0,0|1,0,1]=4 24139 B12R1.130 CC(=O)CCOC1CCCC1C 7a_100011216460_100000053229 [0,1,0,1,0,0|1,0,0]=3 24140 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000053229_100000211823 [0,1,0,1,0,0|1,0,1]=4 24141 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000211823_100000053229 [0,1,0,1,0,0|1,0,1]=4 24142 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000053229_200016002552 [0,1,0,1,0,0|2,0,0]=4 24143 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000053229 [0,1,0,1,0,0|2,0,0]=4 24144 B12R1.130 CC(=O)NCCC1CCCN1C 240690a_100011219722_100015343762 [0,1,0,1,0,0|2,0,0]=4 24145 B12R1.130 CC(=O)NCCC1CCCN1C 527a_100011219722_100103153847 [0,1,0,1,0,0|2,0,0]=4 24146 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 2230a_100020605311_100000189650 [0,1,0,1,0,0|2,0,0]=4 24147 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 269982a_100020605311_100000189650 [0,1,0,1,0,0|2,0,0]=4 24148 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 2230a_100015189458_100000189650 [0,1,0,1,0,0|2,0,0]=4 24149 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 269982a_100015189458_100000189650 [0,1,0,1,0,0|2,0,0]=4 24150 B12R1.130 CC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_100009814007 [0,1,0,1,0,0|2,0,0]=4 24151 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_100009814007 [0,1,0,1,0,0|2,0,0]=4 24152 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 34a_100015189458_100009814007 [0,1,0,1,0,0|2,0,0]=4 24153 B12R1.130 CC(=O)OCOC1CCCC1C 34a_100011216460_100009813279 [0,1,0,1,0,0|2,0,0]=4 24154 B12R1.130 CC(Br)CCOC1CCCC1=O 34a_100009893172_100000709159 [0,1,0,1,0,0|1,0,0]=3 24155 B12R1.130 CC(Br)CCOC1CCOC1=O 34a_100009893172_100000211211 [0,1,0,1,0,0|2,0,0]=4 24156 B12R1.130 CC(C)CCNC1CCNC1=O 2230a_100016995588_100000210312 [0,1,0,1,0,0|2,0,0]=4 24157 B12R1.130 CC(C)CCNC1CCNC1=O 34a_100016995588_100000210312 [0,1,0,1,0,0|2,0,0]=4 24158 B12R1.130 CC(C)CCOC1CCCC1=O 34a_100000210254_100000709159 [0,1,0,1,0,0|1,0,0]=3 24159 B12R1.130 CC(C)CCOC1CCCC1=O 34a_200000719330_100000210312 [0,1,0,1,0,0|1,0,0]=3 24160 B12R1.130 CC(C)CCOC1CCCC1=O 7a_100000210254_100000211823 [0,1,0,1,0,0|1,0,0]=3 24161 B12R1.130 CC(C)CCOC1CCOC1=O 34a_100000210254_100000211211 [0,1,0,1,0,0|2,0,0]=4 24162 B12R1.130 CC(C)CCOC1CCOC1=O 7a_100000210254_100000211211 [0,1,0,1,0,0|2,0,0]=4 24163 B12R1.130 CC(C)CCO[C@H]1CCNC1=O 34a_100000688343_100000210312 [0,1,0,1,0,0|2,0,0]=4 24164 B12R1.130 CC(C)CCSC1CCCC1=O 62a_100000210312_100000211823 [0,1,0,1,0,0|1,0,0]=3 24165 B12R1.130 CC(C)CCSC1CCCC1=O 62a_100000211823_100000210312 [0,1,0,1,0,0|1,0,0]=3 24166 B12R1.130 CC(C)CCSC1CCOC1=O 62a_100000210312_100000211211 [0,1,0,1,0,0|2,0,0]=4 24167 B12R1.130 CC(C)CCSC1CCOC1=O 62a_100000211211_100000210312 [0,1,0,1,0,0|2,0,0]=4 24168 B12R1.130 CC(C)COCC1CCNC1=O 34a_100000133458_100000210624 [0,1,0,1,0,0|2,0,0]=4 24169 B12R1.130 CC(C)CSCN1CCCC1=O 62a_100000026320_100000210760 [0,1,0,1,0,0|2,0,0]=4 24170 B12R1.130 CC(C)CSCN1CCCC1=O 62a_100000210624_100000026320 [0,1,0,1,0,0|2,0,0]=4 24171 B12R1.130 CC(C)NCCN1CCCC1=O 2230a_100011200922_100000210206 [0,1,0,1,0,0|2,0,0]=4 24172 B12R1.130 CC(C)NCCN1CCCC1=O 2230a_100138425928_100000739059 [0,1,0,1,0,0|2,0,0]=4 24173 B12R1.130 CC(C)NCCN1CCCC1=O 34a_100138425928_100000739059 [0,1,0,1,0,0|2,0,0]=4 24174 B12R1.130 CC(C)OCCN1CCCC1=O 34a_100000211209_100000210206 [0,1,0,1,0,0|2,0,0]=4 24175 B12R1.130 CC(C)OCCN1CCCC1=O 34a_100000212225_100000739059 [0,1,0,1,0,0|2,0,0]=4 24176 B12R1.130 CC(C)OCCN1CCCC1=O 7a_100000211209_100000210206 [0,1,0,1,0,0|2,0,0]=4 24177 B12R1.130 CC(C)OCOC1CCCC1=O 34a_200000719330_100000709892 [0,1,0,1,0,0|2,0,0]=4 24178 B12R1.130 CC(C)OCSC1CCCC1=O 62a_100000211823_100000709892 [0,1,0,1,0,0|2,0,0]=4 24179 B12R1.130 CC(C)OCSC1CCCC1=O 62a_100000709892_100000211823 [0,1,0,1,0,0|2,0,0]=4 24180 B12R1.130 CC(C)SCCN1CCCC1=O 62a_100000210206_100000739059 [0,1,0,1,0,0|2,0,0]=4 24181 B12R1.130 CC(C)SCCN1CCCC1=O 62a_100000739059_100000210206 [0,1,0,1,0,0|2,0,0]=4 24182 B12R1.130 CC(O)CCNC1CCCC1=O 2230a_200000755665_100000211823 [0,1,0,1,0,0|1,0,0]=3 24183 B12R1.130 CC(O)CCNC1CCNC1=O 2230a_100016995588_100012276601 [0,1,0,1,0,0|2,0,0]=4 24184 B12R1.130 CC(O)CCNC1CCNC1=O 34a_100016995588_100012276601 [0,1,0,1,0,0|2,0,0]=4 24185 B12R1.130 CC(O)CCNC1CCOC1=O 2230a_200000755665_100000211211 [0,1,0,1,0,0|2,0,0]=4 24186 B12R1.130 CC(O)CCOC1CCCC1=O 34a_200000719330_100012276601 [0,1,0,1,0,0|1,0,0]=3 24187 B12R1.130 CC(O)CCO[C@H]1CCNC1=O 34a_100000688343_100012276601 [0,1,0,1,0,0|2,0,0]=4 24188 B12R1.130 CC(O)CCSC1CCCC1=O 62a_100000211823_100012276601 [0,1,0,1,0,0|1,0,0]=3 24189 B12R1.130 CC(O)CCSC1CCCC1=O 62a_100012276601_100000211823 [0,1,0,1,0,0|1,0,0]=3 24190 B12R1.130 CC(O)CCSC1CCOC1=O 62a_100000211211_100012276601 [0,1,0,1,0,0|2,0,0]=4 24191 B12R1.130 CC(O)CCSC1CCOC1=O 62a_100012276601_100000211211 [0,1,0,1,0,0|2,0,0]=4 24192 B12R1.130 CC(O)COCC1CCNC1=O 34a_100000133458_100011218427 [0,1,0,1,0,0|2,0,0]=4 24193 B12R1.130 CC(O)CSCN1CCCC1=O 62a_100000026320_100011218427 [0,1,0,1,0,0|2,0,0]=4 24194 B12R1.130 CC(O)CSCN1CCCC1=O 62a_100011218427_100000026320 [0,1,0,1,0,0|2,0,0]=4 24195 B12R1.130 CC1CCCC1NCCC(=O)N 269862a_100000740010_100000752053 [0,1,0,1,0,0|1,0,0]=3 24196 B12R1.130 CC1CCCC1OCCC(=O)N 34a_100011216460_100000731001 [0,1,0,1,0,0|1,0,0]=3 24197 B12R1.130 CC1CCCC1OCCC(=O)N 7a_100011216460_100000744528 [0,1,0,1,0,0|1,0,0]=3 24198 B12R1.130 CC1SCCN1CCCC(=O)N 269982a_200011216479_100102525003 [0,1,0,1,0,0|2,0,0]=4 24199 B12R1.130 CC1SCCN1CCCC(=O)N 34a_200011216479_100102525003 [0,1,0,1,0,0|2,0,0]=4 24200 B12R1.130 CN(C)CCSC1CCCC1=O 62a_100000211823_100000755713 [0,1,0,1,0,0|2,0,0]=4 24201 B12R1.130 CN1CCCC1COCC(=O)N 34a_100000743107_100000187820 [0,1,0,1,0,0|2,0,0]=4 24202 B12R1.130 CN1CCCC1COCC(=O)[O-] 34a_100000743107_100020667443 [0,1,0,1,0,0|2,0,0]=4 24203 B12R1.130 C[C@@H](N)CCOC1CCCC1=O 34a_100000706166_100000709159 [0,1,0,1,0,0|1,0,0]=3 24204 B12R1.130 C[C@@H](N)CCOC1CCOC1=O 34a_100000706166_100000211211 [0,1,0,1,0,0|2,0,0]=4 24205 B12R1.130 C[C@@H](O)COCC1CCNC1=O 34a_100000133458_100009817552 [0,1,0,1,0,0|2,0,0]=4 24206 B12R1.130 C[C@@H](O)CSCN1CCCC1=O 62a_100000026320_100009817552 [0,1,0,1,0,0|2,0,0]=4 24207 B12R1.130 C[C@@H](O)CSCN1CCCC1=O 62a_100009817552_100000026320 [0,1,0,1,0,0|2,0,0]=4 24208 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 269982a_100015189458_100102525003 [0,1,0,1,0,0|1,0,0]=3 24209 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 34a_100015189458_100102525003 [0,1,0,1,0,0|1,0,0]=3 24210 B12R1.130 C[C@@H]1CCCN1CCNC(=O)N 2230a_100015189458_200000034859 [0,1,0,1,0,0|2,0,0]=4 24211 B12R1.130 C[C@@H]1CCCN1CCNC(=O)N 269982a_100015189458_200000034859 [0,1,0,1,0,0|2,0,0]=4 24212 B12R1.130 C[C@@H]1CCCN1CCOC(=O)N 269982a_100015189458_200011214921 [0,1,0,1,0,0|2,0,0]=4 24213 B12R1.130 C[C@@H]1CCCN1CCOC(=O)N 34a_100015189458_200011214921 [0,1,0,1,0,0|2,0,0]=4 24214 B12R1.130 C[C@@H]1CNC[C@@H]1OCCC(=O)N 34a_200015306588_100000731001 [0,1,0,1,0,0|2,0,0]=4 24215 B12R1.130 C[C@H]1CCCN1CCCC(=O)N 269982a_100020605311_100102525003 [0,1,0,1,0,0|1,0,0]=3 24216 B12R1.130 C[C@H]1CCCN1CCNC(=O)N 2230a_100020605311_200000034859 [0,1,0,1,0,0|2,0,0]=4 24217 B12R1.130 C[C@H]1CCCN1CCNC(=O)N 269982a_100020605311_200000034859 [0,1,0,1,0,0|2,0,0]=4 24218 B12R1.130 C[C@H]1CCCN1CCOC(=O)N 269982a_100020605311_200011214921 [0,1,0,1,0,0|2,0,0]=4 24219 B12R1.130 NC(=O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000731001 [0,1,0,1,0,0|2,0,0]=4 24220 B12R1.130 NC(=O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000731001 [0,1,0,1,0,0|2,0,0]=4 24221 B12R1.130 NC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000744528_200016002552 [0,1,0,1,0,0|2,0,0]=4 24222 B12R1.130 NC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000744528 [0,1,0,1,0,0|2,0,0]=4 24223 B12R1.130 O=C1CCCC1OCCC(F)F 34a_100103093639_100000709159 [0,1,0,1,0,0|2,0,0]=4 24224 B12R1.143 CC(=O)CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009817362 [0,1,0,1,0,0|2,0,0]=4 24225 B12R1.143 CC(=O)CCCOCC1CC1C 34a_100000744939_100000685027 [0,1,0,1,0,0|1,0,0]=3 24226 B12R1.143 CC(=O)CCCOCC1CC1C 7a_100000744939_100011215641 [0,1,0,1,0,0|1,0,0]=3 24227 B12R1.143 CC(=O)NCCOCC1CC1C 7a_100000744939_100000189650 [0,1,0,1,0,0|2,0,0]=4 24228 B12R1.143 CC(=O)OCCOCC1CC1C 34a_100000744939_100009814007 [0,1,0,1,0,0|2,0,0]=4 24229 B12R1.143 CC(=O)OCCOCC1CC1C 7a_100000744939_100009814007 [0,1,0,1,0,0|2,0,0]=4 24230 B12R1.143 CC1CC1COCCCC(=O)N 34a_100000744939_100102525003 [0,1,0,1,0,0|1,0,0]=3 24231 B12R1.143 CC1CC1COCCCC(=O)N 7a_100000744939_100102525003 [0,1,0,1,0,0|1,0,0]=3 24232 B12R1.143 CC1CC1COCCNC(=O)N 7a_100000744939_200000034859 [0,1,0,1,0,0|2,0,0]=4 24233 B12R1.143 CC1CC1COCCOC(=O)N 34a_100000744939_200011214921 [0,1,0,1,0,0|2,0,0]=4 24234 B12R1.143 CC1CC1COCCOC(=O)N 7a_100000744939_200011214921 [0,1,0,1,0,0|2,0,0]=4 24235 B12R1.162 COCC1CCN1CCC(=O)C 269982a_100015195929_100000053229 [0,1,0,1,0,0|2,0,0]=4 24236 B12R1.162 COCC1CCN1CCC(=O)N 2230a_100015195929_100000744528 [0,1,0,1,0,0|2,0,0]=4 24237 B12R1.162 COCC1CCN1CCC(=O)N 269982a_100015195929_100000744528 [0,1,0,1,0,0|2,0,0]=4 24238 B12R1.162 COCC1CCN1CCC(=O)N 34a_100015195929_100000731001 [0,1,0,1,0,0|2,0,0]=4 24239 B12R1.210 CC(=O)CN1CCCCCC1=O 1458a_100000181294_200000210301 [0,1,0,1,0,0|1,0,1]=4 24240 B12R1.210 CC(C)CC1CCCCCN1C 2230a_100000759364_200000210301 [0,1,0,1,0,0|2,0,0]=4 24241 B12R1.210 CC(C)CC1CCCCCN1C 269982a_100000759364_200000210301 [0,1,0,1,0,0|2,0,0]=4 24242 B12R1.210 CC(C)CC1CCCCCN1C 34a_100000759364_200000210301 [0,1,0,1,0,0|2,0,0]=4 24243 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 2230a_100000759364_200025704644 [0,1,0,1,0,0|2,0,0]=4 24244 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 269982a_100000759364_200025704644 [0,1,0,1,0,0|2,0,0]=4 24245 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 34a_100000759364_200025704644 [0,1,0,1,0,0|2,0,0]=4 24246 B12R1.210 CC(C)NC1CCCCNC1=O 2230a_100000698827_100000210206 [0,1,0,1,0,0|2,0,0]=4 24247 B12R1.210 CC(C)NC1CCCCNC1=O 2230a_100138425928_100000735217 [0,1,0,1,0,0|2,0,0]=4 24248 B12R1.210 CC(C)NC1CCCCNC1=O 34a_100000698827_100000210206 [0,1,0,1,0,0|2,0,0]=4 24249 B12R1.210 CC(C)SC1CCCCCC1=O 62a_100000210206_100000243696 [0,1,0,1,0,0|1,0,0]=3 24250 B12R1.210 CC(C)SC1CCCCCC1=O 62a_100000243696_100000210206 [0,1,0,1,0,0|1,0,0]=3 24251 B12R1.210 CC(C)SC1CCCCNC1=O 62a_100000210206_100000735217 [0,1,0,1,0,0|2,0,0]=4 24252 B12R1.210 CC(C)SC1CCCCNC1=O 62a_100000735217_100000210206 [0,1,0,1,0,0|2,0,0]=4 24253 B12R1.210 [13CH3]C(=O)CN1CCCCCC1=O 1458a_100000181294_200025704644 [0,1,0,1,0,0|1,0,1]=4 24254 B12R1.229 C=C(C)CSCCC1CCC1=O 62a_100000748629_200016118888 [0,1,0,1,0,0|1,0,1]=4 24255 B12R1.229 C=C(C)CSCCC1CCC1=O 62a_200016118888_100000211660 [0,1,0,1,0,0|1,0,1]=4 24256 B12R1.229 CC(=O)CCCCN1CCC1C 269982a_100000755817_100000735457 [0,1,0,1,0,0|1,0,0]=3 24257 B12R1.229 CC(=O)CCCCN1CCC1C 34a_100000755817_100009817362 [0,1,0,1,0,0|1,0,0]=3 24258 B12R1.229 CC(=O)CCCOC1CCC1=O 34a_100000759063_100009892977 [0,1,0,1,0,0|1,0,1]=4 24259 B12R1.229 CC(=O)CCCOC1CCC1=O 7a_100000759063_100009892977 [0,1,0,1,0,0|1,0,1]=4 24260 B12R1.229 CC(=O)CCCSC1CCC1=O 62a_100009892977_100011215641 [0,1,0,1,0,0|1,0,1]=4 24261 B12R1.229 CC(=O)CCCSC1CCC1=O 62a_100011215641_100009892977 [0,1,0,1,0,0|1,0,1]=4 24262 B12R1.229 CC(=O)OCCCN1CCC1C 269982a_100000755817_100000042594 [0,1,0,1,0,0|2,0,0]=4 24263 B12R1.229 CC(=O)OCCCN1CCC1C 34a_100000755817_100000042594 [0,1,0,1,0,0|2,0,0]=4 24264 B12R1.229 CC(=O)SCCCN1CCC1C 269982a_100000755817_100000038929 [0,1,0,1,0,0|2,0,0]=4 24265 B12R1.229 CC(=O)SCCCN1CCC1C 34a_100000755817_100000038929 [0,1,0,1,0,0|2,0,0]=4 24266 B12R1.229 CC(C)CCCNC1CCC1=O 34a_200000737386_100009892977 [0,1,0,1,0,0|1,0,0]=3 24267 B12R1.229 CC(C)CCCOC1CCC1=O 34a_100000210774_100009892977 [0,1,0,1,0,0|1,0,0]=3 24268 B12R1.229 CC(C)CCCOC1CCC1=O 7a_100000210774_100009892977 [0,1,0,1,0,0|1,0,0]=3 24269 B12R1.229 CC(C)CCCSC1CCC1=O 62a_100009892977_100011214892 [0,1,0,1,0,0|1,0,0]=3 24270 B12R1.229 CC(C)CCCSC1CCC1=O 62a_100011214892_100009892977 [0,1,0,1,0,0|1,0,0]=3 24271 B12R1.229 CC(C)CNCCC1CCC1=O 2230a_100000210953_200016118888 [0,1,0,1,0,0|1,0,0]=3 24272 B12R1.229 CC(C)CSCCC1CCC1=O 62a_100000210624_200016118888 [0,1,0,1,0,0|1,0,0]=3 24273 B12R1.229 CC(C)CSCCC1CCC1=O 62a_200016118888_100000210760 [0,1,0,1,0,0|1,0,0]=3 24274 B12R1.229 CC(C)NCCOC1CCC1=O 34a_100000224655_100009892977 [0,1,0,1,0,0|2,0,0]=4 24275 B12R1.229 CC(C)OCCNC1CCC1=O 34a_100000701111_100009892977 [0,1,0,1,0,0|2,0,0]=4 24276 B12R1.229 CC(C)OCCOC1CCC1=O 34a_100000211219_100009892977 [0,1,0,1,0,0|2,0,0]=4 24277 B12R1.229 CC(C)OCCOC1CCC1=O 7a_100000211219_100009892977 [0,1,0,1,0,0|2,0,0]=4 24278 B12R1.229 CC(C)OCCSC1CCC1=O 62a_100000211751_100009892977 [0,1,0,1,0,0|2,0,0]=4 24279 B12R1.229 CC(C)OCCSC1CCC1=O 62a_100009892977_100000211751 [0,1,0,1,0,0|2,0,0]=4 24280 B12R1.229 CC(C)SCCNC1CCC1=O 34a_100000731138_100009892977 [0,1,0,1,0,0|2,0,0]=4 24281 B12R1.229 CC(C)SCCOC1CCC1=O 34a_200011212901_100009892977 [0,1,0,1,0,0|2,0,0]=4 24282 B12R1.229 CC(C)SCCOC1CCC1=O 7a_200011212901_100009892977 [0,1,0,1,0,0|2,0,0]=4 24283 B12R1.229 CC(C)SCCSC1CCC1=O 62a_100000730970_100009892977 [0,1,0,1,0,0|2,0,0]=4 24284 B12R1.229 CC(C)SCCSC1CCC1=O 62a_100009892977_100000730970 [0,1,0,1,0,0|2,0,0]=4 24285 B12R1.229 CC(O)CCCSC1CCC1=O 62a_100009892977_200000718107 [0,1,0,1,0,0|1,0,0]=3 24286 B12R1.229 CC(O)CCCSC1CCC1=O 62a_200000718107_100009892977 [0,1,0,1,0,0|1,0,0]=3 24287 B12R1.229 CC(O)CNCCC1CCC1=O 2230a_100000210904_200016118888 [0,1,0,1,0,0|1,0,0]=3 24288 B12R1.229 CC(O)CSCCC1CCC1=O 62a_100011218427_200016118888 [0,1,0,1,0,0|1,0,0]=3 24289 B12R1.229 CC(O)CSCCC1CCC1=O 62a_200016118888_100011218427 [0,1,0,1,0,0|1,0,0]=3 24290 B12R1.229 CC1CCN1CCOCC(=O)N 269982a_100000755817_100000076697 [0,1,0,1,0,0|2,0,0]=4 24291 B12R1.229 CC1CCN1CCOCC(=O)N 34a_100000755817_100000076697 [0,1,0,1,0,0|2,0,0]=4 24292 B12R1.229 CN(C)CCCSC1CCC1=O 62a_100009892977_100000757444 [0,1,0,1,0,0|2,0,0]=4 24293 B12R1.229 C[C@@H](O)CSCCC1CCC1=O 62a_100009817552_200016118888 [0,1,0,1,0,0|1,0,0]=3 24294 B12R1.229 C[C@@H](O)CSCCC1CCC1=O 62a_200016118888_100009817552 [0,1,0,1,0,0|1,0,0]=3 24295 B12R1.229 O=C1CCC1CCSCC(F)F 62a_100011934356_200016118888 [0,1,0,1,0,0|2,0,0]=4 24296 B12R1.229 O=C1CCC1CCSCC(F)F 62a_200016118888_100011934356 [0,1,0,1,0,0|2,0,0]=4 24297 B12R1.252 C=C(Br)CCOC1CCCCC1 34a_100009813270_100000210327 [0,1,0,1,0,0|2,0,0]=4 24298 B12R1.252 C=C(C)CCNC1CCCCC1 2230a_100000182618_100000730704 [0,1,0,1,0,0|2,0,0]=4 24299 B12R1.252 C=C(C)CCNC1CCCCC1 34a_100000182618_100000730704 [0,1,0,1,0,0|2,0,0]=4 24300 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000210231_100000730704 [0,1,0,1,0,0|2,0,0]=4 24301 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000764851_100000210327 [0,1,0,1,0,0|2,0,0]=4 24302 B12R1.252 C=C(C)CCOC1CCCCC1 7a_100000210231_100000730704 [0,1,0,1,0,0|2,0,0]=4 24303 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000210327_100000730704 [0,1,0,1,0,0|2,0,0]=4 24304 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000730704_100000210327 [0,1,0,1,0,0|2,0,0]=4 24305 B12R1.252 C=C(C)CNCC1CCCCC1 2230a_100000210473_100000748629 [0,1,0,1,0,0|2,0,0]=4 24306 B12R1.252 C=C(C)CNCC1CCCCC1 34a_100000210473_100000748629 [0,1,0,1,0,0|2,0,0]=4 24307 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000210245_100000211423 [0,1,0,1,0,0|2,0,0]=4 24308 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000212181_100000748629 [0,1,0,1,0,0|2,0,0]=4 24309 B12R1.252 C=C(C)COCC1CCCCC1 7a_100000212181_100000748629 [0,1,0,1,0,0|2,0,0]=4 24310 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000211423_100000211660 [0,1,0,1,0,0|2,0,0]=4 24311 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000748629_100000211423 [0,1,0,1,0,0|2,0,0]=4 24312 B12R1.252 C=C(F)CNCC1CCCCC1 2230a_100000210473_100009893438 [0,1,0,1,0,0|2,0,0]=4 24313 B12R1.252 C=C(F)CNCC1CCCCC1 34a_100000210473_100009893438 [0,1,0,1,0,0|2,0,0]=4 24314 B12R1.252 C=C(F)COCC1CCCCC1 34a_100000212181_100009893438 [0,1,0,1,0,0|2,0,0]=4 24315 B12R1.252 C=C(F)COCC1CCCCC1 34a_200010262243_100000211423 [0,1,0,1,0,0|2,0,0]=4 24316 B12R1.252 C=C(F)COCC1CCCCC1 7a_100000212181_100000042424 [0,1,0,1,0,0|2,0,0]=4 24317 B12R1.252 C=C(F)CSCC1CCCCC1 62a_100000042424_100000211423 [0,1,0,1,0,0|2,0,0]=4 24318 B12R1.252 C=C(F)CSCC1CCCCC1 62a_100000211423_100000042424 [0,1,0,1,0,0|2,0,0]=4 24319 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,1,0,1,0,0|0,0,0]=2 24320 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,1,0,1,0,0|0,0,0]=2 24321 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000070787_100000690320 [0,1,0,1,0,0|1,0,0]=3 24322 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000742516_200000210301 [0,1,0,1,0,0|1,0,0]=3 24323 B12R1.252 CC(=O)CCCN1CCCOC1 269982a_100000131196_100011215641 [0,1,0,1,0,0|2,0,0]=4 24324 B12R1.252 CC(=O)CCCN1CCCOC1 34a_100000131196_100000685027 [0,1,0,1,0,0|2,0,0]=4 24325 B12R1.252 CC(=O)CCCN1CCOCC1 1458a_100000070787_100000748698 [0,1,0,1,0,0|2,0,0]=4 24326 B12R1.252 CC(=O)CCCN1CCOCC1 269982a_100015191051_100011215641 [0,1,0,1,0,0|2,0,0]=4 24327 B12R1.252 CC(=O)CCCN1CCOCC1 34a_100015191051_100000685027 [0,1,0,1,0,0|2,0,0]=4 24328 B12R1.252 CC(=O)CCCN1CCSCC1 269982a_100000737611_100011215641 [0,1,0,1,0,0|2,0,0]=4 24329 B12R1.252 CC(=O)CCOC1CCCCC1 1458a_100000070787_100011211530 [0,1,0,1,0,0|1,0,0]=3 24330 B12R1.252 CC(=O)CCOC1CCCCC1 34a_100000759926_100000210327 [0,1,0,1,0,0|1,0,0]=3 24331 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000210231_100000053229 [0,1,0,1,0,0|1,0,0]=3 24332 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000759926_100000210327 [0,1,0,1,0,0|1,0,0]=3 24333 B12R1.252 CC(=O)CCOC1CCCCO1 1458a_100000070787_100000744793 [0,1,0,1,0,0|2,0,0]=4 24334 B12R1.252 CC(=O)CCOC1CCCOC1 34a_100000759926_100000693364 [0,1,0,1,0,0|2,0,0]=4 24335 B12R1.252 CC(=O)CCOC1CCCOC1 7a_100000759926_100000693364 [0,1,0,1,0,0|2,0,0]=4 24336 B12R1.252 CC(=O)CCOC1CCCSC1 7a_100015962668_100000053229 [0,1,0,1,0,0|2,0,0]=4 24337 B12R1.252 CC(=O)CCOC1CCOCC1 7a_100000759926_100000686592 [0,1,0,1,0,0|2,0,0]=4 24338 B12R1.252 CC(=O)CCOC1CCSCC1 34a_100000759926_100000069128 [0,1,0,1,0,0|2,0,0]=4 24339 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000731022_100000053229 [0,1,0,1,0,0|2,0,0]=4 24340 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000759926_100011500858 [0,1,0,1,0,0|2,0,0]=4 24341 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000053229_100000210327 [0,1,0,1,0,0|1,0,0]=3 24342 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000210327_100000053229 [0,1,0,1,0,0|1,0,0]=3 24343 B12R1.252 CC(=O)CCSC1CCCOC1 62a_100000053229_100000693364 [0,1,0,1,0,0|2,0,0]=4 24344 B12R1.252 CC(=O)CCSC1CCOCC1 62a_100000053229_100011324220 [0,1,0,1,0,0|2,0,0]=4 24345 B12R1.252 CC(=O)CCSC1CCSCC1 62a_100000053229_100000069128 [0,1,0,1,0,0|2,0,0]=4 24346 B12R1.252 CC(=O)COCC1CCCCC1 34a_100000211253_100000211423 [0,1,0,1,0,0|1,0,0]=3 24347 B12R1.252 CC(=O)COCC1CCCCO1 1458a_100011223378_200000210301 [0,1,0,1,0,0|2,0,0]=4 24348 B12R1.252 CC(=O)COCC1CCCCO1 34a_100000211253_100000211543 [0,1,0,1,0,0|2,0,0]=4 24349 B12R1.252 CC(=O)COCC1CCCOC1 34a_100000211253_100000741521 [0,1,0,1,0,0|2,0,0]=4 24350 B12R1.252 CC(=O)COCC1CCOCC1 34a_100000211253_100000754603 [0,1,0,1,0,0|2,0,0]=4 24351 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [0,1,0,1,0,0|1,0,0]=3 24352 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [0,1,0,1,0,0|1,0,0]=3 24353 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [0,1,0,1,0,0|1,0,0]=3 24354 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [0,1,0,1,0,0|1,0,0]=3 24355 B12R1.252 CC(=O)NCCC1CCCCO1 11a_100015183643_100015343762 [0,1,0,1,0,0|2,0,0]=4 24356 B12R1.252 CC(=O)NCCC1CCCCO1 1626a_100015183643_100015343762 [0,1,0,1,0,0|2,0,0]=4 24357 B12R1.252 CC(=O)NCCC1CCCCO1 240690a_100015183643_100015343762 [0,1,0,1,0,0|2,0,0]=4 24358 B12R1.252 CC(=O)NCCC1CCCCO1 527a_100015183643_100103153847 [0,1,0,1,0,0|2,0,0]=4 24359 B12R1.252 CC(=O)NCCC1CCOCC1 11a_100000755988_100015343762 [0,1,0,1,0,0|2,0,0]=4 24360 B12R1.252 CC(=O)NCCC1CCOCC1 1626a_100000755988_100015343762 [0,1,0,1,0,0|2,0,0]=4 24361 B12R1.252 CC(=O)NCCC1CCOCC1 240690a_100000755988_100015343762 [0,1,0,1,0,0|2,0,0]=4 24362 B12R1.252 CC(=O)NCCC1CCOCC1 527a_100000755988_100103153847 [0,1,0,1,0,0|2,0,0]=4 24363 B12R1.252 CC(=O)NCCN1CCCCC1 240690a_100000216509_100015343762 [0,1,0,1,0,0|2,0,0]=4 24364 B12R1.252 CC(=O)NCCN1CCCCC1 527a_100000216509_100103153847 [0,1,0,1,0,0|2,0,0]=4 24365 B12R1.252 CC(=O)NNCC1CCCCC1 22a_100000740227_100000070787 [0,1,0,1,0,0|2,0,0]=4 24366 B12R1.252 CC(=O)OCNC1CCCCC1 34a_100000182618_100009813279 [0,1,0,1,0,0|2,0,0]=4 24367 B12R1.252 CC(=O)OCOC1CCCCC1 34a_100000210231_100009813279 [0,1,0,1,0,0|2,0,0]=4 24368 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000076356_100000210327 [0,1,0,1,0,0|2,0,0]=4 24369 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000210327_100000076356 [0,1,0,1,0,0|2,0,0]=4 24370 B12R1.252 CC(C)CCOC1C=CCCC1 34a_100011215024_100000210312 [0,1,0,1,0,0|2,0,0]=4 24371 B12R1.252 CC(C)CCOC1C=CCCC1 7a_100000210254_100000751183 [0,1,0,1,0,0|2,0,0]=4 24372 B12R1.252 CC(C)CCSC1C=CCCC1 62a_100000210312_100000751183 [0,1,0,1,0,0|2,0,0]=4 24373 B12R1.252 CC(C)CCSC1C=CCCC1 62a_100000751183_100000210312 [0,1,0,1,0,0|2,0,0]=4 24374 B12R1.252 CC(O)CCNC1C=CCCC1 2230a_200000755665_100000751183 [0,1,0,1,0,0|2,0,0]=4 24375 B12R1.252 CC(O)CCOC1C=CCCC1 34a_100011215024_100012276601 [0,1,0,1,0,0|2,0,0]=4 24376 B12R1.252 CC(O)CCSC1C=CCCC1 62a_100000751183_100012276601 [0,1,0,1,0,0|2,0,0]=4 24377 B12R1.252 CC(O)CCSC1C=CCCC1 62a_100012276601_100000751183 [0,1,0,1,0,0|2,0,0]=4 24378 B12R1.252 CN(C)CCCC1CCCCC1 2230a_100102631434_100011713725 [0,1,0,1,0,0|2,0,0]=4 24379 B12R1.252 CN(C)CCCC1CCCCC1 269982a_100102631434_100011713725 [0,1,0,1,0,0|2,0,0]=4 24380 B12R1.252 NC(=O)CCCN1CCCOC1 269982a_100000131196_100102525003 [0,1,0,1,0,0|2,0,0]=4 24381 B12R1.252 NC(=O)CCCN1CCCOC1 34a_100000131196_100102525003 [0,1,0,1,0,0|2,0,0]=4 24382 B12R1.252 NC(=O)CCCN1CCOCC1 269982a_100015191051_100102525003 [0,1,0,1,0,0|2,0,0]=4 24383 B12R1.252 NC(=O)CCCN1CCOCC1 34a_100015191051_100102525003 [0,1,0,1,0,0|2,0,0]=4 24384 B12R1.252 NC(=O)CCCN1CCSCC1 269982a_100000737611_100102525003 [0,1,0,1,0,0|2,0,0]=4 24385 B12R1.252 NC(=O)CCNC1CCCCC1 2230a_100000182618_100000744528 [0,1,0,1,0,0|1,0,0]=3 24386 B12R1.252 NC(=O)CCNC1CCCCC1 34a_100000182618_100000731001 [0,1,0,1,0,0|1,0,0]=3 24387 B12R1.252 NC(=O)CCNC1CCCOC1 2230a_100000719290_100000744528 [0,1,0,1,0,0|2,0,0]=4 24388 B12R1.252 NC(=O)CCNC1CCCOC1 34a_100000719290_100000731001 [0,1,0,1,0,0|2,0,0]=4 24389 B12R1.252 NC(=O)CCNC1CCOCC1 2230a_100000741149_100000744528 [0,1,0,1,0,0|2,0,0]=4 24390 B12R1.252 NC(=O)CCNC1CCOCC1 34a_100000741149_100000731001 [0,1,0,1,0,0|2,0,0]=4 24391 B12R1.252 NC(=O)CCNC1CCSCC1 2230a_100000748639_100000744528 [0,1,0,1,0,0|2,0,0]=4 24392 B12R1.252 NC(=O)CCNC1CCSCC1 34a_100000748639_100000731001 [0,1,0,1,0,0|2,0,0]=4 24393 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000210231_100000731001 [0,1,0,1,0,0|1,0,0]=3 24394 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000757172_100000210327 [0,1,0,1,0,0|1,0,0]=3 24395 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000210231_100000744528 [0,1,0,1,0,0|1,0,0]=3 24396 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000757172_100000210327 [0,1,0,1,0,0|1,0,0]=3 24397 B12R1.252 NC(=O)CCOC1CCCCO1 34a_100000033831_100000731001 [0,1,0,1,0,0|2,0,0]=4 24398 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000754041_100000731001 [0,1,0,1,0,0|2,0,0]=4 24399 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000757172_100000693364 [0,1,0,1,0,0|2,0,0]=4 24400 B12R1.252 NC(=O)CCOC1CCCOC1 7a_100000757172_100000693364 [0,1,0,1,0,0|2,0,0]=4 24401 B12R1.252 NC(=O)CCOC1CCCSC1 7a_100015962668_100000744528 [0,1,0,1,0,0|2,0,0]=4 24402 B12R1.252 NC(=O)CCOC1CCOCC1 34a_100000744328_100000731001 [0,1,0,1,0,0|2,0,0]=4 24403 B12R1.252 NC(=O)CCOC1CCOCC1 7a_100000757172_100000686592 [0,1,0,1,0,0|2,0,0]=4 24404 B12R1.252 NC(=O)CCOC1CCSCC1 34a_100000731022_100000731001 [0,1,0,1,0,0|2,0,0]=4 24405 B12R1.252 NC(=O)CCOC1CCSCC1 34a_100000757172_100000069128 [0,1,0,1,0,0|2,0,0]=4 24406 B12R1.252 NC(=O)CCOC1CCSCC1 7a_100000731022_100000744528 [0,1,0,1,0,0|2,0,0]=4 24407 B12R1.252 NC(=O)CCOC1CCSCC1 7a_100000757172_100011500858 [0,1,0,1,0,0|2,0,0]=4 24408 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000210327_100000744528 [0,1,0,1,0,0|1,0,0]=3 24409 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000744528_100000210327 [0,1,0,1,0,0|1,0,0]=3 24410 B12R1.252 NC(=O)CCSC1CCCOC1 62a_100000744528_100000693364 [0,1,0,1,0,0|2,0,0]=4 24411 B12R1.252 NC(=O)CCSC1CCOCC1 62a_100000744528_100011324220 [0,1,0,1,0,0|2,0,0]=4 24412 B12R1.252 NC(=O)CCSC1CCSCC1 62a_100000744528_100000069128 [0,1,0,1,0,0|2,0,0]=4 24413 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000210473_100000747473 [0,1,0,1,0,0|1,0,0]=3 24414 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000711301_100000211423 [0,1,0,1,0,0|1,0,0]=3 24415 B12R1.252 NC(=O)CNCC1CCCCC1 34a_100000210473_100000187820 [0,1,0,1,0,0|1,0,0]=3 24416 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000174945_100000747473 [0,1,0,1,0,0|2,0,0]=4 24417 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000711301_100000211543 [0,1,0,1,0,0|2,0,0]=4 24418 B12R1.252 NC(=O)CNCC1CCCCO1 34a_100000174945_100000187820 [0,1,0,1,0,0|2,0,0]=4 24419 B12R1.252 NC(=O)CNCC1CCCOC1 2230a_100000711301_100000741521 [0,1,0,1,0,0|2,0,0]=4 24420 B12R1.252 NC(=O)CNCC1CCCOC1 2230a_100000720124_100000747473 [0,1,0,1,0,0|2,0,0]=4 24421 B12R1.252 NC(=O)CNCC1CCCOC1 34a_100000720124_100000187820 [0,1,0,1,0,0|2,0,0]=4 24422 B12R1.252 NC(=O)CNCC1CCOCC1 2230a_100000711301_100000754603 [0,1,0,1,0,0|2,0,0]=4 24423 B12R1.252 NC(=O)CNCC1CCOCC1 2230a_100000746373_100000747473 [0,1,0,1,0,0|2,0,0]=4 24424 B12R1.252 NC(=O)CNCC1CCOCC1 34a_100000746373_100000187820 [0,1,0,1,0,0|2,0,0]=4 24425 B12R1.252 NC(=O)CNCC1CCSCC1 2230a_100015188806_100000747473 [0,1,0,1,0,0|2,0,0]=4 24426 B12R1.252 NC(=O)CNCC1CCSCC1 34a_100015188806_100000187820 [0,1,0,1,0,0|2,0,0]=4 24427 B12R1.252 NC(=O)COCC1CCCCC1 34a_100000212181_100000187820 [0,1,0,1,0,0|1,0,0]=3 24428 B12R1.252 NC(=O)COCC1CCCCC1 7a_100000212181_100000187820 [0,1,0,1,0,0|1,0,0]=3 24429 B12R1.252 NC(=O)COCC1CCCCN1 34a_100000210821_100000187820 [0,1,0,1,0,0|2,0,0]=4 24430 B12R1.252 NC(=O)COCC1CCCCO1 34a_100000211370_100000187820 [0,1,0,1,0,0|2,0,0]=4 24431 B12R1.252 NC(=O)COCC1CCCCO1 7a_100000211370_100000187820 [0,1,0,1,0,0|2,0,0]=4 24432 B12R1.252 NC(=O)COCC1CCCNC1 34a_100000211344_100000187820 [0,1,0,1,0,0|2,0,0]=4 24433 B12R1.252 NC(=O)COCC1CCCOC1 34a_100000741520_100000187820 [0,1,0,1,0,0|2,0,0]=4 24434 B12R1.252 NC(=O)COCC1CCNCC1 34a_100000738675_100000187820 [0,1,0,1,0,0|2,0,0]=4 24435 B12R1.252 NC(=O)COCC1CCOCC1 34a_100000749013_100000187820 [0,1,0,1,0,0|2,0,0]=4 24436 B12R1.252 NC(=O)COCC1CCSCC1 34a_100000070558_100000187820 [0,1,0,1,0,0|2,0,0]=4 24437 B12R1.252 NC(=O)COCC1CCSCC1 7a_100000070558_100000187820 [0,1,0,1,0,0|2,0,0]=4 24438 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000211423_100000747473 [0,1,0,1,0,0|1,0,0]=3 24439 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000747473_100000211423 [0,1,0,1,0,0|1,0,0]=3 24440 B12R1.252 NC(=O)CSCC1CCCCO1 62a_100000211543_100000747473 [0,1,0,1,0,0|2,0,0]=4 24441 B12R1.252 NC(=O)CSCC1CCCCO1 62a_100000747473_100000211543 [0,1,0,1,0,0|2,0,0]=4 24442 B12R1.252 NC(=O)CSCC1CCCOC1 62a_100000741521_100000747473 [0,1,0,1,0,0|2,0,0]=4 24443 B12R1.252 NC(=O)CSCC1CCCOC1 62a_100000747473_100000741521 [0,1,0,1,0,0|2,0,0]=4 24444 B12R1.252 NC(=O)CSCC1CCOCC1 62a_100000747473_100000749018 [0,1,0,1,0,0|2,0,0]=4 24445 B12R1.252 NC(=O)CSCC1CCOCC1 62a_100000754603_100000747473 [0,1,0,1,0,0|2,0,0]=4 24446 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [0,1,0,1,0,0|1,0,0]=3 24447 B12R1.252 O=C(O)CNCC1CCCCO1 269956a_100016091260_100000211543 [0,1,0,1,0,0|2,0,0]=4 24448 B12R1.252 O=C(O)CNCC1CCCOC1 269956a_100016091260_100000741521 [0,1,0,1,0,0|2,0,0]=4 24449 B12R1.252 O=C(O)CNCC1CCOCC1 269956a_100016091260_100000754603 [0,1,0,1,0,0|2,0,0]=4 24450 B12R1.252 O=C(O)CONC1CCCCC1 269956a_100000106656_100000210327 [0,1,0,1,0,0|2,0,0]=4 24451 B12R1.252 O=C([O-])CNCC1CCCCC1 34a_100000210473_100020667443 [0,1,0,1,0,0|1,0,0]=3 24452 B12R1.252 O=C([O-])CNCC1CCCCO1 34a_100000174945_100020667443 [0,1,0,1,0,0|2,0,0]=4 24453 B12R1.252 O=C([O-])CNCC1CCCOC1 34a_100000720124_100020667443 [0,1,0,1,0,0|2,0,0]=4 24454 B12R1.252 O=C([O-])CNCC1CCOCC1 34a_100000746373_100020667443 [0,1,0,1,0,0|2,0,0]=4 24455 B12R1.252 O=C([O-])CNCC1CCSCC1 34a_100015188806_100020667443 [0,1,0,1,0,0|2,0,0]=4 24456 B12R1.252 O=C([O-])COCC1CCCCC1 34a_100000212181_100020667443 [0,1,0,1,0,0|1,0,0]=3 24457 B12R1.252 O=C([O-])COCC1CCCCN1 34a_100000210821_100020667443 [0,1,0,1,0,0|2,0,0]=4 24458 B12R1.252 O=C([O-])COCC1CCCCO1 34a_100000211370_100020667443 [0,1,0,1,0,0|2,0,0]=4 24459 B12R1.252 O=C([O-])COCC1CCCNC1 34a_100000211344_100020667443 [0,1,0,1,0,0|2,0,0]=4 24460 B12R1.252 O=C([O-])COCC1CCCOC1 34a_100000741520_100020667443 [0,1,0,1,0,0|2,0,0]=4 24461 B12R1.252 O=C([O-])COCC1CCNCC1 34a_100000738675_100020667443 [0,1,0,1,0,0|2,0,0]=4 24462 B12R1.252 O=C([O-])COCC1CCOCC1 34a_100000749013_100020667443 [0,1,0,1,0,0|2,0,0]=4 24463 B12R1.252 O=C([O-])COCC1CCSCC1 34a_100000070558_100020667443 [0,1,0,1,0,0|2,0,0]=4 24464 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100000211423_100020667443 [0,1,0,1,0,0|1,0,0]=3 24465 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100020667443_100000211423 [0,1,0,1,0,0|1,0,0]=3 24466 B12R1.252 O=C([O-])CSCC1CCCCO1 62a_100000211543_100020667443 [0,1,0,1,0,0|2,0,0]=4 24467 B12R1.252 O=C([O-])CSCC1CCCCO1 62a_100020667443_100000211543 [0,1,0,1,0,0|2,0,0]=4 24468 B12R1.252 O=C([O-])CSCC1CCCOC1 62a_100000741521_100020667443 [0,1,0,1,0,0|2,0,0]=4 24469 B12R1.252 O=C([O-])CSCC1CCCOC1 62a_100020667443_100000741521 [0,1,0,1,0,0|2,0,0]=4 24470 B12R1.252 O=C([O-])CSCC1CCOCC1 62a_100000754603_100020667443 [0,1,0,1,0,0|2,0,0]=4 24471 B12R1.252 O=C([O-])CSCC1CCOCC1 62a_100020667443_100000749018 [0,1,0,1,0,0|2,0,0]=4 24472 B12R1.252 O=[N+]([O-])CNCC1CCCCC1 34a_100000210473_100000761209 [0,1,0,1,0,0|2,0,0]=4 24473 B12R1.252 O=[N+]([O-])COCC1CCCCC1 34a_100000212181_100000761209 [0,1,0,1,0,0|2,0,0]=4 24474 B12R1.252 O=[N+]([O-])CSCC1CCCCC1 62a_100000211423_100000761209 [0,1,0,1,0,0|2,0,0]=4 24475 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,1,0,1,0,0|0,0,0]=2 24476 B12R1.252 [13CH3]C(=O)CCCN1CCCCC1 1458a_100000742516_200025704644 [0,1,0,1,0,0|1,0,0]=3 24477 B12R1.252 [13CH3]C(=O)COCC1CCCCO1 1458a_100011223378_200025704644 [0,1,0,1,0,0|2,0,0]=4 24478 B12R1.255 C=C(Br)CCOCC1CCCC1 34a_100009813270_100000740388 [0,1,0,1,0,0|2,0,0]=4 24479 B12R1.255 C=C(C)CCNCC1CCCC1 2230a_100000737975_100000730704 [0,1,0,1,0,0|2,0,0]=4 24480 B12R1.255 C=C(C)CCNCC1CCCC1 34a_100000737975_100000730704 [0,1,0,1,0,0|2,0,0]=4 24481 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000742336_100000730704 [0,1,0,1,0,0|2,0,0]=4 24482 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000764851_100000740388 [0,1,0,1,0,0|2,0,0]=4 24483 B12R1.255 C=C(C)CCOCC1CCCC1 7a_100000742336_100000730704 [0,1,0,1,0,0|2,0,0]=4 24484 B12R1.255 C=C(C)CCSCC1CCCC1 62a_100000730704_100000740388 [0,1,0,1,0,0|2,0,0]=4 24485 B12R1.255 C=C(C)CCSCC1CCCC1 62a_100000740388_100000730704 [0,1,0,1,0,0|2,0,0]=4 24486 B12R1.255 C=C(C)CNCCC1CCCC1 2230a_100000739158_100000748629 [0,1,0,1,0,0|2,0,0]=4 24487 B12R1.255 C=C(C)CNCCC1CCCC1 34a_100000739158_100000748629 [0,1,0,1,0,0|2,0,0]=4 24488 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000210245_100000760354 [0,1,0,1,0,0|2,0,0]=4 24489 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000749090_100000748629 [0,1,0,1,0,0|2,0,0]=4 24490 B12R1.255 C=C(C)COCCC1CCCC1 7a_100000749090_100000748629 [0,1,0,1,0,0|2,0,0]=4 24491 B12R1.255 C=C(C)CSCCC1CCCC1 62a_100000748629_100000760354 [0,1,0,1,0,0|2,0,0]=4 24492 B12R1.255 C=C(C)CSCCC1CCCC1 62a_100000760354_100000211660 [0,1,0,1,0,0|2,0,0]=4 24493 B12R1.255 C=C(F)CNCCC1CCCC1 2230a_100000739158_100009893438 [0,1,0,1,0,0|2,0,0]=4 24494 B12R1.255 C=C(F)CNCCC1CCCC1 34a_100000739158_100009893438 [0,1,0,1,0,0|2,0,0]=4 24495 B12R1.255 C=C(F)COCCC1CCCC1 34a_100000749090_100009893438 [0,1,0,1,0,0|2,0,0]=4 24496 B12R1.255 C=C(F)COCCC1CCCC1 34a_200010262243_100000760354 [0,1,0,1,0,0|2,0,0]=4 24497 B12R1.255 C=C(F)COCCC1CCCC1 7a_100000749090_100000042424 [0,1,0,1,0,0|2,0,0]=4 24498 B12R1.255 C=C(F)CSCCC1CCCC1 62a_100000042424_100000760354 [0,1,0,1,0,0|2,0,0]=4 24499 B12R1.255 C=C(F)CSCCC1CCCC1 62a_100000760354_100000042424 [0,1,0,1,0,0|2,0,0]=4 24500 B12R1.255 CC(=O)CCCCC1OCCO1 1458a_100000070787_100000034956 [0,1,0,1,0,0|2,0,0]=4 24501 B12R1.255 CC(=O)CCCCN1CCCC1 269982a_100000188435_100000735457 [0,1,0,1,0,0|1,0,0]=3 24502 B12R1.255 CC(=O)CCCCN1CCSC1 269982a_100011215254_100000735457 [0,1,0,1,0,0|2,0,0]=4 24503 B12R1.255 CC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200000210301 [0,1,0,1,0,0|2,0,0]=4 24504 B12R1.255 CC(=O)CCCNC1CCCC1 34a_100000211070_100000685027 [0,1,0,1,0,0|1,0,0]=3 24505 B12R1.255 CC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100000685027 [0,1,0,1,0,0|2,0,0]=4 24506 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000210269_100000685027 [0,1,0,1,0,0|1,0,0]=3 24507 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000759063_100000179811 [0,1,0,1,0,0|1,0,0]=3 24508 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000210269_100011215641 [0,1,0,1,0,0|1,0,0]=3 24509 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000759063_100000179811 [0,1,0,1,0,0|1,0,0]=3 24510 B12R1.255 CC(=O)CCCOC1CCCO1 34a_100000085407_100000685027 [0,1,0,1,0,0|2,0,0]=4 24511 B12R1.255 CC(=O)CCCOC1CCOC1 34a_100000759063_100000690089 [0,1,0,1,0,0|2,0,0]=4 24512 B12R1.255 CC(=O)CCCOC1CCOC1 7a_100000759063_100000731011 [0,1,0,1,0,0|2,0,0]=4 24513 B12R1.255 CC(=O)CCCOC1CCSC1 7a_100011232664_100011215641 [0,1,0,1,0,0|2,0,0]=4 24514 B12R1.255 CC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000685027 [0,1,0,1,0,0|2,0,0]=4 24515 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011215641_100000179811 [0,1,0,1,0,0|1,0,0]=3 24516 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011217020_100011215641 [0,1,0,1,0,0|1,0,0]=3 24517 B12R1.255 CC(=O)CCCSC1CCOC1 62a_100011215641_100000690089 [0,1,0,1,0,0|2,0,0]=4 24518 B12R1.255 CC(=O)CCOCC1CCCC1 34a_100000759926_100000740388 [0,1,0,1,0,0|1,0,0]=3 24519 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000742336_100000053229 [0,1,0,1,0,0|1,0,0]=3 24520 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000759926_100000740388 [0,1,0,1,0,0|1,0,0]=3 24521 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000210270_100000053229 [0,1,0,1,0,0|2,0,0]=4 24522 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000759926_100000203698 [0,1,0,1,0,0|2,0,0]=4 24523 B12R1.255 CC(=O)CCOCC1CCOC1 34a_100000759926_100011261433 [0,1,0,1,0,0|2,0,0]=4 24524 B12R1.255 CC(=O)CCOCC1CCOC1 7a_100000759926_100000702531 [0,1,0,1,0,0|2,0,0]=4 24525 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000053229_100000740388 [0,1,0,1,0,0|1,0,0]=3 24526 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000740388_100000053229 [0,1,0,1,0,0|1,0,0]=3 24527 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000053229_100000203698 [0,1,0,1,0,0|2,0,0]=4 24528 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000203698_100000053229 [0,1,0,1,0,0|2,0,0]=4 24529 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000053229_100000702531 [0,1,0,1,0,0|2,0,0]=4 24530 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000702531_100000053229 [0,1,0,1,0,0|2,0,0]=4 24531 B12R1.255 CC(=O)COCCC1CCCC1 34a_100000211253_100000760354 [0,1,0,1,0,0|1,0,0]=3 24532 B12R1.255 CC(=O)CSCCN1CCCC1 1458a_200015187850_200000210301 [0,1,0,1,0,0|2,0,0]=4 24533 B12R1.255 CC(=O)NCCCC1CCCC1 11a_100000736752_100015343762 [0,1,0,1,0,0|1,0,0]=3 24534 B12R1.255 CC(=O)NCCCC1CCCC1 1626a_100000736752_100015343762 [0,1,0,1,0,0|1,0,0]=3 24535 B12R1.255 CC(=O)NCCCC1CCCC1 240690a_100000736752_100015343762 [0,1,0,1,0,0|1,0,0]=3 24536 B12R1.255 CC(=O)NCCCC1CCCC1 527a_100000736752_100103153847 [0,1,0,1,0,0|1,0,0]=3 24537 B12R1.255 CC(=O)NCCCN1CCCC1 240690a_100000204695_100015343762 [0,1,0,1,0,0|2,0,0]=4 24538 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000209853_100000179811 [0,1,0,1,0,0|2,0,0]=4 24539 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000211070_100000189650 [0,1,0,1,0,0|2,0,0]=4 24540 B12R1.255 CC(=O)NCCOC1CCCC1 11a_100000741755_100015343762 [0,1,0,1,0,0|2,0,0]=4 24541 B12R1.255 CC(=O)NCCOC1CCCC1 1626a_100000741755_100015343762 [0,1,0,1,0,0|2,0,0]=4 24542 B12R1.255 CC(=O)NCCOC1CCCC1 240690a_100000741755_100015343762 [0,1,0,1,0,0|2,0,0]=4 24543 B12R1.255 CC(=O)NCCOC1CCCC1 34a_100000158858_100000179811 [0,1,0,1,0,0|2,0,0]=4 24544 B12R1.255 CC(=O)NCCOC1CCCC1 527a_100000741755_100103153847 [0,1,0,1,0,0|2,0,0]=4 24545 B12R1.255 CC(=O)NCCOC1CCCC1 7a_100000210269_100000189650 [0,1,0,1,0,0|2,0,0]=4 24546 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100000189650_100000179811 [0,1,0,1,0,0|2,0,0]=4 24547 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100011217020_100000189650 [0,1,0,1,0,0|2,0,0]=4 24548 B12R1.255 CC(=O)OCCCN1CCCC1 269982a_100000188435_100000042594 [0,1,0,1,0,0|2,0,0]=4 24549 B12R1.255 CC(=O)OCCNC1CCCC1 34a_100000211070_100009814007 [0,1,0,1,0,0|2,0,0]=4 24550 B12R1.255 CC(=O)OCCOC1CCCC1 34a_100000210269_100009814007 [0,1,0,1,0,0|2,0,0]=4 24551 B12R1.255 CC(=O)OCCOC1CCCC1 7a_100000210269_100009814007 [0,1,0,1,0,0|2,0,0]=4 24552 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100009814007_100000179811 [0,1,0,1,0,0|2,0,0]=4 24553 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100011217020_100009814007 [0,1,0,1,0,0|2,0,0]=4 24554 B12R1.255 CC(=O)OCNCC1CCCC1 34a_100000737975_100009813279 [0,1,0,1,0,0|2,0,0]=4 24555 B12R1.255 CC(=O)OCOCC1CCCC1 34a_100000742336_100009813279 [0,1,0,1,0,0|2,0,0]=4 24556 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000076356_100000740388 [0,1,0,1,0,0|2,0,0]=4 24557 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000740388_100000076356 [0,1,0,1,0,0|2,0,0]=4 24558 B12R1.255 CC(=O)SCCCN1CCCC1 2230a_100000188435_100000038929 [0,1,0,1,0,0|2,0,0]=4 24559 B12R1.255 CC(=O)SCCCN1CCCC1 269982a_100000188435_100000038929 [0,1,0,1,0,0|2,0,0]=4 24560 B12R1.255 CS(=O)CCCNC1CCCC1 2230a_200000753449_100000179811 [0,1,0,1,0,0|2,0,0]=4 24561 B12R1.255 CS(=O)CCCNC1CCCC1 270004a_200000753449_100000210133 [0,1,0,1,0,0|2,0,0]=4 24562 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000211070_100102525003 [0,1,0,1,0,0|1,0,0]=3 24563 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000739312_100000179811 [0,1,0,1,0,0|1,0,0]=3 24564 B12R1.255 NC(=O)CCCNC1CCOC1 34a_100000739312_100000690089 [0,1,0,1,0,0|2,0,0]=4 24565 B12R1.255 NC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100102525003 [0,1,0,1,0,0|2,0,0]=4 24566 B12R1.255 NC(=O)CCCOC1CCCC1 34a_100000210269_100102525003 [0,1,0,1,0,0|1,0,0]=3 24567 B12R1.255 NC(=O)CCCOC1CCCC1 7a_100000210269_100102525003 [0,1,0,1,0,0|1,0,0]=3 24568 B12R1.255 NC(=O)CCCOC1CCCO1 34a_100000085407_100102525003 [0,1,0,1,0,0|2,0,0]=4 24569 B12R1.255 NC(=O)CCCOC1CCSC1 7a_100011232664_100102525003 [0,1,0,1,0,0|2,0,0]=4 24570 B12R1.255 NC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100102525003 [0,1,0,1,0,0|2,0,0]=4 24571 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100011217020_100102525003 [0,1,0,1,0,0|1,0,0]=3 24572 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100102525003_100000179811 [0,1,0,1,0,0|1,0,0]=3 24573 B12R1.255 NC(=O)CCCSC1CCOC1 62a_100102525003_100000690089 [0,1,0,1,0,0|2,0,0]=4 24574 B12R1.255 NC(=O)CCNCC1CCCC1 2230a_100000737975_100000744528 [0,1,0,1,0,0|1,0,0]=3 24575 B12R1.255 NC(=O)CCNCC1CCCC1 269862a_100000740010_100000746403 [0,1,0,1,0,0|1,0,0]=3 24576 B12R1.255 NC(=O)CCNCC1CCCC1 34a_100000737975_100000731001 [0,1,0,1,0,0|1,0,0]=3 24577 B12R1.255 NC(=O)CCNCC1CCOC1 2230a_100000737293_100000744528 [0,1,0,1,0,0|2,0,0]=4 24578 B12R1.255 NC(=O)CCNCC1CCOC1 34a_100000737293_100000731001 [0,1,0,1,0,0|2,0,0]=4 24579 B12R1.255 NC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000744528 [0,1,0,1,0,0|2,0,0]=4 24580 B12R1.255 NC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100000731001 [0,1,0,1,0,0|2,0,0]=4 24581 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000742336_100000731001 [0,1,0,1,0,0|1,0,0]=3 24582 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000757172_100000740388 [0,1,0,1,0,0|1,0,0]=3 24583 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000742336_100000744528 [0,1,0,1,0,0|1,0,0]=3 24584 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000757172_100000740388 [0,1,0,1,0,0|1,0,0]=3 24585 B12R1.255 NC(=O)CCOCC1CCCO1 34a_100000210270_100000731001 [0,1,0,1,0,0|2,0,0]=4 24586 B12R1.255 NC(=O)CCOCC1CCCO1 7a_100000210270_100000744528 [0,1,0,1,0,0|2,0,0]=4 24587 B12R1.255 NC(=O)CCOCC1CCCO1 7a_100000757172_100000203698 [0,1,0,1,0,0|2,0,0]=4 24588 B12R1.255 NC(=O)CCOCC1CCNC1 34a_100000748654_100000731001 [0,1,0,1,0,0|2,0,0]=4 24589 B12R1.255 NC(=O)CCOCC1CCOC1 34a_100000740260_100000731001 [0,1,0,1,0,0|2,0,0]=4 24590 B12R1.255 NC(=O)CCOCC1CCOC1 34a_100000757172_100011261433 [0,1,0,1,0,0|2,0,0]=4 24591 B12R1.255 NC(=O)CCOCC1CCOC1 7a_100000757172_100000702531 [0,1,0,1,0,0|2,0,0]=4 24592 B12R1.255 NC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100000731001 [0,1,0,1,0,0|2,0,0]=4 24593 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000740388_100000744528 [0,1,0,1,0,0|1,0,0]=3 24594 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000744528_100000740388 [0,1,0,1,0,0|1,0,0]=3 24595 B12R1.255 NC(=O)CCSCC1CCCO1 62a_100000203698_100000744528 [0,1,0,1,0,0|2,0,0]=4 24596 B12R1.255 NC(=O)CCSCC1CCCO1 62a_100000744528_100000203698 [0,1,0,1,0,0|2,0,0]=4 24597 B12R1.255 NC(=O)CCSCC1CCOC1 62a_100000702531_100000744528 [0,1,0,1,0,0|2,0,0]=4 24598 B12R1.255 NC(=O)CCSCC1CCOC1 62a_100000744528_100000702531 [0,1,0,1,0,0|2,0,0]=4 24599 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000711301_100000760354 [0,1,0,1,0,0|1,0,0]=3 24600 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000739158_100000747473 [0,1,0,1,0,0|1,0,0]=3 24601 B12R1.255 NC(=O)CNCCC1CCCC1 34a_100000739158_100000187820 [0,1,0,1,0,0|1,0,0]=3 24602 B12R1.255 NC(=O)COCCC1CCCC1 34a_100000749090_100000187820 [0,1,0,1,0,0|1,0,0]=3 24603 B12R1.255 NC(=O)COCCC1CCCC1 7a_100000749090_100000187820 [0,1,0,1,0,0|1,0,0]=3 24604 B12R1.255 NC(=O)COCCC1CCNC1 34a_100016987287_100000187820 [0,1,0,1,0,0|2,0,0]=4 24605 B12R1.255 NC(=O)COCCC1CCOC1 34a_100011879284_100000187820 [0,1,0,1,0,0|2,0,0]=4 24606 B12R1.255 NC(=O)COCCN1CCCC1 2230a_100000188435_100000076697 [0,1,0,1,0,0|2,0,0]=4 24607 B12R1.255 NC(=O)COCCN1CCCC1 269982a_100000188435_100000076697 [0,1,0,1,0,0|2,0,0]=4 24608 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000747473_100000760354 [0,1,0,1,0,0|1,0,0]=3 24609 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000760354_100000747473 [0,1,0,1,0,0|1,0,0]=3 24610 B12R1.255 NC(=O)CSCCN1CCCC1 62a_100000700749_100000747473 [0,1,0,1,0,0|2,0,0]=4 24611 B12R1.255 NC(=O)CSCCN1CCCC1 62a_100000747473_100000004467 [0,1,0,1,0,0|2,0,0]=4 24612 B12R1.255 NC(=O)NCCNC1CCCC1 2230a_100000211070_200000034859 [0,1,0,1,0,0|2,0,0]=4 24613 B12R1.255 NC(=O)NCCNC1CCCC1 34a_100020590234_100000179811 [0,1,0,1,0,0|2,0,0]=4 24614 B12R1.255 NC(=O)NCCOC1CCCC1 34a_100000181757_100000179811 [0,1,0,1,0,0|2,0,0]=4 24615 B12R1.255 NC(=O)NCCOC1CCCC1 7a_100000210269_200000034859 [0,1,0,1,0,0|2,0,0]=4 24616 B12R1.255 NC(=O)NCCSC1CCCC1 62a_100011217020_200000034859 [0,1,0,1,0,0|2,0,0]=4 24617 B12R1.255 NC(=O)NCCSC1CCCC1 62a_200000034859_100000179811 [0,1,0,1,0,0|2,0,0]=4 24618 B12R1.255 NC(=O)OCCNC1CCCC1 34a_100000211070_200011214921 [0,1,0,1,0,0|2,0,0]=4 24619 B12R1.255 NC(=O)OCCOC1CCCC1 34a_100000210269_200011214921 [0,1,0,1,0,0|2,0,0]=4 24620 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000210269_200011214921 [0,1,0,1,0,0|2,0,0]=4 24621 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000766696_100000179811 [0,1,0,1,0,0|2,0,0]=4 24622 B12R1.255 NC(=O)OCCSC1CCCC1 62a_100011217020_200011214921 [0,1,0,1,0,0|2,0,0]=4 24623 B12R1.255 NC(=O)OCCSC1CCCC1 62a_200011214921_100000179811 [0,1,0,1,0,0|2,0,0]=4 24624 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [0,1,0,1,0,0|1,0,0]=3 24625 B12R1.255 O=C(O)CNCCN1CCCC1 269956a_100016091260_100000004467 [0,1,0,1,0,0|2,0,0]=4 24626 B12R1.255 O=C(O)CONCC1CCCC1 269956a_100000106656_100000740388 [0,1,0,1,0,0|2,0,0]=4 24627 B12R1.255 O=C([O-])CNCCC1CCCC1 34a_100000739158_100020667443 [0,1,0,1,0,0|1,0,0]=3 24628 B12R1.255 O=C([O-])COCCC1CCCC1 34a_100000749090_100020667443 [0,1,0,1,0,0|1,0,0]=3 24629 B12R1.255 O=C([O-])COCCC1CCNC1 34a_100016987287_100020667443 [0,1,0,1,0,0|2,0,0]=4 24630 B12R1.255 O=C([O-])COCCC1CCOC1 34a_100011879284_100020667443 [0,1,0,1,0,0|2,0,0]=4 24631 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100000760354_100020667443 [0,1,0,1,0,0|1,0,0]=3 24632 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100020667443_100000760354 [0,1,0,1,0,0|1,0,0]=3 24633 B12R1.255 O=C([O-])CSCCN1CCCC1 62a_100000700749_100020667443 [0,1,0,1,0,0|2,0,0]=4 24634 B12R1.255 O=C([O-])CSCCN1CCCC1 62a_100020667443_100000004467 [0,1,0,1,0,0|2,0,0]=4 24635 B12R1.255 O=[N+]([O-])CCCOC1CCCC1 34a_200000037920_100000179811 [0,1,0,1,0,0|2,0,0]=4 24636 B12R1.255 O=[N+]([O-])CNCCC1CCCC1 34a_100000739158_100000761209 [0,1,0,1,0,0|2,0,0]=4 24637 B12R1.255 O=[N+]([O-])COCCC1CCCC1 34a_100000749090_100000761209 [0,1,0,1,0,0|2,0,0]=4 24638 B12R1.255 O=[N+]([O-])CSCCC1CCCC1 62a_100000760354_100000761209 [0,1,0,1,0,0|2,0,0]=4 24639 B12R1.255 [13CH3]C(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200025704644 [0,1,0,1,0,0|2,0,0]=4 24640 B12R1.255 [13CH3]C(=O)CSCCN1CCCC1 1458a_200015187850_200025704644 [0,1,0,1,0,0|2,0,0]=4 24641 B12R1.257 CC(=O)CCCCNC1CCC1 34a_100000749019_100009817362 [0,1,0,1,0,0|1,0,0]=3 24642 B12R1.257 CC(=O)CCCCOC1CCC1 34a_100000748187_100009817362 [0,1,0,1,0,0|1,0,0]=3 24643 B12R1.257 CC(=O)CCCCOC1CSC1 7a_100000072292_100000735457 [0,1,0,1,0,0|2,0,0]=4 24644 B12R1.257 CC(=O)CCCCSC1CCC1 62a_100000735457_100000749161 [0,1,0,1,0,0|1,0,0]=3 24645 B12R1.257 CC(=O)CCCCSC1COC1 62a_100000735457_100009818527 [0,1,0,1,0,0|2,0,0]=4 24646 B12R1.257 CC(=O)CCCNCC1CCC1 34a_100000738700_100000685027 [0,1,0,1,0,0|1,0,0]=3 24647 B12R1.257 CC(=O)CCCNCC1COC1 34a_100015281925_100000685027 [0,1,0,1,0,0|2,0,0]=4 24648 B12R1.257 CC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000685027 [0,1,0,1,0,0|2,0,0]=4 24649 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000759063_100000763275 [0,1,0,1,0,0|1,0,0]=3 24650 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000760304_100000685027 [0,1,0,1,0,0|1,0,0]=3 24651 B12R1.257 CC(=O)CCCOCC1CCC1 7a_100000759063_100000763275 [0,1,0,1,0,0|1,0,0]=3 24652 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000039022_100000685027 [0,1,0,1,0,0|2,0,0]=4 24653 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000759063_100000103362 [0,1,0,1,0,0|2,0,0]=4 24654 B12R1.257 CC(=O)CCCOCC1CCO1 7a_100000759063_100000103362 [0,1,0,1,0,0|2,0,0]=4 24655 B12R1.257 CC(=O)CCCOCC1CNC1 34a_100016987283_100000685027 [0,1,0,1,0,0|2,0,0]=4 24656 B12R1.257 CC(=O)CCCOCC1COC1 34a_100000060846_100000685027 [0,1,0,1,0,0|2,0,0]=4 24657 B12R1.257 CC(=O)CCCOCC1COC1 34a_100000759063_100010264016 [0,1,0,1,0,0|2,0,0]=4 24658 B12R1.257 CC(=O)CCCOCC1COC1 7a_100000759063_100010264016 [0,1,0,1,0,0|2,0,0]=4 24659 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100000763275_100011215641 [0,1,0,1,0,0|1,0,0]=3 24660 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100011215641_100000763275 [0,1,0,1,0,0|1,0,0]=3 24661 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100000103362_100011215641 [0,1,0,1,0,0|2,0,0]=4 24662 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100011215641_100000103362 [0,1,0,1,0,0|2,0,0]=4 24663 B12R1.257 CC(=O)CCCSCC1COC1 62a_100010264016_100011215641 [0,1,0,1,0,0|2,0,0]=4 24664 B12R1.257 CC(=O)CCCSCC1COC1 62a_100011215641_100010264016 [0,1,0,1,0,0|2,0,0]=4 24665 B12R1.257 CC(=O)NCCCNC1CCC1 270004a_100000736810_100000241760 [0,1,0,1,0,0|2,0,0]=4 24666 B12R1.257 CC(=O)NCCCNC1CCC1 34a_100000736810_100000749161 [0,1,0,1,0,0|2,0,0]=4 24667 B12R1.257 CC(=O)NCCCOC1CCC1 34a_100000752032_100000749161 [0,1,0,1,0,0|2,0,0]=4 24668 B12R1.257 CC(=O)NCCNCC1CCC1 2230a_100000209853_100000763275 [0,1,0,1,0,0|2,0,0]=4 24669 B12R1.257 CC(=O)NCCNCC1CCC1 2230a_100000738700_100000189650 [0,1,0,1,0,0|2,0,0]=4 24670 B12R1.257 CC(=O)NCCNCC1CCC1 269862a_100000209853_100000753134 [0,1,0,1,0,0|2,0,0]=4 24671 B12R1.257 CC(=O)NCCOCC1CCC1 34a_100000158858_100000763275 [0,1,0,1,0,0|2,0,0]=4 24672 B12R1.257 CC(=O)NCCSCC1CCC1 62a_100000189650_100000763275 [0,1,0,1,0,0|2,0,0]=4 24673 B12R1.257 CC(=O)NCCSCC1CCC1 62a_100000763275_100000189650 [0,1,0,1,0,0|2,0,0]=4 24674 B12R1.257 CC(=O)OCCCCN1CCC1 269982a_100000754969_100000033659 [0,1,0,1,0,0|2,0,0]=4 24675 B12R1.257 CC(=O)OCCCNC1CCC1 34a_100000749019_100000042594 [0,1,0,1,0,0|2,0,0]=4 24676 B12R1.257 CC(=O)OCCCOC1CCC1 34a_100000748187_100000042594 [0,1,0,1,0,0|2,0,0]=4 24677 B12R1.257 CC(=O)OCCCSC1CCC1 62a_100000042594_100000749161 [0,1,0,1,0,0|2,0,0]=4 24678 B12R1.257 CC(=O)OCCNCC1CCC1 34a_100000738700_100009814007 [0,1,0,1,0,0|2,0,0]=4 24679 B12R1.257 CC(=O)OCCOCC1CCC1 34a_100000760304_100009814007 [0,1,0,1,0,0|2,0,0]=4 24680 B12R1.257 CC(=O)OCCSCC1CCC1 62a_100000763275_100009814007 [0,1,0,1,0,0|2,0,0]=4 24681 B12R1.257 CC(=O)OCCSCC1CCC1 62a_100009814007_100000763275 [0,1,0,1,0,0|2,0,0]=4 24682 B12R1.257 CC(=O)SCCCCN1CCC1 269982a_100000754969_200010402107 [0,1,0,1,0,0|2,0,0]=4 24683 B12R1.257 CC(=O)SCCCNC1CCC1 2230a_100000749019_100000038929 [0,1,0,1,0,0|2,0,0]=4 24684 B12R1.257 CC(=O)SCCCNC1CCC1 34a_100000749019_100000038929 [0,1,0,1,0,0|2,0,0]=4 24685 B12R1.257 CC(=O)SCCCOC1CCC1 34a_100000748187_100000038929 [0,1,0,1,0,0|2,0,0]=4 24686 B12R1.257 CC(=O)SCCCSC1CCC1 62a_100000038929_100000749161 [0,1,0,1,0,0|2,0,0]=4 24687 B12R1.257 CC(=O)SCCNCC1CCC1 269862a_100020647217_100000753134 [0,1,0,1,0,0|2,0,0]=4 24688 B12R1.257 CS(=O)CCCNCC1CCC1 2230a_200000753449_100000763275 [0,1,0,1,0,0|2,0,0]=4 24689 B12R1.257 NC(=O)CCCCCN1CCC1 269982a_100000754969_100009817443 [0,1,0,1,0,0|1,0,0]=3 24690 B12R1.257 NC(=O)CCCCNC1CCC1 270004a_100000696515_100000241760 [0,1,0,1,0,0|1,0,0]=3 24691 B12R1.257 NC(=O)CCCCNC1CCC1 34a_100000696515_100000749161 [0,1,0,1,0,0|1,0,0]=3 24692 B12R1.257 NC(=O)CCCCNC1COC1 34a_100000696515_100009818527 [0,1,0,1,0,0|2,0,0]=4 24693 B12R1.257 NC(=O)CCCCOC1CCC1 34a_100012022536_100000749161 [0,1,0,1,0,0|1,0,0]=3 24694 B12R1.257 NC(=O)CCCCOC1COC1 34a_100012022536_100009818527 [0,1,0,1,0,0|2,0,0]=4 24695 B12R1.257 NC(=O)CCCCOC1COC1 7a_100012022536_100009818527 [0,1,0,1,0,0|2,0,0]=4 24696 B12R1.257 NC(=O)CCCNCC1CCC1 269862a_100000739312_100000753134 [0,1,0,1,0,0|1,0,0]=3 24697 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000738700_100102525003 [0,1,0,1,0,0|1,0,0]=3 24698 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000739312_100000763275 [0,1,0,1,0,0|1,0,0]=3 24699 B12R1.257 NC(=O)CCCNCC1CCO1 34a_100000739312_100000103362 [0,1,0,1,0,0|2,0,0]=4 24700 B12R1.257 NC(=O)CCCNCC1COC1 34a_100000739312_100010264016 [0,1,0,1,0,0|2,0,0]=4 24701 B12R1.257 NC(=O)CCCNCC1COC1 34a_100015281925_100102525003 [0,1,0,1,0,0|2,0,0]=4 24702 B12R1.257 NC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100102525003 [0,1,0,1,0,0|2,0,0]=4 24703 B12R1.257 NC(=O)CCCOCC1CCC1 34a_100000760304_100102525003 [0,1,0,1,0,0|1,0,0]=3 24704 B12R1.257 NC(=O)CCCOCC1CCO1 34a_100000039022_100102525003 [0,1,0,1,0,0|2,0,0]=4 24705 B12R1.257 NC(=O)CCCOCC1CNC1 34a_100016987283_100102525003 [0,1,0,1,0,0|2,0,0]=4 24706 B12R1.257 NC(=O)CCCOCC1COC1 34a_100000060846_100102525003 [0,1,0,1,0,0|2,0,0]=4 24707 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100000763275_100102525003 [0,1,0,1,0,0|1,0,0]=3 24708 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100102525003_100000763275 [0,1,0,1,0,0|1,0,0]=3 24709 B12R1.257 NC(=O)CCCSCC1CCO1 62a_100000103362_100102525003 [0,1,0,1,0,0|2,0,0]=4 24710 B12R1.257 NC(=O)CCCSCC1CCO1 62a_100102525003_100000103362 [0,1,0,1,0,0|2,0,0]=4 24711 B12R1.257 NC(=O)CCCSCC1COC1 62a_100010264016_100102525003 [0,1,0,1,0,0|2,0,0]=4 24712 B12R1.257 NC(=O)CCCSCC1COC1 62a_100102525003_100010264016 [0,1,0,1,0,0|2,0,0]=4 24713 B12R1.257 NC(=O)CCOCCC1COC1 34a_100009855314_100000731001 [0,1,0,1,0,0|2,0,0]=4 24714 B12R1.257 NC(=O)COCCNC1CCC1 2230a_100000749019_100000076697 [0,1,0,1,0,0|2,0,0]=4 24715 B12R1.257 NC(=O)COCCNC1CCC1 34a_100000749019_100000076697 [0,1,0,1,0,0|2,0,0]=4 24716 B12R1.257 NC(=O)COCCOC1CCC1 34a_100000748187_100000076697 [0,1,0,1,0,0|2,0,0]=4 24717 B12R1.257 NC(=O)COCCSC1CCC1 62a_100000076697_100000749161 [0,1,0,1,0,0|2,0,0]=4 24718 B12R1.257 NC(=O)NCCNCC1CCC1 2230a_100000738700_200000034859 [0,1,0,1,0,0|2,0,0]=4 24719 B12R1.257 NC(=O)NCCNCC1CCC1 269862a_100020590234_100000753134 [0,1,0,1,0,0|2,0,0]=4 24720 B12R1.257 NC(=O)NCCNCC1CCC1 34a_100020590234_100000763275 [0,1,0,1,0,0|2,0,0]=4 24721 B12R1.257 NC(=O)NCCOCC1CCC1 34a_100000181757_100000763275 [0,1,0,1,0,0|2,0,0]=4 24722 B12R1.257 NC(=O)NCCSCC1CCC1 62a_100000763275_200000034859 [0,1,0,1,0,0|2,0,0]=4 24723 B12R1.257 NC(=O)NCCSCC1CCC1 62a_200000034859_100000763275 [0,1,0,1,0,0|2,0,0]=4 24724 B12R1.257 NC(=O)OCCNCC1CCC1 34a_100000738700_200011214921 [0,1,0,1,0,0|2,0,0]=4 24725 B12R1.257 NC(=O)OCCOCC1CCC1 34a_100000760304_200011214921 [0,1,0,1,0,0|2,0,0]=4 24726 B12R1.257 NC(=O)OCCOCC1CCC1 7a_100000766696_100000763275 [0,1,0,1,0,0|2,0,0]=4 24727 B12R1.257 NC(=O)OCCSCC1CCC1 62a_100000763275_200011214921 [0,1,0,1,0,0|2,0,0]=4 24728 B12R1.257 NC(=O)OCCSCC1CCC1 62a_200011214921_100000763275 [0,1,0,1,0,0|2,0,0]=4 24729 B12R1.257 O=C(O)COCCNC1CCC1 269956a_100000700818_100000749161 [0,1,0,1,0,0|2,0,0]=4 24730 B12R1.257 O=[N+]([O-])CCCCOC1CCC1 34a_200015379883_100000749161 [0,1,0,1,0,0|2,0,0]=4 24731 B12R1.257 O=[N+]([O-])CCCOCC1CCC1 34a_200000037920_100000763275 [0,1,0,1,0,0|2,0,0]=4 24732 B12R1.283 C=CCC1CCCCC1N(C)C 270004a_100102631434_100011214939 [0,1,0,1,0,0|2,0,0]=4 24733 B12R1.283 C=CCN1CCCCC1C(C)C 2230a_100000757267_100000210623 [0,1,0,1,0,0|2,0,0]=4 24734 B12R1.283 C=CCN1CCCCC1C(C)C 269982a_100000757267_100000210623 [0,1,0,1,0,0|2,0,0]=4 24735 B12R1.283 C=CCN1CCCCC1C(C)C 34a_100000757267_100015514636 [0,1,0,1,0,0|2,0,0]=4 24736 B12R1.283 CC(=O)N1CCCCC1CCO 240690a_100000211664_100015343762 [0,1,0,1,0,0|2,0,0]=4 24737 B12R1.283 CC(C)C1CCCCN1CC=O 2230a_100000757267_200015260668 [0,1,0,1,0,0|1,0,0]=3 24738 B12R1.283 CC(C)C1CCCCN1CC=O 269982a_100000757267_200015260668 [0,1,0,1,0,0|1,0,0]=3 24739 B12R1.283 CC(C)C1CCCCN1CC=O 34a_100000757267_200009817547 [0,1,0,1,0,0|1,0,0]=3 24740 B12R1.283 CC(C)[C@H]1COCCN1CC=O 2230a_100025712635_200015260668 [0,1,0,1,0,0|2,0,0]=4 24741 B12R1.283 CC(C)[C@H]1COCCN1CC=O 269982a_100025712635_200015260668 [0,1,0,1,0,0|2,0,0]=4 24742 B12R1.283 CC(C)[C@H]1COCCN1CC=O 34a_100025712635_200009817547 [0,1,0,1,0,0|2,0,0]=4 24743 B12R1.283 CCCC1CCCCC1N(C)C 270004a_100102631434_100011218038 [0,1,0,1,0,0|2,0,0]=4 24744 B12R1.283 CCCC1CCCCN1C(=O)C 11a_100000701414_100015343762 [0,1,0,1,0,0|1,0,0]=3 24745 B12R1.283 CCCC1CCCCN1C(=O)C 1626a_100000701414_100015343762 [0,1,0,1,0,0|1,0,0]=3 24746 B12R1.283 CCCC1CCCCN1C(=O)C 240690a_100000701414_100015343762 [0,1,0,1,0,0|1,0,0]=3 24747 B12R1.283 CCCC1CCCCN1C(=O)C 527a_100000701414_100103153847 [0,1,0,1,0,0|1,0,0]=3 24748 B12R1.283 CCCC1COCCN1C(=O)C 11a_102495339903_100015343762 [0,1,0,1,0,0|2,0,0]=4 24749 B12R1.283 CCCC1COCCN1C(=O)C 1626a_102495339903_100015343762 [0,1,0,1,0,0|2,0,0]=4 24750 B12R1.283 CCCC1COCCN1C(=O)C 240690a_102495339903_100015343762 [0,1,0,1,0,0|2,0,0]=4 24751 B12R1.283 CCCC1COCCN1C(=O)C 527a_102495339903_100103153847 [0,1,0,1,0,0|2,0,0]=4 24752 B12R1.283 CCCN1CCCCC1C(=O)C 1458a_100000743559_200000210301 [0,1,0,1,0,0|1,0,0]=3 24753 B12R1.283 CCCN1CCCCC1C(=O)N 2230a_100000181395_100000210303 [0,1,0,1,0,0|1,0,0]=3 24754 B12R1.283 CCCN1CCCCC1C(=O)N 269982a_100000181395_100000210303 [0,1,0,1,0,0|1,0,0]=3 24755 B12R1.283 CCCN1CCCCC1C(=O)N 34a_100000181395_100000210303 [0,1,0,1,0,0|1,0,0]=3 24756 B12R1.283 CCCN1CCCCC1C(=O)[13CH3] 1458a_100000743559_200025704644 [0,1,0,1,0,0|1,0,0]=3 24757 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,1,0,1,0,0|1,0,0]=3 24758 B12R1.283 CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210207 [0,1,0,1,0,0|2,0,0]=4 24759 B12R1.283 CCCN1CCSCC1C(=O)O 269956a_100011346106_100000210207 [0,1,0,1,0,0|2,0,0]=4 24760 B12R1.283 CCCN1CSCCC1C(=O)O 269956a_100015185162_100000210207 [0,1,0,1,0,0|2,0,0]=4 24761 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [0,1,0,1,0,0|1,0,0]=3 24762 B12R1.283 COCC1CCCCN1C(=O)C 11a_100015184032_100015343762 [0,1,0,1,0,0|2,0,0]=4 24763 B12R1.283 COCC1CCCCN1C(=O)C 1626a_100015184032_100015343762 [0,1,0,1,0,0|2,0,0]=4 24764 B12R1.283 COCC1CCCCN1C(=O)C 240690a_100015184032_100015343762 [0,1,0,1,0,0|2,0,0]=4 24765 B12R1.283 COCC1CCCCN1C(=O)C 527a_100015184032_100103153847 [0,1,0,1,0,0|2,0,0]=4 24766 B12R1.283 COCN1CCCCC1C(=O)N 2230a_100000181395_100000766300 [0,1,0,1,0,0|2,0,0]=4 24767 B12R1.283 COCN1CCCCC1C(=O)N 269982a_100000181395_100000766300 [0,1,0,1,0,0|2,0,0]=4 24768 B12R1.283 COCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000766300 [0,1,0,1,0,0|2,0,0]=4 24769 B12R1.283 CSCN1CCCCC1C(=O)N 2230a_100000181395_100011218213 [0,1,0,1,0,0|2,0,0]=4 24770 B12R1.283 CSCN1CCCCC1C(=O)N 269982a_100000181395_100011218213 [0,1,0,1,0,0|2,0,0]=4 24771 B12R1.283 CSCN1CCCCC1C(=O)N 34a_100000181395_100011218213 [0,1,0,1,0,0|2,0,0]=4 24772 B12R1.283 CSCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011218213 [0,1,0,1,0,0|2,0,0]=4 24773 B12R1.283 NC(=O)C1CCCCN1CCF 2230a_100000181395_100011217306 [0,1,0,1,0,0|2,0,0]=4 24774 B12R1.283 NC(=O)C1CCCCN1CCF 269982a_100000181395_100011217306 [0,1,0,1,0,0|2,0,0]=4 24775 B12R1.283 NC(=O)C1CCCCN1CCF 34a_100000181395_100011217306 [0,1,0,1,0,0|2,0,0]=4 24776 B12R1.283 NC(=O)C1CCCCN1CCO 2230a_100000181395_100000211926 [0,1,0,1,0,0|2,0,0]=4 24777 B12R1.283 NC(=O)C1CCCCN1CCO 269982a_100000181395_100000211926 [0,1,0,1,0,0|2,0,0]=4 24778 B12R1.283 NC(=O)C1CCCCN1CCO 34a_100000181395_100000211926 [0,1,0,1,0,0|2,0,0]=4 24779 B12R1.283 O=C(O)[C@@H]1CCCC[C@H]1NCF 269956a_100009816435_100015361967 [0,1,0,1,0,0|2,0,0]=4 24780 B12R1.283 O=C(O)[C@H]1CCCCN1CCF 269956a_100000763471_100011217306 [0,1,0,1,0,0|2,0,0]=4 24781 B12R1.283 O=C(O)[C@H]1CCCCN1CCO 269956a_100000763471_100000211926 [0,1,0,1,0,0|2,0,0]=4 24782 B12R1.289 C=CCN1CCCC1CC(C)C 2230a_100000748429_100000210623 [0,1,0,1,0,0|2,0,0]=4 24783 B12R1.289 C=CCN1CCCC1CC(C)C 269982a_100000748429_100000210623 [0,1,0,1,0,0|2,0,0]=4 24784 B12R1.289 C=CCN1CCCC1CC(C)C 34a_100000748429_100015514636 [0,1,0,1,0,0|2,0,0]=4 24785 B12R1.289 CC(C)CC1CCCN1CC=O 2230a_100000748429_200015260668 [0,1,0,1,0,0|1,0,0]=3 24786 B12R1.289 CC(C)CC1CCCN1CC=O 269982a_100000748429_200015260668 [0,1,0,1,0,0|1,0,0]=3 24787 B12R1.289 CC(C)CC1CCCN1CC=O 34a_100000748429_200009817547 [0,1,0,1,0,0|1,0,0]=3 24788 B12R1.289 CN(C)C[C@H]1CCCN1CC=O 269982a_200020645772_200015260668 [0,1,0,1,0,0|2,0,0]=4 24789 B12R1.289 COC[C@@H]1CCCN1CC(=O)N 2230a_100020646714_100000747473 [0,1,0,1,0,0|2,0,0]=4 24790 B12R1.289 COC[C@@H]1CCCN1CC(=O)N 269982a_100020646714_100000187820 [0,1,0,1,0,0|2,0,0]=4 24791 B12R1.289 COC[C@@H]1CCCN1CC(=O)N 34a_100020646714_100000187820 [0,1,0,1,0,0|2,0,0]=4 24792 B12R1.289 COC[C@@H]1CCCN1CC(=O)[O-] 269982a_100020646714_100020667443 [0,1,0,1,0,0|2,0,0]=4 24793 B12R1.289 COC[C@@H]1CCCN1CC(=O)[O-] 34a_100020646714_100020667443 [0,1,0,1,0,0|2,0,0]=4 24794 B12R1.384 CC1(CNCCC1OCC=O)C 34a_100000709803_200009817547 [0,1,0,1,0,0|2,0,0]=4 24795 B12R1.384 O=CCNC1CCCCC1(F)F 2230a_100000686509_200015260668 [0,1,0,1,0,0|2,0,0]=4 24796 B12R1.384 O=CCNC1CCCCC1(F)F 34a_100000686509_200009817547 [0,1,0,1,0,0|2,0,0]=4 24797 B12R1.384 O=CCSC1CCCCC1(F)F 62a_200009832135_200015260668 [0,1,0,1,0,0|2,0,0]=4 24798 B12R1.384 O=CCSC1CCCCC1(F)F 62a_200015260668_200009832135 [0,1,0,1,0,0|2,0,0]=4 24799 B12R1.386 C=CCCN1CCCC1C(C)C 2230a_100000762757_100000754431 [0,1,0,1,0,0|2,0,0]=4 24800 B12R1.386 C=CCCN1CCCC1C(C)C 269982a_100000762757_100000754431 [0,1,0,1,0,0|2,0,0]=4 24801 B12R1.386 C=CCCN1CCCC1C(C)C 34a_100000762757_100000754431 [0,1,0,1,0,0|2,0,0]=4 24802 B12R1.386 CCCCC1CCCC1N(C)C 270004a_100102631434_100000750825 [0,1,0,1,0,0|2,0,0]=4 24803 B12R1.386 CCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210211 [0,1,0,1,0,0|1,0,0]=3 24804 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [0,1,0,1,0,0|1,0,0]=3 24805 B12R1.386 CCCCN1CCSC1C(=O)O 269956a_100000035718_100000210211 [0,1,0,1,0,0|2,0,0]=4 24806 B12R1.386 CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210211 [0,1,0,1,0,0|2,0,0]=4 24807 B12R1.386 CCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000739092 [0,1,0,1,0,0|2,0,0]=4 24808 B12R1.386 CCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210202 [0,1,0,1,0,0|2,0,0]=4 24809 B12R1.386 CCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210202 [0,1,0,1,0,0|2,0,0]=4 24810 B12R1.386 CCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210202 [0,1,0,1,0,0|2,0,0]=4 24811 B12R1.386 CCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210202 [0,1,0,1,0,0|2,0,0]=4 24812 B12R1.386 COCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011201679 [0,1,0,1,0,0|2,0,0]=4 24813 B12R1.386 COCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000233755 [0,1,0,1,0,0|2,0,0]=4 24814 B12R1.386 CSCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000751147 [0,1,0,1,0,0|2,0,0]=4 24815 B12R1.386 CSCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000212216 [0,1,0,1,0,0|2,0,0]=4 24816 B12R1.386 NC(=O)[C@@H]1CCCN1CCCF 2230a_100000003125_100011934791 [0,1,0,1,0,0|2,0,0]=4 24817 B12R1.386 NC(=O)[C@@H]1CCCN1CCCO 2230a_100000003125_100000230001 [0,1,0,1,0,0|2,0,0]=4 24818 B12R1.386 O=C(O)[C@@H]1CCCN1CCCF 269956a_100000743916_100011934791 [0,1,0,1,0,0|2,0,0]=4 24819 B12R1.386 O=C(O)[C@@H]1CCCN1CCCO 269956a_100000743916_100011215043 [0,1,0,1,0,0|2,0,0]=4 24820 B12R1.390 CC(=O)CCCCNCC1CC1 34a_100000735609_100009817362 [0,1,0,1,0,0|1,0,0]=3 24821 B12R1.390 CC(=O)CCCCOCC1CC1 34a_100000211283_100009817362 [0,1,0,1,0,0|1,0,0]=3 24822 B12R1.390 CC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100009817362 [0,1,0,1,0,0|2,0,0]=4 24823 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000735457_100000742324 [0,1,0,1,0,0|1,0,0]=3 24824 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000756562_100000735457 [0,1,0,1,0,0|1,0,0]=3 24825 B12R1.390 CC(=O)CCCCSCC1CO1 62a_100000735457_102125554688 [0,1,0,1,0,0|2,0,0]=4 24826 B12R1.390 CC(=O)CCCCSCC1CO1 62a_102125554688_100000735457 [0,1,0,1,0,0|2,0,0]=4 24827 B12R1.390 CC(=O)CCCCSCC1CS1 62a_100000031435_100000735457 [0,1,0,1,0,0|2,0,0]=4 24828 B12R1.390 CC(=O)CCCCSCC1CS1 62a_100000735457_100000031435 [0,1,0,1,0,0|2,0,0]=4 24829 B12R1.390 CC(=O)CCCCSC[C@@H]1CO1 62a_100000735457_100000745022 [0,1,0,1,0,0|2,0,0]=4 24830 B12R1.390 CC(=O)CCCCSC[C@@H]1CO1 62a_100000745022_100000735457 [0,1,0,1,0,0|2,0,0]=4 24831 B12R1.390 CC(=O)CCCNCCC1CC1 34a_100000764129_100000685027 [0,1,0,1,0,0|1,0,0]=3 24832 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000754188_100000685027 [0,1,0,1,0,0|1,0,0]=3 24833 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000759063_100000694398 [0,1,0,1,0,0|1,0,0]=3 24834 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000754188_100011215641 [0,1,0,1,0,0|1,0,0]=3 24835 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000759063_100000764125 [0,1,0,1,0,0|1,0,0]=3 24836 B12R1.390 CC(=O)CCCOCCC1CO1 34a_100000759063_100000732470 [0,1,0,1,0,0|2,0,0]=4 24837 B12R1.390 CC(=O)CCCOCCC1CO1 7a_100000759063_100000732470 [0,1,0,1,0,0|2,0,0]=4 24838 B12R1.390 CC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000685027 [0,1,0,1,0,0|2,0,0]=4 24839 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100000764125_100011215641 [0,1,0,1,0,0|1,0,0]=3 24840 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100011215641_100000764125 [0,1,0,1,0,0|1,0,0]=3 24841 B12R1.390 CC(=O)CCCSCCC1CO1 62a_100000732470_100011215641 [0,1,0,1,0,0|2,0,0]=4 24842 B12R1.390 CC(=O)CCCSCCC1CO1 62a_100011215641_100000732470 [0,1,0,1,0,0|2,0,0]=4 24843 B12R1.390 CC(=O)CCOCCCC1CO1 34a_100000759926_100000733510 [0,1,0,1,0,0|2,0,0]=4 24844 B12R1.390 CC(=O)CCOCCCC1CO1 7a_100000759926_100000733510 [0,1,0,1,0,0|2,0,0]=4 24845 B12R1.390 CC(=O)CCSCCCC1CO1 62a_100000053229_100000733510 [0,1,0,1,0,0|2,0,0]=4 24846 B12R1.390 CC(=O)CCSCCCC1CO1 62a_100000733510_100000053229 [0,1,0,1,0,0|2,0,0]=4 24847 B12R1.390 CC(=O)NCCCCNC1CC1 34a_200011368371_100000211595 [0,1,0,1,0,0|2,0,0]=4 24848 B12R1.390 CC(=O)NCCCNCC1CC1 269862a_100000736810_100000741477 [0,1,0,1,0,0|2,0,0]=4 24849 B12R1.390 CC(=O)NCCCNCC1CC1 34a_100000736810_100000742324 [0,1,0,1,0,0|2,0,0]=4 24850 B12R1.390 CC(=O)NCCCOCC1CC1 34a_100000752032_100000742324 [0,1,0,1,0,0|2,0,0]=4 24851 B12R1.390 CC(=O)NCCNCCC1CC1 2230a_100000209853_100000694398 [0,1,0,1,0,0|2,0,0]=4 24852 B12R1.390 CC(=O)NCCOCCC1CC1 34a_100000158858_100000694398 [0,1,0,1,0,0|2,0,0]=4 24853 B12R1.390 CC(=O)NCCOCCC1CC1 7a_100000754188_100000189650 [0,1,0,1,0,0|2,0,0]=4 24854 B12R1.390 CC(=O)NCCSCCC1CC1 62a_100000189650_100000764125 [0,1,0,1,0,0|2,0,0]=4 24855 B12R1.390 CC(=O)NCCSCCC1CC1 62a_100000764125_100000189650 [0,1,0,1,0,0|2,0,0]=4 24856 B12R1.390 CC(=O)OCCCCNC1CC1 34a_100000212008_100000033659 [0,1,0,1,0,0|2,0,0]=4 24857 B12R1.390 CC(=O)OCCCCOC1CC1 34a_100000073216_100000211595 [0,1,0,1,0,0|2,0,0]=4 24858 B12R1.390 CC(=O)OCCCCSC1CC1 62a_100000033659_100000211595 [0,1,0,1,0,0|2,0,0]=4 24859 B12R1.390 CC(=O)OCCCNCC1CC1 34a_100000735609_100000042594 [0,1,0,1,0,0|2,0,0]=4 24860 B12R1.390 CC(=O)OCCCOCC1CC1 34a_100000211283_100000042594 [0,1,0,1,0,0|2,0,0]=4 24861 B12R1.390 CC(=O)OCCCSCC1CC1 62a_100000042594_100000742324 [0,1,0,1,0,0|2,0,0]=4 24862 B12R1.390 CC(=O)OCCCSCC1CC1 62a_100000756562_100000042594 [0,1,0,1,0,0|2,0,0]=4 24863 B12R1.390 CC(=O)OCCNCCC1CC1 34a_100000764129_100009814007 [0,1,0,1,0,0|2,0,0]=4 24864 B12R1.390 CC(=O)OCCOCCC1CC1 34a_100000754188_100009814007 [0,1,0,1,0,0|2,0,0]=4 24865 B12R1.390 CC(=O)OCCOCCC1CC1 7a_100000754188_100009814007 [0,1,0,1,0,0|2,0,0]=4 24866 B12R1.390 CC(=O)OCCSCCC1CC1 62a_100000764125_100009814007 [0,1,0,1,0,0|2,0,0]=4 24867 B12R1.390 CC(=O)OCCSCCC1CC1 62a_100009814007_100000764125 [0,1,0,1,0,0|2,0,0]=4 24868 B12R1.390 CC(=O)SCCCCNC1CC1 34a_100000212008_200010402107 [0,1,0,1,0,0|2,0,0]=4 24869 B12R1.390 CC(=O)SCCCCSC1CC1 62a_200010402107_100000211595 [0,1,0,1,0,0|2,0,0]=4 24870 B12R1.390 CC(=O)SCCCNCC1CC1 2230a_100000735609_100000038929 [0,1,0,1,0,0|2,0,0]=4 24871 B12R1.390 CC(=O)SCCCNCC1CC1 34a_100000735609_100000038929 [0,1,0,1,0,0|2,0,0]=4 24872 B12R1.390 CC(=O)SCCCOCC1CC1 34a_100000211283_100000038929 [0,1,0,1,0,0|2,0,0]=4 24873 B12R1.390 CC(=O)SCCCSCC1CC1 62a_100000038929_100000742324 [0,1,0,1,0,0|2,0,0]=4 24874 B12R1.390 CC(=O)SCCCSCC1CC1 62a_100000756562_100000038929 [0,1,0,1,0,0|2,0,0]=4 24875 B12R1.390 CS(=O)CCCNCCC1CC1 2230a_200000753449_100000694398 [0,1,0,1,0,0|2,0,0]=4 24876 B12R1.390 NC(=O)CCCCCNC1CC1 34a_100000212008_100009817443 [0,1,0,1,0,0|1,0,0]=3 24877 B12R1.390 NC(=O)CCCCCOC1CC1 34a_100000123541_100000211595 [0,1,0,1,0,0|1,0,0]=3 24878 B12R1.390 NC(=O)CCCCCSC1CC1 62a_100009817443_100000211595 [0,1,0,1,0,0|1,0,0]=3 24879 B12R1.390 NC(=O)CCCCNCC1CC1 269862a_100000696515_100000741477 [0,1,0,1,0,0|1,0,0]=3 24880 B12R1.390 NC(=O)CCCCNCC1CC1 34a_100000696515_100000742324 [0,1,0,1,0,0|1,0,0]=3 24881 B12R1.390 NC(=O)CCCCNCC1CO1 34a_100000696515_102125554688 [0,1,0,1,0,0|2,0,0]=4 24882 B12R1.390 NC(=O)CCCCOCC1CC1 34a_100012022536_100000742324 [0,1,0,1,0,0|1,0,0]=3 24883 B12R1.390 NC(=O)CCCCOCC1CC1 7a_100012022536_100000742324 [0,1,0,1,0,0|1,0,0]=3 24884 B12R1.390 NC(=O)CCCCOCC1CO1 34a_100012022536_102125554688 [0,1,0,1,0,0|2,0,0]=4 24885 B12R1.390 NC(=O)CCCCOCC1CO1 7a_100012022536_102125554688 [0,1,0,1,0,0|2,0,0]=4 24886 B12R1.390 NC(=O)CCCCOCC1CS1 7a_100012022536_100000031435 [0,1,0,1,0,0|2,0,0]=4 24887 B12R1.390 NC(=O)CCCCOC[C@@H]1CO1 7a_100012022536_100000745022 [0,1,0,1,0,0|2,0,0]=4 24888 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000739312_100000694398 [0,1,0,1,0,0|1,0,0]=3 24889 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000764129_100102525003 [0,1,0,1,0,0|1,0,0]=3 24890 B12R1.390 NC(=O)CCCNCCC1CO1 34a_100000739312_100000732470 [0,1,0,1,0,0|2,0,0]=4 24891 B12R1.390 NC(=O)CCCOCCC1CC1 34a_100000754188_100102525003 [0,1,0,1,0,0|1,0,0]=3 24892 B12R1.390 NC(=O)CCCOCCC1CC1 7a_100000754188_100102525003 [0,1,0,1,0,0|1,0,0]=3 24893 B12R1.390 NC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100102525003 [0,1,0,1,0,0|2,0,0]=4 24894 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100000764125_100102525003 [0,1,0,1,0,0|1,0,0]=3 24895 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100102525003_100000764125 [0,1,0,1,0,0|1,0,0]=3 24896 B12R1.390 NC(=O)CCCSCCC1CO1 62a_100000732470_100102525003 [0,1,0,1,0,0|2,0,0]=4 24897 B12R1.390 NC(=O)CCCSCCC1CO1 62a_100102525003_100000732470 [0,1,0,1,0,0|2,0,0]=4 24898 B12R1.390 NC(=O)CCOCCCC1CO1 34a_100000757172_100000733510 [0,1,0,1,0,0|2,0,0]=4 24899 B12R1.390 NC(=O)CCOCCCC1CO1 7a_100000757172_100000733510 [0,1,0,1,0,0|2,0,0]=4 24900 B12R1.390 NC(=O)CCOCCNC1CC1 34a_100000738766_100000731001 [0,1,0,1,0,0|2,0,0]=4 24901 B12R1.390 NC(=O)CCSCCCC1CO1 62a_100000733510_100000744528 [0,1,0,1,0,0|2,0,0]=4 24902 B12R1.390 NC(=O)CCSCCCC1CO1 62a_100000744528_100000733510 [0,1,0,1,0,0|2,0,0]=4 24903 B12R1.390 NC(=O)COCCNCC1CC1 2230a_100000735609_100000076697 [0,1,0,1,0,0|2,0,0]=4 24904 B12R1.390 NC(=O)COCCNCC1CC1 34a_100000735609_100000076697 [0,1,0,1,0,0|2,0,0]=4 24905 B12R1.390 NC(=O)COCCOCC1CC1 34a_100000211283_100000076697 [0,1,0,1,0,0|2,0,0]=4 24906 B12R1.390 NC(=O)COCCSCC1CC1 62a_100000076697_100000742324 [0,1,0,1,0,0|2,0,0]=4 24907 B12R1.390 NC(=O)COCCSCC1CC1 62a_100000756562_100000076697 [0,1,0,1,0,0|2,0,0]=4 24908 B12R1.390 NC(=O)NCCNCCC1CC1 34a_100020590234_100000694398 [0,1,0,1,0,0|2,0,0]=4 24909 B12R1.390 NC(=O)NCCOCCC1CC1 34a_100000181757_100000694398 [0,1,0,1,0,0|2,0,0]=4 24910 B12R1.390 NC(=O)NCCOCCC1CC1 7a_100000754188_200000034859 [0,1,0,1,0,0|2,0,0]=4 24911 B12R1.390 NC(=O)NCCSCCC1CC1 62a_100000764125_200000034859 [0,1,0,1,0,0|2,0,0]=4 24912 B12R1.390 NC(=O)NCCSCCC1CC1 62a_200000034859_100000764125 [0,1,0,1,0,0|2,0,0]=4 24913 B12R1.390 NC(=O)OCCNCCC1CC1 34a_100000764129_200011214921 [0,1,0,1,0,0|2,0,0]=4 24914 B12R1.390 NC(=O)OCCOCCC1CC1 34a_100000754188_200011214921 [0,1,0,1,0,0|2,0,0]=4 24915 B12R1.390 NC(=O)OCCOCCC1CC1 7a_100000754188_200011214921 [0,1,0,1,0,0|2,0,0]=4 24916 B12R1.390 NC(=O)OCCOCCC1CC1 7a_100000766696_100000764125 [0,1,0,1,0,0|2,0,0]=4 24917 B12R1.390 NC(=O)OCCSCCC1CC1 62a_100000764125_200011214921 [0,1,0,1,0,0|2,0,0]=4 24918 B12R1.390 NC(=O)OCCSCCC1CC1 62a_200011214921_100000764125 [0,1,0,1,0,0|2,0,0]=4 24919 B12R1.390 O=C(O)COCCNCC1CC1 269956a_100000700818_100000742324 [0,1,0,1,0,0|2,0,0]=4 24920 B12R1.390 O=[N+]([O-])CCCCOCC1CC1 34a_200015379883_100000742324 [0,1,0,1,0,0|2,0,0]=4 24921 B12R1.390 O=[N+]([O-])CCCCOCC1CC1 7a_200015379883_100000742324 [0,1,0,1,0,0|2,0,0]=4 24922 B12R1.390 O=[N+]([O-])CCCOCCC1CC1 34a_200000037920_100000694398 [0,1,0,1,0,0|2,0,0]=4 24923 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [0,1,0,1,0,0|1,0,0]=3 24924 B12R1.405 O=C(O)C1CCCCCN1CF 269956a_100000758484_100015361967 [0,1,0,1,0,0|2,0,0]=4 24925 B12R1.459 C=CCCCN1CCCC1(C)C 2230a_100000761399_100011713584 [0,1,0,1,0,0|2,0,0]=4 24926 B12R1.459 C=CCCCN1CCCC1(C)C 269982a_100000761399_100000757094 [0,1,0,1,0,0|2,0,0]=4 24927 B12R1.459 C=CCCCN1CCCC1(C)C 34a_100000761399_100000757094 [0,1,0,1,0,0|2,0,0]=4 24928 B12R1.459 C=CCCNC1CCCC1(C)C 269862a_100015191253_100000065263 [0,1,0,1,0,0|2,0,0]=4 24929 B12R1.459 C=CCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000754431 [0,1,0,1,0,0|2,0,0]=4 24930 B12R1.459 C=CCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000754431 [0,1,0,1,0,0|2,0,0]=4 24931 B12R1.459 C=CCCOC1CCCC1(C)C 34a_100000726220_100000754431 [0,1,0,1,0,0|2,0,0]=4 24932 B12R1.459 C=CCCOC1CCCC1(C)C 7a_100000726220_100000754431 [0,1,0,1,0,0|2,0,0]=4 24933 B12R1.459 CC1(CCCN1CCCC=O)C 2230a_100000761399_200011292268 [0,1,0,1,0,0|1,0,0]=3 24934 B12R1.459 CC1(CCCN1CCCC=O)C 269982a_100000761399_200011292268 [0,1,0,1,0,0|1,0,0]=3 24935 B12R1.459 CC1(COCN1CCCC=O)C 2230a_100000043020_200011292268 [0,1,0,1,0,0|2,0,0]=4 24936 B12R1.459 CC1(COCN1CCCC=O)C 269982a_100000043020_200011292268 [0,1,0,1,0,0|2,0,0]=4 24937 B12R1.459 CC1(SCCN1CCCC=O)C 2230a_100011217261_200011292268 [0,1,0,1,0,0|2,0,0]=4 24938 B12R1.459 CC1(SCCN1CCCC=O)C 269982a_100011217261_200011292268 [0,1,0,1,0,0|2,0,0]=4 24939 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [0,1,0,1,0,0|1,0,0]=3 24940 B12R1.522 CCOCCN1CCC1C(=O)O 269956a_100000021838_100000210147 [0,1,0,1,0,0|2,0,0]=4 24941 B12R1.522 CCSCCN1CCC1C(=O)O 269956a_100000021838_100000757381 [0,1,0,1,0,0|2,0,0]=4 24942 B12R1.522 COCCCN1CCC1C(=O)O 269956a_100000021838_100000740836 [0,1,0,1,0,0|2,0,0]=4 24943 B12R1.522 O=C(O)C1CCN1CCCCF 269956a_100000021838_100000729493 [0,1,0,1,0,0|2,0,0]=4 24944 B12R1.522 O=C(O)C1CCN1CCCCO 269956a_100000021838_100000210776 [0,1,0,1,0,0|2,0,0]=4 24945 B12R1.1335 CC(=O)N1CCCCCCCC1 11a_100000039187_100015343762 [0,1,0,1,0,0|1,0,0]=3 24946 B12R1.1335 CC(=O)N1CCCCCCCC1 1626a_100000039187_100015343762 [0,1,0,1,0,0|1,0,0]=3 24947 B12R1.1335 CC(=O)N1CCCCCCCC1 240690a_100000039187_100015343762 [0,1,0,1,0,0|1,0,0]=3 24948 B12R1.1335 CC(=O)N1CCCCCCCC1 527a_100000039187_100103153847 [0,1,0,1,0,0|1,0,0]=3 24949 B12R1.1335 CN(C)C1CCCCCCCC1 270004a_100102631434_100000038600 [0,1,0,1,0,0|2,0,0]=4 24950 B12R1.1343 C=C(C)CCN1CCCCCC1 2230a_100000185865_100000730704 [0,1,0,1,0,0|2,0,0]=4 24951 B12R1.1343 C=C(C)CCN1CCCCCC1 269982a_100000185865_100000730704 [0,1,0,1,0,0|2,0,0]=4 24952 B12R1.1343 C=C(C)CCN1CCCCCC1 34a_100000185865_100000730704 [0,1,0,1,0,0|2,0,0]=4 24953 B12R1.1343 C=C(C)CNC1CCCCCC1 2230a_100000210984_100000748629 [0,1,0,1,0,0|2,0,0]=4 24954 B12R1.1343 C=C(C)CNC1CCCCCC1 34a_100000210984_100000748629 [0,1,0,1,0,0|2,0,0]=4 24955 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210245_100011217769 [0,1,0,1,0,0|2,0,0]=4 24956 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210887_100000748629 [0,1,0,1,0,0|2,0,0]=4 24957 B12R1.1343 C=C(C)COC1CCCCCC1 7a_100000210887_100000748629 [0,1,0,1,0,0|2,0,0]=4 24958 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100000748629_100011217769 [0,1,0,1,0,0|2,0,0]=4 24959 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100011217769_100000211660 [0,1,0,1,0,0|2,0,0]=4 24960 B12R1.1343 C=C(F)CNC1CCCCCC1 2230a_100000210984_100009893438 [0,1,0,1,0,0|2,0,0]=4 24961 B12R1.1343 C=C(F)CNC1CCCCCC1 34a_100000210984_100009893438 [0,1,0,1,0,0|2,0,0]=4 24962 B12R1.1343 C=C(F)COC1CCCCCC1 34a_100000210887_100009893438 [0,1,0,1,0,0|2,0,0]=4 24963 B12R1.1343 C=C(F)COC1CCCCCC1 34a_200010262243_100011217769 [0,1,0,1,0,0|2,0,0]=4 24964 B12R1.1343 C=C(F)COC1CCCCCC1 7a_100000210887_100000042424 [0,1,0,1,0,0|2,0,0]=4 24965 B12R1.1343 C=C(F)CSC1CCCCCC1 62a_100000042424_100011217769 [0,1,0,1,0,0|2,0,0]=4 24966 B12R1.1343 C=C(F)CSC1CCCCCC1 62a_100011217769_100000042424 [0,1,0,1,0,0|2,0,0]=4 24967 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [0,1,0,1,0,0|1,0,0]=3 24968 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [0,1,0,1,0,0|1,0,0]=3 24969 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [0,1,0,1,0,0|1,0,0]=3 24970 B12R1.1343 CC(=O)CCN1CCCOCC1 269982a_100000685342_100000053229 [0,1,0,1,0,0|2,0,0]=4 24971 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [0,1,0,1,0,0|1,0,0]=3 24972 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [0,1,0,1,0,0|1,0,0]=3 24973 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [0,1,0,1,0,0|1,0,0]=3 24974 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [0,1,0,1,0,0|1,0,0]=3 24975 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [0,1,0,1,0,0|1,0,0]=3 24976 B12R1.1343 CC(=O)OCN1CCCCCC1 269982a_100000185865_100000076356 [0,1,0,1,0,0|2,0,0]=4 24977 B12R1.1343 CC(=O)OCN1CCCCCC1 34a_100000185865_100009813279 [0,1,0,1,0,0|2,0,0]=4 24978 B12R1.1343 NC(=O)CCN1CCCCCC1 2230a_100000185865_100000744528 [0,1,0,1,0,0|1,0,0]=3 24979 B12R1.1343 NC(=O)CCN1CCCCCC1 269982a_100000185865_100000744528 [0,1,0,1,0,0|1,0,0]=3 24980 B12R1.1343 NC(=O)CCN1CCCCCC1 34a_100000185865_100000731001 [0,1,0,1,0,0|1,0,0]=3 24981 B12R1.1343 NC(=O)CCN1CCCOCC1 2230a_100000685342_100000744528 [0,1,0,1,0,0|2,0,0]=4 24982 B12R1.1343 NC(=O)CCN1CCCOCC1 269982a_100000685342_100000744528 [0,1,0,1,0,0|2,0,0]=4 24983 B12R1.1343 NC(=O)CCN1CCCOCC1 34a_100000685342_100000731001 [0,1,0,1,0,0|2,0,0]=4 24984 B12R1.1343 NC(=O)CNC1CCCCCC1 2230a_100000210984_100000747473 [0,1,0,1,0,0|1,0,0]=3 24985 B12R1.1343 NC(=O)CNC1CCCCCC1 34a_100000210984_100000187820 [0,1,0,1,0,0|1,0,0]=3 24986 B12R1.1343 NC(=O)COC1CCCCCC1 34a_100000210887_100000187820 [0,1,0,1,0,0|1,0,0]=3 24987 B12R1.1343 NC(=O)COC1CCCCCC1 7a_100000210887_100000187820 [0,1,0,1,0,0|1,0,0]=3 24988 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100000747473_100011217769 [0,1,0,1,0,0|1,0,0]=3 24989 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100011217769_100000747473 [0,1,0,1,0,0|1,0,0]=3 24990 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [0,1,0,1,0,0|1,0,0]=3 24991 B12R1.1343 O=C([O-])CNC1CCCCCC1 34a_100000210984_100020667443 [0,1,0,1,0,0|1,0,0]=3 24992 B12R1.1343 O=C([O-])COC1CCCCCC1 34a_100000210887_100020667443 [0,1,0,1,0,0|1,0,0]=3 24993 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100011217769_100020667443 [0,1,0,1,0,0|1,0,0]=3 24994 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100020667443_100011217769 [0,1,0,1,0,0|1,0,0]=3 24995 B12R1.1343 O=[N+]([O-])CNC1CCCCCC1 34a_100000210984_100000761209 [0,1,0,1,0,0|2,0,0]=4 24996 B12R1.1343 O=[N+]([O-])COC1CCCCCC1 34a_100000210887_100000761209 [0,1,0,1,0,0|2,0,0]=4 24997 B12R1.1343 O=[N+]([O-])CSC1CCCCCC1 62a_100011217769_100000761209 [0,1,0,1,0,0|2,0,0]=4 24998 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [0,1,0,1,0,0|1,0,0]=3 24999 B12R1.1392 C=C(C)CN1CCCCCCC1 2230a_100000211400_100000748629 [0,1,0,1,0,0|2,0,0]=4 25000 B12R1.1392 C=C(C)CN1CCCCCCC1 269982a_100000211400_100000748629 [0,1,0,1,0,0|2,0,0]=4 25001 B12R1.1392 C=C(C)CN1CCCCCCC1 34a_100000211400_100000748629 [0,1,0,1,0,0|2,0,0]=4 25002 B12R1.1392 C=C(F)CN1CCCCCCC1 2230a_100000211400_100009893438 [0,1,0,1,0,0|2,0,0]=4 25003 B12R1.1392 C=C(F)CN1CCCCCCC1 269982a_100000211400_100009893438 [0,1,0,1,0,0|2,0,0]=4 25004 B12R1.1392 C=C(F)CN1CCCCCCC1 34a_100000211400_100009893438 [0,1,0,1,0,0|2,0,0]=4 25005 B12R1.1392 CC(=O)NC1CCCCCCC1 11a_100000211152_100015343762 [0,1,0,1,0,0|1,0,0]=3 25006 B12R1.1392 CC(=O)NC1CCCCCCC1 1626a_100000211152_100015343762 [0,1,0,1,0,0|1,0,0]=3 25007 B12R1.1392 CC(=O)NC1CCCCCCC1 240690a_100000211152_100015343762 [0,1,0,1,0,0|1,0,0]=3 25008 B12R1.1392 CC(=O)NC1CCCCCCC1 527a_100000211152_100103153847 [0,1,0,1,0,0|1,0,0]=3 25009 B12R1.1392 CC(C)OC1C=CCCCCC1 34a_100000688657_100000210206 [0,1,0,1,0,0|2,0,0]=4 25010 B12R1.1392 NC(=O)CN1CCCCCCC1 2230a_100000211400_100000747473 [0,1,0,1,0,0|1,0,0]=3 25011 B12R1.1392 NC(=O)CN1CCCCCCC1 269982a_100000211400_100000187820 [0,1,0,1,0,0|1,0,0]=3 25012 B12R1.1392 NC(=O)CN1CCCCCCC1 34a_100000211400_100000187820 [0,1,0,1,0,0|1,0,0]=3 25013 B12R1.1392 O=C([O-])CN1CCCCCCC1 269982a_100000211400_100020667443 [0,1,0,1,0,0|1,0,0]=3 25014 B12R1.1392 O=C([O-])CN1CCCCCCC1 34a_100000211400_100020667443 [0,1,0,1,0,0|1,0,0]=3 25015 B12R1.1392 O=[N+]([O-])CN1CCCCCCC1 269982a_100000211400_100000761209 [0,1,0,1,0,0|2,0,0]=4 25016 B12R1.1392 O=[N+]([O-])CN1CCCCCCC1 34a_100000211400_100000761209 [0,1,0,1,0,0|2,0,0]=4 25017 B12R1.1995 C=CCCCOCC1CC1(C)C 34a_100000728257_100000757094 [0,1,0,1,0,0|2,0,0]=4 25018 B12R1.1995 C=CCCCOCC1CC1(C)C 7a_100000728257_100000757094 [0,1,0,1,0,0|2,0,0]=4 25019 B12R1.1995 CC1(CC1COCCCC=O)C 7a_100000728257_200011292268 [0,1,0,1,0,0|1,0,0]=3 25020 B12R1.1995 CC1(OC1COCCCC=O)C 7a_200010283642_200011292268 [0,1,0,1,0,0|2,0,0]=4 25021 B12R1.1995 O=CCCCCNC1CC1(F)F 2230a_100020610826_100000139335 [0,1,0,1,0,0|2,0,0]=4 25022 B12R1.1995 O=CCCCOCC1CC1(F)F 7a_100000056500_200011292268 [0,1,0,1,0,0|2,0,0]=4 25023 B12R1.1995 O=CCCCSCC1CC1(F)F 62a_100009817841_200011292268 [0,1,0,1,0,0|2,0,0]=4 25024 B12R1.1995 O=CCCCSCC1CC1(F)F 62a_200011292268_100009817841 [0,1,0,1,0,0|2,0,0]=4 25025 B12R2.2 C1=CC(CCC1)N2CCCC2 2230a_100000188435_100000751183 [0,0,0,2,0,0|2,0,0]=4 25026 B12R2.2 C1=CC(CCC1)N2CCCC2 269982a_100000188435_100000751183 [0,0,0,2,0,0|2,0,0]=4 25027 B12R2.10 CN1CCCC1C2CCCC2 2230a_100000743374_200000210301 [0,0,0,2,0,0|2,0,0]=4 25028 B12R2.10 CN1CCCC1C2CCCC2 269982a_100000743374_200000210301 [0,0,0,2,0,0|2,0,0]=4 25029 B12R2.10 CN1CCCC1C2CCCC2 34a_100000743374_200000210301 [0,0,0,2,0,0|2,0,0]=4 25030 B12R2.10 O=C1CCCC1N2CCCC2 2230a_100000188435_100000211823 [0,0,0,2,0,0|1,0,0]=3 25031 B12R2.10 O=C1CCCC1N2CCCC2 269982a_100000188435_100000211823 [0,0,0,2,0,0|1,0,0]=3 25032 B12R2.10 O=C1CCCC1N2CCSC2 2230a_100011215254_100000211823 [0,0,0,2,0,0|2,0,0]=4 25033 B12R2.10 O=C1CCCC1N2CCSC2 269982a_100011215254_100000211823 [0,0,0,2,0,0|2,0,0]=4 25034 B12R2.10 O=C1OCCC1N2CCCC2 2230a_100000188435_100000211211 [0,0,0,2,0,0|2,0,0]=4 25035 B12R2.10 O=C1OCCC1N2CCCC2 269982a_100000188435_100000211211 [0,0,0,2,0,0|2,0,0]=4 25036 B12R2.10 [13CH3]N1CCCC1C2CCCC2 2230a_100000743374_200025704644 [0,0,0,2,0,0|2,0,0]=4 25037 B12R2.10 [13CH3]N1CCCC1C2CCCC2 269982a_100000743374_200025704644 [0,0,0,2,0,0|2,0,0]=4 25038 B12R2.10 [13CH3]N1CCCC1C2CCCC2 34a_100000743374_200025704644 [0,0,0,2,0,0|2,0,0]=4 25039 B12R2.12 O=C1CCC1NC2CCCC2 34a_100000211070_100009892977 [0,0,0,2,0,0|1,0,0]=3 25040 B12R2.12 O=C1CCC1N[C@H]2CCOC2 34a_100015188467_100009892977 [0,0,0,2,0,0|2,0,0]=4 25041 B12R2.12 O=C1CCC1OC2CCCC2 34a_100000210269_100009892977 [0,0,0,2,0,0|1,0,0]=3 25042 B12R2.12 O=C1CCC1OC2CCCC2 7a_100000210269_100009892977 [0,0,0,2,0,0|1,0,0]=3 25043 B12R2.12 O=C1CCC1OC2CCCO2 34a_100000085407_100009892977 [0,0,0,2,0,0|2,0,0]=4 25044 B12R2.12 O=C1CCC1OC2CCSC2 7a_100011232664_100009892977 [0,0,0,2,0,0|2,0,0]=4 25045 B12R2.12 O=C1CCC1O[C@H]2CCOC2 34a_100000717292_100009892977 [0,0,0,2,0,0|2,0,0]=4 25046 B12R2.12 O=C1CCC1SC2CCCC2 62a_100009892977_100000179811 [0,0,0,2,0,0|1,0,0]=3 25047 B12R2.12 O=C1CCC1SC2CCCC2 62a_100011217020_100009892977 [0,0,0,2,0,0|1,0,0]=3 25048 B12R2.12 O=C1CCC1SC2CCOC2 62a_100009892977_100000690089 [0,0,0,2,0,0|2,0,0]=4 25049 B12R2.1435 O=CCOCC1C2C1CNC2 34a_100000045132_200009817547 [0,0,0,2,0,0|2,0,0]=4 25050 B12R2.2336 C=CCCN1CC2CCC1C2 2230a_100000743476_100000754431 [0,0,0,2,0,0|2,0,0]=4 25051 B12R2.2336 C=CCCN1CC2CCC1C2 269982a_100000743476_100000754431 [0,0,0,2,0,0|2,0,0]=4 25052 B12R2.2336 C=CCCN1CC2CCC1C2 34a_100000743476_100000754431 [0,0,0,2,0,0|2,0,0]=4 25053 B12R2.2336 C=CCNC1CC2CCC1C2 2230a_100000758229_100000210623 [0,0,0,2,0,0|2,0,0]=4 25054 B12R2.2336 C=CCNC1CC2CCC1C2 270004a_100020586998_100000223372 [0,0,0,2,0,0|2,0,0]=4 25055 B12R2.2336 C=CCNC1CC2CCC1C2 34a_100000758229_100015514636 [0,0,0,2,0,0|2,0,0]=4 25056 B12R2.2336 C=CCOC1CC2CCC1C2 34a_100000211339_100015514636 [0,0,0,2,0,0|2,0,0]=4 25057 B12R2.2336 C=CCOC1CC2CCC1C2 34a_200000210373_100000727232 [0,0,0,2,0,0|2,0,0]=4 25058 B12R2.2336 C=CCSC1CC2CCC1C2 62a_100000210623_100000727232 [0,0,0,2,0,0|2,0,0]=4 25059 B12R2.2336 C=CCSC1CC2CCC1C2 62a_100000727232_100000210623 [0,0,0,2,0,0|2,0,0]=4 25060 B12R2.2336 CCCCN1CC2C=CC1C2 2230a_100000732668_100000210211 [0,0,0,2,0,0|2,0,0]=4 25061 B12R2.2336 CCCCN1CC2C=CC1C2 269982a_100000732668_100000210211 [0,0,0,2,0,0|2,0,0]=4 25062 B12R2.2336 CCCCN1CC2C=CC1C2 34a_100000732668_100000210210 [0,0,0,2,0,0|2,0,0]=4 25063 B12R2.2336 CCCOC1CC2C=CC1C2 34a_100000043678_100000210303 [0,0,0,2,0,0|2,0,0]=4 25064 B12R2.2336 CCNCC1CC2C=CC1C2 2230a_100000189500_100000210202 [0,0,0,2,0,0|2,0,0]=4 25065 B12R2.2336 CCNCC1CC2C=CC1C2 2230a_100015525214_200009814271 [0,0,0,2,0,0|2,0,0]=4 25066 B12R2.2336 CCNCC1CC2C=CC1C2 34a_100000189500_100000210202 [0,0,0,2,0,0|2,0,0]=4 25067 B12R2.2336 CCOCC1CC2C=CC1C2 34a_100011215361_100000210202 [0,0,0,2,0,0|2,0,0]=4 25068 B12R2.2336 CCOCC1CC2C=CC1C2 34a_100121572206_200009814271 [0,0,0,2,0,0|2,0,0]=4 25069 B12R2.2336 CCSCC1CC2C=CC1C2 62a_100000139495_100000210202 [0,0,0,2,0,0|2,0,0]=4 25070 B12R2.2336 CCSCC1CC2C=CC1C2 62a_100000210202_100000139495 [0,0,0,2,0,0|2,0,0]=4 25071 B12R2.2336 O=CCNC1CC2CCC1C2 2230a_100000758229_200015260668 [0,0,0,2,0,0|1,0,0]=3 25072 B12R2.2336 O=CCNC1CC2CCC1C2 34a_100000758229_200009817547 [0,0,0,2,0,0|1,0,0]=3 25073 B12R2.2336 O=CCOC1CC2CCC1C2 34a_100000211339_200009817547 [0,0,0,2,0,0|1,0,0]=3 25074 B12R2.2336 O=CCSC1CC2CCC1C2 62a_100000727232_200015260668 [0,0,0,2,0,0|1,0,0]=3 25075 B12R2.2336 O=CCSC1CC2CCC1C2 62a_200015260668_100000727232 [0,0,0,2,0,0|1,0,0]=3 25076 B12R2.24 CN1CCC2CCCCC2C1 2230a_100000211783_200000210301 [0,0,0,2,0,0|2,0,0]=4 25077 B12R2.24 CN1CCC2CCCCC2C1 269982a_100000211783_200000210301 [0,0,0,2,0,0|2,0,0]=4 25078 B12R2.24 CN1CCC2CCCCC2C1 34a_100000211783_200000210301 [0,0,0,2,0,0|2,0,0]=4 25079 B12R2.24 [13CH3]N1CCC2CCCCC2C1 2230a_100000211783_200025704644 [0,0,0,2,0,0|2,0,0]=4 25080 B12R2.24 [13CH3]N1CCC2CCCCC2C1 269982a_100000211783_200025704644 [0,0,0,2,0,0|2,0,0]=4 25081 B12R2.24 [13CH3]N1CCC2CCCCC2C1 34a_100000211783_200025704644 [0,0,0,2,0,0|2,0,0]=4 25082 B12R2.225 O=C1CCCCC1NC2CC2 34a_100000212008_100000754470 [0,0,0,2,0,0|1,0,0]=3 25083 B12R2.225 O=C1CCCCC1OC2CC2 34a_100011214950_100000211595 [0,0,0,2,0,0|1,0,0]=3 25084 B12R2.225 O=C1CCCCC1SC2CC2 62a_100000204591_100000211595 [0,0,0,2,0,0|1,0,0]=3 25085 B12R2.225 O=C1CCOCC1NC2CC2 34a_100000212008_100012180262 [0,0,0,2,0,0|2,0,0]=4 25086 B12R2.225 O=C1CCOCC1SC2CC2 62a_100012180262_100000211595 [0,0,0,2,0,0|2,0,0]=4 25087 B12R2.225 O=C1NCCCC1NC2CC2 34a_100000212008_100000687798 [0,0,0,2,0,0|2,0,0]=4 25088 B12R2.225 O=C1NCCCC1NC2CC2 34a_100000747585_100000211595 [0,0,0,2,0,0|2,0,0]=4 25089 B12R2.225 O=C1NCCCC1OC2CC2 34a_100000073722_100000211595 [0,0,0,2,0,0|2,0,0]=4 25090 B12R2.225 O=C1NCCCC1SC2CC2 62a_100000687798_100000211595 [0,0,0,2,0,0|2,0,0]=4 25091 B12R2.517 O=C1CCCCC1N2CCC2 269982a_100000754969_100000204591 [0,0,0,2,0,0|1,0,0]=3 25092 B12R2.517 O=C1NCCCC1N2CCC2 269982a_100000754969_100000687798 [0,0,0,2,0,0|2,0,0]=4 25093 B12R2.1081 CN1CCCC2C1CCCC2 2230a_100000211887_200000210301 [0,0,0,2,0,0|2,0,0]=4 25094 B12R2.1081 CN1CCCC2C1CCCC2 269982a_100000211887_200000210301 [0,0,0,2,0,0|2,0,0]=4 25095 B12R2.1081 CN1CCCC2C1CCCC2 34a_100000211887_200000210301 [0,0,0,2,0,0|2,0,0]=4 25096 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 2230a_100000211887_200025704644 [0,0,0,2,0,0|2,0,0]=4 25097 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 269982a_100000211887_200025704644 [0,0,0,2,0,0|2,0,0]=4 25098 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 34a_100000211887_200025704644 [0,0,0,2,0,0|2,0,0]=4 25099 B12R2.44 COC1CCC2CCCC2C1 34a_100000073670_200000210301 [0,0,0,2,0,0|2,0,0]=4 25100 B12R2.44 COC1CCC2CCCC2C1 7a_100000073670_200000210301 [0,0,0,2,0,0|2,0,0]=4 25101 B12R2.44 [13CH3]OC1CCC2CCCC2C1 34a_100000073670_200025704644 [0,0,0,2,0,0|2,0,0]=4 25102 B12R2.44 [13CH3]OC1CCC2CCCC2C1 7a_100000073670_200025704644 [0,0,0,2,0,0|2,0,0]=4 25103 B12R2.264 C=CCCN1C2CCC1CC2 2230a_100000735658_100000754431 [0,0,0,2,0,0|2,0,0]=4 25104 B12R2.264 C=CCCN1C2CCC1CC2 269982a_100000735658_100000754431 [0,0,0,2,0,0|2,0,0]=4 25105 B12R2.264 C=CCCN1C2CCC1CC2 34a_100000735658_100000754431 [0,0,0,2,0,0|2,0,0]=4 25106 B12R2.264 C=CCOC1C2CCC1CC2 34a_200000210373_100009813300 [0,0,0,2,0,0|2,0,0]=4 25107 B12R2.264 C=CCSC1C2CCC1CC2 62a_100000210623_100009813300 [0,0,0,2,0,0|2,0,0]=4 25108 B12R2.264 C=CCSC1C2CCC1CC2 62a_100009813300_100000210623 [0,0,0,2,0,0|2,0,0]=4 25109 B12R2.264 O=CCSC1C2CCC1CC2 62a_100009813300_200015260668 [0,0,0,2,0,0|1,0,0]=3 25110 B12R2.264 O=CCSC1C2CCC1CC2 62a_200015260668_100009813300 [0,0,0,2,0,0|1,0,0]=3 25111 B12R2.297 C=CCCN1CCCC12CC2 2230a_100020620911_100000754431 [0,0,0,2,0,0|2,0,0]=4 25112 B12R2.297 C=CCCN1CCCC12CC2 269982a_100020620911_100000754431 [0,0,0,2,0,0|2,0,0]=4 25113 B12R2.297 C=CCCN1CCCC12CC2 34a_100020620911_100000754431 [0,0,0,2,0,0|2,0,0]=4 25114 B12R2.16 CNCC1CC12CCCCC2 2230a_100015185624_200000210301 [0,0,0,2,0,0|2,0,0]=4 25115 B12R2.16 CNCC1CC12CCCCC2 34a_100015185624_200000210301 [0,0,0,2,0,0|2,0,0]=4 25116 B12R2.16 [13CH3]NCC1CC12CCCCC2 2230a_100015185624_200025704644 [0,0,0,2,0,0|2,0,0]=4 25117 B12R2.16 [13CH3]NCC1CC12CCCCC2 34a_100015185624_200025704644 [0,0,0,2,0,0|2,0,0]=4 25118 B12R2.23 CC1CCN1C2C=CCCC2 269982a_100000755817_100000751183 [0,0,0,2,0,0|2,0,0]=4 25119 B12R2.23 O=C1CCC1N2CCCOC2 269982a_100000131196_100009892977 [0,0,0,2,0,0|2,0,0]=4 25120 B12R2.23 O=C1CCC1N2CCCOC2 34a_100000131196_100009892977 [0,0,0,2,0,0|2,0,0]=4 25121 B12R2.23 O=C1CCC1N2CCOCC2 269982a_100015191051_100009892977 [0,0,0,2,0,0|2,0,0]=4 25122 B12R2.23 O=C1CCC1N2CCOCC2 34a_100015191051_100009892977 [0,0,0,2,0,0|2,0,0]=4 25123 B12R2.23 O=C1CCC1N2CCSCC2 269982a_100000737611_100009892977 [0,0,0,2,0,0|2,0,0]=4 25124 B12R2.186 C=CCN1CC2CCC1CC2 2230a_100000750499_100000210623 [0,0,0,2,0,0|2,0,0]=4 25125 B12R2.186 C=CCN1CC2CCC1CC2 269982a_100000750499_100000210623 [0,0,0,2,0,0|2,0,0]=4 25126 B12R2.186 C=CCN1CC2CCC1CC2 34a_100000750499_100015514636 [0,0,0,2,0,0|2,0,0]=4 25127 B12R2.186 CNCC1CC2C=CC1CC2 269862a_106832991636_100010619355 [0,0,0,2,0,0|2,0,0]=4 25128 B12R2.186 O=CCN1CC2CCC1CC2 2230a_100000750499_200015260668 [0,0,0,2,0,0|1,0,0]=3 25129 B12R2.186 O=CCN1CC2CCC1CC2 269982a_100000750499_200015260668 [0,0,0,2,0,0|1,0,0]=3 25130 B12R2.186 O=CCN1CC2CCC1CC2 34a_100000750499_200009817547 [0,0,0,2,0,0|1,0,0]=3 25131 B12R2.1974 C=CCCNC1CCC2C1C2 269862a_100015191253_100000692480 [0,0,0,2,0,0|2,0,0]=4 25132 B12R2.1974 C=CCCNC1CCC2C1C2 270004a_100015191253_100000692480 [0,0,0,2,0,0|2,0,0]=4 25133 B12R2.1974 C=CCCOC1CCC2C1C2 34a_200012295571_100000754431 [0,0,0,2,0,0|2,0,0]=4 25134 B12R2.2057 C1=CC(CCC1)NCC2CC2 2230a_100000735609_100000751183 [0,0,0,2,0,0|2,0,0]=4 25135 B12R2.2057 C1=CC(CCC1)OCC2CC2 34a_100011215024_100000742324 [0,0,0,2,0,0|2,0,0]=4 25136 B12R2.2057 C1=CC(CCC1)SCC2CC2 62a_100000751183_100000742324 [0,0,0,2,0,0|2,0,0]=4 25137 B12R2.2057 C1=CC(CCC1)SCC2CC2 62a_100000756562_100000751183 [0,0,0,2,0,0|2,0,0]=4 25138 B12R2.2058 C1=CC(CCC1)NC2CCC2 2230a_100000749019_100000751183 [0,0,0,2,0,0|2,0,0]=4 25139 B12R2.2058 C1=CC(CCC1)OC2CCC2 34a_100011215024_100000749161 [0,0,0,2,0,0|2,0,0]=4 25140 B12R2.2058 C1=CC(CCC1)SC2CCC2 62a_100000751183_100000749161 [0,0,0,2,0,0|2,0,0]=4 25141 B12R2.2110 C=CCCCN1CC2CC2C1 2230a_100000741873_100011713584 [0,0,0,2,0,0|2,0,0]=4 25142 B12R2.2110 C=CCCCN1CC2CC2C1 269982a_100000741873_100000757094 [0,0,0,2,0,0|2,0,0]=4 25143 B12R2.2110 C=CCCCN1CC2CC2C1 34a_100000741873_100000757094 [0,0,0,2,0,0|2,0,0]=4 25144 B12R2.2110 C=CCCNC1CC2CC2C1 270004a_100015191253_100010340937 [0,0,0,2,0,0|2,0,0]=4 25145 B12R2.2110 O=CCCCN1CC2CC2C1 2230a_100000741873_200011292268 [0,0,0,2,0,0|1,0,0]=3 25146 B12R2.2110 O=CCCCN1CC2CC2C1 269982a_100000741873_200011292268 [0,0,0,2,0,0|1,0,0]=3 25147 B12R2.165 O=CCN1C2CCC1COC2 2230a_100015205251_200015260668 [0,0,0,2,0,0|2,0,0]=4 25148 B12R2.165 O=CCN1C2CCC1COC2 269982a_100015205251_200015260668 [0,0,0,2,0,0|2,0,0]=4 25149 B12R2.165 O=CCN1C2CCC1COC2 34a_100015205251_200009817547 [0,0,0,2,0,0|2,0,0]=4 25150 B12R2.211 O=C1CCCC1N[C@@H]2C[C@@H]2F 2230a_100015190264_100000211823 [0,0,0,2,0,0|2,0,0]=4 25151 B12R2.211 O=C1CCCC1N[C@@H]2C[C@H]2F 2230a_100025746932_100000211823 [0,0,0,2,0,0|2,0,0]=4 25152 B12R2.211 O=C1CCCC1N[C@@H]2C[C@H]2F 34a_100025746932_100000709159 [0,0,0,2,0,0|2,0,0]=4 25153 B12R2.244 CC1CC1COC2CCC2=O 34a_100000744939_100009892977 [0,0,0,2,0,0|1,0,0]=3 25154 B12R2.244 CC1CC1COC2CCC2=O 7a_100000744939_100009892977 [0,0,0,2,0,0|1,0,0]=3 25155 B12R2.1114 O=C1CCCC1NC2CCC2 2230a_100000749019_100000211823 [0,0,0,2,0,0|1,0,0]=3 25156 B12R2.1114 O=C1CCCC1NC2CCC2 34a_100000749019_100000709159 [0,0,0,2,0,0|1,0,0]=3 25157 B12R2.1114 O=C1CCCC1NC2COC2 2230a_100016991112_100000211823 [0,0,0,2,0,0|2,0,0]=4 25158 B12R2.1114 O=C1CCCC1OC2CCC2 34a_100000748187_100000709159 [0,0,0,2,0,0|1,0,0]=3 25159 B12R2.1114 O=C1CCCC1OC2CCC2 34a_200000719330_100000749161 [0,0,0,2,0,0|1,0,0]=3 25160 B12R2.1114 O=C1CCCC1OC2COC2 34a_200000719330_100009818527 [0,0,0,2,0,0|2,0,0]=4 25161 B12R2.1114 O=C1CCCC1OC2CSC2 7a_100000072292_100000211823 [0,0,0,2,0,0|2,0,0]=4 25162 B12R2.1114 O=C1CCCC1SC2CCC2 62a_100000211823_100000749161 [0,0,0,2,0,0|1,0,0]=3 25163 B12R2.1114 O=C1CCCC1SC2COC2 62a_100000211823_100009818527 [0,0,0,2,0,0|2,0,0]=4 25164 B12R2.1114 O=C1CCCN1CN2CCC2 269982a_100000754969_100000026320 [0,0,0,2,0,0|2,0,0]=4 25165 B12R2.1114 O=C1NCCC1NC2CCC2 270004a_100016995588_100000241760 [0,0,0,2,0,0|2,0,0]=4 25166 B12R2.1114 O=C1NCCC1NC2CCC2 34a_100016995588_100000749161 [0,0,0,2,0,0|2,0,0]=4 25167 B12R2.1114 O=C1NCC[C@@H]1OC2CCC2 34a_100000688343_100000749161 [0,0,0,2,0,0|2,0,0]=4 25168 B12R2.1114 O=C1OCCC1NC2CCC2 2230a_100000749019_100000211211 [0,0,0,2,0,0|2,0,0]=4 25169 B12R2.1114 O=C1OCCC1NC2CCC2 34a_100000749019_100000211211 [0,0,0,2,0,0|2,0,0]=4 25170 B12R2.1114 O=C1OCCC1OC2CCC2 34a_100000748187_100000211211 [0,0,0,2,0,0|2,0,0]=4 25171 B12R2.1114 O=C1OCCC1SC2CCC2 62a_100000211211_100000749161 [0,0,0,2,0,0|2,0,0]=4 25172 B12R2.1310 O=C1CCC1CCN2CCC2 269982a_100000754969_200016118888 [0,0,0,2,0,0|1,0,0]=3 25173 B12R2.1310 O=C1CCC1NCC2CCC2 34a_100000738700_100009892977 [0,0,0,2,0,0|1,0,0]=3 25174 B12R2.1310 O=C1CCC1NCC2COC2 34a_100015281925_100009892977 [0,0,0,2,0,0|2,0,0]=4 25175 B12R2.1310 O=C1CCC1NC[C@@H]2CCO2 34a_100020831831_100009892977 [0,0,0,2,0,0|2,0,0]=4 25176 B12R2.1310 O=C1CCC1OCC2CCC2 34a_100000760304_100009892977 [0,0,0,2,0,0|1,0,0]=3 25177 B12R2.1310 O=C1CCC1OCC2CCO2 34a_100000039022_100009892977 [0,0,0,2,0,0|2,0,0]=4 25178 B12R2.1310 O=C1CCC1OCC2CNC2 34a_100016987283_100009892977 [0,0,0,2,0,0|2,0,0]=4 25179 B12R2.1310 O=C1CCC1OCC2COC2 34a_100000060846_100009892977 [0,0,0,2,0,0|2,0,0]=4 25180 B12R2.1310 O=C1CCC1SCC2CCC2 62a_100000763275_100009892977 [0,0,0,2,0,0|1,0,0]=3 25181 B12R2.1310 O=C1CCC1SCC2CCC2 62a_100009892977_100000763275 [0,0,0,2,0,0|1,0,0]=3 25182 B12R2.1310 O=C1CCC1SCC2CCO2 62a_100000103362_100009892977 [0,0,0,2,0,0|2,0,0]=4 25183 B12R2.1310 O=C1CCC1SCC2CCO2 62a_100009892977_100000103362 [0,0,0,2,0,0|2,0,0]=4 25184 B12R2.1310 O=C1CCC1SCC2COC2 62a_100009892977_100010264016 [0,0,0,2,0,0|2,0,0]=4 25185 B12R2.1310 O=C1CCC1SCC2COC2 62a_100010264016_100009892977 [0,0,0,2,0,0|2,0,0]=4 25186 B12R2.466 O=C1CCCC1NCC2CC2 2230a_100000735609_100000211823 [0,0,0,2,0,0|1,0,0]=3 25187 B12R2.466 O=C1CCCC1NCC2CC2 34a_100000735609_100000709159 [0,0,0,2,0,0|1,0,0]=3 25188 B12R2.466 O=C1CCCC1OCC2CC2 34a_100000211283_100000709159 [0,0,0,2,0,0|1,0,0]=3 25189 B12R2.466 O=C1CCCC1OCC2CC2 34a_200000719330_100000742324 [0,0,0,2,0,0|1,0,0]=3 25190 B12R2.466 O=C1CCCC1OCC2CO2 34a_200000719330_102125554688 [0,0,0,2,0,0|2,0,0]=4 25191 B12R2.466 O=C1CCCC1OC[C@@H]2CO2 34a_100000757423_100000709159 [0,0,0,2,0,0|2,0,0]=4 25192 B12R2.466 O=C1CCCC1SCC2CC2 62a_100000211823_100000742324 [0,0,0,2,0,0|1,0,0]=3 25193 B12R2.466 O=C1CCCC1SCC2CC2 62a_100000756562_100000211823 [0,0,0,2,0,0|1,0,0]=3 25194 B12R2.466 O=C1CCCC1SCC2CO2 62a_100000211823_102125554688 [0,0,0,2,0,0|2,0,0]=4 25195 B12R2.466 O=C1CCCC1SCC2CO2 62a_102125554688_100000211823 [0,0,0,2,0,0|2,0,0]=4 25196 B12R2.466 O=C1CCCC1SCC2CS2 62a_100000031435_100000211823 [0,0,0,2,0,0|2,0,0]=4 25197 B12R2.466 O=C1CCCC1SCC2CS2 62a_100000211823_100000031435 [0,0,0,2,0,0|2,0,0]=4 25198 B12R2.466 O=C1CCCC1SC[C@@H]2CO2 62a_100000211823_100000745022 [0,0,0,2,0,0|2,0,0]=4 25199 B12R2.466 O=C1CCCC1SC[C@@H]2CO2 62a_100000745022_100000211823 [0,0,0,2,0,0|2,0,0]=4 25200 B12R2.466 O=C1CCCN1CSC2CC2 62a_100000026320_100000211595 [0,0,0,2,0,0|2,0,0]=4 25201 B12R2.466 O=C1NCCC1COC2CC2 34a_100000133458_100000211595 [0,0,0,2,0,0|2,0,0]=4 25202 B12R2.466 O=C1NCCC1NCC2CC2 2230a_100016995588_100000742324 [0,0,0,2,0,0|2,0,0]=4 25203 B12R2.466 O=C1NCCC1NCC2CC2 34a_100016995588_100000742324 [0,0,0,2,0,0|2,0,0]=4 25204 B12R2.466 O=C1NCC[C@@H]1OCC2CC2 34a_100000688343_100000742324 [0,0,0,2,0,0|2,0,0]=4 25205 B12R2.466 O=C1OCCC1NCC2CC2 2230a_100000735609_100000211211 [0,0,0,2,0,0|2,0,0]=4 25206 B12R2.466 O=C1OCCC1NCC2CC2 34a_100000735609_100000211211 [0,0,0,2,0,0|2,0,0]=4 25207 B12R2.466 O=C1OCCC1OCC2CC2 34a_100000211283_100000211211 [0,0,0,2,0,0|2,0,0]=4 25208 B12R2.466 O=C1OCCC1SCC2CC2 62a_100000211211_100000742324 [0,0,0,2,0,0|2,0,0]=4 25209 B12R2.466 O=C1OCCC1SCC2CC2 62a_100000756562_100000211211 [0,0,0,2,0,0|2,0,0]=4 25210 B12R2.1298 O=C1CCC1CCSC2CC2 62a_200016118888_100000211595 [0,0,0,2,0,0|1,0,0]=3 25211 B12R2.1298 O=C1CCC1NCCC2CC2 34a_100000764129_100009892977 [0,0,0,2,0,0|1,0,0]=3 25212 B12R2.1298 O=C1CCC1OCCC2CC2 34a_100000754188_100009892977 [0,0,0,2,0,0|1,0,0]=3 25213 B12R2.1298 O=C1CCC1OCCC2CC2 7a_100000754188_100009892977 [0,0,0,2,0,0|1,0,0]=3 25214 B12R2.1298 O=C1CCC1OCC[C@@H]2CO2 34a_100009820653_100009892977 [0,0,0,2,0,0|2,0,0]=4 25215 B12R2.1298 O=C1CCC1SCCC2CC2 62a_100000764125_100009892977 [0,0,0,2,0,0|1,0,0]=3 25216 B12R2.1298 O=C1CCC1SCCC2CC2 62a_100009892977_100000764125 [0,0,0,2,0,0|1,0,0]=3 25217 B12R2.1298 O=C1CCC1SCCC2CO2 62a_100000732470_100009892977 [0,0,0,2,0,0|2,0,0]=4 25218 B12R2.1298 O=C1CCC1SCCC2CO2 62a_100009892977_100000732470 [0,0,0,2,0,0|2,0,0]=4 25219 B12R2.2274 C=CCN1CCCC1C2CC2 2230a_200000757794_100000210623 [0,0,0,2,0,0|2,0,0]=4 25220 B12R2.2274 C=CCN1CCCC1C2CC2 269982a_200000757794_100000210623 [0,0,0,2,0,0|2,0,0]=4 25221 B12R2.2274 C=CCN1CCCC1C2CC2 34a_200000757794_100015514636 [0,0,0,2,0,0|2,0,0]=4 25222 B12R2.2274 O=CCN1CCCC1C2CC2 2230a_200000757794_200015260668 [0,0,0,2,0,0|1,0,0]=3 25223 B12R2.2274 O=CCN1CCCC1C2CC2 269982a_200000757794_200015260668 [0,0,0,2,0,0|1,0,0]=3 25224 B12R2.2274 O=CCN1CCCC1C2CC2 34a_200000757794_200009817547 [0,0,0,2,0,0|1,0,0]=3 25225 B12R2.191 CN1C[C@@H]2C[C@H]1CN2CC=O 2230a_100025763010_200015260668 [0,0,0,2,0,0|2,0,0]=4 25226 B12R2.191 CN1C[C@@H]2C[C@H]1CN2CC=O 269982a_100025763010_200015260668 [0,0,0,2,0,0|2,0,0]=4 25227 B12R2.4960 CNCC12CCCC1CCC2 2230a_100159271432_200000210301 [0,0,0,2,0,0|2,0,0]=4 25228 B12R2.4960 CNCC12CCCC1CCC2 34a_100159271432_200000210301 [0,0,0,2,0,0|2,0,0]=4 25229 B12R2.4960 [13CH3]NCC12CCCC1CCC2 2230a_100159271432_200025704644 [0,0,0,2,0,0|2,0,0]=4 25230 B12R2.4960 [13CH3]NCC12CCCC1CCC2 34a_100159271432_200025704644 [0,0,0,2,0,0|2,0,0]=4 25231 B12R2.39 C=CCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000210623 [0,0,0,2,0,0|2,0,0]=4 25232 B12R2.39 C=CCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000210623 [0,0,0,2,0,0|2,0,0]=4 25233 B12R2.39 C=CCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100015514636 [0,0,0,2,0,0|2,0,0]=4 25234 B12R2.39 O=CCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200015260668 [0,0,0,2,0,0|1,0,0]=3 25235 B12R2.39 O=CCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200015260668 [0,0,0,2,0,0|1,0,0]=3 25236 B12R2.39 O=CCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_200009817547 [0,0,0,2,0,0|1,0,0]=3 25237 B12R2.39 O=CCN1C[C@H]2COC[C@H]2C1 2230a_100000700037_200015260668 [0,0,0,2,0,0|2,0,0]=4 25238 B12R2.39 O=CCN1C[C@H]2COC[C@H]2C1 269982a_100000700037_200015260668 [0,0,0,2,0,0|2,0,0]=4 25239 B12R2.39 O=CCN1C[C@H]2COC[C@H]2C1 34a_100000700037_200009817547 [0,0,0,2,0,0|2,0,0]=4 25240 B12R2.110 CC1CCN1C2CCCC2=O 269982a_100000755817_100000211823 [0,0,0,2,0,0|1,0,0]=3 25241 B12R2.110 CC1CCN1C2CCCC2=O 34a_100000755817_100000709159 [0,0,0,2,0,0|1,0,0]=3 25242 B12R2.110 CC1CCN1C2CCOC2=O 269982a_100000755817_100000211211 [0,0,0,2,0,0|2,0,0]=4 25243 B12R2.110 CC1CCN1C2CCOC2=O 34a_100000755817_100000211211 [0,0,0,2,0,0|2,0,0]=4 25244 B12R2.110 CC1SCCN1C2CCC2=O 269982a_200011216479_100009892977 [0,0,0,2,0,0|2,0,0]=4 25245 B12R2.110 CC1SCCN1C2CCC2=O 34a_200011216479_100009892977 [0,0,0,2,0,0|2,0,0]=4 25246 B12R2.110 C[C@@H]1CCCN1C2CCC2=O 269982a_100015189458_100009892977 [0,0,0,2,0,0|1,0,0]=3 25247 B12R2.110 C[C@@H]1CCCN1C2CCC2=O 34a_100015189458_100009892977 [0,0,0,2,0,0|1,0,0]=3 25248 B12R2.110 C[C@H]1CCCN1C2CCC2=O 269982a_100020605311_100009892977 [0,0,0,2,0,0|1,0,0]=3