0 B13R0.336 C#CCCCCCCCCCCOC 34a_100000054667_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B13R0.336 C#CCCCCCCCCCCOC 7a_100000054667_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B13R0.336 C#CCCCCCCCCCCO[13CH3] 34a_100000054667_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B13R0.336 C#CCCCCCCCCCCO[13CH3] 7a_100000054667_200025704644 [0,0,0,0,0,0|2,0,1]=3 4 B13R0.336 C#CCCCCCCCCCOCC 34a_100000034437_100000210202 [0,0,0,0,0,0|2,0,1]=3 5 B13R0.336 C#CCCCCCCCCCOCC 7a_100000034437_100000210202 [0,0,0,0,0,0|2,0,1]=3 6 B13R0.336 C#CCCCCCCCCCOCF 34a_100000034437_100015361967 [0,0,0,0,0,0|3,0,1]=4 7 B13R0.336 C#CCCCCCCCCCOCF 7a_100000034437_100015361967 [0,0,0,0,0,0|3,0,1]=4 8 B13R0.336 C#CCCCCCCCCOCC=C 34a_100000065265_100015514636 [0,0,0,0,0,0|2,0,2]=4 9 B13R0.336 C#CCCCCCCCCOCC=C 7a_100000065265_100015514636 [0,0,0,0,0,0|2,0,2]=4 10 B13R0.336 C#CCCCCCCCCOCC=O 34a_100000065265_200009817547 [0,0,0,0,0,0|1,0,2]=3 11 B13R0.336 C#CCCCCCCCCOCC=O 7a_100000065265_200015260668 [0,0,0,0,0,0|1,0,2]=3 12 B13R0.336 C#CCCCCCCCCOCCC 34a_100000065265_100000210303 [0,0,0,0,0,0|2,0,1]=3 13 B13R0.336 C#CCCCCCCCCOCCC 7a_100000065265_100000210303 [0,0,0,0,0,0|2,0,1]=3 14 B13R0.336 C#CCCCCCCCCOCCF 34a_100000065265_100011217306 [0,0,0,0,0,0|3,0,1]=4 15 B13R0.336 C#CCCCCCCCCOCCF 7a_100000065265_100011217306 [0,0,0,0,0,0|3,0,1]=4 16 B13R0.336 C#CCCCCCCCCOCCO 34a_100000065265_100000211926 [0,0,0,0,0,0|3,0,1]=4 17 B13R0.336 C#CCCCCCCCCOCCO 7a_100000065265_100000211926 [0,0,0,0,0,0|3,0,1]=4 18 B13R0.336 C#CCCCCCCCCOCSC 34a_100000065265_100011218213 [0,0,0,0,0,0|3,0,1]=4 19 B13R0.336 C#CCCCCCCCNCCC=C 2230a_100015191253_100153394163 [0,0,0,0,0,0|2,0,2]=4 20 B13R0.336 C#CCCCCCCCNCCCC 2230a_100000102301_100153394163 [0,0,0,0,0,0|2,0,1]=3 21 B13R0.336 C#CCCCCCCCNCCCC 7a_106832991798_100153394163 [0,0,0,0,0,0|2,0,1]=3 22 B13R0.336 C#CCCCCCCCNCCCF 2230a_100015189416_100153394163 [0,0,0,0,0,0|3,0,1]=4 23 B13R0.336 C#CCCCCCCCNCCCF 34a_100015189416_100153394163 [0,0,0,0,0,0|3,0,1]=4 24 B13R0.336 C#CCCCCCCCNCCOC 2230a_100000209980_100153394163 [0,0,0,0,0,0|3,0,1]=4 25 B13R0.336 C#CCCCCCCCNCCSC 2230a_100020590264_100153394163 [0,0,0,0,0,0|3,0,1]=4 26 B13R0.336 C#CCCCCCCCOCCC=C 34a_100000054614_100000754431 [0,0,0,0,0,0|2,0,2]=4 27 B13R0.336 C#CCCCCCCCOCCC=C 34a_100011205117_100153394163 [0,0,0,0,0,0|2,0,2]=4 28 B13R0.336 C#CCCCCCCCOCCC=C 7a_100000054614_100000754431 [0,0,0,0,0,0|2,0,2]=4 29 B13R0.336 C#CCCCCCCCOCCCBr 34a_100011217188_100153394163 [0,0,0,0,0,0|3,0,1]=4 30 B13R0.336 C#CCCCCCCCOCCCC 34a_100000054614_100000210210 [0,0,0,0,0,0|2,0,1]=3 31 B13R0.336 C#CCCCCCCCOCCCC 34a_100000210227_100153394163 [0,0,0,0,0,0|2,0,1]=3 32 B13R0.336 C#CCCCCCCCOCCCC 7a_100000054614_100000210211 [0,0,0,0,0,0|2,0,1]=3 33 B13R0.336 C#CCCCCCCCOCCCC 7a_100000210227_100153394163 [0,0,0,0,0,0|2,0,1]=3 34 B13R0.336 C#CCCCCCCCOCCCCl 34a_100000230001_100153394163 [0,0,0,0,0,0|3,0,1]=4 35 B13R0.336 C#CCCCCCCCOCCCF 34a_100000054614_100011934791 [0,0,0,0,0,0|3,0,1]=4 36 B13R0.336 C#CCCCCCCCOCCCF 34a_100000759539_100153394163 [0,0,0,0,0,0|3,0,1]=4 37 B13R0.336 C#CCCCCCCCOCCCF 7a_100000054614_100011934791 [0,0,0,0,0,0|3,0,1]=4 38 B13R0.336 C#CCCCCCCCOCCCN 34a_100000182051_100153394163 [0,0,0,0,0,0|3,0,1]=4 39 B13R0.336 C#CCCCCCCCOCCCO 34a_100000054614_100000230001 [0,0,0,0,0,0|3,0,1]=4 40 B13R0.336 C#CCCCCCCCOCCCO 7a_100000054614_100011215043 [0,0,0,0,0,0|3,0,1]=4 41 B13R0.336 C#CCCCCCCCOCCOC 34a_100000054614_100011201679 [0,0,0,0,0,0|3,0,1]=4 42 B13R0.336 C#CCCCCCCCOCCOC 34a_100000210237_100153394163 [0,0,0,0,0,0|3,0,1]=4 43 B13R0.336 C#CCCCCCCCOCCOC 7a_100000054614_100000233755 [0,0,0,0,0,0|3,0,1]=4 44 B13R0.336 C#CCCCCCCCOCCSC 34a_100000054614_100000212216 [0,0,0,0,0,0|3,0,1]=4 45 B13R0.336 C#CCCCCCCCOCCSC 34a_100000230434_100153394163 [0,0,0,0,0,0|3,0,1]=4 46 B13R0.336 C#CCCCCCCCOCCSC 7a_100000054614_100000212216 [0,0,0,0,0,0|3,0,1]=4 47 B13R0.336 C#CCCCCCCCOCCSC 7a_100000230434_100153394163 [0,0,0,0,0,0|3,0,1]=4 48 B13R0.336 C#CCCCCCCCSCCC=C 62a_100000754431_100153394163 [0,0,0,0,0,0|2,0,2]=4 49 B13R0.336 C#CCCCCCCCSCCC=C 62a_100153394163_100000754431 [0,0,0,0,0,0|2,0,2]=4 50 B13R0.336 C#CCCCCCCCSCCCC 62a_100000210211_100153394163 [0,0,0,0,0,0|2,0,1]=3 51 B13R0.336 C#CCCCCCCCSCCCC 62a_100153394163_100000210210 [0,0,0,0,0,0|2,0,1]=3 52 B13R0.336 C#CCCCCCCCSCCCF 62a_100011934791_100153394163 [0,0,0,0,0,0|3,0,1]=4 53 B13R0.336 C#CCCCCCCCSCCCF 62a_100153394163_100011934791 [0,0,0,0,0,0|3,0,1]=4 54 B13R0.336 C#CCCCCCCCSCCCO 62a_100011215043_100153394163 [0,0,0,0,0,0|3,0,1]=4 55 B13R0.336 C#CCCCCCCCSCCCO 62a_100153394163_100011215043 [0,0,0,0,0,0|3,0,1]=4 56 B13R0.336 C#CCCCCCCCSCCOC 62a_100000233755_100153394163 [0,0,0,0,0,0|3,0,1]=4 57 B13R0.336 C#CCCCCCCCSCCOC 62a_100153394163_100000233755 [0,0,0,0,0,0|3,0,1]=4 58 B13R0.336 C#CCCCCCCCSCCSC 62a_100000212216_100153394163 [0,0,0,0,0,0|3,0,1]=4 59 B13R0.336 C#CCCCCCCCSCCSC 62a_100153394163_100000751147 [0,0,0,0,0,0|3,0,1]=4 60 B13R0.336 C#CCCCCCCCSCOCC 62a_100000739092_100153394163 [0,0,0,0,0,0|3,0,1]=4 61 B13R0.336 C#CCCCCCCCSCOCC 62a_100153394163_100000739092 [0,0,0,0,0,0|3,0,1]=4 62 B13R0.336 C#CCCCCCCNCCCC=C 2230a_100000700776_100012276617 [0,0,0,0,0,0|2,0,2]=4 63 B13R0.336 C#CCCCCCCNCCCC=C 34a_100000700776_100012276617 [0,0,0,0,0,0|2,0,2]=4 64 B13R0.336 C#CCCCCCCNCCCCC 2230a_100000209983_100012276617 [0,0,0,0,0,0|2,0,1]=3 65 B13R0.336 C#CCCCCCCNCCCCO 2230a_100000750430_100012276617 [0,0,0,0,0,0|3,0,1]=4 66 B13R0.336 C#CCCCCCCNCCCCO 34a_100000750430_100012276617 [0,0,0,0,0,0|3,0,1]=4 67 B13R0.336 C#CCCCCCCNCCCOC 34a_100150723488_100012276617 [0,0,0,0,0,0|3,0,1]=4 68 B13R0.336 C#CCCCCCCNCCCSC 2230a_100000749238_100012276617 [0,0,0,0,0,0|3,0,1]=4 69 B13R0.336 C#CCCCCCCNCCOCC 2230a_102516460346_100012276617 [0,0,0,0,0,0|3,0,1]=4 70 B13R0.336 C#CCCCCCCNCCOCC 34a_102516460346_100012276617 [0,0,0,0,0,0|3,0,1]=4 71 B13R0.336 C#CCCCCCCNCCSCC 2230a_100000106463_100012276617 [0,0,0,0,0,0|3,0,1]=4 72 B13R0.336 C#CCCCCCCOCCCC=C 34a_100000758997_100012276617 [0,0,0,0,0,0|2,0,2]=4 73 B13R0.336 C#CCCCCCCOCCCC=C 34a_100011217361_100000757094 [0,0,0,0,0,0|2,0,2]=4 74 B13R0.336 C#CCCCCCCOCCCC=C 7a_100000758997_100012276617 [0,0,0,0,0,0|2,0,2]=4 75 B13R0.336 C#CCCCCCCOCCCC=C 7a_100011217361_100000757094 [0,0,0,0,0,0|2,0,2]=4 76 B13R0.336 C#CCCCCCCOCCCC=O 7a_100011217361_200011292268 [0,0,0,0,0,0|1,0,2]=3 77 B13R0.336 C#CCCCCCCOCCCCBr 34a_100011216708_100012276617 [0,0,0,0,0,0|3,0,1]=4 78 B13R0.336 C#CCCCCCCOCCCCC 34a_100000210253_100012276617 [0,0,0,0,0,0|2,0,1]=3 79 B13R0.336 C#CCCCCCCOCCCCC 34a_100011217361_100000718602 [0,0,0,0,0,0|2,0,1]=3 80 B13R0.336 C#CCCCCCCOCCCCC 7a_100000210253_100012276617 [0,0,0,0,0,0|2,0,1]=3 81 B13R0.336 C#CCCCCCCOCCCCC 7a_100011217361_100000210326 [0,0,0,0,0,0|2,0,1]=3 82 B13R0.336 C#CCCCCCCOCCCCCl 34a_100000210776_100012276617 [0,0,0,0,0,0|3,0,1]=4 83 B13R0.336 C#CCCCCCCOCCCCCl 7a_100000210776_100012276617 [0,0,0,0,0,0|3,0,1]=4 84 B13R0.336 C#CCCCCCCOCCCCF 34a_100011217361_100000729493 [0,0,0,0,0,0|3,0,1]=4 85 B13R0.336 C#CCCCCCCOCCCCF 34a_100011995726_100012276617 [0,0,0,0,0,0|3,0,1]=4 86 B13R0.336 C#CCCCCCCOCCCCF 7a_100011217361_100000729493 [0,0,0,0,0,0|3,0,1]=4 87 B13R0.336 C#CCCCCCCOCCCCF 7a_100011995726_100012276617 [0,0,0,0,0,0|3,0,1]=4 88 B13R0.336 C#CCCCCCCOCCCCI 34a_200012148704_100012276617 [0,0,0,0,0,0|3,0,1]=4 89 B13R0.336 C#CCCCCCCOCCCCN 34a_100000750430_100012276617 [0,0,0,0,0,0|3,0,1]=4 90 B13R0.336 C#CCCCCCCOCCCCO 34a_100011217361_100011216708 [0,0,0,0,0,0|3,0,1]=4 91 B13R0.336 C#CCCCCCCOCCCCO 7a_100011217361_100000210776 [0,0,0,0,0,0|3,0,1]=4 92 B13R0.336 C#CCCCCCCOCCCNC 34a_100000213112_100012276617 [0,0,0,0,0,0|3,0,1]=4 93 B13R0.336 C#CCCCCCCOCCCOC 34a_100000740835_100012276617 [0,0,0,0,0,0|3,0,1]=4 94 B13R0.336 C#CCCCCCCOCCCOC 34a_100011217361_100000740836 [0,0,0,0,0,0|3,0,1]=4 95 B13R0.336 C#CCCCCCCOCCCOC 7a_100011217361_100000740836 [0,0,0,0,0,0|3,0,1]=4 96 B13R0.336 C#CCCCCCCOCCCSC 34a_100000690336_100012276617 [0,0,0,0,0,0|3,0,1]=4 97 B13R0.336 C#CCCCCCCOCCCSC 7a_100000690336_100012276617 [0,0,0,0,0,0|3,0,1]=4 98 B13R0.336 C#CCCCCCCOCCOCC 34a_100000210136_100012276617 [0,0,0,0,0,0|3,0,1]=4 99 B13R0.336 C#CCCCCCCOCCOCC 34a_100011217361_100000210147 [0,0,0,0,0,0|3,0,1]=4 100 B13R0.336 C#CCCCCCCOCCOCC 7a_100000210136_100012276617 [0,0,0,0,0,0|3,0,1]=4 101 B13R0.336 C#CCCCCCCOCCOCC 7a_100011217361_100011215890 [0,0,0,0,0,0|3,0,1]=4 102 B13R0.336 C#CCCCCCCOCCSCC 34a_100000212035_100012276617 [0,0,0,0,0,0|3,0,1]=4 103 B13R0.336 C#CCCCCCCOCCSCC 34a_100011217361_100000757381 [0,0,0,0,0,0|3,0,1]=4 104 B13R0.336 C#CCCCCCCOCCSCC 7a_100000212035_100012276617 [0,0,0,0,0,0|3,0,1]=4 105 B13R0.336 C#CCCCCCCOCCSCC 7a_100011217361_100000757381 [0,0,0,0,0,0|3,0,1]=4 106 B13R0.336 C#CCCCCCCSCCCC=C 62a_100011713584_100012276617 [0,0,0,0,0,0|2,0,2]=4 107 B13R0.336 C#CCCCCCCSCCCC=C 62a_100012276617_100000757094 [0,0,0,0,0,0|2,0,2]=4 108 B13R0.336 C#CCCCCCCSCCCC=O 62a_100012276617_200011292268 [0,0,0,0,0,0|1,0,2]=3 109 B13R0.336 C#CCCCCCCSCCCC=O 62a_200011292268_100012276617 [0,0,0,0,0,0|1,0,2]=3 110 B13R0.336 C#CCCCCCCSCCCCC 62a_100000210326_100012276617 [0,0,0,0,0,0|2,0,1]=3 111 B13R0.336 C#CCCCCCCSCCCCC 62a_100012276617_100000210326 [0,0,0,0,0,0|2,0,1]=3 112 B13R0.336 C#CCCCCCCSCCCCF 62a_100000729493_100012276617 [0,0,0,0,0,0|3,0,1]=4 113 B13R0.336 C#CCCCCCCSCCCCF 62a_100012276617_100000729493 [0,0,0,0,0,0|3,0,1]=4 114 B13R0.336 C#CCCCCCCSCCCCO 62a_100000210776_100012276617 [0,0,0,0,0,0|3,0,1]=4 115 B13R0.336 C#CCCCCCCSCCCCO 62a_100012276617_100000210776 [0,0,0,0,0,0|3,0,1]=4 116 B13R0.336 C#CCCCCCCSCCCOC 62a_100000709357_100012276617 [0,0,0,0,0,0|3,0,1]=4 117 B13R0.336 C#CCCCCCCSCCCOC 62a_100012276617_100000709357 [0,0,0,0,0,0|3,0,1]=4 118 B13R0.336 C#CCCCCCCSCCOCC 62a_100000210147_100012276617 [0,0,0,0,0,0|3,0,1]=4 119 B13R0.336 C#CCCCCCCSCCOCC 62a_100012276617_100011215890 [0,0,0,0,0,0|3,0,1]=4 120 B13R0.336 C#CCCCCCCSCCSCC 62a_100000757381_100012276617 [0,0,0,0,0,0|3,0,1]=4 121 B13R0.336 C#CCCCCCCSCCSCC 62a_100012276617_100000757381 [0,0,0,0,0,0|3,0,1]=4 122 B13R0.336 C#CCCCCCNCCCCC=C 2230a_100000703577_100012094781 [0,0,0,0,0,0|2,0,2]=4 123 B13R0.336 C#CCCCCCNCCCCC=C 34a_100000703577_100012094781 [0,0,0,0,0,0|2,0,2]=4 124 B13R0.336 C#CCCCCCNCCCCCC 2230a_100000210581_100012094781 [0,0,0,0,0,0|2,0,1]=3 125 B13R0.336 C#CCCCCCNCCCCCO 2230a_100000762737_100012094781 [0,0,0,0,0,0|3,0,1]=4 126 B13R0.336 C#CCCCCCNCCCCCO 34a_100000762737_100012094781 [0,0,0,0,0,0|3,0,1]=4 127 B13R0.336 C#CCCCCCNCCCOCC 2230a_100000210961_100012094781 [0,0,0,0,0,0|3,0,1]=4 128 B13R0.336 C#CCCCCCNCCCOCC 34a_100000210961_100012094781 [0,0,0,0,0,0|3,0,1]=4 129 B13R0.336 C#CCCCCCNCCOCCC 2230a_100161115042_100012094781 [0,0,0,0,0,0|3,0,1]=4 130 B13R0.336 C#CCCCCCNCCOCCC 34a_100161115042_100012094781 [0,0,0,0,0,0|3,0,1]=4 131 B13R0.336 C#CCCCCCNCCSCCC 2230a_100020603323_100012094781 [0,0,0,0,0,0|3,0,1]=4 132 B13R0.336 C#CCCCCCOCCCCC=C 34a_100000766645_100012094781 [0,0,0,0,0,0|2,0,2]=4 133 B13R0.336 C#CCCCCCOCCCCC=C 34a_100000766912_100011215482 [0,0,0,0,0,0|2,0,2]=4 134 B13R0.336 C#CCCCCCOCCCCC=C 7a_100000766645_100012094781 [0,0,0,0,0,0|2,0,2]=4 135 B13R0.336 C#CCCCCCOCCCCC=C 7a_100000766912_100011215482 [0,0,0,0,0,0|2,0,2]=4 136 B13R0.336 C#CCCCCCOCCCCC=O 7a_100000766912_100000139335 [0,0,0,0,0,0|1,0,2]=3 137 B13R0.336 C#CCCCCCOCCCCCBr 34a_100000746331_100012094781 [0,0,0,0,0,0|3,0,1]=4 138 B13R0.336 C#CCCCCCOCCCCCBr 7a_100000746331_100012094781 [0,0,0,0,0,0|3,0,1]=4 139 B13R0.336 C#CCCCCCOCCCCCC 34a_100000210259_100012094781 [0,0,0,0,0,0|2,0,1]=3 140 B13R0.336 C#CCCCCCOCCCCCC 34a_100000766912_100000210314 [0,0,0,0,0,0|2,0,1]=3 141 B13R0.336 C#CCCCCCOCCCCCC 7a_100000210259_100012094781 [0,0,0,0,0,0|2,0,1]=3 142 B13R0.336 C#CCCCCCOCCCCCC 7a_100000766912_100000210314 [0,0,0,0,0,0|2,0,1]=3 143 B13R0.336 C#CCCCCCOCCCCCCl 34a_100000746330_100012094781 [0,0,0,0,0,0|3,0,1]=4 144 B13R0.336 C#CCCCCCOCCCCCCl 7a_100000746330_100012094781 [0,0,0,0,0,0|3,0,1]=4 145 B13R0.336 C#CCCCCCOCCCCCF 34a_100000766912_100000729378 [0,0,0,0,0,0|3,0,1]=4 146 B13R0.336 C#CCCCCCOCCCCCF 7a_100000766912_100000729378 [0,0,0,0,0,0|3,0,1]=4 147 B13R0.336 C#CCCCCCOCCCCCI 34a_200012148887_100012094781 [0,0,0,0,0,0|3,0,1]=4 148 B13R0.336 C#CCCCCCOCCCCCI 7a_200012148887_100012094781 [0,0,0,0,0,0|3,0,1]=4 149 B13R0.336 C#CCCCCCOCCCCCN 34a_100000762737_100012094781 [0,0,0,0,0,0|3,0,1]=4 150 B13R0.336 C#CCCCCCOCCCCCO 34a_100000766912_100000746330 [0,0,0,0,0,0|3,0,1]=4 151 B13R0.336 C#CCCCCCOCCCCCO 7a_100000766912_100000746330 [0,0,0,0,0,0|3,0,1]=4 152 B13R0.336 C#CCCCCCOCCCCOC 34a_100000740925_100012094781 [0,0,0,0,0,0|3,0,1]=4 153 B13R0.336 C#CCCCCCOCCCCOC 34a_100000766912_100000755781 [0,0,0,0,0,0|3,0,1]=4 154 B13R0.336 C#CCCCCCOCCCCOC 7a_100000766912_100000730899 [0,0,0,0,0,0|3,0,1]=4 155 B13R0.336 C#CCCCCCOCCCCSC 34a_100011217163_100012094781 [0,0,0,0,0,0|3,0,1]=4 156 B13R0.336 C#CCCCCCOCCCCSC 7a_100011217163_100012094781 [0,0,0,0,0,0|3,0,1]=4 157 B13R0.336 C#CCCCCCOCCCOCC 34a_100000757476_100012094781 [0,0,0,0,0,0|3,0,1]=4 158 B13R0.336 C#CCCCCCOCCCOCC 34a_100000766912_100012232248 [0,0,0,0,0,0|3,0,1]=4 159 B13R0.336 C#CCCCCCOCCCOCC 7a_100000757476_100012094781 [0,0,0,0,0,0|3,0,1]=4 160 B13R0.336 C#CCCCCCOCCCOCC 7a_100000766912_100012232248 [0,0,0,0,0,0|3,0,1]=4 161 B13R0.336 C#CCCCCCOCCCSCC 34a_100011216438_100012094781 [0,0,0,0,0,0|3,0,1]=4 162 B13R0.336 C#CCCCCCOCCCSCC 7a_100011216438_100012094781 [0,0,0,0,0,0|3,0,1]=4 163 B13R0.336 C#CCCCCCOCCOCCC 34a_100000752267_100012094781 [0,0,0,0,0,0|3,0,1]=4 164 B13R0.336 C#CCCCCCOCCOCCC 34a_100000766912_100011215938 [0,0,0,0,0,0|3,0,1]=4 165 B13R0.336 C#CCCCCCOCCOCCC 7a_100000752267_100012094781 [0,0,0,0,0,0|3,0,1]=4 166 B13R0.336 C#CCCCCCOCCOCCC 7a_100000766912_100011215938 [0,0,0,0,0,0|3,0,1]=4 167 B13R0.336 C#CCCCCCOCCSCCC 34a_200000230433_100012094781 [0,0,0,0,0,0|3,0,1]=4 168 B13R0.336 C#CCCCCCOCCSCCC 7a_200000230433_100012094781 [0,0,0,0,0,0|3,0,1]=4 169 B13R0.336 C#CCCCCCOCOCCCC 34a_100000766912_100011995733 [0,0,0,0,0,0|3,0,1]=4 170 B13R0.336 C#CCCCCCSCCCCC=C 62a_100011215482_100012094781 [0,0,0,0,0,0|2,0,2]=4 171 B13R0.336 C#CCCCCCSCCCCC=C 62a_100012094781_100011215482 [0,0,0,0,0,0|2,0,2]=4 172 B13R0.336 C#CCCCCCSCCCCC=O 62a_100000139335_100012094781 [0,0,0,0,0,0|1,0,2]=3 173 B13R0.336 C#CCCCCCSCCCCC=O 62a_100012094781_100000139335 [0,0,0,0,0,0|1,0,2]=3 174 B13R0.336 C#CCCCCCSCCCCCC 62a_100000210314_100012094781 [0,0,0,0,0,0|2,0,1]=3 175 B13R0.336 C#CCCCCCSCCCCCC 62a_100012094781_100000210757 [0,0,0,0,0,0|2,0,1]=3 176 B13R0.336 C#CCCCCCSCCCCCF 62a_100000729378_100012094781 [0,0,0,0,0,0|3,0,1]=4 177 B13R0.336 C#CCCCCCSCCCCCF 62a_100012094781_100000729378 [0,0,0,0,0,0|3,0,1]=4 178 B13R0.336 C#CCCCCCSCCCCCO 62a_100000746330_100012094781 [0,0,0,0,0,0|3,0,1]=4 179 B13R0.336 C#CCCCCCSCCCCCO 62a_100012094781_100000746330 [0,0,0,0,0,0|3,0,1]=4 180 B13R0.336 C#CCCCCCSCCCCOC 62a_100000730899_100012094781 [0,0,0,0,0,0|3,0,1]=4 181 B13R0.336 C#CCCCCCSCCCCOC 62a_100012094781_100000730899 [0,0,0,0,0,0|3,0,1]=4 182 B13R0.336 C#CCCCCCSCCCOCC 62a_100012094781_100012232248 [0,0,0,0,0,0|3,0,1]=4 183 B13R0.336 C#CCCCCCSCCCOCC 62a_100012232248_100012094781 [0,0,0,0,0,0|3,0,1]=4 184 B13R0.336 C#CCCCCCSCCOCCC 62a_100011215938_100012094781 [0,0,0,0,0,0|3,0,1]=4 185 B13R0.336 C#CCCCCCSCCOCCC 62a_100012094781_100011215938 [0,0,0,0,0,0|3,0,1]=4 186 B13R0.336 C#CCCCCCSCOCCCC 62a_100011995733_100012094781 [0,0,0,0,0,0|3,0,1]=4 187 B13R0.336 C#CCCCCCSCOCCCC 62a_100012094781_100011995733 [0,0,0,0,0,0|3,0,1]=4 188 B13R0.336 C#CCCCCNCCCCCC=C 2230a_100000706060_100000700193 [0,0,0,0,0,0|2,0,2]=4 189 B13R0.336 C#CCCCCNCCCCCC=C 34a_100000706060_100000700193 [0,0,0,0,0,0|2,0,2]=4 190 B13R0.336 C#CCCCCNCCCCCC=O 2230a_100000706060_100000139337 [0,0,0,0,0,0|1,0,2]=3 191 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000229938_100010269958 [0,0,0,0,0,0|2,0,1]=3 192 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000706060_100000210681 [0,0,0,0,0,0|2,0,1]=3 193 B13R0.336 C#CCCCCNCCCCCCC 34a_100000706060_100000210614 [0,0,0,0,0,0|2,0,1]=3 194 B13R0.336 C#CCCCCNCCCCCCF 2230a_100000706060_100015922095 [0,0,0,0,0,0|3,0,1]=4 195 B13R0.336 C#CCCCCNCCCCCCF 34a_100000706060_100015922095 [0,0,0,0,0,0|3,0,1]=4 196 B13R0.336 C#CCCCCNCCCCCCO 2230a_100000686447_100010269958 [0,0,0,0,0,0|3,0,1]=4 197 B13R0.336 C#CCCCCNCCCCCCO 2230a_100000706060_100000766143 [0,0,0,0,0,0|3,0,1]=4 198 B13R0.336 C#CCCCCNCCCCCCO 34a_100000686447_100010269958 [0,0,0,0,0,0|3,0,1]=4 199 B13R0.336 C#CCCCCNCCCCCCO 34a_100000706060_100000766143 [0,0,0,0,0,0|3,0,1]=4 200 B13R0.336 C#CCCCCNCCCCCOC 2230a_100000747528_100010269958 [0,0,0,0,0,0|3,0,1]=4 201 B13R0.336 C#CCCCCNCCCCCOC 34a_100000747528_100010269958 [0,0,0,0,0,0|3,0,1]=4 202 B13R0.336 C#CCCCCNCCCOCCC 2230a_100011217757_100010269958 [0,0,0,0,0,0|3,0,1]=4 203 B13R0.336 C#CCCCCNCCCOCCC 34a_100011217757_100010269958 [0,0,0,0,0,0|3,0,1]=4 204 B13R0.336 C#CCCCCNCCOCCCC 2230a_100000706060_100000743108 [0,0,0,0,0,0|3,0,1]=4 205 B13R0.336 C#CCCCCNCCOCCCC 34a_100000706060_100000743108 [0,0,0,0,0,0|3,0,1]=4 206 B13R0.336 C#CCCCCNCCSCCCC 2230a_100025743550_100010269958 [0,0,0,0,0,0|3,0,1]=4 207 B13R0.336 C#CCCCCOCCCCCC=C 34a_100000766709_100000700193 [0,0,0,0,0,0|2,0,2]=4 208 B13R0.336 C#CCCCCOCCCCCC=C 34a_100011216702_100010269958 [0,0,0,0,0,0|2,0,2]=4 209 B13R0.336 C#CCCCCOCCCCCC=C 7a_100000766709_100000700193 [0,0,0,0,0,0|2,0,2]=4 210 B13R0.336 C#CCCCCOCCCCCC=C 7a_100011216702_100010269958 [0,0,0,0,0,0|2,0,2]=4 211 B13R0.336 C#CCCCCOCCCCCC=O 7a_100000766709_100000139337 [0,0,0,0,0,0|1,0,2]=3 212 B13R0.336 C#CCCCCOCCCCCCBr 34a_100011215345_100010269958 [0,0,0,0,0,0|3,0,1]=4 213 B13R0.336 C#CCCCCOCCCCCCBr 7a_100011215345_100010269958 [0,0,0,0,0,0|3,0,1]=4 214 B13R0.336 C#CCCCCOCCCCCCC 34a_100000210272_100010269958 [0,0,0,0,0,0|2,0,1]=3 215 B13R0.336 C#CCCCCOCCCCCCC 34a_100000766709_100000210614 [0,0,0,0,0,0|2,0,1]=3 216 B13R0.336 C#CCCCCOCCCCCCC 7a_100000210272_100010269958 [0,0,0,0,0,0|2,0,1]=3 217 B13R0.336 C#CCCCCOCCCCCCC 7a_100000766709_100000210614 [0,0,0,0,0,0|2,0,1]=3 218 B13R0.336 C#CCCCCOCCCCCCCl 34a_100000766143_100010269958 [0,0,0,0,0,0|3,0,1]=4 219 B13R0.336 C#CCCCCOCCCCCCCl 7a_100000766143_100010269958 [0,0,0,0,0,0|3,0,1]=4 220 B13R0.336 C#CCCCCOCCCCCCF 34a_100000732779_100010269958 [0,0,0,0,0,0|3,0,1]=4 221 B13R0.336 C#CCCCCOCCCCCCF 34a_100000766709_100015922095 [0,0,0,0,0,0|3,0,1]=4 222 B13R0.336 C#CCCCCOCCCCCCF 7a_100000732779_100010269958 [0,0,0,0,0,0|3,0,1]=4 223 B13R0.336 C#CCCCCOCCCCCCF 7a_100000766709_100015922095 [0,0,0,0,0,0|3,0,1]=4 224 B13R0.336 C#CCCCCOCCCCCCN 34a_100000686447_100010269958 [0,0,0,0,0,0|3,0,1]=4 225 B13R0.336 C#CCCCCOCCCCCCO 34a_100000766709_100000766143 [0,0,0,0,0,0|3,0,1]=4 226 B13R0.336 C#CCCCCOCCCCCCO 7a_100000766709_100000766143 [0,0,0,0,0,0|3,0,1]=4 227 B13R0.336 C#CCCCCOCCCCCNC 34a_100000722520_100010269958 [0,0,0,0,0,0|3,0,1]=4 228 B13R0.336 C#CCCCCOCCOCCCC 34a_100000210238_100010269958 [0,0,0,0,0,0|3,0,1]=4 229 B13R0.336 C#CCCCCOCCOCCCC 34a_100000766709_100000743108 [0,0,0,0,0,0|3,0,1]=4 230 B13R0.336 C#CCCCCOCCOCCCC 7a_100000210238_100010269958 [0,0,0,0,0,0|3,0,1]=4 231 B13R0.336 C#CCCCCOCCOCCCC 7a_100000766709_100000743108 [0,0,0,0,0,0|3,0,1]=4 232 B13R0.336 C#CCCCCOCCSCCCC 34a_200000230436_100010269958 [0,0,0,0,0,0|3,0,1]=4 233 B13R0.336 C#CCCCCOCCSCCCC 7a_200000230436_100010269958 [0,0,0,0,0,0|3,0,1]=4 234 B13R0.336 C#CCCCCSCCCCCC=C 62a_100000700193_100010269958 [0,0,0,0,0,0|2,0,2]=4 235 B13R0.336 C#CCCCCSCCCCCC=C 62a_100010269958_100000700193 [0,0,0,0,0,0|2,0,2]=4 236 B13R0.336 C#CCCCCSCCCCCC=O 62a_100000139337_100010269958 [0,0,0,0,0,0|1,0,2]=3 237 B13R0.336 C#CCCCCSCCCCCC=O 62a_100010269958_100000139337 [0,0,0,0,0,0|1,0,2]=3 238 B13R0.336 C#CCCCCSCCCCCCC 62a_100000210614_100010269958 [0,0,0,0,0,0|2,0,1]=3 239 B13R0.336 C#CCCCCSCCCCCCC 62a_100010269958_100000210316 [0,0,0,0,0,0|2,0,1]=3 240 B13R0.336 C#CCCCCSCCCCCCF 62a_100010269958_100015922095 [0,0,0,0,0,0|3,0,1]=4 241 B13R0.336 C#CCCCCSCCCCCCF 62a_100015922095_100010269958 [0,0,0,0,0,0|3,0,1]=4 242 B13R0.336 C#CCCCCSCCCCCCO 62a_100000766143_100010269958 [0,0,0,0,0,0|3,0,1]=4 243 B13R0.336 C#CCCCCSCCCCCCO 62a_100010269958_100000766143 [0,0,0,0,0,0|3,0,1]=4 244 B13R0.336 C#CCCCCSCCOCCCC 62a_100000743108_100010269958 [0,0,0,0,0,0|3,0,1]=4 245 B13R0.336 C#CCCCCSCCOCCCC 62a_100010269958_100000743108 [0,0,0,0,0,0|3,0,1]=4 246 B13R0.336 C#CCCCNCCCCCCC=C 34a_100000718082_100011215473 [0,0,0,0,0,0|2,0,2]=4 247 B13R0.336 C#CCCCNCCCCCCCC 2230a_100000229939_100000731252 [0,0,0,0,0,0|2,0,1]=3 248 B13R0.336 C#CCCCNCCCCCCCC 34a_100000229939_100000695029 [0,0,0,0,0,0|2,0,1]=3 249 B13R0.336 C#CCCCNCCCCCCCC 34a_100000718082_100000210759 [0,0,0,0,0,0|2,0,1]=3 250 B13R0.336 C#CCCCNCCCCCCCO 2230a_100011996573_100000731252 [0,0,0,0,0,0|3,0,1]=4 251 B13R0.336 C#CCCCNCCCCCCCO 34a_100000718082_100000760002 [0,0,0,0,0,0|3,0,1]=4 252 B13R0.336 C#CCCCNCCCCCCCO 34a_100011996573_100000695029 [0,0,0,0,0,0|3,0,1]=4 253 B13R0.336 C#CCCCNCCCCCCOC 34a_100000718082_100011998445 [0,0,0,0,0,0|3,0,1]=4 254 B13R0.336 C#CCCCNCCCOCCCC 2230a_200000211371_100000731252 [0,0,0,0,0,0|3,0,1]=4 255 B13R0.336 C#CCCCNCCCOCCCC 34a_200000211371_100000695029 [0,0,0,0,0,0|3,0,1]=4 256 B13R0.336 C#CCCCOCCCCCCC=C 34a_100000215630_100011215473 [0,0,0,0,0,0|2,0,2]=4 257 B13R0.336 C#CCCCOCCCCCCC=C 34a_200011216477_100000695029 [0,0,0,0,0,0|2,0,2]=4 258 B13R0.336 C#CCCCOCCCCCCC=C 7a_100000215630_100011215473 [0,0,0,0,0,0|2,0,2]=4 259 B13R0.336 C#CCCCOCCCCCCC=C 7a_200011216477_100011215417 [0,0,0,0,0,0|2,0,2]=4 260 B13R0.336 C#CCCCOCCCCCCCBr 34a_100000760002_100000695029 [0,0,0,0,0,0|3,0,1]=4 261 B13R0.336 C#CCCCOCCCCCCCBr 7a_100000760002_100011215417 [0,0,0,0,0,0|3,0,1]=4 262 B13R0.336 C#CCCCOCCCCCCCC 34a_100000210232_100000695029 [0,0,0,0,0,0|2,0,1]=3 263 B13R0.336 C#CCCCOCCCCCCCC 34a_100000215630_100000210759 [0,0,0,0,0,0|2,0,1]=3 264 B13R0.336 C#CCCCOCCCCCCCC 7a_100000210232_100011215417 [0,0,0,0,0,0|2,0,1]=3 265 B13R0.336 C#CCCCOCCCCCCCC 7a_100000215630_100000210759 [0,0,0,0,0,0|2,0,1]=3 266 B13R0.336 C#CCCCOCCCCCCCN 34a_100011996573_100000695029 [0,0,0,0,0,0|3,0,1]=4 267 B13R0.336 C#CCCCOCCCCCCCO 34a_100000215630_100000760002 [0,0,0,0,0,0|3,0,1]=4 268 B13R0.336 C#CCCCOCCCCCCCO 7a_100000215630_100000760002 [0,0,0,0,0,0|3,0,1]=4 269 B13R0.336 C#CCCCOCCCCCCOC 34a_100000215630_100011998445 [0,0,0,0,0,0|3,0,1]=4 270 B13R0.336 C#CCCCOCCCCCCOC 34a_200012092642_100000695029 [0,0,0,0,0,0|3,0,1]=4 271 B13R0.336 C#CCCCOCCCCCCOC 7a_100000215630_100011998445 [0,0,0,0,0,0|3,0,1]=4 272 B13R0.336 C#CCCCOCCCCCCOC 7a_200012092642_100011215417 [0,0,0,0,0,0|3,0,1]=4 273 B13R0.336 C#CCCCOCCCOCCCC 34a_200011215613_100000695029 [0,0,0,0,0,0|3,0,1]=4 274 B13R0.336 C#CCCCOCCCOCCCC 7a_200011215613_100011215417 [0,0,0,0,0,0|3,0,1]=4 275 B13R0.336 C#CCCCOCCNCCCCC 34a_100000224656_100000695029 [0,0,0,0,0,0|3,0,1]=4 276 B13R0.336 C#CCCCOCCOCCCCC 34a_100011215259_100000695029 [0,0,0,0,0,0|3,0,1]=4 277 B13R0.336 C#CCCCOCCOCCCCC 7a_100011215259_100011215417 [0,0,0,0,0,0|3,0,1]=4 278 B13R0.336 C#CCCCSCCCCCCC=C 62a_100011215417_100011215473 [0,0,0,0,0,0|2,0,2]=4 279 B13R0.336 C#CCCCSCCCCCCC=C 62a_100011215473_100011215417 [0,0,0,0,0,0|2,0,2]=4 280 B13R0.336 C#CCCCSCCCCCCCC 62a_100000210759_100011215417 [0,0,0,0,0,0|2,0,1]=3 281 B13R0.336 C#CCCCSCCCCCCCC 62a_100011215417_100000210317 [0,0,0,0,0,0|2,0,1]=3 282 B13R0.336 C#CCCCSCCCCCCCO 62a_100000760002_100011215417 [0,0,0,0,0,0|3,0,1]=4 283 B13R0.336 C#CCCCSCCCCCCCO 62a_100011215417_100000760002 [0,0,0,0,0,0|3,0,1]=4 284 B13R0.336 C#CCCCSCCCCCCOC 62a_100011215417_100011998445 [0,0,0,0,0,0|3,0,1]=4 285 B13R0.336 C#CCCCSCCCCCCOC 62a_100011998445_100011215417 [0,0,0,0,0,0|3,0,1]=4 286 B13R0.336 C#CCCNCCCCCCCC=C 34a_100000755551_100012355270 [0,0,0,0,0,0|2,0,2]=4 287 B13R0.336 C#CCCNCCCCCCCCC 2230a_100000212291_100000688953 [0,0,0,0,0,0|2,0,1]=3 288 B13R0.336 C#CCCNCCCCCCCCC 34a_100000212291_100000688953 [0,0,0,0,0,0|2,0,1]=3 289 B13R0.336 C#CCCNCCCCCCCCC 34a_100000755551_100011214924 [0,0,0,0,0,0|2,0,1]=3 290 B13R0.336 C#CCCNCCCCCCCCO 2230a_102515433106_100000688953 [0,0,0,0,0,0|3,0,1]=4 291 B13R0.336 C#CCCNCCCCCCCCO 34a_100000755551_100000033203 [0,0,0,0,0,0|3,0,1]=4 292 B13R0.336 C#CCCNCCCCCCCCO 34a_102515433106_100000688953 [0,0,0,0,0,0|3,0,1]=4 293 B13R0.336 C#CCCOCCCCCCCC=C 34a_100000730831_100000688953 [0,0,0,0,0,0|2,0,2]=4 294 B13R0.336 C#CCCOCCCCCCCC=C 34a_100011215631_100012355270 [0,0,0,0,0,0|2,0,2]=4 295 B13R0.336 C#CCCOCCCCCCCC=C 7a_100000730831_100000688953 [0,0,0,0,0,0|2,0,2]=4 296 B13R0.336 C#CCCOCCCCCCCCBr 34a_100009813846_100000688953 [0,0,0,0,0,0|3,0,1]=4 297 B13R0.336 C#CCCOCCCCCCCCBr 7a_100009813846_100000688953 [0,0,0,0,0,0|3,0,1]=4 298 B13R0.336 C#CCCOCCCCCCCCC 34a_100000210712_100000688953 [0,0,0,0,0,0|2,0,1]=3 299 B13R0.336 C#CCCOCCCCCCCCC 34a_100011215631_100011214924 [0,0,0,0,0,0|2,0,1]=3 300 B13R0.336 C#CCCOCCCCCCCCC 7a_100000210712_100000688953 [0,0,0,0,0,0|2,0,1]=3 301 B13R0.336 C#CCCOCCCCCCCCCl 34a_100000033203_100000688953 [0,0,0,0,0,0|3,0,1]=4 302 B13R0.336 C#CCCOCCCCCCCCCl 7a_100000033203_100000688953 [0,0,0,0,0,0|3,0,1]=4 303 B13R0.336 C#CCCOCCCCCCCCN 34a_102515433106_100000688953 [0,0,0,0,0,0|3,0,1]=4 304 B13R0.336 C#CCCOCCCCCCCCO 34a_100011215631_100000033203 [0,0,0,0,0,0|3,0,1]=4 305 B13R0.336 C#CCCOCCCCNCCCC 34a_200011216965_100000688953 [0,0,0,0,0,0|3,0,1]=4 306 B13R0.336 C#CCCOCCCCOCCCC 34a_200000760531_100000688953 [0,0,0,0,0,0|3,0,1]=4 307 B13R0.336 C#CCCOCCCCOCCCC 7a_200000760531_100000688953 [0,0,0,0,0,0|3,0,1]=4 308 B13R0.336 C#CCCOCCOCCCCCC 34a_100000691444_100000688953 [0,0,0,0,0,0|3,0,1]=4 309 B13R0.336 C#CCCOCCOCCCCCC 7a_100000691444_100000688953 [0,0,0,0,0,0|3,0,1]=4 310 B13R0.336 C#CCCSCCCCCCCC=C 62a_100000688953_100012355270 [0,0,0,0,0,0|2,0,2]=4 311 B13R0.336 C#CCCSCCCCCCCC=C 62a_100012355270_100000688953 [0,0,0,0,0,0|2,0,2]=4 312 B13R0.336 C#CCCSCCCCCCCCC 62a_100000688953_100000210670 [0,0,0,0,0,0|2,0,1]=3 313 B13R0.336 C#CCCSCCCCCCCCO 62a_100000033203_100000688953 [0,0,0,0,0,0|3,0,1]=4 314 B13R0.336 C#CCCSCCCCCCCCO 62a_100000688953_100000033203 [0,0,0,0,0,0|3,0,1]=4 315 B13R0.336 C#CCNCCCCCCCCC=C 34a_100000212058_100011933949 [0,0,0,0,0,0|2,0,2]=4 316 B13R0.336 C#CCNCCCCCCCCCC 2230a_100000684558_100000038162 [0,0,0,0,0,0|2,0,1]=3 317 B13R0.336 C#CCNCCCCCCCCCC 34a_100000212058_100000210320 [0,0,0,0,0,0|2,0,1]=3 318 B13R0.336 C#CCNCCCCCCCCCC 34a_100000684558_100000184674 [0,0,0,0,0,0|2,0,1]=3 319 B13R0.336 C#CCNCCCCCCCCCO 2230a_100000078944_100000038162 [0,0,0,0,0,0|3,0,1]=4 320 B13R0.336 C#CCNCCCCCCCCCO 34a_100000078944_100000184674 [0,0,0,0,0,0|3,0,1]=4 321 B13R0.336 C#CCNCCCCCCCCCO 34a_100000212058_100009813782 [0,0,0,0,0,0|3,0,1]=4 322 B13R0.336 C#CCOCCCCCCCCC=C 34a_100000210247_100011933949 [0,0,0,0,0,0|2,0,2]=4 323 B13R0.336 C#CCOCCCCCCCCC=C 34a_100011215194_100000184674 [0,0,0,0,0,0|2,0,2]=4 324 B13R0.336 C#CCOCCCCCCCCC=C 7a_100011215194_100000038162 [0,0,0,0,0,0|2,0,2]=4 325 B13R0.336 C#CCOCCCCCCCCCBr 34a_100009813782_100000184674 [0,0,0,0,0,0|3,0,1]=4 326 B13R0.336 C#CCOCCCCCCCCCBr 7a_100009813782_100000038162 [0,0,0,0,0,0|3,0,1]=4 327 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210247_100000210320 [0,0,0,0,0,0|2,0,1]=3 328 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210711_100000184674 [0,0,0,0,0,0|2,0,1]=3 329 B13R0.336 C#CCOCCCCCCCCCC 7a_100000210711_100000038162 [0,0,0,0,0,0|2,0,1]=3 330 B13R0.336 C#CCOCCCCCCCCCCl 34a_100009868337_100000184674 [0,0,0,0,0,0|3,0,1]=4 331 B13R0.336 C#CCOCCCCCCCCCCl 7a_100009868337_100000038162 [0,0,0,0,0,0|3,0,1]=4 332 B13R0.336 C#CCOCCCCCCCCCN 34a_100000078944_100000184674 [0,0,0,0,0,0|3,0,1]=4 333 B13R0.336 C#CCOCCCCCCCCCO 34a_100000210247_100009813782 [0,0,0,0,0,0|3,0,1]=4 334 B13R0.336 C#CCOCCCCCCOCC=O 34a_200011021349_200009817547 [0,0,0,0,0,0|2,0,2]=4 335 B13R0.336 C#CCOCCCCCCOCC=O 7a_200011021349_200015260668 [0,0,0,0,0,0|2,0,2]=4 336 B13R0.336 C#CCOCCCCCCOCCC 34a_200011021349_100000210303 [0,0,0,0,0,0|3,0,1]=4 337 B13R0.336 C#CCOCCCCCCOCCC 7a_200011021349_100000210303 [0,0,0,0,0,0|3,0,1]=4 338 B13R0.336 C#CCOCCNCCCCCC=O 2230a_100000700922_100000139337 [0,0,0,0,0,0|2,0,2]=4 339 B13R0.336 C#CCOCCNCCCCCCC 2230a_100000229938_100010402529 [0,0,0,0,0,0|3,0,1]=4 340 B13R0.336 C#CCOCCNCCCCCCC 2230a_100000700922_100000210681 [0,0,0,0,0,0|3,0,1]=4 341 B13R0.336 C#CCOCCNCCCCCCC 34a_100000700922_100000210614 [0,0,0,0,0,0|3,0,1]=4 342 B13R0.336 C#CCOCCOCCCCCC=O 7a_100000054580_100000139337 [0,0,0,0,0,0|2,0,2]=4 343 B13R0.336 C#CCOCCOCCCCCCC 34a_100000054580_100000210614 [0,0,0,0,0,0|3,0,1]=4 344 B13R0.336 C#CCOCCOCCCCCCC 34a_100000210272_100010402529 [0,0,0,0,0,0|3,0,1]=4 345 B13R0.336 C#CCOCCOCCCCCCC 7a_100000054580_100000210614 [0,0,0,0,0,0|3,0,1]=4 346 B13R0.336 C#CCOCCOCCCCCCC 7a_100000210272_100010402529 [0,0,0,0,0,0|3,0,1]=4 347 B13R0.336 C#CCOCCSCCCCCC=O 62a_100000139337_100010402529 [0,0,0,0,0,0|2,0,2]=4 348 B13R0.336 C#CCOCCSCCCCCC=O 62a_100010402529_100000139337 [0,0,0,0,0,0|2,0,2]=4 349 B13R0.336 C#CCOCCSCCCCCCC 62a_100000210614_100010402529 [0,0,0,0,0,0|3,0,1]=4 350 B13R0.336 C#CCOCCSCCCCCCC 62a_100010402529_100000210316 [0,0,0,0,0,0|3,0,1]=4 351 B13R0.336 C#CCSCCCCCCCCC=C 62a_100000038162_100011933949 [0,0,0,0,0,0|2,0,2]=4 352 B13R0.336 C#CCSCCCCCCCCCC 62a_100000038162_100000210320 [0,0,0,0,0,0|2,0,1]=3 353 B13R0.336 C#CCSCCCCCCCCCO 62a_100000038162_100009813782 [0,0,0,0,0,0|3,0,1]=4 354 B13R0.336 C/C=C/CCOCCCCCCCC 34a_100016278192_100000210759 [0,0,0,0,0,0|2,0,1]=3 355 B13R0.336 C/C=C/CCOCCCCCCCO 34a_100016278192_100000760002 [0,0,0,0,0,0|3,0,1]=4 356 B13R0.336 C/C=C/CCOCCCCCCOC 34a_100016278192_100011998445 [0,0,0,0,0,0|3,0,1]=4 357 B13R0.336 C/C=C/CNCCCCCCCCC 34a_100000212291_100102629194 [0,0,0,0,0,0|2,0,1]=3 358 B13R0.336 C/C=C/CNCCCCCCCCO 34a_102515433106_100102629194 [0,0,0,0,0,0|3,0,1]=4 359 B13R0.336 C/C=C/COCCCCCCCCBr 34a_100009813846_100102629194 [0,0,0,0,0,0|3,0,1]=4 360 B13R0.336 C/C=C/COCCCCCCCCBr 7a_100009813846_100102629194 [0,0,0,0,0,0|3,0,1]=4 361 B13R0.336 C/C=C/COCCCCCCCCC 34a_100000210712_100102629194 [0,0,0,0,0,0|2,0,1]=3 362 B13R0.336 C/C=C/COCCCCCCCCC 34a_100016270725_100011214924 [0,0,0,0,0,0|2,0,1]=3 363 B13R0.336 C/C=C/COCCCCCCCCC 7a_100000210712_100102629194 [0,0,0,0,0,0|2,0,1]=3 364 B13R0.336 C/C=C/COCCCCCCCCCl 34a_100000033203_100102629194 [0,0,0,0,0,0|3,0,1]=4 365 B13R0.336 C/C=C/COCCCCCCCCCl 7a_100000033203_100102629194 [0,0,0,0,0,0|3,0,1]=4 366 B13R0.336 C/C=C/COCCCCCCCCN 34a_102515433106_100102629194 [0,0,0,0,0,0|3,0,1]=4 367 B13R0.336 C/C=C/COCCCCCCCCO 34a_100016270725_100000033203 [0,0,0,0,0,0|3,0,1]=4 368 B13R0.336 C/C=C/COCCCCNCCCC 34a_200011216965_100102629194 [0,0,0,0,0,0|3,0,1]=4 369 B13R0.336 C/C=C/COCCCCOCCCC 34a_200000760531_100102629194 [0,0,0,0,0,0|3,0,1]=4 370 B13R0.336 C/C=C/COCCCCOCCCC 7a_200000760531_100102629194 [0,0,0,0,0,0|3,0,1]=4 371 B13R0.336 C/C=C/COCCOCCCCCC 34a_100000691444_100102629194 [0,0,0,0,0,0|3,0,1]=4 372 B13R0.336 C/C=C/COCCOCCCCCC 7a_100000691444_100102629194 [0,0,0,0,0,0|3,0,1]=4 373 B13R0.336 C/C=C/CSCCCCCCCCC 62a_100102629194_100000210670 [0,0,0,0,0,0|2,0,1]=3 374 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100000033203_100102629194 [0,0,0,0,0,0|3,0,1]=4 375 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100102629194_100000033203 [0,0,0,0,0,0|3,0,1]=4 376 B13R0.336 C=CCCC/C=C/COCCCCC 34a_200016268473_100000718602 [0,0,0,0,0,0|2,0,2]=4 377 B13R0.336 C=CCCC/C=C/COCCCCC 7a_200016268473_100000210326 [0,0,0,0,0,0|2,0,2]=4 378 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [0,0,0,0,0,0|2,0,0]=2 379 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [0,0,0,0,0,0|2,0,0]=2 380 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [0,0,0,0,0,0|2,0,0]=2 381 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [0,0,0,0,0,0|2,0,0]=2 382 B13R0.336 C=CCCCCCCCCCCSC 62a_100011093070_200000210301 [0,0,0,0,0,0|2,0,0]=2 383 B13R0.336 C=CCCCCCCCCCCSC 62a_200000210301_100011093070 [0,0,0,0,0,0|2,0,0]=2 384 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_100011093070_200025704644 [0,0,0,0,0,0|2,0,0]=2 385 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_200025704644_100011093070 [0,0,0,0,0,0|2,0,0]=2 386 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [0,0,0,0,0,0|2,0,0]=2 387 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [0,0,0,0,0,0|2,0,0]=2 388 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [0,0,0,0,0,0|2,0,0]=2 389 B13R0.336 C=CCCCCCCCCCNCF 34a_100000081888_100015361967 [0,0,0,0,0,0|3,0,0]=3 390 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [0,0,0,0,0,0|2,0,0]=2 391 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [0,0,0,0,0,0|2,0,0]=2 392 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [0,0,0,0,0,0|2,0,0]=2 393 B13R0.336 C=CCCCCCCCCCOCF 34a_100000038209_100015361967 [0,0,0,0,0,0|3,0,0]=3 394 B13R0.336 C=CCCCCCCCCCOCF 7a_100000038209_100015361967 [0,0,0,0,0,0|3,0,0]=3 395 B13R0.336 C=CCCCCCCCCCSCC 62a_100000210202_100009814027 [0,0,0,0,0,0|2,0,0]=2 396 B13R0.336 C=CCCCCCCCCCSCC 62a_100009814027_100000210202 [0,0,0,0,0,0|2,0,0]=2 397 B13R0.336 C=CCCCCCCCCCSCF 62a_100009814027_100015361967 [0,0,0,0,0,0|3,0,0]=3 398 B13R0.336 C=CCCCCCCCCCSCF 62a_100015361967_100009814027 [0,0,0,0,0,0|3,0,0]=3 399 B13R0.336 C=CCCCCCCCCNCC=C 2230a_100020586998_100011933949 [0,0,0,0,0,0|2,0,2]=4 400 B13R0.336 C=CCCCCCCCCNCCF 34a_100000724931_100011933949 [0,0,0,0,0,0|3,0,0]=3 401 B13R0.336 C=CCCCCCCCCNCCO 2230a_100016997473_100011933949 [0,0,0,0,0,0|3,0,0]=3 402 B13R0.336 C=CCCCCCCCCNCCO 34a_100016990907_100011933949 [0,0,0,0,0,0|3,0,0]=3 403 B13R0.336 C=CCCCCCCCCOCC#N 7a_100011215194_100011215382 [0,0,0,0,0,0|3,0,1]=4 404 B13R0.336 C=CCCCCCCCCOCC=C 34a_100011215194_100015514636 [0,0,0,0,0,0|2,0,2]=4 405 B13R0.336 C=CCCCCCCCCOCC=C 34a_200000210373_100011933949 [0,0,0,0,0,0|2,0,2]=4 406 B13R0.336 C=CCCCCCCCCOCC=C 7a_100011215194_100015514636 [0,0,0,0,0,0|2,0,2]=4 407 B13R0.336 C=CCCCCCCCCOCC=O 34a_100011215194_200009817547 [0,0,0,0,0,0|1,0,2]=3 408 B13R0.336 C=CCCCCCCCCOCC=O 7a_100011215194_200015260668 [0,0,0,0,0,0|1,0,2]=3 409 B13R0.336 C=CCCCCCCCCOCCBr 34a_100000211926_100011933949 [0,0,0,0,0,0|3,0,0]=3 410 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [0,0,0,0,0,0|2,0,0]=2 411 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [0,0,0,0,0,0|2,0,0]=2 412 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [0,0,0,0,0,0|2,0,0]=2 413 B13R0.336 C=CCCCCCCCCOCCF 34a_100011215194_100011217306 [0,0,0,0,0,0|3,0,0]=3 414 B13R0.336 C=CCCCCCCCCOCCF 7a_100011215194_100011217306 [0,0,0,0,0,0|3,0,0]=3 415 B13R0.336 C=CCCCCCCCCOCCN 34a_100000210304_100011933949 [0,0,0,0,0,0|3,0,0]=3 416 B13R0.336 C=CCCCCCCCCOCCO 34a_100011215194_100000211926 [0,0,0,0,0,0|3,0,0]=3 417 B13R0.336 C=CCCCCCCCCOCCO 7a_100011215194_100000211926 [0,0,0,0,0,0|3,0,0]=3 418 B13R0.336 C=CCCCCCCCCOCSC 34a_100011215194_100011218213 [0,0,0,0,0,0|3,0,0]=3 419 B13R0.336 C=CCCCCCCCCSCC#N 62a_100011215382_100011933949 [0,0,0,0,0,0|3,0,1]=4 420 B13R0.336 C=CCCCCCCCCSCC#N 62a_100011933949_100011215382 [0,0,0,0,0,0|3,0,1]=4 421 B13R0.336 C=CCCCCCCCCSCC=C 62a_100000210623_100011933949 [0,0,0,0,0,0|2,0,2]=4 422 B13R0.336 C=CCCCCCCCCSCC=C 62a_100011933949_100000210623 [0,0,0,0,0,0|2,0,2]=4 423 B13R0.336 C=CCCCCCCCCSCC=O 62a_100011933949_200015260668 [0,0,0,0,0,0|1,0,2]=3 424 B13R0.336 C=CCCCCCCCCSCC=O 62a_200015260668_100011933949 [0,0,0,0,0,0|1,0,2]=3 425 B13R0.336 C=CCCCCCCCCSCCC 62a_100000210303_100011933949 [0,0,0,0,0,0|2,0,0]=2 426 B13R0.336 C=CCCCCCCCCSCCC 62a_100011933949_100000210303 [0,0,0,0,0,0|2,0,0]=2 427 B13R0.336 C=CCCCCCCCCSCCF 62a_100011217306_100011933949 [0,0,0,0,0,0|3,0,0]=3 428 B13R0.336 C=CCCCCCCCCSCCF 62a_100011933949_100011217306 [0,0,0,0,0,0|3,0,0]=3 429 B13R0.336 C=CCCCCCCCCSCCO 62a_100000211926_100011933949 [0,0,0,0,0,0|3,0,0]=3 430 B13R0.336 C=CCCCCCCCCSCCO 62a_100011933949_100000211926 [0,0,0,0,0,0|3,0,0]=3 431 B13R0.336 C=CCCCCCCCCSCOC 62a_100000766300_100011933949 [0,0,0,0,0,0|3,0,0]=3 432 B13R0.336 C=CCCCCCCCCSCOC 62a_100011933949_100000766300 [0,0,0,0,0,0|3,0,0]=3 433 B13R0.336 C=CCCCCCCCCSCSC 62a_100011218213_100011933949 [0,0,0,0,0,0|3,0,0]=3 434 B13R0.336 C=CCCCCCCCCSCSC 62a_100011933949_100011218213 [0,0,0,0,0,0|3,0,0]=3 435 B13R0.336 C=CCCCCCCCNCC#CC 2230a_100000685387_100012355270 [0,0,0,0,0,0|2,0,2]=4 436 B13R0.336 C=CCCCCCCCNCC#CC 34a_100000685387_100012355270 [0,0,0,0,0,0|2,0,2]=4 437 B13R0.336 C=CCCCCCCCNCCC=C 2230a_100015191253_100012355270 [0,0,0,0,0,0|2,0,2]=4 438 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [0,0,0,0,0,0|2,0,0]=2 439 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [0,0,0,0,0,0|2,0,0]=2 440 B13R0.336 C=CCCCCCCCNCCCF 2230a_100015189416_100012355270 [0,0,0,0,0,0|3,0,0]=3 441 B13R0.336 C=CCCCCCCCNCCCF 34a_100015189416_100012355270 [0,0,0,0,0,0|3,0,0]=3 442 B13R0.336 C=CCCCCCCCNCCOC 2230a_100000209980_100012355270 [0,0,0,0,0,0|3,0,0]=3 443 B13R0.336 C=CCCCCCCCNCCSC 2230a_100020590264_100012355270 [0,0,0,0,0,0|3,0,0]=3 444 B13R0.336 C=CCCCCCCCOC/C=C/C 34a_100000730831_100102629194 [0,0,0,0,0,0|2,0,2]=4 445 B13R0.336 C=CCCCCCCCOC/C=C/C 34a_100016270725_100012355270 [0,0,0,0,0,0|2,0,2]=4 446 B13R0.336 C=CCCCCCCCOC/C=C/C 7a_100000730831_100102629194 [0,0,0,0,0,0|2,0,2]=4 447 B13R0.336 C=CCCCCCCCOCC#CC 34a_100000730831_100000748600 [0,0,0,0,0,0|2,0,2]=4 448 B13R0.336 C=CCCCCCCCOCC#CC 34a_100000761923_100012355270 [0,0,0,0,0,0|2,0,2]=4 449 B13R0.336 C=CCCCCCCCOCC#CC 7a_100000730831_100000748600 [0,0,0,0,0,0|2,0,2]=4 450 B13R0.336 C=CCCCCCCCOCC=CC 34a_100000730831_100000070051 [0,0,0,0,0,0|2,0,2]=4 451 B13R0.336 C=CCCCCCCCOCC=CC 7a_100000730831_100000070051 [0,0,0,0,0,0|2,0,2]=4 452 B13R0.336 C=CCCCCCCCOCCC#N 7a_100000730831_100000184422 [0,0,0,0,0,0|3,0,1]=4 453 B13R0.336 C=CCCCCCCCOCCC=C 34a_100000730831_100000754431 [0,0,0,0,0,0|2,0,2]=4 454 B13R0.336 C=CCCCCCCCOCCC=C 34a_100011205117_100012355270 [0,0,0,0,0,0|2,0,2]=4 455 B13R0.336 C=CCCCCCCCOCCC=C 7a_100000730831_100000754431 [0,0,0,0,0,0|2,0,2]=4 456 B13R0.336 C=CCCCCCCCOCCCBr 34a_100011217188_100012355270 [0,0,0,0,0,0|3,0,0]=3 457 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [0,0,0,0,0,0|2,0,0]=2 458 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [0,0,0,0,0,0|2,0,0]=2 459 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [0,0,0,0,0,0|2,0,0]=2 460 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [0,0,0,0,0,0|2,0,0]=2 461 B13R0.336 C=CCCCCCCCOCCCCl 34a_100000230001_100012355270 [0,0,0,0,0,0|3,0,0]=3 462 B13R0.336 C=CCCCCCCCOCCCF 34a_100000730831_100011934791 [0,0,0,0,0,0|3,0,0]=3 463 B13R0.336 C=CCCCCCCCOCCCF 34a_100000759539_100012355270 [0,0,0,0,0,0|3,0,0]=3 464 B13R0.336 C=CCCCCCCCOCCCF 7a_100000730831_100011934791 [0,0,0,0,0,0|3,0,0]=3 465 B13R0.336 C=CCCCCCCCOCCCN 34a_100000182051_100012355270 [0,0,0,0,0,0|3,0,0]=3 466 B13R0.336 C=CCCCCCCCOCCCO 34a_100000730831_100000230001 [0,0,0,0,0,0|3,0,0]=3 467 B13R0.336 C=CCCCCCCCOCCCO 7a_100000730831_100011215043 [0,0,0,0,0,0|3,0,0]=3 468 B13R0.336 C=CCCCCCCCOCCOC 34a_100000210237_100012355270 [0,0,0,0,0,0|3,0,0]=3 469 B13R0.336 C=CCCCCCCCOCCOC 34a_100000730831_100011201679 [0,0,0,0,0,0|3,0,0]=3 470 B13R0.336 C=CCCCCCCCOCCOC 7a_100000730831_100000233755 [0,0,0,0,0,0|3,0,0]=3 471 B13R0.336 C=CCCCCCCCOCCON 34a_100000700252_100012355270 [0,0,0,0,0,0|4,0,0]=4 472 B13R0.336 C=CCCCCCCCOCCSC 34a_100000230434_100012355270 [0,0,0,0,0,0|3,0,0]=3 473 B13R0.336 C=CCCCCCCCOCCSC 34a_100000730831_100000212216 [0,0,0,0,0,0|3,0,0]=3 474 B13R0.336 C=CCCCCCCCOCCSC 7a_100000230434_100012355270 [0,0,0,0,0,0|3,0,0]=3 475 B13R0.336 C=CCCCCCCCOCCSC 7a_100000730831_100000212216 [0,0,0,0,0,0|3,0,0]=3 476 B13R0.336 C=CCCCCCCCSC/C=C/C 62a_100012355270_100102629194 [0,0,0,0,0,0|2,0,2]=4 477 B13R0.336 C=CCCCCCCCSC/C=C/C 62a_100102629194_100012355270 [0,0,0,0,0,0|2,0,2]=4 478 B13R0.336 C=CCCCCCCCSCC#CC 62a_100000748600_100012355270 [0,0,0,0,0,0|2,0,2]=4 479 B13R0.336 C=CCCCCCCCSCC#CC 62a_100012355270_100000748600 [0,0,0,0,0,0|2,0,2]=4 480 B13R0.336 C=CCCCCCCCSCC=CC 62a_100000070051_100012355270 [0,0,0,0,0,0|2,0,2]=4 481 B13R0.336 C=CCCCCCCCSCC=CC 62a_100012355270_100000070051 [0,0,0,0,0,0|2,0,2]=4 482 B13R0.336 C=CCCCCCCCSCCC#N 62a_100011215226_100012355270 [0,0,0,0,0,0|3,0,1]=4 483 B13R0.336 C=CCCCCCCCSCCC#N 62a_100012355270_100011215226 [0,0,0,0,0,0|3,0,1]=4 484 B13R0.336 C=CCCCCCCCSCCC=C 62a_100000754431_100012355270 [0,0,0,0,0,0|2,0,2]=4 485 B13R0.336 C=CCCCCCCCSCCC=C 62a_100012355270_100000754431 [0,0,0,0,0,0|2,0,2]=4 486 B13R0.336 C=CCCCCCCCSCCCC 62a_100000210211_100012355270 [0,0,0,0,0,0|2,0,0]=2 487 B13R0.336 C=CCCCCCCCSCCCC 62a_100012355270_100000210210 [0,0,0,0,0,0|2,0,0]=2 488 B13R0.336 C=CCCCCCCCSCCCF 62a_100011934791_100012355270 [0,0,0,0,0,0|3,0,0]=3 489 B13R0.336 C=CCCCCCCCSCCCF 62a_100012355270_100011934791 [0,0,0,0,0,0|3,0,0]=3 490 B13R0.336 C=CCCCCCCCSCCCO 62a_100011215043_100012355270 [0,0,0,0,0,0|3,0,0]=3 491 B13R0.336 C=CCCCCCCCSCCCO 62a_100012355270_100011215043 [0,0,0,0,0,0|3,0,0]=3 492 B13R0.336 C=CCCCCCCCSCCOC 62a_100000233755_100012355270 [0,0,0,0,0,0|3,0,0]=3 493 B13R0.336 C=CCCCCCCCSCCOC 62a_100012355270_100000233755 [0,0,0,0,0,0|3,0,0]=3 494 B13R0.336 C=CCCCCCCCSCCSC 62a_100000212216_100012355270 [0,0,0,0,0,0|3,0,0]=3 495 B13R0.336 C=CCCCCCCCSCCSC 62a_100012355270_100000751147 [0,0,0,0,0,0|3,0,0]=3 496 B13R0.336 C=CCCCCCCCSCOCC 62a_100000739092_100012355270 [0,0,0,0,0,0|3,0,0]=3 497 B13R0.336 C=CCCCCCCCSCOCC 62a_100012355270_100000739092 [0,0,0,0,0,0|3,0,0]=3 498 B13R0.336 C=CCCCCCCNCCCC=C 2230a_100000700776_100011215473 [0,0,0,0,0,0|2,0,2]=4 499 B13R0.336 C=CCCCCCCNCCCC=C 34a_100000700776_100011215473 [0,0,0,0,0,0|2,0,2]=4 500 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [0,0,0,0,0,0|2,0,0]=2 501 B13R0.336 C=CCCCCCCNCCCCO 2230a_100000750430_100011215473 [0,0,0,0,0,0|3,0,0]=3 502 B13R0.336 C=CCCCCCCNCCCCO 34a_100000750430_100011215473 [0,0,0,0,0,0|3,0,0]=3 503 B13R0.336 C=CCCCCCCNCCCOC 34a_100150723488_100011215473 [0,0,0,0,0,0|3,0,0]=3 504 B13R0.336 C=CCCCCCCNCCCSC 2230a_100000749238_100011215473 [0,0,0,0,0,0|3,0,0]=3 505 B13R0.336 C=CCCCCCCNCCOCC 2230a_102516460346_100011215473 [0,0,0,0,0,0|3,0,0]=3 506 B13R0.336 C=CCCCCCCNCCOCC 34a_102516460346_100011215473 [0,0,0,0,0,0|3,0,0]=3 507 B13R0.336 C=CCCCCCCNCCSCC 2230a_100000106463_100011215473 [0,0,0,0,0,0|3,0,0]=3 508 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_100016268518_100011215473 [0,0,0,0,0,0|2,0,2]=4 509 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_200011216477_100103147603 [0,0,0,0,0,0|2,0,2]=4 510 B13R0.336 C=CCCCCCCOC/C=C\CC 7a_200011216477_100103147603 [0,0,0,0,0,0|2,0,2]=4 511 B13R0.336 C=CCCCCCCOCC#CCC 34a_100000032950_100011215473 [0,0,0,0,0,0|2,0,2]=4 512 B13R0.336 C=CCCCCCCOCC#CCC 34a_200011216477_100009813939 [0,0,0,0,0,0|2,0,2]=4 513 B13R0.336 C=CCCCCCCOCC#CCC 7a_200011216477_100009813939 [0,0,0,0,0,0|2,0,2]=4 514 B13R0.336 C=CCCCCCCOCC/C=C/C 34a_100016278192_100011215473 [0,0,0,0,0,0|2,0,2]=4 515 B13R0.336 C=CCCCCCCOCCC#CC 34a_100000750427_100011215473 [0,0,0,0,0,0|2,0,2]=4 516 B13R0.336 C=CCCCCCCOCCCC#N 7a_200011216477_100000687738 [0,0,0,0,0,0|3,0,1]=4 517 B13R0.336 C=CCCCCCCOCCCC=C 34a_100000758997_100011215473 [0,0,0,0,0,0|2,0,2]=4 518 B13R0.336 C=CCCCCCCOCCCC=C 34a_200011216477_100000757094 [0,0,0,0,0,0|2,0,2]=4 519 B13R0.336 C=CCCCCCCOCCCC=C 7a_100000758997_100011215473 [0,0,0,0,0,0|2,0,2]=4 520 B13R0.336 C=CCCCCCCOCCCC=C 7a_200011216477_100000757094 [0,0,0,0,0,0|2,0,2]=4 521 B13R0.336 C=CCCCCCCOCCCC=O 7a_200011216477_200011292268 [0,0,0,0,0,0|1,0,2]=3 522 B13R0.336 C=CCCCCCCOCCCCBr 34a_100011216708_100011215473 [0,0,0,0,0,0|3,0,0]=3 523 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [0,0,0,0,0,0|2,0,0]=2 524 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [0,0,0,0,0,0|2,0,0]=2 525 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [0,0,0,0,0,0|2,0,0]=2 526 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [0,0,0,0,0,0|2,0,0]=2 527 B13R0.336 C=CCCCCCCOCCCCCl 34a_100000210776_100011215473 [0,0,0,0,0,0|3,0,0]=3 528 B13R0.336 C=CCCCCCCOCCCCCl 7a_100000210776_100011215473 [0,0,0,0,0,0|3,0,0]=3 529 B13R0.336 C=CCCCCCCOCCCCF 34a_100011995726_100011215473 [0,0,0,0,0,0|3,0,0]=3 530 B13R0.336 C=CCCCCCCOCCCCF 34a_200011216477_100000729493 [0,0,0,0,0,0|3,0,0]=3 531 B13R0.336 C=CCCCCCCOCCCCF 7a_100011995726_100011215473 [0,0,0,0,0,0|3,0,0]=3 532 B13R0.336 C=CCCCCCCOCCCCF 7a_200011216477_100000729493 [0,0,0,0,0,0|3,0,0]=3 533 B13R0.336 C=CCCCCCCOCCCCI 34a_200012148704_100011215473 [0,0,0,0,0,0|3,0,0]=3 534 B13R0.336 C=CCCCCCCOCCCCN 34a_100000750430_100011215473 [0,0,0,0,0,0|3,0,0]=3 535 B13R0.336 C=CCCCCCCOCCCCO 34a_200011216477_100011216708 [0,0,0,0,0,0|3,0,0]=3 536 B13R0.336 C=CCCCCCCOCCCCO 7a_200011216477_100000210776 [0,0,0,0,0,0|3,0,0]=3 537 B13R0.336 C=CCCCCCCOCCCNC 34a_100000213112_100011215473 [0,0,0,0,0,0|3,0,0]=3 538 B13R0.336 C=CCCCCCCOCCCOC 34a_100000740835_100011215473 [0,0,0,0,0,0|3,0,0]=3 539 B13R0.336 C=CCCCCCCOCCCOC 34a_200011216477_100000740836 [0,0,0,0,0,0|3,0,0]=3 540 B13R0.336 C=CCCCCCCOCCCOC 7a_200011216477_100000740836 [0,0,0,0,0,0|3,0,0]=3 541 B13R0.336 C=CCCCCCCOCCCSC 34a_100000690336_100011215473 [0,0,0,0,0,0|3,0,0]=3 542 B13R0.336 C=CCCCCCCOCCCSC 7a_100000690336_100011215473 [0,0,0,0,0,0|3,0,0]=3 543 B13R0.336 C=CCCCCCCOCCOCC 34a_100000210136_100011215473 [0,0,0,0,0,0|3,0,0]=3 544 B13R0.336 C=CCCCCCCOCCOCC 34a_200011216477_100000210147 [0,0,0,0,0,0|3,0,0]=3 545 B13R0.336 C=CCCCCCCOCCOCC 7a_100000210136_100011215473 [0,0,0,0,0,0|3,0,0]=3 546 B13R0.336 C=CCCCCCCOCCOCC 7a_200011216477_100011215890 [0,0,0,0,0,0|3,0,0]=3 547 B13R0.336 C=CCCCCCCOCCSCC 34a_100000212035_100011215473 [0,0,0,0,0,0|3,0,0]=3 548 B13R0.336 C=CCCCCCCOCCSCC 34a_200011216477_100000757381 [0,0,0,0,0,0|3,0,0]=3 549 B13R0.336 C=CCCCCCCOCCSCC 7a_100000212035_100011215473 [0,0,0,0,0,0|3,0,0]=3 550 B13R0.336 C=CCCCCCCOCCSCC 7a_200011216477_100000757381 [0,0,0,0,0,0|3,0,0]=3 551 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100011215473_100103147603 [0,0,0,0,0,0|2,0,2]=4 552 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100103147603_100011215473 [0,0,0,0,0,0|2,0,2]=4 553 B13R0.336 C=CCCCCCCSCC#CCC 62a_100009813939_100011215473 [0,0,0,0,0,0|2,0,2]=4 554 B13R0.336 C=CCCCCCCSCC#CCC 62a_100011215473_100009813939 [0,0,0,0,0,0|2,0,2]=4 555 B13R0.336 C=CCCCCCCSCCCC#N 62a_100000687738_100011215473 [0,0,0,0,0,0|3,0,1]=4 556 B13R0.336 C=CCCCCCCSCCCC#N 62a_100011215473_100000687738 [0,0,0,0,0,0|3,0,1]=4 557 B13R0.336 C=CCCCCCCSCCCC=C 62a_100011215473_100000757094 [0,0,0,0,0,0|2,0,2]=4 558 B13R0.336 C=CCCCCCCSCCCC=C 62a_100011713584_100011215473 [0,0,0,0,0,0|2,0,2]=4 559 B13R0.336 C=CCCCCCCSCCCC=O 62a_100011215473_200011292268 [0,0,0,0,0,0|1,0,2]=3 560 B13R0.336 C=CCCCCCCSCCCC=O 62a_200011292268_100011215473 [0,0,0,0,0,0|1,0,2]=3 561 B13R0.336 C=CCCCCCCSCCCCC 62a_100000210326_100011215473 [0,0,0,0,0,0|2,0,0]=2 562 B13R0.336 C=CCCCCCCSCCCCC 62a_100011215473_100000210326 [0,0,0,0,0,0|2,0,0]=2 563 B13R0.336 C=CCCCCCCSCCCCF 62a_100000729493_100011215473 [0,0,0,0,0,0|3,0,0]=3 564 B13R0.336 C=CCCCCCCSCCCCF 62a_100011215473_100000729493 [0,0,0,0,0,0|3,0,0]=3 565 B13R0.336 C=CCCCCCCSCCCCO 62a_100000210776_100011215473 [0,0,0,0,0,0|3,0,0]=3 566 B13R0.336 C=CCCCCCCSCCCCO 62a_100011215473_100000210776 [0,0,0,0,0,0|3,0,0]=3 567 B13R0.336 C=CCCCCCCSCCCOC 62a_100000709357_100011215473 [0,0,0,0,0,0|3,0,0]=3 568 B13R0.336 C=CCCCCCCSCCCOC 62a_100011215473_100000709357 [0,0,0,0,0,0|3,0,0]=3 569 B13R0.336 C=CCCCCCCSCCOCC 62a_100000210147_100011215473 [0,0,0,0,0,0|3,0,0]=3 570 B13R0.336 C=CCCCCCCSCCOCC 62a_100011215473_100011215890 [0,0,0,0,0,0|3,0,0]=3 571 B13R0.336 C=CCCCCCCSCCSCC 62a_100000757381_100011215473 [0,0,0,0,0,0|3,0,0]=3 572 B13R0.336 C=CCCCCCCSCCSCC 62a_100011215473_100000757381 [0,0,0,0,0,0|3,0,0]=3 573 B13R0.336 C=CCCCCCNCCCCC=C 2230a_100000703577_100000700193 [0,0,0,0,0,0|2,0,2]=4 574 B13R0.336 C=CCCCCCNCCCCC=C 34a_100000703577_100000700193 [0,0,0,0,0,0|2,0,2]=4 575 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [0,0,0,0,0,0|2,0,0]=2 576 B13R0.336 C=CCCCCCNCCCCCO 2230a_100000762737_100000700193 [0,0,0,0,0,0|3,0,0]=3 577 B13R0.336 C=CCCCCCNCCCCCO 34a_100000762737_100000700193 [0,0,0,0,0,0|3,0,0]=3 578 B13R0.336 C=CCCCCCNCCCOCC 2230a_100000210961_100000700193 [0,0,0,0,0,0|3,0,0]=3 579 B13R0.336 C=CCCCCCNCCCOCC 34a_100000210961_100000700193 [0,0,0,0,0,0|3,0,0]=3 580 B13R0.336 C=CCCCCCNCCOCCC 2230a_100161115042_100000700193 [0,0,0,0,0,0|3,0,0]=3 581 B13R0.336 C=CCCCCCNCCOCCC 34a_100161115042_100000700193 [0,0,0,0,0,0|3,0,0]=3 582 B13R0.336 C=CCCCCCNCCOCCO 2230a_100000211614_100000700193 [0,0,0,0,0,0|4,0,0]=4 583 B13R0.336 C=CCCCCCNCCOCCO 34a_100000211614_100000700193 [0,0,0,0,0,0|4,0,0]=4 584 B13R0.336 C=CCCCCCNCCSCCC 2230a_100020603323_100000700193 [0,0,0,0,0,0|3,0,0]=3 585 B13R0.336 C=CCCCCCNCCSCCO 2230a_100011219999_100000700193 [0,0,0,0,0,0|4,0,0]=4 586 B13R0.336 C=CCCCCCOC/C=C/CCC 34a_100016278788_100000700193 [0,0,0,0,0,0|2,0,2]=4 587 B13R0.336 C=CCCCCCOC/C=C/CCC 7a_100016278788_100000700193 [0,0,0,0,0,0|2,0,2]=4 588 B13R0.336 C=CCCCCCOCC#CCCC 34a_100000034806_100000700193 [0,0,0,0,0,0|2,0,2]=4 589 B13R0.336 C=CCCCCCOCC#CCCC 7a_100000034806_100000700193 [0,0,0,0,0,0|2,0,2]=4 590 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100011216702_100015370543 [0,0,0,0,0,0|2,0,2]=4 591 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100016288707_100000700193 [0,0,0,0,0,0|2,0,2]=4 592 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100011216702_100015370543 [0,0,0,0,0,0|2,0,2]=4 593 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100016288707_100000700193 [0,0,0,0,0,0|2,0,2]=4 594 B13R0.336 C=CCCCCCOCCC#CCC 34a_100000036655_100000700193 [0,0,0,0,0,0|2,0,2]=4 595 B13R0.336 C=CCCCCCOCCC#CCC 7a_100000036655_100000700193 [0,0,0,0,0,0|2,0,2]=4 596 B13R0.336 C=CCCCCCOCCCC=CC 34a_100020645299_100000700193 [0,0,0,0,0,0|2,0,2]=4 597 B13R0.336 C=CCCCCCOCCCCC#N 7a_100011216702_100000211819 [0,0,0,0,0,0|3,0,1]=4 598 B13R0.336 C=CCCCCCOCCCCC=C 34a_100000766645_100000700193 [0,0,0,0,0,0|2,0,2]=4 599 B13R0.336 C=CCCCCCOCCCCC=C 34a_100011216702_100011215482 [0,0,0,0,0,0|2,0,2]=4 600 B13R0.336 C=CCCCCCOCCCCC=C 7a_100000766645_100000700193 [0,0,0,0,0,0|2,0,2]=4 601 B13R0.336 C=CCCCCCOCCCCC=C 7a_100011216702_100011215482 [0,0,0,0,0,0|2,0,2]=4 602 B13R0.336 C=CCCCCCOCCCCC=O 7a_100011216702_100000139335 [0,0,0,0,0,0|1,0,2]=3 603 B13R0.336 C=CCCCCCOCCCCCBr 34a_100000746331_100000700193 [0,0,0,0,0,0|3,0,0]=3 604 B13R0.336 C=CCCCCCOCCCCCBr 7a_100000746331_100000700193 [0,0,0,0,0,0|3,0,0]=3 605 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [0,0,0,0,0,0|2,0,0]=2 606 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [0,0,0,0,0,0|2,0,0]=2 607 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [0,0,0,0,0,0|2,0,0]=2 608 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [0,0,0,0,0,0|2,0,0]=2 609 B13R0.336 C=CCCCCCOCCCCCCl 34a_100000746330_100000700193 [0,0,0,0,0,0|3,0,0]=3 610 B13R0.336 C=CCCCCCOCCCCCCl 7a_100000746330_100000700193 [0,0,0,0,0,0|3,0,0]=3 611 B13R0.336 C=CCCCCCOCCCCCF 34a_100011216702_100000729378 [0,0,0,0,0,0|3,0,0]=3 612 B13R0.336 C=CCCCCCOCCCCCF 7a_100011216702_100000729378 [0,0,0,0,0,0|3,0,0]=3 613 B13R0.336 C=CCCCCCOCCCCCI 34a_200012148887_100000700193 [0,0,0,0,0,0|3,0,0]=3 614 B13R0.336 C=CCCCCCOCCCCCI 7a_200012148887_100000700193 [0,0,0,0,0,0|3,0,0]=3 615 B13R0.336 C=CCCCCCOCCCCCN 34a_100000762737_100000700193 [0,0,0,0,0,0|3,0,0]=3 616 B13R0.336 C=CCCCCCOCCCCCO 34a_100011216702_100000746330 [0,0,0,0,0,0|3,0,0]=3 617 B13R0.336 C=CCCCCCOCCCCCO 7a_100011216702_100000746330 [0,0,0,0,0,0|3,0,0]=3 618 B13R0.336 C=CCCCCCOCCCCOC 34a_100000740925_100000700193 [0,0,0,0,0,0|3,0,0]=3 619 B13R0.336 C=CCCCCCOCCCCOC 34a_100011216702_100000755781 [0,0,0,0,0,0|3,0,0]=3 620 B13R0.336 C=CCCCCCOCCCCOC 7a_100011216702_100000730899 [0,0,0,0,0,0|3,0,0]=3 621 B13R0.336 C=CCCCCCOCCCCSC 34a_100011217163_100000700193 [0,0,0,0,0,0|3,0,0]=3 622 B13R0.336 C=CCCCCCOCCCCSC 7a_100011217163_100000700193 [0,0,0,0,0,0|3,0,0]=3 623 B13R0.336 C=CCCCCCOCCCOCC 34a_100000757476_100000700193 [0,0,0,0,0,0|3,0,0]=3 624 B13R0.336 C=CCCCCCOCCCOCC 34a_100011216702_100012232248 [0,0,0,0,0,0|3,0,0]=3 625 B13R0.336 C=CCCCCCOCCCOCC 7a_100000757476_100000700193 [0,0,0,0,0,0|3,0,0]=3 626 B13R0.336 C=CCCCCCOCCCOCC 7a_100011216702_100012232248 [0,0,0,0,0,0|3,0,0]=3 627 B13R0.336 C=CCCCCCOCCCSCC 34a_100011216438_100000700193 [0,0,0,0,0,0|3,0,0]=3 628 B13R0.336 C=CCCCCCOCCCSCC 7a_100011216438_100000700193 [0,0,0,0,0,0|3,0,0]=3 629 B13R0.336 C=CCCCCCOCCOCCBr 34a_100000692535_100000700193 [0,0,0,0,0,0|4,0,0]=4 630 B13R0.336 C=CCCCCCOCCOCCBr 7a_100000692535_100000700193 [0,0,0,0,0,0|4,0,0]=4 631 B13R0.336 C=CCCCCCOCCOCCC 34a_100000752267_100000700193 [0,0,0,0,0,0|3,0,0]=3 632 B13R0.336 C=CCCCCCOCCOCCC 34a_100011216702_100011215938 [0,0,0,0,0,0|3,0,0]=3 633 B13R0.336 C=CCCCCCOCCOCCC 7a_100000752267_100000700193 [0,0,0,0,0,0|3,0,0]=3 634 B13R0.336 C=CCCCCCOCCOCCC 7a_100011216702_100011215938 [0,0,0,0,0,0|3,0,0]=3 635 B13R0.336 C=CCCCCCOCCOCCCl 34a_100011215305_100000700193 [0,0,0,0,0,0|4,0,0]=4 636 B13R0.336 C=CCCCCCOCCOCCCl 7a_100011215305_100000700193 [0,0,0,0,0,0|4,0,0]=4 637 B13R0.336 C=CCCCCCOCCOCCF 34a_200015357709_100000700193 [0,0,0,0,0,0|4,0,0]=4 638 B13R0.336 C=CCCCCCOCCOCCF 7a_200015357709_100000700193 [0,0,0,0,0,0|4,0,0]=4 639 B13R0.336 C=CCCCCCOCCOCCI 34a_100012149058_100000700193 [0,0,0,0,0,0|4,0,0]=4 640 B13R0.336 C=CCCCCCOCCOCCI 7a_100012149058_100000700193 [0,0,0,0,0,0|4,0,0]=4 641 B13R0.336 C=CCCCCCOCCOCCN 34a_100000211614_100000700193 [0,0,0,0,0,0|4,0,0]=4 642 B13R0.336 C=CCCCCCOCCOCCO 34a_100011216702_100000692535 [0,0,0,0,0,0|4,0,0]=4 643 B13R0.336 C=CCCCCCOCCOCCO 7a_100011216702_100011215305 [0,0,0,0,0,0|4,0,0]=4 644 B13R0.336 C=CCCCCCOCCSCCC 34a_200000230433_100000700193 [0,0,0,0,0,0|3,0,0]=3 645 B13R0.336 C=CCCCCCOCCSCCC 7a_200000230433_100000700193 [0,0,0,0,0,0|3,0,0]=3 646 B13R0.336 C=CCCCCCOCOCCCC 34a_100011216702_100011995733 [0,0,0,0,0,0|3,0,0]=3 647 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100000700193_100015370543 [0,0,0,0,0,0|2,0,2]=4 648 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100015370543_100000700193 [0,0,0,0,0,0|2,0,2]=4 649 B13R0.336 C=CCCCCCSCCCCC#N 62a_100000700193_100000211819 [0,0,0,0,0,0|3,0,1]=4 650 B13R0.336 C=CCCCCCSCCCCC#N 62a_100011219923_100000700193 [0,0,0,0,0,0|3,0,1]=4 651 B13R0.336 C=CCCCCCSCCCCC=C 62a_100000700193_100011215482 [0,0,0,0,0,0|2,0,2]=4 652 B13R0.336 C=CCCCCCSCCCCC=C 62a_100011215482_100000700193 [0,0,0,0,0,0|2,0,2]=4 653 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000139335_100000700193 [0,0,0,0,0,0|1,0,2]=3 654 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000700193_100000139335 [0,0,0,0,0,0|1,0,2]=3 655 B13R0.336 C=CCCCCCSCCCCCC 62a_100000210314_100000700193 [0,0,0,0,0,0|2,0,0]=2 656 B13R0.336 C=CCCCCCSCCCCCC 62a_100000700193_100000210757 [0,0,0,0,0,0|2,0,0]=2 657 B13R0.336 C=CCCCCCSCCCCCF 62a_100000700193_100000729378 [0,0,0,0,0,0|3,0,0]=3 658 B13R0.336 C=CCCCCCSCCCCCF 62a_100000729378_100000700193 [0,0,0,0,0,0|3,0,0]=3 659 B13R0.336 C=CCCCCCSCCCCCO 62a_100000700193_100000746330 [0,0,0,0,0,0|3,0,0]=3 660 B13R0.336 C=CCCCCCSCCCCCO 62a_100000746330_100000700193 [0,0,0,0,0,0|3,0,0]=3 661 B13R0.336 C=CCCCCCSCCCCOC 62a_100000700193_100000730899 [0,0,0,0,0,0|3,0,0]=3 662 B13R0.336 C=CCCCCCSCCCCOC 62a_100000730899_100000700193 [0,0,0,0,0,0|3,0,0]=3 663 B13R0.336 C=CCCCCCSCCCOCC 62a_100000700193_100012232248 [0,0,0,0,0,0|3,0,0]=3 664 B13R0.336 C=CCCCCCSCCCOCC 62a_100012232248_100000700193 [0,0,0,0,0,0|3,0,0]=3 665 B13R0.336 C=CCCCCCSCCOCCC 62a_100000700193_100011215938 [0,0,0,0,0,0|3,0,0]=3 666 B13R0.336 C=CCCCCCSCCOCCC 62a_100011215938_100000700193 [0,0,0,0,0,0|3,0,0]=3 667 B13R0.336 C=CCCCCCSCCOCCO 62a_100000700193_100011215305 [0,0,0,0,0,0|4,0,0]=4 668 B13R0.336 C=CCCCCCSCCOCCO 62a_100011215305_100000700193 [0,0,0,0,0,0|4,0,0]=4 669 B13R0.336 C=CCCCCCSCOCCCC 62a_100000700193_100011995733 [0,0,0,0,0,0|3,0,0]=3 670 B13R0.336 C=CCCCCCSCOCCCC 62a_100011995733_100000700193 [0,0,0,0,0,0|3,0,0]=3 671 B13R0.336 C=CCCCCCSCOCCOC 62a_100000231047_100000700193 [0,0,0,0,0,0|4,0,0]=4 672 B13R0.336 C=CCCCCCSCOCCOC 62a_100000700193_100000231047 [0,0,0,0,0,0|4,0,0]=4 673 B13R0.336 C=CCCCCNCCCCCC#N 2230a_100000703577_100009813376 [0,0,0,0,0,0|3,0,1]=4 674 B13R0.336 C=CCCCCNCCCCCC=O 2230a_100000703577_100000139337 [0,0,0,0,0,0|1,0,2]=3 675 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [0,0,0,0,0,0|2,0,0]=2 676 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [0,0,0,0,0,0|2,0,0]=2 677 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [0,0,0,0,0,0|2,0,0]=2 678 B13R0.336 C=CCCCCNCCCCCCF 2230a_100000703577_100015922095 [0,0,0,0,0,0|3,0,0]=3 679 B13R0.336 C=CCCCCNCCCCCCF 34a_100000703577_100015922095 [0,0,0,0,0,0|3,0,0]=3 680 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000686447_100011215482 [0,0,0,0,0,0|3,0,0]=3 681 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000703577_100000766143 [0,0,0,0,0,0|3,0,0]=3 682 B13R0.336 C=CCCCCNCCCCCCO 34a_100000686447_100011215482 [0,0,0,0,0,0|3,0,0]=3 683 B13R0.336 C=CCCCCNCCCCCCO 34a_100000703577_100000766143 [0,0,0,0,0,0|3,0,0]=3 684 B13R0.336 C=CCCCCNCCCCCOC 2230a_100000747528_100011215482 [0,0,0,0,0,0|3,0,0]=3 685 B13R0.336 C=CCCCCNCCCCCOC 34a_100000747528_100011215482 [0,0,0,0,0,0|3,0,0]=3 686 B13R0.336 C=CCCCCNCCCOCCC 2230a_100011217757_100011215482 [0,0,0,0,0,0|3,0,0]=3 687 B13R0.336 C=CCCCCNCCCOCCC 34a_100011217757_100011215482 [0,0,0,0,0,0|3,0,0]=3 688 B13R0.336 C=CCCCCNCCOCCCC 2230a_100000703577_100000743108 [0,0,0,0,0,0|3,0,0]=3 689 B13R0.336 C=CCCCCNCCOCCCC 34a_100000703577_100000743108 [0,0,0,0,0,0|3,0,0]=3 690 B13R0.336 C=CCCCCNCCOCCOC 2230a_100000703577_100000695917 [0,0,0,0,0,0|4,0,0]=4 691 B13R0.336 C=CCCCCNCCOCCOC 2230a_100000745349_100011215482 [0,0,0,0,0,0|4,0,0]=4 692 B13R0.336 C=CCCCCNCCOCCOC 34a_100000703577_100000695917 [0,0,0,0,0,0|4,0,0]=4 693 B13R0.336 C=CCCCCNCCOCCOC 34a_100000745349_100011215482 [0,0,0,0,0,0|4,0,0]=4 694 B13R0.336 C=CCCCCNCCSCCCC 2230a_100025743550_100011215482 [0,0,0,0,0,0|3,0,0]=3 695 B13R0.336 C=CCCCCOC/C=C/CCCC 34a_200016272032_100011215482 [0,0,0,0,0,0|2,0,2]=4 696 B13R0.336 C=CCCCCOC/C=C/CCCC 7a_200016272032_100011215482 [0,0,0,0,0,0|2,0,2]=4 697 B13R0.336 C=CCCCCOCC#CCCCC 34a_200000034558_100011215482 [0,0,0,0,0,0|2,0,2]=4 698 B13R0.336 C=CCCCCOCC#CCCCC 7a_200000034558_100011215482 [0,0,0,0,0,0|2,0,2]=4 699 B13R0.336 C=CCCCCOCCC#CCCC 34a_100000042726_100011215482 [0,0,0,0,0,0|2,0,2]=4 700 B13R0.336 C=CCCCCOCCC#CCCC 7a_100000042726_100011215482 [0,0,0,0,0,0|2,0,2]=4 701 B13R0.336 C=CCCCCOCCC/C=C/CC 34a_100016287902_100011215482 [0,0,0,0,0,0|2,0,2]=4 702 B13R0.336 C=CCCCCOCCC/C=C/CC 7a_100016287902_100011215482 [0,0,0,0,0,0|2,0,2]=4 703 B13R0.336 C=CCCCCOCCCCCC#N 7a_100000766645_100009813376 [0,0,0,0,0,0|3,0,1]=4 704 B13R0.336 C=CCCCCOCCCCCC=O 7a_100000766645_100000139337 [0,0,0,0,0,0|1,0,2]=3 705 B13R0.336 C=CCCCCOCCCCCCBr 34a_100011215345_100011215482 [0,0,0,0,0,0|3,0,0]=3 706 B13R0.336 C=CCCCCOCCCCCCBr 7a_100011215345_100011215482 [0,0,0,0,0,0|3,0,0]=3 707 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [0,0,0,0,0,0|2,0,0]=2 708 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [0,0,0,0,0,0|2,0,0]=2 709 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [0,0,0,0,0,0|2,0,0]=2 710 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [0,0,0,0,0,0|2,0,0]=2 711 B13R0.336 C=CCCCCOCCCCCCCl 34a_100000766143_100011215482 [0,0,0,0,0,0|3,0,0]=3 712 B13R0.336 C=CCCCCOCCCCCCCl 7a_100000766143_100011215482 [0,0,0,0,0,0|3,0,0]=3 713 B13R0.336 C=CCCCCOCCCCCCF 34a_100000732779_100011215482 [0,0,0,0,0,0|3,0,0]=3 714 B13R0.336 C=CCCCCOCCCCCCF 34a_100000766645_100015922095 [0,0,0,0,0,0|3,0,0]=3 715 B13R0.336 C=CCCCCOCCCCCCF 7a_100000732779_100011215482 [0,0,0,0,0,0|3,0,0]=3 716 B13R0.336 C=CCCCCOCCCCCCF 7a_100000766645_100015922095 [0,0,0,0,0,0|3,0,0]=3 717 B13R0.336 C=CCCCCOCCCCCCN 34a_100000686447_100011215482 [0,0,0,0,0,0|3,0,0]=3 718 B13R0.336 C=CCCCCOCCCCCCO 34a_100000766645_100000766143 [0,0,0,0,0,0|3,0,0]=3 719 B13R0.336 C=CCCCCOCCCCCCO 7a_100000766645_100000766143 [0,0,0,0,0,0|3,0,0]=3 720 B13R0.336 C=CCCCCOCCCCCNC 34a_100000722520_100011215482 [0,0,0,0,0,0|3,0,0]=3 721 B13R0.336 C=CCCCCOCCOCCCC 34a_100000210238_100011215482 [0,0,0,0,0,0|3,0,0]=3 722 B13R0.336 C=CCCCCOCCOCCCC 34a_100000766645_100000743108 [0,0,0,0,0,0|3,0,0]=3 723 B13R0.336 C=CCCCCOCCOCCCC 7a_100000210238_100011215482 [0,0,0,0,0,0|3,0,0]=3 724 B13R0.336 C=CCCCCOCCOCCCC 7a_100000766645_100000743108 [0,0,0,0,0,0|3,0,0]=3 725 B13R0.336 C=CCCCCOCCOCCNC 34a_100000228057_100011215482 [0,0,0,0,0,0|4,0,0]=4 726 B13R0.336 C=CCCCCOCCOCCOC 34a_100000766645_100000695917 [0,0,0,0,0,0|4,0,0]=4 727 B13R0.336 C=CCCCCOCCOCCOC 34a_100011215163_100011215482 [0,0,0,0,0,0|4,0,0]=4 728 B13R0.336 C=CCCCCOCCOCCOC 7a_100000766645_100000695917 [0,0,0,0,0,0|4,0,0]=4 729 B13R0.336 C=CCCCCOCCOCCOC 7a_100011215163_100011215482 [0,0,0,0,0,0|4,0,0]=4 730 B13R0.336 C=CCCCCOCCSCCCC 34a_200000230436_100011215482 [0,0,0,0,0,0|3,0,0]=3 731 B13R0.336 C=CCCCCOCCSCCCC 7a_200000230436_100011215482 [0,0,0,0,0,0|3,0,0]=3 732 B13R0.336 C=CCCCCSCCCCCC#N 62a_100009813376_100011215482 [0,0,0,0,0,0|3,0,1]=4 733 B13R0.336 C=CCCCCSCCCCCC#N 62a_100011215482_100009813376 [0,0,0,0,0,0|3,0,1]=4 734 B13R0.336 C=CCCCCSCCCCCC=O 62a_100000139337_100011215482 [0,0,0,0,0,0|1,0,2]=3 735 B13R0.336 C=CCCCCSCCCCCC=O 62a_100011215482_100000139337 [0,0,0,0,0,0|1,0,2]=3 736 B13R0.336 C=CCCCCSCCCCCCC 62a_100000210614_100011215482 [0,0,0,0,0,0|2,0,0]=2 737 B13R0.336 C=CCCCCSCCCCCCC 62a_100011215482_100000210316 [0,0,0,0,0,0|2,0,0]=2 738 B13R0.336 C=CCCCCSCCCCCCF 62a_100011215482_100015922095 [0,0,0,0,0,0|3,0,0]=3 739 B13R0.336 C=CCCCCSCCCCCCF 62a_100015922095_100011215482 [0,0,0,0,0,0|3,0,0]=3 740 B13R0.336 C=CCCCCSCCCCCCO 62a_100000766143_100011215482 [0,0,0,0,0,0|3,0,0]=3 741 B13R0.336 C=CCCCCSCCCCCCO 62a_100011215482_100000766143 [0,0,0,0,0,0|3,0,0]=3 742 B13R0.336 C=CCCCCSCCOCCCC 62a_100000743108_100011215482 [0,0,0,0,0,0|3,0,0]=3 743 B13R0.336 C=CCCCCSCCOCCCC 62a_100011215482_100000743108 [0,0,0,0,0,0|3,0,0]=3 744 B13R0.336 C=CCCCCSCCOCCOC 62a_100000695917_100011215482 [0,0,0,0,0,0|4,0,0]=4 745 B13R0.336 C=CCCCCSCCOCCOC 62a_100011215482_100000695917 [0,0,0,0,0,0|4,0,0]=4 746 B13R0.336 C=CCCCNCC#CCCCCC 2230a_100000700776_100009816472 [0,0,0,0,0,0|2,0,2]=4 747 B13R0.336 C=CCCCNCC#CCCCCC 34a_100000700776_100009816472 [0,0,0,0,0,0|2,0,2]=4 748 B13R0.336 C=CCCCNCCCCCCC#N 2230a_100000700776_100009813337 [0,0,0,0,0,0|3,0,1]=4 749 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [0,0,0,0,0,0|2,0,0]=2 750 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [0,0,0,0,0,0|2,0,0]=2 751 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [0,0,0,0,0,0|2,0,0]=2 752 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [0,0,0,0,0,0|2,0,0]=2 753 B13R0.336 C=CCCCNCCCCCCCO 2230a_100000700776_100000760002 [0,0,0,0,0,0|3,0,0]=3 754 B13R0.336 C=CCCCNCCCCCCCO 2230a_100011996573_100011713584 [0,0,0,0,0,0|3,0,0]=3 755 B13R0.336 C=CCCCNCCCCCCCO 34a_100000700776_100000760002 [0,0,0,0,0,0|3,0,0]=3 756 B13R0.336 C=CCCCNCCCCCCCO 34a_100011996573_100000757094 [0,0,0,0,0,0|3,0,0]=3 757 B13R0.336 C=CCCCNCCCCCCOC 2230a_100000700776_100011998445 [0,0,0,0,0,0|3,0,0]=3 758 B13R0.336 C=CCCCNCCCCCCOC 34a_100000700776_100011998445 [0,0,0,0,0,0|3,0,0]=3 759 B13R0.336 C=CCCCNCCCOCCCC 2230a_200000211371_100011713584 [0,0,0,0,0,0|3,0,0]=3 760 B13R0.336 C=CCCCNCCCOCCCC 34a_200000211371_100000757094 [0,0,0,0,0,0|3,0,0]=3 761 B13R0.336 C=CCCCNCCCOCCCO 2230a_100011310245_100011713584 [0,0,0,0,0,0|4,0,0]=4 762 B13R0.336 C=CCCCNCCCOCCCO 34a_100011310245_100000757094 [0,0,0,0,0,0|4,0,0]=4 763 B13R0.336 C=CCCCNCCCOCCOC 2230a_100000206027_100011713584 [0,0,0,0,0,0|4,0,0]=4 764 B13R0.336 C=CCCCNCCCOCCOC 2230a_100000700776_100011216529 [0,0,0,0,0,0|4,0,0]=4 765 B13R0.336 C=CCCCNCCCOCCOC 34a_100000206027_100000757094 [0,0,0,0,0,0|4,0,0]=4 766 B13R0.336 C=CCCCNCCCOCCOC 34a_100000700776_100011216529 [0,0,0,0,0,0|4,0,0]=4 767 B13R0.336 C=CCCCNCCOCCOCC 2230a_100000700776_100011211534 [0,0,0,0,0,0|4,0,0]=4 768 B13R0.336 C=CCCCNCCOCCOCC 2230a_100102712874_100011713584 [0,0,0,0,0,0|4,0,0]=4 769 B13R0.336 C=CCCCNCCOCCOCC 34a_100000700776_100011211534 [0,0,0,0,0,0|4,0,0]=4 770 B13R0.336 C=CCCCNCCOCCOCC 34a_100102712874_100000757094 [0,0,0,0,0,0|4,0,0]=4 771 B13R0.336 C=CCCCOC/C=C/CCCCC 34a_100016258190_100000757094 [0,0,0,0,0,0|2,0,2]=4 772 B13R0.336 C=CCCCOC/C=C/CCCCC 7a_100016258190_100000757094 [0,0,0,0,0,0|2,0,2]=4 773 B13R0.336 C=CCCCOCC#CCCCCC 34a_100000758997_100009816472 [0,0,0,0,0,0|2,0,2]=4 774 B13R0.336 C=CCCCOCC#CCCCCC 34a_200000033628_100000757094 [0,0,0,0,0,0|2,0,2]=4 775 B13R0.336 C=CCCCOCC#CCCCCC 7a_100000758997_100009816472 [0,0,0,0,0,0|2,0,2]=4 776 B13R0.336 C=CCCCOCC#CCCCCC 7a_200000033628_100000757094 [0,0,0,0,0,0|2,0,2]=4 777 B13R0.336 C=CCCCOCC/C=C\CCCC 34a_200016286491_100000757094 [0,0,0,0,0,0|2,0,2]=4 778 B13R0.336 C=CCCCOCC/C=C\CCCC 7a_200016286491_100000757094 [0,0,0,0,0,0|2,0,2]=4 779 B13R0.336 C=CCCCOCCC#CCCCC 34a_100000037610_100000757094 [0,0,0,0,0,0|2,0,2]=4 780 B13R0.336 C=CCCCOCCC#CCCCC 7a_100000037610_100000757094 [0,0,0,0,0,0|2,0,2]=4 781 B13R0.336 C=CCCCOCCCC/C=C\CC 34a_100016287862_100000757094 [0,0,0,0,0,0|2,0,2]=4 782 B13R0.336 C=CCCCOCCCC/C=C\CC 7a_100016287862_100000757094 [0,0,0,0,0,0|2,0,2]=4 783 B13R0.336 C=CCCCOCCCCCCC#N 7a_100000758997_100009813337 [0,0,0,0,0,0|3,0,1]=4 784 B13R0.336 C=CCCCOCCCCCCCBr 34a_100000760002_100000757094 [0,0,0,0,0,0|3,0,0]=3 785 B13R0.336 C=CCCCOCCCCCCCBr 7a_100000760002_100000757094 [0,0,0,0,0,0|3,0,0]=3 786 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [0,0,0,0,0,0|2,0,0]=2 787 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [0,0,0,0,0,0|2,0,0]=2 788 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [0,0,0,0,0,0|2,0,0]=2 789 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [0,0,0,0,0,0|2,0,0]=2 790 B13R0.336 C=CCCCOCCCCCCCN 34a_100011996573_100000757094 [0,0,0,0,0,0|3,0,0]=3 791 B13R0.336 C=CCCCOCCCCCCCO 34a_100000758997_100000760002 [0,0,0,0,0,0|3,0,0]=3 792 B13R0.336 C=CCCCOCCCCCCCO 7a_100000758997_100000760002 [0,0,0,0,0,0|3,0,0]=3 793 B13R0.336 C=CCCCOCCCCCCOC 34a_100000758997_100011998445 [0,0,0,0,0,0|3,0,0]=3 794 B13R0.336 C=CCCCOCCCCCCOC 34a_200012092642_100000757094 [0,0,0,0,0,0|3,0,0]=3 795 B13R0.336 C=CCCCOCCCCCCOC 7a_100000758997_100011998445 [0,0,0,0,0,0|3,0,0]=3 796 B13R0.336 C=CCCCOCCCCCCOC 7a_200012092642_100000757094 [0,0,0,0,0,0|3,0,0]=3 797 B13R0.336 C=CCCCOCCCOCCCC 34a_200011215613_100000757094 [0,0,0,0,0,0|3,0,0]=3 798 B13R0.336 C=CCCCOCCCOCCCC 7a_200011215613_100000757094 [0,0,0,0,0,0|3,0,0]=3 799 B13R0.336 C=CCCCOCCCOCCCN 34a_100011310245_100000757094 [0,0,0,0,0,0|4,0,0]=4 800 B13R0.336 C=CCCCOCCCOCCOC 34a_100000758997_100011216529 [0,0,0,0,0,0|4,0,0]=4 801 B13R0.336 C=CCCCOCCCOCCOC 7a_100000758997_100011216529 [0,0,0,0,0,0|4,0,0]=4 802 B13R0.336 C=CCCCOCCNCCCCC 34a_100000224656_100000757094 [0,0,0,0,0,0|3,0,0]=3 803 B13R0.336 C=CCCCOCCOCCCCC 34a_100011215259_100000757094 [0,0,0,0,0,0|3,0,0]=3 804 B13R0.336 C=CCCCOCCOCCCCC 7a_100011215259_100000757094 [0,0,0,0,0,0|3,0,0]=3 805 B13R0.336 C=CCCCOCCOCCOCC 34a_100000210240_100000757094 [0,0,0,0,0,0|4,0,0]=4 806 B13R0.336 C=CCCCOCCOCCOCC 34a_100000758997_100011211534 [0,0,0,0,0,0|4,0,0]=4 807 B13R0.336 C=CCCCOCCOCCOCC 7a_100000210240_100000757094 [0,0,0,0,0,0|4,0,0]=4 808 B13R0.336 C=CCCCOCCOCCOCC 7a_100000758997_100011211534 [0,0,0,0,0,0|4,0,0]=4 809 B13R0.336 C=CCCCSCC#CCCCCC 62a_100009816472_100000757094 [0,0,0,0,0,0|2,0,2]=4 810 B13R0.336 C=CCCCSCC#CCCCCC 62a_100011713584_100009816472 [0,0,0,0,0,0|2,0,2]=4 811 B13R0.336 C=CCCCSCCCCCCC#N 62a_100009813337_100000757094 [0,0,0,0,0,0|3,0,1]=4 812 B13R0.336 C=CCCCSCCCCCCC#N 62a_100011713584_100009813337 [0,0,0,0,0,0|3,0,1]=4 813 B13R0.336 C=CCCCSCCCCCCCC 62a_100000210759_100000757094 [0,0,0,0,0,0|2,0,0]=2 814 B13R0.336 C=CCCCSCCCCCCCC 62a_100011713584_100000210317 [0,0,0,0,0,0|2,0,0]=2 815 B13R0.336 C=CCCCSCCCCCCCO 62a_100000760002_100000757094 [0,0,0,0,0,0|3,0,0]=3 816 B13R0.336 C=CCCCSCCCCCCCO 62a_100011713584_100000760002 [0,0,0,0,0,0|3,0,0]=3 817 B13R0.336 C=CCCCSCCCCCCOC 62a_100011713584_100011998445 [0,0,0,0,0,0|3,0,0]=3 818 B13R0.336 C=CCCCSCCCCCCOC 62a_100011998445_100000757094 [0,0,0,0,0,0|3,0,0]=3 819 B13R0.336 C=CCCCSCCCOCCOC 62a_100011216529_100000757094 [0,0,0,0,0,0|4,0,0]=4 820 B13R0.336 C=CCCCSCCCOCCOC 62a_100011713584_100011216529 [0,0,0,0,0,0|4,0,0]=4 821 B13R0.336 C=CCCCSCCOCCOCC 62a_100011211534_100000757094 [0,0,0,0,0,0|4,0,0]=4 822 B13R0.336 C=CCCCSCCOCCOCC 62a_100011713584_100011211534 [0,0,0,0,0,0|4,0,0]=4 823 B13R0.336 C=CCCNCCCC#CCCCC 2230a_100015191253_200000047210 [0,0,0,0,0,0|2,0,2]=4 824 B13R0.336 C=CCCNCCCCC/C=C\CC 269862a_100015191253_100016288537 [0,0,0,0,0,0|2,0,2]=4 825 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [0,0,0,0,0,0|2,0,0]=2 826 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [0,0,0,0,0,0|2,0,0]=2 827 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [0,0,0,0,0,0|2,0,0]=2 828 B13R0.336 C=CCCNCCCCCCCCO 2230a_100015191253_100000033203 [0,0,0,0,0,0|3,0,0]=3 829 B13R0.336 C=CCCNCCCCCCCCO 2230a_102515433106_100000754431 [0,0,0,0,0,0|3,0,0]=3 830 B13R0.336 C=CCCNCCCCCCCCO 34a_102515433106_100000754431 [0,0,0,0,0,0|3,0,0]=3 831 B13R0.336 C=CCCNCCOCCOCCC 2230a_200011904461_100000754431 [0,0,0,0,0,0|4,0,0]=4 832 B13R0.336 C=CCCNCCOCCOCCC 34a_200011904461_100000754431 [0,0,0,0,0,0|4,0,0]=4 833 B13R0.336 C=CCCOC/C=C/CCCCCC 34a_200016276170_100000754431 [0,0,0,0,0,0|2,0,2]=4 834 B13R0.336 C=CCCOC/C=C/CCCCCC 7a_200016276170_100000754431 [0,0,0,0,0,0|2,0,2]=4 835 B13R0.336 C=CCCOCC#CCCCCCC 34a_200000037284_100000754431 [0,0,0,0,0,0|2,0,2]=4 836 B13R0.336 C=CCCOCC#CCCCCCC 7a_200000037284_100000754431 [0,0,0,0,0,0|2,0,2]=4 837 B13R0.336 C=CCCOCC/C=C\CCCCC 34a_100016277358_100000754431 [0,0,0,0,0,0|2,0,2]=4 838 B13R0.336 C=CCCOCC/C=C\CCCCC 7a_100016277358_100000754431 [0,0,0,0,0,0|2,0,2]=4 839 B13R0.336 C=CCCOCCC#CCCCCC 34a_200000042877_100000754431 [0,0,0,0,0,0|2,0,2]=4 840 B13R0.336 C=CCCOCCC#CCCCCC 7a_200000042877_100000754431 [0,0,0,0,0,0|2,0,2]=4 841 B13R0.336 C=CCCOCCCC#CCCCC 34a_100011205117_200000047210 [0,0,0,0,0,0|2,0,2]=4 842 B13R0.336 C=CCCOCCCCC/C=C\CC 34a_100016268722_100000754431 [0,0,0,0,0,0|2,0,2]=4 843 B13R0.336 C=CCCOCCCCC/C=C\CC 7a_100016268722_100000754431 [0,0,0,0,0,0|2,0,2]=4 844 B13R0.336 C=CCCOCCCCCCCCBr 34a_100009813846_100000754431 [0,0,0,0,0,0|3,0,0]=3 845 B13R0.336 C=CCCOCCCCCCCCBr 7a_100009813846_100000754431 [0,0,0,0,0,0|3,0,0]=3 846 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [0,0,0,0,0,0|2,0,0]=2 847 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [0,0,0,0,0,0|2,0,0]=2 848 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [0,0,0,0,0,0|2,0,0]=2 849 B13R0.336 C=CCCOCCCCCCCCCl 34a_100000033203_100000754431 [0,0,0,0,0,0|3,0,0]=3 850 B13R0.336 C=CCCOCCCCCCCCCl 7a_100000033203_100000754431 [0,0,0,0,0,0|3,0,0]=3 851 B13R0.336 C=CCCOCCCCCCCCN 34a_102515433106_100000754431 [0,0,0,0,0,0|3,0,0]=3 852 B13R0.336 C=CCCOCCCCCCCCO 34a_100011205117_100000033203 [0,0,0,0,0,0|3,0,0]=3 853 B13R0.336 C=CCCOCCCCCNCCN 34a_103619048469_100000754431 [0,0,0,0,0,0|4,0,0]=4 854 B13R0.336 C=CCCOCCCCNCCCC 34a_200011216965_100000754431 [0,0,0,0,0,0|3,0,0]=3 855 B13R0.336 C=CCCOCCCCOCCCC 34a_200000760531_100000754431 [0,0,0,0,0,0|3,0,0]=3 856 B13R0.336 C=CCCOCCCCOCCCC 7a_200000760531_100000754431 [0,0,0,0,0,0|3,0,0]=3 857 B13R0.336 C=CCCOCCCOCCCOC 34a_200011215475_100000754431 [0,0,0,0,0,0|4,0,0]=4 858 B13R0.336 C=CCCOCCCOCCCOC 7a_200011215475_100000754431 [0,0,0,0,0,0|4,0,0]=4 859 B13R0.336 C=CCCOCCOCCCCCC 34a_100000691444_100000754431 [0,0,0,0,0,0|3,0,0]=3 860 B13R0.336 C=CCCOCCOCCCCCC 7a_100000691444_100000754431 [0,0,0,0,0,0|3,0,0]=3 861 B13R0.336 C=CCCSCCCC#CCCCC 62a_100000754431_200000047210 [0,0,0,0,0,0|2,0,2]=4 862 B13R0.336 C=CCCSCCCC#CCCCC 62a_200000047210_100000754431 [0,0,0,0,0,0|2,0,2]=4 863 B13R0.336 C=CCCSCCCCCCCCC 62a_100000754431_100000210670 [0,0,0,0,0,0|2,0,0]=2 864 B13R0.336 C=CCCSCCCCCCCCO 62a_100000033203_100000754431 [0,0,0,0,0,0|3,0,0]=3 865 B13R0.336 C=CCCSCCCCCCCCO 62a_100000754431_100000033203 [0,0,0,0,0,0|3,0,0]=3 866 B13R0.336 C=CCNCCCCCCC#CCC 2230a_100020586998_200000036426 [0,0,0,0,0,0|2,0,2]=4 867 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [0,0,0,0,0,0|2,0,0]=2 868 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [0,0,0,0,0,0|2,0,0]=2 869 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [0,0,0,0,0,0|2,0,0]=2 870 B13R0.336 C=CCNCCCCCCCCCO 2230a_100000078944_100000210623 [0,0,0,0,0,0|3,0,0]=3 871 B13R0.336 C=CCNCCCCCCCCCO 2230a_100020586998_100009813782 [0,0,0,0,0,0|3,0,0]=3 872 B13R0.336 C=CCNCCCCCCCCCO 34a_100000078944_100015514636 [0,0,0,0,0,0|3,0,0]=3 873 B13R0.336 C=CCOCC#CCCCCCCC 34a_200000061759_100015514636 [0,0,0,0,0,0|2,0,2]=4 874 B13R0.336 C=CCOCC#CCCCCCCC 7a_200000061759_100015514636 [0,0,0,0,0,0|2,0,2]=4 875 B13R0.336 C=CCOCCC#CCCCCCC 34a_200000033163_100015514636 [0,0,0,0,0,0|2,0,2]=4 876 B13R0.336 C=CCOCCC#CCCCCCC 7a_200000033163_100015514636 [0,0,0,0,0,0|2,0,2]=4 877 B13R0.336 C=CCOCCC/C=C\CCCCC 34a_100020655193_100015514636 [0,0,0,0,0,0|2,0,2]=4 878 B13R0.336 C=CCOCCC/C=C\CCCCC 7a_100020655193_100015514636 [0,0,0,0,0,0|2,0,2]=4 879 B13R0.336 C=CCOCCCC/C=C/CCCC 34a_200020645093_100015514636 [0,0,0,0,0,0|2,0,2]=4 880 B13R0.336 C=CCOCCCC/C=C/CCCC 7a_200020645093_100015514636 [0,0,0,0,0,0|2,0,2]=4 881 B13R0.336 C=CCOCCCCC#CCCCC 34a_200000066234_100015514636 [0,0,0,0,0,0|2,0,2]=4 882 B13R0.336 C=CCOCCCCC#CCCCC 7a_200000066234_100015514636 [0,0,0,0,0,0|2,0,2]=4 883 B13R0.336 C=CCOCCCCCCC#CCC 34a_200000210373_200000036426 [0,0,0,0,0,0|2,0,2]=4 884 B13R0.336 C=CCOCCCCCCCCCBr 34a_100009813782_100015514636 [0,0,0,0,0,0|3,0,0]=3 885 B13R0.336 C=CCOCCCCCCCCCBr 7a_100009813782_100015514636 [0,0,0,0,0,0|3,0,0]=3 886 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [0,0,0,0,0,0|2,0,0]=2 887 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [0,0,0,0,0,0|2,0,0]=2 888 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [0,0,0,0,0,0|2,0,0]=2 889 B13R0.336 C=CCOCCCCCCCCCCl 34a_100009868337_100015514636 [0,0,0,0,0,0|3,0,0]=3 890 B13R0.336 C=CCOCCCCCCCCCCl 7a_100009868337_100015514636 [0,0,0,0,0,0|3,0,0]=3 891 B13R0.336 C=CCOCCCCCCCCCN 34a_100000078944_100015514636 [0,0,0,0,0,0|3,0,0]=3 892 B13R0.336 C=CCOCCCCCCCCCO 34a_200000210373_100009813782 [0,0,0,0,0,0|3,0,0]=3 893 B13R0.336 C=CCOCCOCCCCCC=O 7a_100000037705_100000139337 [0,0,0,0,0,0|2,0,2]=4 894 B13R0.336 C=CCOCCOCCCCCCC 34a_100000037705_100000210614 [0,0,0,0,0,0|3,0,0]=3 895 B13R0.336 C=CCOCCOCCCCCCC 7a_100000037705_100000210614 [0,0,0,0,0,0|3,0,0]=3 896 B13R0.336 C=CCOCCOCCCCCCF 34a_100000037705_100015922095 [0,0,0,0,0,0|4,0,0]=4 897 B13R0.336 C=CCOCCOCCCCCCF 7a_100000037705_100015922095 [0,0,0,0,0,0|4,0,0]=4 898 B13R0.336 C=CCOCCOCCCCCCO 34a_100000037705_100000766143 [0,0,0,0,0,0|4,0,0]=4 899 B13R0.336 C=CCOCCOCCCCCCO 7a_100000037705_100000766143 [0,0,0,0,0,0|4,0,0]=4 900 B13R0.336 C=CCOCCOCCOCCCC 34a_100000037705_100000743108 [0,0,0,0,0,0|4,0,0]=4 901 B13R0.336 C=CCOCCOCCOCCCC 34a_100000065479_100000210210 [0,0,0,0,0,0|4,0,0]=4 902 B13R0.336 C=CCOCCOCCOCCCC 34a_100011215186_100015514636 [0,0,0,0,0,0|4,0,0]=4 903 B13R0.336 C=CCOCCOCCOCCCC 7a_100000037705_100000743108 [0,0,0,0,0,0|4,0,0]=4 904 B13R0.336 C=CCOCCOCCOCCCC 7a_100000065479_100000210211 [0,0,0,0,0,0|4,0,0]=4 905 B13R0.336 C=CCOCCOCCOCCCC 7a_100011215186_100015514636 [0,0,0,0,0,0|4,0,0]=4 906 B13R0.336 C=CCSCCCCCCC#CCC 62a_100000210623_200000036426 [0,0,0,0,0,0|2,0,2]=4 907 B13R0.336 C=CCSCCCCCCC#CCC 62a_200000036426_100000210623 [0,0,0,0,0,0|2,0,2]=4 908 B13R0.336 C=CCSCCCCCCCCCC 62a_100000210623_100000210320 [0,0,0,0,0,0|2,0,0]=2 909 B13R0.336 C=CCSCCCCCCCCCO 62a_100000210623_100009813782 [0,0,0,0,0,0|3,0,0]=3 910 B13R0.336 C=CCSCCCCCCCCCO 62a_100009813782_100000210623 [0,0,0,0,0,0|3,0,0]=3 911 B13R0.336 C=COCCCCOCCCCC=O 7a_100000031558_100000139335 [0,0,0,0,0,0|2,0,2]=4 912 B13R0.336 C=COCCCCOCCCCCC 34a_100000031558_100000210314 [0,0,0,0,0,0|3,0,0]=3 913 B13R0.336 C=COCCCCOCCCCCC 7a_100000031558_100000210314 [0,0,0,0,0,0|3,0,0]=3 914 B13R0.336 C=COCCCCOCCCCCF 34a_100000031558_100000729378 [0,0,0,0,0,0|4,0,0]=4 915 B13R0.336 C=COCCCCOCCCCCF 7a_100000031558_100000729378 [0,0,0,0,0,0|4,0,0]=4 916 B13R0.336 C=COCCCCOCCCCCO 34a_100000031558_100000746330 [0,0,0,0,0,0|4,0,0]=4 917 B13R0.336 C=COCCCCOCCCCCO 7a_100000031558_100000746330 [0,0,0,0,0,0|4,0,0]=4 918 B13R0.336 C=COCCCCOCCCCOC 34a_100000031558_100000755781 [0,0,0,0,0,0|4,0,0]=4 919 B13R0.336 C=COCCCCOCCCCOC 7a_100000031558_100000730899 [0,0,0,0,0,0|4,0,0]=4 920 B13R0.336 C=COCCCCOCCCOCC 34a_100000031558_100012232248 [0,0,0,0,0,0|4,0,0]=4 921 B13R0.336 C=COCCCCOCCCOCC 7a_100000031558_100012232248 [0,0,0,0,0,0|4,0,0]=4 922 B13R0.336 C=COCCCCOCCOCCC 34a_100000031558_100011215938 [0,0,0,0,0,0|4,0,0]=4 923 B13R0.336 C=COCCCCOCCOCCC 7a_100000031558_100011215938 [0,0,0,0,0,0|4,0,0]=4 924 B13R0.336 C=COCCCCOCOCCCC 34a_100000031558_100011995733 [0,0,0,0,0,0|4,0,0]=4 925 B13R0.336 C=COCCCNCCCCCC=O 2230a_100000210767_100000139337 [0,0,0,0,0,0|2,0,2]=4 926 B13R0.336 C=COCCCNCCCCCCC 2230a_100000210767_100000210681 [0,0,0,0,0,0|3,0,0]=3 927 B13R0.336 C=COCCCNCCCCCCC 34a_100000210767_100000210614 [0,0,0,0,0,0|3,0,0]=3 928 B13R0.336 C=COCCCNCCCCCCF 2230a_100000210767_100015922095 [0,0,0,0,0,0|4,0,0]=4 929 B13R0.336 C=COCCCNCCCCCCF 34a_100000210767_100015922095 [0,0,0,0,0,0|4,0,0]=4 930 B13R0.336 C=COCCCNCCCCCCO 2230a_100000210767_100000766143 [0,0,0,0,0,0|4,0,0]=4 931 B13R0.336 C=COCCCNCCCCCCO 34a_100000210767_100000766143 [0,0,0,0,0,0|4,0,0]=4 932 B13R0.336 C=COCCCNCCOCCCC 2230a_100000210767_100000743108 [0,0,0,0,0,0|4,0,0]=4 933 B13R0.336 C=COCCCNCCOCCCC 34a_100000210767_100000743108 [0,0,0,0,0,0|4,0,0]=4 934 B13R0.336 C=COCCNCCCCCCCC 2230a_100000229939_100000039644 [0,0,0,0,0,0|3,0,0]=3 935 B13R0.336 C=COCCNCCCCCCCC 34a_100000229939_100000039644 [0,0,0,0,0,0|3,0,0]=3 936 B13R0.336 C=COCCNCCCCCCCO 2230a_100011996573_100000039644 [0,0,0,0,0,0|4,0,0]=4 937 B13R0.336 C=COCCNCCCCCCCO 34a_100011996573_100000039644 [0,0,0,0,0,0|4,0,0]=4 938 B13R0.336 C=COCCNCCCOCCCC 2230a_200000211371_100000039644 [0,0,0,0,0,0|4,0,0]=4 939 B13R0.336 C=COCCNCCCOCCCC 34a_200000211371_100000039644 [0,0,0,0,0,0|4,0,0]=4 940 B13R0.336 C=COCCOCCCCCCCBr 34a_100000760002_100000039644 [0,0,0,0,0,0|4,0,0]=4 941 B13R0.336 C=COCCOCCCCCCCBr 7a_100000760002_100000039644 [0,0,0,0,0,0|4,0,0]=4 942 B13R0.336 C=COCCOCCCCCCCC 34a_100000033082_100000210759 [0,0,0,0,0,0|3,0,0]=3 943 B13R0.336 C=COCCOCCCCCCCC 34a_100000210232_100000039644 [0,0,0,0,0,0|3,0,0]=3 944 B13R0.336 C=COCCOCCCCCCCC 7a_100000210232_100000039644 [0,0,0,0,0,0|3,0,0]=3 945 B13R0.336 C=COCCOCCCCCCCN 34a_100011996573_100000039644 [0,0,0,0,0,0|4,0,0]=4 946 B13R0.336 C=COCCOCCCCCCCO 34a_100000033082_100000760002 [0,0,0,0,0,0|4,0,0]=4 947 B13R0.336 C=COCCOCCCCCCOC 34a_100000033082_100011998445 [0,0,0,0,0,0|4,0,0]=4 948 B13R0.336 C=COCCOCCCCCCOC 34a_200012092642_100000039644 [0,0,0,0,0,0|4,0,0]=4 949 B13R0.336 C=COCCOCCCCCCOC 7a_200012092642_100000039644 [0,0,0,0,0,0|4,0,0]=4 950 B13R0.336 C=COCCOCCCOCCCC 34a_200011215613_100000039644 [0,0,0,0,0,0|4,0,0]=4 951 B13R0.336 C=COCCOCCCOCCCC 7a_200011215613_100000039644 [0,0,0,0,0,0|4,0,0]=4 952 B13R0.336 C=COCCOCCNCCCCC 34a_100000224656_100000039644 [0,0,0,0,0,0|4,0,0]=4 953 B13R0.336 C=COCCOCCOCCCCC 34a_100000039918_100000718602 [0,0,0,0,0,0|4,0,0]=4 954 B13R0.336 C=COCCOCCOCCCCC 34a_100011215259_100000039644 [0,0,0,0,0,0|4,0,0]=4 955 B13R0.336 C=COCCOCCOCCCCC 7a_100000039918_100000210326 [0,0,0,0,0,0|4,0,0]=4 956 B13R0.336 C=COCCOCCOCCCCC 7a_100011215259_100000039644 [0,0,0,0,0,0|4,0,0]=4 957 B13R0.336 C=COCCSCCCCCCCC 62a_100000039644_100000210317 [0,0,0,0,0,0|3,0,0]=3 958 B13R0.336 C=COCCSCCCCCCCC 62a_100000210759_100000039644 [0,0,0,0,0,0|3,0,0]=3 959 B13R0.336 C=COCCSCCCCCCCO 62a_100000039644_100000760002 [0,0,0,0,0,0|4,0,0]=4 960 B13R0.336 C=COCCSCCCCCCCO 62a_100000760002_100000039644 [0,0,0,0,0,0|4,0,0]=4 961 B13R0.336 C=COCCSCCCCCCOC 62a_100000039644_100011998445 [0,0,0,0,0,0|4,0,0]=4 962 B13R0.336 C=COCCSCCCCCCOC 62a_100011998445_100000039644 [0,0,0,0,0,0|4,0,0]=4 963 B13R0.336 CC#CCCOCCCCCCCC 34a_100000750427_100000210759 [0,0,0,0,0,0|2,0,2]=4 964 B13R0.336 CC#CCNCCCCCCCCC 2230a_100000212291_100000748600 [0,0,0,0,0,0|2,0,2]=4 965 B13R0.336 CC#CCNCCCCCCCCC 2230a_100000685387_100011214924 [0,0,0,0,0,0|2,0,2]=4 966 B13R0.336 CC#CCNCCCCCCCCC 34a_100000212291_100000748600 [0,0,0,0,0,0|2,0,2]=4 967 B13R0.336 CC#CCNCCCCCCCCC 34a_100000685387_100011214924 [0,0,0,0,0,0|2,0,2]=4 968 B13R0.336 CC#CCOCCCCCCCCC 34a_100000210712_100000748600 [0,0,0,0,0,0|2,0,2]=4 969 B13R0.336 CC#CCOCCCCCCCCC 34a_100000761923_100011214924 [0,0,0,0,0,0|2,0,2]=4 970 B13R0.336 CC#CCOCCCCCCCCC 7a_100000210712_100000748600 [0,0,0,0,0,0|2,0,2]=4 971 B13R0.336 CC#CCSCCCCCCCCC 62a_100000748600_100000210670 [0,0,0,0,0,0|2,0,2]=4 972 B13R0.336 CC/C=C/CCCOCCCCC=O 7a_100016287902_100000139335 [0,0,0,0,0,0|1,0,2]=3 973 B13R0.336 CC/C=C\CCCCOCCCC=O 7a_100016287862_200011292268 [0,0,0,0,0,0|1,0,2]=3 974 B13R0.336 CC/C=C\CCOCCCCCC=O 7a_100016288707_100000139337 [0,0,0,0,0,0|1,0,2]=3 975 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100000139337_100015370543 [0,0,0,0,0,0|1,0,2]=3 976 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100015370543_100000139337 [0,0,0,0,0,0|1,0,2]=3 977 B13R0.336 CC=C=CCCOCCCCCCC 34a_100011020354_100000210614 [0,0,0,0,0,0|2,0,2]=4 978 B13R0.336 CC=CCCCOCCCCCCC 34a_100020645299_100000210614 [0,0,0,0,0,0|2,0,1]=3 979 B13R0.336 CC=CCCCOCCCCCCF 34a_100020645299_100015922095 [0,0,0,0,0,0|3,0,1]=4 980 B13R0.336 CC=CCCCOCCCCCCO 34a_100020645299_100000766143 [0,0,0,0,0,0|3,0,1]=4 981 B13R0.336 CC=CCCCOCCOCCCC 34a_100020645299_100000743108 [0,0,0,0,0,0|3,0,1]=4 982 B13R0.336 CC=CCNCCCCCCCCC 2230a_100000212291_100000070051 [0,0,0,0,0,0|2,0,1]=3 983 B13R0.336 CC=CCNCCCCCCCCC 34a_100000212291_100000070051 [0,0,0,0,0,0|2,0,1]=3 984 B13R0.336 CC=CCNCCCCCCCCO 2230a_102515433106_100000070051 [0,0,0,0,0,0|3,0,1]=4 985 B13R0.336 CC=CCNCCCCCCCCO 34a_102515433106_100000070051 [0,0,0,0,0,0|3,0,1]=4 986 B13R0.336 CC=CCOCCCCCCCCBr 34a_100009813846_100000070051 [0,0,0,0,0,0|3,0,1]=4 987 B13R0.336 CC=CCOCCCCCCCCBr 7a_100009813846_100000070051 [0,0,0,0,0,0|3,0,1]=4 988 B13R0.336 CC=CCOCCCCCCCCC 34a_100000210712_100000070051 [0,0,0,0,0,0|2,0,1]=3 989 B13R0.336 CC=CCOCCCCCCCCC 7a_100000210712_100000070051 [0,0,0,0,0,0|2,0,1]=3 990 B13R0.336 CC=CCOCCCCCCCCCl 34a_100000033203_100000070051 [0,0,0,0,0,0|3,0,1]=4 991 B13R0.336 CC=CCOCCCCCCCCCl 7a_100000033203_100000070051 [0,0,0,0,0,0|3,0,1]=4 992 B13R0.336 CC=CCOCCCCCCCCN 34a_102515433106_100000070051 [0,0,0,0,0,0|3,0,1]=4 993 B13R0.336 CC=CCOCCCCNCCCC 34a_200011216965_100000070051 [0,0,0,0,0,0|3,0,1]=4 994 B13R0.336 CC=CCOCCCCOCCCC 34a_200000760531_100000070051 [0,0,0,0,0,0|3,0,1]=4 995 B13R0.336 CC=CCOCCCCOCCCC 7a_200000760531_100000070051 [0,0,0,0,0,0|3,0,1]=4 996 B13R0.336 CC=CCOCCOCCCCCC 34a_100000691444_100000070051 [0,0,0,0,0,0|3,0,1]=4 997 B13R0.336 CC=CCOCCOCCCCCC 7a_100000691444_100000070051 [0,0,0,0,0,0|3,0,1]=4 998 B13R0.336 CC=CCSCCCCCCCCC 62a_100000070051_100000210670 [0,0,0,0,0,0|2,0,1]=3 999 B13R0.336 CC=CCSCCCCCCCCO 62a_100000033203_100000070051 [0,0,0,0,0,0|3,0,1]=4 1000 B13R0.336 CC=CCSCCCCCCCCO 62a_100000070051_100000033203 [0,0,0,0,0,0|3,0,1]=4 1001 B13R0.336 CCC#CCCCCCCCCOC 34a_200000031908_200000210301 [0,0,0,0,0,0|2,0,2]=4 1002 B13R0.336 CCC#CCCCCCCCCOC 7a_200000031908_200000210301 [0,0,0,0,0,0|2,0,2]=4 1003 B13R0.336 CCC#CCCCCCCCCO[13CH3] 34a_200000031908_200025704644 [0,0,0,0,0,0|2,0,2]=4 1004 B13R0.336 CCC#CCCCCCCCCO[13CH3] 7a_200000031908_200025704644 [0,0,0,0,0,0|2,0,2]=4 1005 B13R0.336 CCC#CCCCCCCSCC=O 62a_200000036426_200015260668 [0,0,0,0,0,0|1,0,2]=3 1006 B13R0.336 CCC#CCCCCCCSCC=O 62a_200015260668_200000036426 [0,0,0,0,0,0|1,0,2]=3 1007 B13R0.336 CCC#CCCOCCCCCC=O 7a_100000036655_100000139337 [0,0,0,0,0,0|1,0,2]=3 1008 B13R0.336 CCC/C=C/COCCCCCC=O 7a_100016278788_100000139337 [0,0,0,0,0,0|1,0,2]=3 1009 B13R0.336 CCCC#CCCOCCCCC=O 7a_100000042726_100000139335 [0,0,0,0,0,0|1,0,2]=3 1010 B13R0.336 CCCC#CCOCCCCCC=O 7a_100000034806_100000139337 [0,0,0,0,0,0|1,0,2]=3 1011 B13R0.336 CCCC/C=C/CCCCOCC=O 34a_200020645093_200009817547 [0,0,0,0,0,0|1,0,2]=3 1012 B13R0.336 CCCC/C=C/CCCCOCC=O 7a_200020645093_200015260668 [0,0,0,0,0,0|1,0,2]=3 1013 B13R0.336 CCCC/C=C/COCCCCC=O 7a_200016272032_100000139335 [0,0,0,0,0,0|1,0,2]=3 1014 B13R0.336 CCCC/C=C\CCOCCCC=O 7a_200016286491_200011292268 [0,0,0,0,0,0|1,0,2]=3 1015 B13R0.336 CCCCC#CCCCCCCNC 2230a_106832991635_200000043322 [0,0,0,0,0,0|2,0,2]=4 1016 B13R0.336 CCCCC#CCCCCCCNC 34a_100102657272_200000043322 [0,0,0,0,0,0|2,0,2]=4 1017 B13R0.336 CCCCC#CCCCCCCNC 7a_106832991635_200000043322 [0,0,0,0,0,0|2,0,2]=4 1018 B13R0.336 CCCCC#CCCCCCCOC 34a_100138415774_200000043322 [0,0,0,0,0,0|2,0,2]=4 1019 B13R0.336 CCCCC#CCCCCCCSC 62a_200000043322_200000210301 [0,0,0,0,0,0|2,0,2]=4 1020 B13R0.336 CCCCC#CCCCCCCSC 62a_200000210301_200000043322 [0,0,0,0,0,0|2,0,2]=4 1021 B13R0.336 CCCCC#CCCCCCCS[13CH3] 62a_200000043322_200025704644 [0,0,0,0,0,0|2,0,2]=4 1022 B13R0.336 CCCCC#CCCCCCCS[13CH3] 62a_200025704644_200000043322 [0,0,0,0,0,0|2,0,2]=4 1023 B13R0.336 CCCCC#CCCCCOCC=O 34a_200000066234_200009817547 [0,0,0,0,0,0|1,0,2]=3 1024 B13R0.336 CCCCC#CCCCCOCC=O 7a_200000066234_200015260668 [0,0,0,0,0,0|1,0,2]=3 1025 B13R0.336 CCCCC#CCCOCCCC=O 7a_100000037610_200011292268 [0,0,0,0,0,0|1,0,2]=3 1026 B13R0.336 CCCCC#CCOCCCCC=O 7a_200000034558_100000139335 [0,0,0,0,0,0|1,0,2]=3 1027 B13R0.336 CCCCC/C=C/COCCCC=O 7a_100016258190_200011292268 [0,0,0,0,0,0|1,0,2]=3 1028 B13R0.336 CCCCC/C=C\CCCOCC=O 34a_100020655193_200009817547 [0,0,0,0,0,0|1,0,2]=3 1029 B13R0.336 CCCCC/C=C\CCCOCC=O 7a_100020655193_200015260668 [0,0,0,0,0,0|1,0,2]=3 1030 B13R0.336 CCCCCC#CCOCCCC=O 7a_200000033628_200011292268 [0,0,0,0,0,0|1,0,2]=3 1031 B13R0.336 CCCCCC#CCSCCCC=O 62a_100009816472_200011292268 [0,0,0,0,0,0|1,0,2]=3 1032 B13R0.336 CCCCCC#CCSCCCC=O 62a_200011292268_100009816472 [0,0,0,0,0,0|1,0,2]=3 1033 B13R0.336 CCCCCCC#CCCOCC=O 34a_200000033163_200009817547 [0,0,0,0,0,0|1,0,2]=3 1034 B13R0.336 CCCCCCC#CCCOCC=O 7a_200000033163_200015260668 [0,0,0,0,0,0|1,0,2]=3 1035 B13R0.336 CCCCCCCC#CCOCC=O 34a_200000061759_200009817547 [0,0,0,0,0,0|1,0,2]=3 1036 B13R0.336 CCCCCCCC#CCOCC=O 7a_200000061759_200015260668 [0,0,0,0,0,0|1,0,2]=3 1037 B13R0.336 CCCCCCCCC/C=C/COC 34a_100015232335_200000210301 [0,0,0,0,0,0|2,0,2]=4 1038 B13R0.336 CCCCCCCCC/C=C/COC 7a_100015232335_200000210301 [0,0,0,0,0,0|2,0,2]=4 1039 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 34a_100015232335_200025704644 [0,0,0,0,0,0|2,0,2]=4 1040 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 7a_100015232335_200025704644 [0,0,0,0,0,0|2,0,2]=4 1041 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [0,0,0,0,0,0|2,0,0]=2 1042 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [0,0,0,0,0,0|2,0,0]=2 1043 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [0,0,0,0,0,0|2,0,0]=2 1044 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [0,0,0,0,0,0|2,0,0]=2 1045 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [0,0,0,0,0,0|2,0,0]=2 1046 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [0,0,0,0,0,0|2,0,0]=2 1047 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [0,0,0,0,0,0|2,0,0]=2 1048 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [0,0,0,0,0,0|2,0,0]=2 1049 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [0,0,0,0,0,0|2,0,0]=2 1050 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [0,0,0,0,0,0|2,0,0]=2 1051 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [0,0,0,0,0,0|2,0,0]=2 1052 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [0,0,0,0,0,0|2,0,0]=2 1053 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [0,0,0,0,0,0|2,0,0]=2 1054 B13R0.336 CCCCCCCCCCCCSC 62a_200000210301_100000759014 [0,0,0,0,0,0|2,0,0]=2 1055 B13R0.336 CCCCCCCCCCCCS[13CH3] 62a_200025704644_100000759014 [0,0,0,0,0,0|2,0,0]=2 1056 B13R0.336 CCCCCCCCCCCNCC 2230a_100015525214_100011215454 [0,0,0,0,0,0|2,0,1]=3 1057 B13R0.336 CCCCCCCCCCCNCC 2230a_200011215754_100000210202 [0,0,0,0,0,0|2,0,1]=3 1058 B13R0.336 CCCCCCCCCCCNCC 34a_200011215754_100000210202 [0,0,0,0,0,0|2,0,1]=3 1059 B13R0.336 CCCCCCCCCCCNCF 34a_200011215754_100015361967 [0,0,0,0,0,0|2,0,1]=3 1060 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [0,0,0,0,0,0|2,0,1]=3 1061 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [0,0,0,0,0,0|2,0,1]=3 1062 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [0,0,0,0,0,0|2,0,1]=3 1063 B13R0.336 CCCCCCCCCCCOCF 34a_100000210809_100015361967 [0,0,0,0,0,0|2,0,1]=3 1064 B13R0.336 CCCCCCCCCCCOCF 7a_100000210809_100015361967 [0,0,0,0,0,0|2,0,1]=3 1065 B13R0.336 CCCCCCCCCCCSCC 62a_100000210202_100011215454 [0,0,0,0,0,0|2,0,1]=3 1066 B13R0.336 CCCCCCCCCCCSCF 62a_100015361967_100011215454 [0,0,0,0,0,0|2,0,1]=3 1067 B13R0.336 CCCCCCCCCCNCC#N 2230a_100000684558_100011215382 [0,0,0,0,0,0|2,0,1]=3 1068 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [0,0,0,0,0,0|1,0,0]=1 1069 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [0,0,0,0,0,0|1,0,0]=1 1070 B13R0.336 CCCCCCCCCCNCCC 2230a_100000684558_100000210303 [0,0,0,0,0,0|2,0,1]=3 1071 B13R0.336 CCCCCCCCCCNCCC 34a_100000684558_100000210303 [0,0,0,0,0,0|2,0,1]=3 1072 B13R0.336 CCCCCCCCCCNCCF 2230a_100000684558_100011217306 [0,0,0,0,0,0|2,0,1]=3 1073 B13R0.336 CCCCCCCCCCNCCF 34a_100000684558_100011217306 [0,0,0,0,0,0|2,0,1]=3 1074 B13R0.336 CCCCCCCCCCNCCF 34a_100000724931_100000210320 [0,0,0,0,0,0|2,0,1]=3 1075 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [0,0,0,0,0,0|1,0,2]=3 1076 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [0,0,0,0,0,0|1,0,2]=3 1077 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [0,0,0,0,0,0|1,0,2]=3 1078 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [0,0,0,0,0,0|1,0,2]=3 1079 B13R0.336 CCCCCCCCCCNCOC 2230a_100000684558_100000766300 [0,0,0,0,0,0|3,0,0]=3 1080 B13R0.336 CCCCCCCCCCNCSC 2230a_100000684558_100011218213 [0,0,0,0,0,0|3,0,0]=3 1081 B13R0.336 CCCCCCCCCCNCSC 34a_100000684558_100011218213 [0,0,0,0,0,0|3,0,0]=3 1082 B13R0.336 CCCCCCCCCCOCC#N 7a_100000210711_100011215382 [0,0,0,0,0,0|2,0,1]=3 1083 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [0,0,0,0,0,0|1,0,0]=1 1084 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [0,0,0,0,0,0|1,0,0]=1 1085 B13R0.336 CCCCCCCCCCOCCBr 34a_100000211926_100000210320 [0,0,0,0,0,0|2,0,1]=3 1086 B13R0.336 CCCCCCCCCCOCCC 34a_100000210258_100000210320 [0,0,0,0,0,0|2,0,1]=3 1087 B13R0.336 CCCCCCCCCCOCCC 34a_100000210711_100000210303 [0,0,0,0,0,0|2,0,1]=3 1088 B13R0.336 CCCCCCCCCCOCCC 7a_100000210711_100000210303 [0,0,0,0,0,0|2,0,1]=3 1089 B13R0.336 CCCCCCCCCCOCCF 34a_100000210711_100011217306 [0,0,0,0,0,0|2,0,1]=3 1090 B13R0.336 CCCCCCCCCCOCCF 7a_100000210711_100011217306 [0,0,0,0,0,0|2,0,1]=3 1091 B13R0.336 CCCCCCCCCCOCCN 34a_100000210304_100000210320 [0,0,0,0,0,0|2,0,1]=3 1092 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [0,0,0,0,0,0|1,0,2]=3 1093 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [0,0,0,0,0,0|1,0,2]=3 1094 B13R0.336 CCCCCCCCCCOCSC 34a_100000210711_100011218213 [0,0,0,0,0,0|3,0,0]=3 1095 B13R0.336 CCCCCCCCCCSCC#N 62a_100011215382_100000210320 [0,0,0,0,0,0|2,0,1]=3 1096 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [0,0,0,0,0,0|1,0,0]=1 1097 B13R0.336 CCCCCCCCCCSCCC 62a_100000210303_100000210320 [0,0,0,0,0,0|2,0,1]=3 1098 B13R0.336 CCCCCCCCCCSCCF 62a_100011217306_100000210320 [0,0,0,0,0,0|2,0,1]=3 1099 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [0,0,0,0,0,0|1,0,2]=3 1100 B13R0.336 CCCCCCCCCCSCOC 62a_100000766300_100000210320 [0,0,0,0,0,0|3,0,0]=3 1101 B13R0.336 CCCCCCCCCCSCSC 62a_100011218213_100000210320 [0,0,0,0,0,0|3,0,0]=3 1102 B13R0.336 CCCCCCCCCNCCC#N 2230a_100000212291_100011215226 [0,0,0,0,0,0|2,0,1]=3 1103 B13R0.336 CCCCCCCCCNCCCC 2230a_100000102301_100011214924 [0,0,0,0,0,0|2,0,1]=3 1104 B13R0.336 CCCCCCCCCNCCCC 2230a_100000212291_100000210211 [0,0,0,0,0,0|2,0,1]=3 1105 B13R0.336 CCCCCCCCCNCCCC 34a_100000212291_100000210210 [0,0,0,0,0,0|2,0,1]=3 1106 B13R0.336 CCCCCCCCCNCCCC 7a_106832991798_100000210328 [0,0,0,0,0,0|2,0,1]=3 1107 B13R0.336 CCCCCCCCCNCCCF 2230a_100000212291_100011934791 [0,0,0,0,0,0|2,0,1]=3 1108 B13R0.336 CCCCCCCCCNCCCF 2230a_100015189416_100011214924 [0,0,0,0,0,0|2,0,1]=3 1109 B13R0.336 CCCCCCCCCNCCCF 34a_100000212291_100011934791 [0,0,0,0,0,0|2,0,1]=3 1110 B13R0.336 CCCCCCCCCNCCCF 34a_100015189416_100011214924 [0,0,0,0,0,0|2,0,1]=3 1111 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [0,0,0,0,0,0|1,0,2]=3 1112 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [0,0,0,0,0,0|1,0,2]=3 1113 B13R0.336 CCCCCCCCCNCCOC 2230a_100000209980_100011214924 [0,0,0,0,0,0|3,0,0]=3 1114 B13R0.336 CCCCCCCCCNCCOC 2230a_100000212291_100011201679 [0,0,0,0,0,0|3,0,0]=3 1115 B13R0.336 CCCCCCCCCNCCOC 34a_100000212291_100011201679 [0,0,0,0,0,0|3,0,0]=3 1116 B13R0.336 CCCCCCCCCNCCSC 2230a_100000212291_100000751147 [0,0,0,0,0,0|3,0,0]=3 1117 B13R0.336 CCCCCCCCCNCCSC 2230a_100020590264_100011214924 [0,0,0,0,0,0|3,0,0]=3 1118 B13R0.336 CCCCCCCCCNCCSC 34a_100000212291_100000212216 [0,0,0,0,0,0|3,0,0]=3 1119 B13R0.336 CCCCCCCCCOCCC#N 7a_100000210712_100000184422 [0,0,0,0,0,0|2,0,1]=3 1120 B13R0.336 CCCCCCCCCOCCCBr 34a_100011217188_100011214924 [0,0,0,0,0,0|2,0,1]=3 1121 B13R0.336 CCCCCCCCCOCCCC 34a_100000210227_100011214924 [0,0,0,0,0,0|2,0,1]=3 1122 B13R0.336 CCCCCCCCCOCCCC 34a_100000210712_100000210210 [0,0,0,0,0,0|2,0,1]=3 1123 B13R0.336 CCCCCCCCCOCCCC 7a_100000210227_100000210328 [0,0,0,0,0,0|2,0,1]=3 1124 B13R0.336 CCCCCCCCCOCCCC 7a_100000210712_100000210211 [0,0,0,0,0,0|2,0,1]=3 1125 B13R0.336 CCCCCCCCCOCCCCl 34a_100000230001_100011214924 [0,0,0,0,0,0|2,0,1]=3 1126 B13R0.336 CCCCCCCCCOCCCF 34a_100000210712_100011934791 [0,0,0,0,0,0|2,0,1]=3 1127 B13R0.336 CCCCCCCCCOCCCF 34a_100000759539_100011214924 [0,0,0,0,0,0|2,0,1]=3 1128 B13R0.336 CCCCCCCCCOCCCF 7a_100000210712_100011934791 [0,0,0,0,0,0|2,0,1]=3 1129 B13R0.336 CCCCCCCCCOCCCN 34a_100000182051_100011214924 [0,0,0,0,0,0|2,0,1]=3 1130 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [0,0,0,0,0,0|1,0,2]=3 1131 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [0,0,0,0,0,0|1,0,2]=3 1132 B13R0.336 CCCCCCCCCOCCOC 34a_100000210237_100011214924 [0,0,0,0,0,0|3,0,0]=3 1133 B13R0.336 CCCCCCCCCOCCOC 34a_100000210712_100011201679 [0,0,0,0,0,0|3,0,0]=3 1134 B13R0.336 CCCCCCCCCOCCOC 7a_100000210712_100000233755 [0,0,0,0,0,0|3,0,0]=3 1135 B13R0.336 CCCCCCCCCOCCON 34a_100000700252_100011214924 [0,0,0,0,0,0|3,0,0]=3 1136 B13R0.336 CCCCCCCCCOCCSC 34a_100000210712_100000212216 [0,0,0,0,0,0|3,0,0]=3 1137 B13R0.336 CCCCCCCCCOCCSC 34a_100000230434_100011214924 [0,0,0,0,0,0|3,0,0]=3 1138 B13R0.336 CCCCCCCCCOCCSC 7a_100000210712_100000212216 [0,0,0,0,0,0|3,0,0]=3 1139 B13R0.336 CCCCCCCCCOCCSC 7a_100000230434_100000210328 [0,0,0,0,0,0|3,0,0]=3 1140 B13R0.336 CCCCCCCCCSCCC#N 62a_100011215226_100000210670 [0,0,0,0,0,0|2,0,1]=3 1141 B13R0.336 CCCCCCCCCSCCCC 62a_100000210211_100000210670 [0,0,0,0,0,0|2,0,1]=3 1142 B13R0.336 CCCCCCCCCSCCCF 62a_100011934791_100000210670 [0,0,0,0,0,0|2,0,1]=3 1143 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [0,0,0,0,0,0|1,0,2]=3 1144 B13R0.336 CCCCCCCCCSCCOC 62a_100000233755_100000210670 [0,0,0,0,0,0|3,0,0]=3 1145 B13R0.336 CCCCCCCCCSCCSC 62a_100000212216_100000210670 [0,0,0,0,0,0|3,0,0]=3 1146 B13R0.336 CCCCCCCCCSCOCC 62a_100000739092_100000210670 [0,0,0,0,0,0|3,0,1]=4 1147 B13R0.336 CCCCCCCCCSCSC#N 62a_100000211825_100000210670 [0,0,0,0,0,0|3,0,1]=4 1148 B13R0.336 CCCCCCCCNCCCC#N 2230a_100000229939_100000687738 [0,0,0,0,0,0|2,0,1]=3 1149 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [0,0,0,0,0,0|1,0,0]=1 1150 B13R0.336 CCCCCCCCNCCCCC 2230a_100000209983_100000210759 [0,0,0,0,0,0|2,0,1]=3 1151 B13R0.336 CCCCCCCCNCCCCC 2230a_100000229939_100000210326 [0,0,0,0,0,0|2,0,1]=3 1152 B13R0.336 CCCCCCCCNCCCCC 34a_100000229939_100000718602 [0,0,0,0,0,0|2,0,1]=3 1153 B13R0.336 CCCCCCCCNCCCCF 2230a_100000229939_100000729493 [0,0,0,0,0,0|2,0,1]=3 1154 B13R0.336 CCCCCCCCNCCCCF 34a_100000229939_100000729493 [0,0,0,0,0,0|2,0,1]=3 1155 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [0,0,0,0,0,0|1,0,2]=3 1156 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [0,0,0,0,0,0|1,0,2]=3 1157 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [0,0,0,0,0,0|1,0,2]=3 1158 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [0,0,0,0,0,0|1,0,2]=3 1159 B13R0.336 CCCCCCCCNCCCOC 2230a_100000229939_100000740836 [0,0,0,0,0,0|3,0,0]=3 1160 B13R0.336 CCCCCCCCNCCCOC 34a_100000229939_100000740836 [0,0,0,0,0,0|3,0,0]=3 1161 B13R0.336 CCCCCCCCNCCCOC 34a_100150723488_100000210759 [0,0,0,0,0,0|3,0,0]=3 1162 B13R0.336 CCCCCCCCNCCCSC 2230a_100000749238_100000210759 [0,0,0,0,0,0|3,0,0]=3 1163 B13R0.336 CCCCCCCCNCCOCC 2230a_100000229939_100011215890 [0,0,0,0,0,0|3,0,1]=4 1164 B13R0.336 CCCCCCCCNCCOCC 2230a_102516460346_100000210759 [0,0,0,0,0,0|3,0,1]=4 1165 B13R0.336 CCCCCCCCNCCOCC 34a_100000229939_100000210147 [0,0,0,0,0,0|3,0,1]=4 1166 B13R0.336 CCCCCCCCNCCOCC 34a_102516460346_100000210759 [0,0,0,0,0,0|3,0,1]=4 1167 B13R0.336 CCCCCCCCNCCSCC 2230a_100000106463_100000210759 [0,0,0,0,0,0|3,0,1]=4 1168 B13R0.336 CCCCCCCCNCCSCC 2230a_100000229939_100000757381 [0,0,0,0,0,0|3,0,1]=4 1169 B13R0.336 CCCCCCCCNCCSCC 34a_100000229939_100000757381 [0,0,0,0,0,0|3,0,1]=4 1170 B13R0.336 CCCCCCCCOCCCC#N 7a_100000210232_100000687738 [0,0,0,0,0,0|2,0,1]=3 1171 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [0,0,0,0,0,0|1,0,0]=1 1172 B13R0.336 CCCCCCCCOCCCCBr 34a_100011216708_100000210759 [0,0,0,0,0,0|2,0,1]=3 1173 B13R0.336 CCCCCCCCOCCCCC 34a_100000210232_100000718602 [0,0,0,0,0,0|2,0,1]=3 1174 B13R0.336 CCCCCCCCOCCCCC 34a_100000210253_100000210759 [0,0,0,0,0,0|2,0,1]=3 1175 B13R0.336 CCCCCCCCOCCCCC 7a_100000210232_100000210326 [0,0,0,0,0,0|2,0,1]=3 1176 B13R0.336 CCCCCCCCOCCCCC 7a_100000210253_100000210759 [0,0,0,0,0,0|2,0,1]=3 1177 B13R0.336 CCCCCCCCOCCCCCl 34a_100000210776_100000210759 [0,0,0,0,0,0|2,0,1]=3 1178 B13R0.336 CCCCCCCCOCCCCCl 7a_100000210776_100000210759 [0,0,0,0,0,0|2,0,1]=3 1179 B13R0.336 CCCCCCCCOCCCCF 34a_100000210232_100000729493 [0,0,0,0,0,0|2,0,1]=3 1180 B13R0.336 CCCCCCCCOCCCCF 34a_100011995726_100000210759 [0,0,0,0,0,0|2,0,1]=3 1181 B13R0.336 CCCCCCCCOCCCCF 7a_100000210232_100000729493 [0,0,0,0,0,0|2,0,1]=3 1182 B13R0.336 CCCCCCCCOCCCCF 7a_100011995726_100000210759 [0,0,0,0,0,0|2,0,1]=3 1183 B13R0.336 CCCCCCCCOCCCCI 34a_200012148704_100000210759 [0,0,0,0,0,0|2,0,1]=3 1184 B13R0.336 CCCCCCCCOCCCCN 34a_100000750430_100000210759 [0,0,0,0,0,0|2,0,1]=3 1185 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [0,0,0,0,0,0|1,0,2]=3 1186 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [0,0,0,0,0,0|1,0,2]=3 1187 B13R0.336 CCCCCCCCOCCCNC 34a_100000213112_100000210759 [0,0,0,0,0,0|3,0,0]=3 1188 B13R0.336 CCCCCCCCOCCCOC 34a_100000210232_100000740836 [0,0,0,0,0,0|3,0,0]=3 1189 B13R0.336 CCCCCCCCOCCCOC 34a_100000740835_100000210759 [0,0,0,0,0,0|3,0,0]=3 1190 B13R0.336 CCCCCCCCOCCCOC 7a_100000210232_100000740836 [0,0,0,0,0,0|3,0,0]=3 1191 B13R0.336 CCCCCCCCOCCCSC 34a_100000690336_100000210759 [0,0,0,0,0,0|3,0,0]=3 1192 B13R0.336 CCCCCCCCOCCCSC 7a_100000690336_100000210759 [0,0,0,0,0,0|3,0,0]=3 1193 B13R0.336 CCCCCCCCOCCOCC 34a_100000210136_100000210759 [0,0,0,0,0,0|3,0,1]=4 1194 B13R0.336 CCCCCCCCOCCOCC 34a_100000210232_100000210147 [0,0,0,0,0,0|3,0,1]=4 1195 B13R0.336 CCCCCCCCOCCOCC 7a_100000210136_100000210759 [0,0,0,0,0,0|3,0,1]=4 1196 B13R0.336 CCCCCCCCOCCOCC 7a_100000210232_100011215890 [0,0,0,0,0,0|3,0,1]=4 1197 B13R0.336 CCCCCCCCOCCSCC 34a_100000210232_100000757381 [0,0,0,0,0,0|3,0,1]=4 1198 B13R0.336 CCCCCCCCOCCSCC 34a_100000212035_100000210759 [0,0,0,0,0,0|3,0,1]=4 1199 B13R0.336 CCCCCCCCOCCSCC 7a_100000210232_100000757381 [0,0,0,0,0,0|3,0,1]=4 1200 B13R0.336 CCCCCCCCOCCSCC 7a_100000212035_100000210759 [0,0,0,0,0,0|3,0,1]=4 1201 B13R0.336 CCCCCCCCSCCCC#N 62a_100000210759_100000687738 [0,0,0,0,0,0|2,0,1]=3 1202 B13R0.336 CCCCCCCCSCCCC#N 62a_100000687738_100000210317 [0,0,0,0,0,0|2,0,1]=3 1203 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [0,0,0,0,0,0|1,0,0]=1 1204 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [0,0,0,0,0,0|1,0,0]=1 1205 B13R0.336 CCCCCCCCSCCCCC 62a_100000210326_100000210317 [0,0,0,0,0,0|2,0,1]=3 1206 B13R0.336 CCCCCCCCSCCCCC 62a_100000210759_100000210326 [0,0,0,0,0,0|2,0,1]=3 1207 B13R0.336 CCCCCCCCSCCCCF 62a_100000210759_100000729493 [0,0,0,0,0,0|2,0,1]=3 1208 B13R0.336 CCCCCCCCSCCCCF 62a_100000729493_100000210317 [0,0,0,0,0,0|2,0,1]=3 1209 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [0,0,0,0,0,0|1,0,2]=3 1210 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [0,0,0,0,0,0|1,0,2]=3 1211 B13R0.336 CCCCCCCCSCCCOC 62a_100000210759_100000709357 [0,0,0,0,0,0|3,0,0]=3 1212 B13R0.336 CCCCCCCCSCCCOC 62a_100000709357_100000210317 [0,0,0,0,0,0|3,0,0]=3 1213 B13R0.336 CCCCCCCCSCCOCC 62a_100000210147_100000210317 [0,0,0,0,0,0|3,0,1]=4 1214 B13R0.336 CCCCCCCCSCCOCC 62a_100000210759_100011215890 [0,0,0,0,0,0|3,0,1]=4 1215 B13R0.336 CCCCCCCCSCCSC#N 62a_100000034367_100000210317 [0,0,0,0,0,0|3,0,1]=4 1216 B13R0.336 CCCCCCCCSCCSC#N 62a_100000210759_100000034367 [0,0,0,0,0,0|3,0,1]=4 1217 B13R0.336 CCCCCCCCSCCSCC 62a_100000210759_100000757381 [0,0,0,0,0,0|3,0,1]=4 1218 B13R0.336 CCCCCCCCSCCSCC 62a_100000757381_100000210317 [0,0,0,0,0,0|3,0,1]=4 1219 B13R0.336 CCCCCCCNCCCCC#N 2230a_100000229938_100000211819 [0,0,0,0,0,0|2,0,1]=3 1220 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [0,0,0,0,0,0|1,0,0]=1 1221 B13R0.336 CCCCCCCNCCCCCC 2230a_100000210581_100000210681 [0,0,0,0,0,0|2,0,1]=3 1222 B13R0.336 CCCCCCCNCCCCCC 2230a_100000229938_100000210314 [0,0,0,0,0,0|2,0,1]=3 1223 B13R0.336 CCCCCCCNCCCCCF 2230a_100000229938_100000729378 [0,0,0,0,0,0|2,0,1]=3 1224 B13R0.336 CCCCCCCNCCCCCO 2230a_100000229938_100000746330 [0,0,0,0,0,0|1,0,2]=3 1225 B13R0.336 CCCCCCCNCCCCCO 2230a_100000762737_100000210681 [0,0,0,0,0,0|1,0,2]=3 1226 B13R0.336 CCCCCCCNCCCCCO 34a_100000762737_100000210614 [0,0,0,0,0,0|1,0,2]=3 1227 B13R0.336 CCCCCCCNCCCCOC 2230a_100000229938_100000730899 [0,0,0,0,0,0|3,0,0]=3 1228 B13R0.336 CCCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210681 [0,0,0,0,0,0|4,0,0]=4 1229 B13R0.336 CCCCCCCNCCCOCC 2230a_100000210961_100000210681 [0,0,0,0,0,0|3,0,1]=4 1230 B13R0.336 CCCCCCCNCCCOCC 2230a_100000229938_100012232248 [0,0,0,0,0,0|3,0,1]=4 1231 B13R0.336 CCCCCCCNCCCOCC 34a_100000210961_100000210614 [0,0,0,0,0,0|3,0,1]=4 1232 B13R0.336 CCCCCCCNCCOCC#N 2230a_100000229938_200000047693 [0,0,0,0,0,0|3,0,1]=4 1233 B13R0.336 CCCCCCCNCCOCCC 2230a_100000229938_100011215938 [0,0,0,0,0,0|3,0,1]=4 1234 B13R0.336 CCCCCCCNCCOCCC 2230a_100161115042_100000210681 [0,0,0,0,0,0|3,0,1]=4 1235 B13R0.336 CCCCCCCNCCOCCC 34a_100161115042_100000210614 [0,0,0,0,0,0|3,0,1]=4 1236 B13R0.336 CCCCCCCNCCOCCO 2230a_100000211614_100000210681 [0,0,0,0,0,0|2,0,2]=4 1237 B13R0.336 CCCCCCCNCCOCCO 2230a_100000229938_100011215305 [0,0,0,0,0,0|2,0,2]=4 1238 B13R0.336 CCCCCCCNCCOCCO 34a_100000211614_100000210614 [0,0,0,0,0,0|2,0,2]=4 1239 B13R0.336 CCCCCCCNCCSCCC 2230a_100020603323_100000210681 [0,0,0,0,0,0|3,0,1]=4 1240 B13R0.336 CCCCCCCNCCSCCO 2230a_100011219999_100000210681 [0,0,0,0,0,0|2,0,2]=4 1241 B13R0.336 CCCCCCCNCOCCCC 2230a_100000229938_100011995733 [0,0,0,0,0,0|3,0,1]=4 1242 B13R0.336 CCCCCCCNCOCCOC 2230a_100000229938_100000231047 [0,0,0,0,0,0|4,0,0]=4 1243 B13R0.336 CCCCCCCOCCCCC#N 7a_100000210272_100000211819 [0,0,0,0,0,0|2,0,1]=3 1244 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [0,0,0,0,0,0|1,0,0]=1 1245 B13R0.336 CCCCCCCOCCCCCBr 34a_100000746331_100000210614 [0,0,0,0,0,0|2,0,1]=3 1246 B13R0.336 CCCCCCCOCCCCCBr 7a_100000746331_100000210614 [0,0,0,0,0,0|2,0,1]=3 1247 B13R0.336 CCCCCCCOCCCCCC 34a_100000210259_100000210614 [0,0,0,0,0,0|2,0,1]=3 1248 B13R0.336 CCCCCCCOCCCCCC 34a_100000210272_100000210314 [0,0,0,0,0,0|2,0,1]=3 1249 B13R0.336 CCCCCCCOCCCCCC 7a_100000210259_100000210614 [0,0,0,0,0,0|2,0,1]=3 1250 B13R0.336 CCCCCCCOCCCCCC 7a_100000210272_100000210314 [0,0,0,0,0,0|2,0,1]=3 1251 B13R0.336 CCCCCCCOCCCCCCl 34a_100000746330_100000210614 [0,0,0,0,0,0|2,0,1]=3 1252 B13R0.336 CCCCCCCOCCCCCCl 7a_100000746330_100000210614 [0,0,0,0,0,0|2,0,1]=3 1253 B13R0.336 CCCCCCCOCCCCCF 34a_100000210272_100000729378 [0,0,0,0,0,0|2,0,1]=3 1254 B13R0.336 CCCCCCCOCCCCCF 7a_100000210272_100000729378 [0,0,0,0,0,0|2,0,1]=3 1255 B13R0.336 CCCCCCCOCCCCCI 34a_200012148887_100000210614 [0,0,0,0,0,0|2,0,1]=3 1256 B13R0.336 CCCCCCCOCCCCCI 7a_200012148887_100000210614 [0,0,0,0,0,0|2,0,1]=3 1257 B13R0.336 CCCCCCCOCCCCCN 34a_100000762737_100000210614 [0,0,0,0,0,0|2,0,1]=3 1258 B13R0.336 CCCCCCCOCCCCCO 34a_100000210272_100000746330 [0,0,0,0,0,0|1,0,2]=3 1259 B13R0.336 CCCCCCCOCCCCCO 7a_100000210272_100000746330 [0,0,0,0,0,0|1,0,2]=3 1260 B13R0.336 CCCCCCCOCCCCOC 34a_100000210272_100000755781 [0,0,0,0,0,0|3,0,0]=3 1261 B13R0.336 CCCCCCCOCCCCOC 34a_100000740925_100000210614 [0,0,0,0,0,0|3,0,0]=3 1262 B13R0.336 CCCCCCCOCCCCOC 7a_100000210272_100000730899 [0,0,0,0,0,0|3,0,0]=3 1263 B13R0.336 CCCCCCCOCCCCSC 34a_100011217163_100000210614 [0,0,0,0,0,0|3,0,0]=3 1264 B13R0.336 CCCCCCCOCCCCSC 7a_100011217163_100000210614 [0,0,0,0,0,0|3,0,0]=3 1265 B13R0.336 CCCCCCCOCCCOCC 34a_100000210272_100012232248 [0,0,0,0,0,0|3,0,1]=4 1266 B13R0.336 CCCCCCCOCCCOCC 34a_100000757476_100000210614 [0,0,0,0,0,0|3,0,1]=4 1267 B13R0.336 CCCCCCCOCCCOCC 7a_100000210272_100012232248 [0,0,0,0,0,0|3,0,1]=4 1268 B13R0.336 CCCCCCCOCCCOCC 7a_100000757476_100000210614 [0,0,0,0,0,0|3,0,1]=4 1269 B13R0.336 CCCCCCCOCCCSCC 34a_100011216438_100000210614 [0,0,0,0,0,0|3,0,1]=4 1270 B13R0.336 CCCCCCCOCCCSCC 7a_100011216438_100000210614 [0,0,0,0,0,0|3,0,1]=4 1271 B13R0.336 CCCCCCCOCCOCC#N 7a_100000210272_200000047693 [0,0,0,0,0,0|3,0,1]=4 1272 B13R0.336 CCCCCCCOCCOCCBr 34a_100000692535_100000210614 [0,0,0,0,0,0|3,0,1]=4 1273 B13R0.336 CCCCCCCOCCOCCBr 7a_100000692535_100000210614 [0,0,0,0,0,0|3,0,1]=4 1274 B13R0.336 CCCCCCCOCCOCCC 34a_100000210272_100011215938 [0,0,0,0,0,0|3,0,1]=4 1275 B13R0.336 CCCCCCCOCCOCCC 34a_100000752267_100000210614 [0,0,0,0,0,0|3,0,1]=4 1276 B13R0.336 CCCCCCCOCCOCCC 7a_100000210272_100011215938 [0,0,0,0,0,0|3,0,1]=4 1277 B13R0.336 CCCCCCCOCCOCCC 7a_100000752267_100000210614 [0,0,0,0,0,0|3,0,1]=4 1278 B13R0.336 CCCCCCCOCCOCCCl 34a_100011215305_100000210614 [0,0,0,0,0,0|3,0,1]=4 1279 B13R0.336 CCCCCCCOCCOCCCl 7a_100011215305_100000210614 [0,0,0,0,0,0|3,0,1]=4 1280 B13R0.336 CCCCCCCOCCOCCF 34a_200015357709_100000210614 [0,0,0,0,0,0|3,0,1]=4 1281 B13R0.336 CCCCCCCOCCOCCF 7a_200015357709_100000210614 [0,0,0,0,0,0|3,0,1]=4 1282 B13R0.336 CCCCCCCOCCOCCI 34a_100012149058_100000210614 [0,0,0,0,0,0|3,0,1]=4 1283 B13R0.336 CCCCCCCOCCOCCI 7a_100012149058_100000210614 [0,0,0,0,0,0|3,0,1]=4 1284 B13R0.336 CCCCCCCOCCOCCN 34a_100000211614_100000210614 [0,0,0,0,0,0|3,0,1]=4 1285 B13R0.336 CCCCCCCOCCOCCO 34a_100000210272_100000692535 [0,0,0,0,0,0|2,0,2]=4 1286 B13R0.336 CCCCCCCOCCOCCO 7a_100000210272_100011215305 [0,0,0,0,0,0|2,0,2]=4 1287 B13R0.336 CCCCCCCOCCSCCC 34a_200000230433_100000210614 [0,0,0,0,0,0|3,0,1]=4 1288 B13R0.336 CCCCCCCOCCSCCC 7a_200000230433_100000210614 [0,0,0,0,0,0|3,0,1]=4 1289 B13R0.336 CCCCCCCOCOCCCC 34a_100000210272_100011995733 [0,0,0,0,0,0|3,0,1]=4 1290 B13R0.336 CCCCCCCSCCCCC#N 62a_100000210614_100000211819 [0,0,0,0,0,0|2,0,1]=3 1291 B13R0.336 CCCCCCCSCCCCC#N 62a_100011219923_100000210316 [0,0,0,0,0,0|2,0,1]=3 1292 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [0,0,0,0,0,0|1,0,0]=1 1293 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [0,0,0,0,0,0|1,0,0]=1 1294 B13R0.336 CCCCCCCSCCCCCC 62a_100000210314_100000210316 [0,0,0,0,0,0|2,0,1]=3 1295 B13R0.336 CCCCCCCSCCCCCC 62a_100000210614_100000210757 [0,0,0,0,0,0|2,0,1]=3 1296 B13R0.336 CCCCCCCSCCCCCF 62a_100000210614_100000729378 [0,0,0,0,0,0|2,0,1]=3 1297 B13R0.336 CCCCCCCSCCCCCF 62a_100000729378_100000210316 [0,0,0,0,0,0|2,0,1]=3 1298 B13R0.336 CCCCCCCSCCCCCO 62a_100000210614_100000746330 [0,0,0,0,0,0|1,0,2]=3 1299 B13R0.336 CCCCCCCSCCCCCO 62a_100000746330_100000210316 [0,0,0,0,0,0|1,0,2]=3 1300 B13R0.336 CCCCCCCSCCCCOC 62a_100000210614_100000730899 [0,0,0,0,0,0|3,0,0]=3 1301 B13R0.336 CCCCCCCSCCCCOC 62a_100000730899_100000210316 [0,0,0,0,0,0|3,0,0]=3 1302 B13R0.336 CCCCCCCSCCCOCC 62a_100000210614_100012232248 [0,0,0,0,0,0|3,0,1]=4 1303 B13R0.336 CCCCCCCSCCCOCC 62a_100012232248_100000210316 [0,0,0,0,0,0|3,0,1]=4 1304 B13R0.336 CCCCCCCSCCOCC#N 62a_100000210614_200000047693 [0,0,0,0,0,0|3,0,1]=4 1305 B13R0.336 CCCCCCCSCCOCC#N 62a_200000047693_100000210316 [0,0,0,0,0,0|3,0,1]=4 1306 B13R0.336 CCCCCCCSCCOCCC 62a_100000210614_100011215938 [0,0,0,0,0,0|3,0,1]=4 1307 B13R0.336 CCCCCCCSCCOCCC 62a_100011215938_100000210316 [0,0,0,0,0,0|3,0,1]=4 1308 B13R0.336 CCCCCCCSCCOCCO 62a_100000210614_100011215305 [0,0,0,0,0,0|2,0,2]=4 1309 B13R0.336 CCCCCCCSCCOCCO 62a_100011215305_100000210316 [0,0,0,0,0,0|2,0,2]=4 1310 B13R0.336 CCCCCCCSCOCCCC 62a_100000210614_100011995733 [0,0,0,0,0,0|3,0,1]=4 1311 B13R0.336 CCCCCCCSCOCCCC 62a_100011995733_100000210316 [0,0,0,0,0,0|3,0,1]=4 1312 B13R0.336 CCCCCCCSCOCCOC 62a_100000210614_100000231047 [0,0,0,0,0,0|4,0,0]=4 1313 B13R0.336 CCCCCCCSCOCCOC 62a_100000231047_100000210316 [0,0,0,0,0,0|4,0,0]=4 1314 B13R0.336 CCCCCCNCCCCCC#N 2230a_100000210581_100009813376 [0,0,0,0,0,0|2,0,1]=3 1315 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [0,0,0,0,0,0|1,0,0]=1 1316 B13R0.336 CCCCCCNCCCCCCF 2230a_100000210581_100015922095 [0,0,0,0,0,0|2,0,1]=3 1317 B13R0.336 CCCCCCNCCCCCCO 2230a_100000210581_100000766143 [0,0,0,0,0,0|1,0,2]=3 1318 B13R0.336 CCCCCCNCCCCCCO 2230a_100000686447_100000210314 [0,0,0,0,0,0|1,0,2]=3 1319 B13R0.336 CCCCCCNCCCCCCO 34a_100000686447_100000210314 [0,0,0,0,0,0|1,0,2]=3 1320 B13R0.336 CCCCCCNCCCCCOC 2230a_100000747528_100000210314 [0,0,0,0,0,0|3,0,0]=3 1321 B13R0.336 CCCCCCNCCCCCOC 34a_100000747528_100000210314 [0,0,0,0,0,0|3,0,0]=3 1322 B13R0.336 CCCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210314 [0,0,0,0,0,0|4,0,0]=4 1323 B13R0.336 CCCCCCNCCCOCCC 2230a_100011217757_100000210314 [0,0,0,0,0,0|3,0,1]=4 1324 B13R0.336 CCCCCCNCCCOCCC 34a_100011217757_100000210314 [0,0,0,0,0,0|3,0,1]=4 1325 B13R0.336 CCCCCCNCCOCCCC 2230a_100000210581_100000743108 [0,0,0,0,0,0|3,0,1]=4 1326 B13R0.336 CCCCCCNCCOCCOC 2230a_100000210581_100000695917 [0,0,0,0,0,0|4,0,0]=4 1327 B13R0.336 CCCCCCNCCOCCOC 2230a_100000745349_100000210314 [0,0,0,0,0,0|4,0,0]=4 1328 B13R0.336 CCCCCCNCCOCCOC 34a_100000745349_100000210314 [0,0,0,0,0,0|4,0,0]=4 1329 B13R0.336 CCCCCCNCCSCCCC 2230a_100025743550_100000210314 [0,0,0,0,0,0|3,0,1]=4 1330 B13R0.336 CCCCCCOCCCCCC#N 7a_100000210259_100009813376 [0,0,0,0,0,0|2,0,1]=3 1331 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [0,0,0,0,0,0|1,0,0]=1 1332 B13R0.336 CCCCCCOCCCCCCBr 34a_100011215345_100000210314 [0,0,0,0,0,0|2,0,1]=3 1333 B13R0.336 CCCCCCOCCCCCCBr 7a_100011215345_100000210314 [0,0,0,0,0,0|2,0,1]=3 1334 B13R0.336 CCCCCCOCCCCCCCl 34a_100000766143_100000210314 [0,0,0,0,0,0|2,0,1]=3 1335 B13R0.336 CCCCCCOCCCCCCCl 7a_100000766143_100000210314 [0,0,0,0,0,0|2,0,1]=3 1336 B13R0.336 CCCCCCOCCCCCCF 34a_100000210259_100015922095 [0,0,0,0,0,0|2,0,1]=3 1337 B13R0.336 CCCCCCOCCCCCCF 34a_100000732779_100000210314 [0,0,0,0,0,0|2,0,1]=3 1338 B13R0.336 CCCCCCOCCCCCCF 7a_100000210259_100015922095 [0,0,0,0,0,0|2,0,1]=3 1339 B13R0.336 CCCCCCOCCCCCCF 7a_100000732779_100000210314 [0,0,0,0,0,0|2,0,1]=3 1340 B13R0.336 CCCCCCOCCCCCCN 34a_100000686447_100000210314 [0,0,0,0,0,0|2,0,1]=3 1341 B13R0.336 CCCCCCOCCCCCCO 34a_100000210259_100000766143 [0,0,0,0,0,0|1,0,2]=3 1342 B13R0.336 CCCCCCOCCCCCCO 7a_100000210259_100000766143 [0,0,0,0,0,0|1,0,2]=3 1343 B13R0.336 CCCCCCOCCCCCNC 34a_100000722520_100000210314 [0,0,0,0,0,0|3,0,0]=3 1344 B13R0.336 CCCCCCOCCOCCC#N 7a_100000691444_100000184422 [0,0,0,0,0,0|3,0,1]=4 1345 B13R0.336 CCCCCCOCCOCCCC 34a_100000210238_100000210314 [0,0,0,0,0,0|3,0,1]=4 1346 B13R0.336 CCCCCCOCCOCCCC 34a_100000210259_100000743108 [0,0,0,0,0,0|3,0,1]=4 1347 B13R0.336 CCCCCCOCCOCCCC 34a_100000691444_100000210210 [0,0,0,0,0,0|3,0,1]=4 1348 B13R0.336 CCCCCCOCCOCCCC 7a_100000210238_100000210314 [0,0,0,0,0,0|3,0,1]=4 1349 B13R0.336 CCCCCCOCCOCCCC 7a_100000210259_100000743108 [0,0,0,0,0,0|3,0,1]=4 1350 B13R0.336 CCCCCCOCCOCCCC 7a_100000691444_100000210211 [0,0,0,0,0,0|3,0,1]=4 1351 B13R0.336 CCCCCCOCCOCCCF 34a_100000691444_100011934791 [0,0,0,0,0,0|3,0,1]=4 1352 B13R0.336 CCCCCCOCCOCCCF 7a_100000691444_100011934791 [0,0,0,0,0,0|3,0,1]=4 1353 B13R0.336 CCCCCCOCCOCCCO 34a_100000691444_100000230001 [0,0,0,0,0,0|2,0,2]=4 1354 B13R0.336 CCCCCCOCCOCCCO 7a_100000691444_100011215043 [0,0,0,0,0,0|2,0,2]=4 1355 B13R0.336 CCCCCCOCCOCCNC 34a_100000228057_100000210314 [0,0,0,0,0,0|4,0,0]=4 1356 B13R0.336 CCCCCCOCCOCCOC 34a_100000032842_200000210301 [0,0,0,0,0,0|4,0,0]=4 1357 B13R0.336 CCCCCCOCCOCCOC 34a_100000210259_100000695917 [0,0,0,0,0,0|4,0,0]=4 1358 B13R0.336 CCCCCCOCCOCCOC 34a_100000691444_100011201679 [0,0,0,0,0,0|4,0,0]=4 1359 B13R0.336 CCCCCCOCCOCCOC 34a_100011215163_100000210314 [0,0,0,0,0,0|4,0,0]=4 1360 B13R0.336 CCCCCCOCCOCCOC 7a_100000032842_200000210301 [0,0,0,0,0,0|4,0,0]=4 1361 B13R0.336 CCCCCCOCCOCCOC 7a_100000210259_100000695917 [0,0,0,0,0,0|4,0,0]=4 1362 B13R0.336 CCCCCCOCCOCCOC 7a_100000691444_100000233755 [0,0,0,0,0,0|4,0,0]=4 1363 B13R0.336 CCCCCCOCCOCCOC 7a_100011215163_100000210314 [0,0,0,0,0,0|4,0,0]=4 1364 B13R0.336 CCCCCCOCCOCCO[13CH3] 34a_100000032842_200025704644 [0,0,0,0,0,0|4,0,0]=4 1365 B13R0.336 CCCCCCOCCOCCO[13CH3] 7a_100000032842_200025704644 [0,0,0,0,0,0|4,0,0]=4 1366 B13R0.336 CCCCCCOCCOCCSC 34a_100000691444_100000212216 [0,0,0,0,0,0|4,0,0]=4 1367 B13R0.336 CCCCCCOCCOCCSC 7a_100000691444_100000212216 [0,0,0,0,0,0|4,0,0]=4 1368 B13R0.336 CCCCCCOCCSCCCC 34a_200000230436_100000210314 [0,0,0,0,0,0|3,0,1]=4 1369 B13R0.336 CCCCCCOCCSCCCC 7a_200000230436_100000210314 [0,0,0,0,0,0|3,0,1]=4 1370 B13R0.336 CCCCCCSCCCCCC#N 62a_100000210314_100009813376 [0,0,0,0,0,0|2,0,1]=3 1371 B13R0.336 CCCCCCSCCCCCC#N 62a_100009813376_100000210757 [0,0,0,0,0,0|2,0,1]=3 1372 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [0,0,0,0,0,0|1,0,0]=1 1373 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [0,0,0,0,0,0|1,0,0]=1 1374 B13R0.336 CCCCCCSCCCCCCF 62a_100000210314_100015922095 [0,0,0,0,0,0|2,0,1]=3 1375 B13R0.336 CCCCCCSCCCCCCF 62a_100015922095_100000210757 [0,0,0,0,0,0|2,0,1]=3 1376 B13R0.336 CCCCCCSCCCCCCO 62a_100000210314_100000766143 [0,0,0,0,0,0|1,0,2]=3 1377 B13R0.336 CCCCCCSCCCCCCO 62a_100000766143_100000210757 [0,0,0,0,0,0|1,0,2]=3 1378 B13R0.336 CCCCCCSCCOCCCC 62a_100000210314_100000743108 [0,0,0,0,0,0|3,0,1]=4 1379 B13R0.336 CCCCCCSCCOCCCC 62a_100000743108_100000210757 [0,0,0,0,0,0|3,0,1]=4 1380 B13R0.336 CCCCCCSCCOCCOC 62a_100000210314_100000695917 [0,0,0,0,0,0|4,0,0]=4 1381 B13R0.336 CCCCCCSCCOCCOC 62a_100000695917_100000210757 [0,0,0,0,0,0|4,0,0]=4 1382 B13R0.336 CCCCCNCCCCCCC#N 2230a_100000209983_100009813337 [0,0,0,0,0,0|2,0,1]=3 1383 B13R0.336 CCCCCNCCCCCCCO 2230a_100000209983_100000760002 [0,0,0,0,0,0|1,0,2]=3 1384 B13R0.336 CCCCCNCCCCCCCO 2230a_100011996573_100000210326 [0,0,0,0,0,0|1,0,2]=3 1385 B13R0.336 CCCCCNCCCCCCCO 34a_100011996573_100000718602 [0,0,0,0,0,0|1,0,2]=3 1386 B13R0.336 CCCCCNCCCCCCOC 2230a_100000209983_100011998445 [0,0,0,0,0,0|3,0,0]=3 1387 B13R0.336 CCCCCNCCCOCCCC 2230a_200000211371_100000210326 [0,0,0,0,0,0|3,0,1]=4 1388 B13R0.336 CCCCCNCCCOCCCC 34a_200000211371_100000718602 [0,0,0,0,0,0|3,0,1]=4 1389 B13R0.336 CCCCCNCCCOCCCO 2230a_100011310245_100000210326 [0,0,0,0,0,0|2,0,2]=4 1390 B13R0.336 CCCCCNCCCOCCCO 34a_100011310245_100000718602 [0,0,0,0,0,0|2,0,2]=4 1391 B13R0.336 CCCCCNCCCOCCOC 2230a_100000206027_100000210326 [0,0,0,0,0,0|4,0,0]=4 1392 B13R0.336 CCCCCNCCCOCCOC 2230a_100000209983_100011216529 [0,0,0,0,0,0|4,0,0]=4 1393 B13R0.336 CCCCCNCCCOCCOC 34a_100000206027_100000718602 [0,0,0,0,0,0|4,0,0]=4 1394 B13R0.336 CCCCCNCCOCCCCC 34a_100000224656_100000718602 [0,0,0,0,0,0|3,0,1]=4 1395 B13R0.336 CCCCCNCCOCCCCF 34a_100000224656_100000729493 [0,0,0,0,0,0|3,0,1]=4 1396 B13R0.336 CCCCCNCCOCCCCO 34a_100000224656_100011216708 [0,0,0,0,0,0|2,0,2]=4 1397 B13R0.336 CCCCCNCCOCCCOC 34a_100000224656_100000740836 [0,0,0,0,0,0|4,0,0]=4 1398 B13R0.336 CCCCCOCCCCCCC#N 7a_100000210253_100009813337 [0,0,0,0,0,0|2,0,1]=3 1399 B13R0.336 CCCCCOCCCCCCCBr 34a_100000760002_100000718602 [0,0,0,0,0,0|2,0,1]=3 1400 B13R0.336 CCCCCOCCCCCCCBr 7a_100000760002_100000210326 [0,0,0,0,0,0|2,0,1]=3 1401 B13R0.336 CCCCCOCCCCCCCN 34a_100011996573_100000718602 [0,0,0,0,0,0|2,0,1]=3 1402 B13R0.336 CCCCCOCCCCCCCO 34a_100000210253_100000760002 [0,0,0,0,0,0|1,0,2]=3 1403 B13R0.336 CCCCCOCCCCCCCO 7a_100000210253_100000760002 [0,0,0,0,0,0|1,0,2]=3 1404 B13R0.336 CCCCCOCCCCCCOC 34a_100000210253_100011998445 [0,0,0,0,0,0|3,0,0]=3 1405 B13R0.336 CCCCCOCCCCCCOC 34a_200012092642_100000718602 [0,0,0,0,0,0|3,0,0]=3 1406 B13R0.336 CCCCCOCCCCCCOC 7a_100000210253_100011998445 [0,0,0,0,0,0|3,0,0]=3 1407 B13R0.336 CCCCCOCCCCCCOC 7a_200012092642_100000210326 [0,0,0,0,0,0|3,0,0]=3 1408 B13R0.336 CCCCCOCCCOCCCC 34a_200011215613_100000718602 [0,0,0,0,0,0|3,0,1]=4 1409 B13R0.336 CCCCCOCCCOCCCC 7a_200011215613_100000210326 [0,0,0,0,0,0|3,0,1]=4 1410 B13R0.336 CCCCCOCCCOCCCN 34a_100011310245_100000718602 [0,0,0,0,0,0|3,0,1]=4 1411 B13R0.336 CCCCCOCCCOCCOC 34a_100000210253_100011216529 [0,0,0,0,0,0|4,0,0]=4 1412 B13R0.336 CCCCCOCCCOCCOC 7a_100000210253_100011216529 [0,0,0,0,0,0|4,0,0]=4 1413 B13R0.336 CCCCCOCCOCCCC#N 7a_100011215259_100000687738 [0,0,0,0,0,0|3,0,1]=4 1414 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [0,0,0,0,0,0|2,0,0]=2 1415 B13R0.336 CCCCCOCCOCCCCC 34a_100011215259_100000718602 [0,0,0,0,0,0|3,0,1]=4 1416 B13R0.336 CCCCCOCCOCCCCC 7a_100011215259_100000210326 [0,0,0,0,0,0|3,0,1]=4 1417 B13R0.336 CCCCCOCCOCCCCF 34a_100011215259_100000729493 [0,0,0,0,0,0|3,0,1]=4 1418 B13R0.336 CCCCCOCCOCCCCF 7a_100011215259_100000729493 [0,0,0,0,0,0|3,0,1]=4 1419 B13R0.336 CCCCCOCCOCCCCO 34a_100011215259_100011216708 [0,0,0,0,0,0|2,0,2]=4 1420 B13R0.336 CCCCCOCCOCCCCO 7a_100011215259_100000210776 [0,0,0,0,0,0|2,0,2]=4 1421 B13R0.336 CCCCCOCCOCCCOC 34a_100011215259_100000740836 [0,0,0,0,0,0|4,0,0]=4 1422 B13R0.336 CCCCCOCCOCCCOC 7a_100011215259_100000740836 [0,0,0,0,0,0|4,0,0]=4 1423 B13R0.336 CCCCCSCCCCCCC#N 62a_100000210326_100009813337 [0,0,0,0,0,0|2,0,1]=3 1424 B13R0.336 CCCCCSCCCCCCC#N 62a_100009813337_100000210326 [0,0,0,0,0,0|2,0,1]=3 1425 B13R0.336 CCCCCSCCCCCCCO 62a_100000210326_100000760002 [0,0,0,0,0,0|1,0,2]=3 1426 B13R0.336 CCCCCSCCCCCCCO 62a_100000760002_100000210326 [0,0,0,0,0,0|1,0,2]=3 1427 B13R0.336 CCCCCSCCCCCCOC 62a_100000210326_100011998445 [0,0,0,0,0,0|3,0,0]=3 1428 B13R0.336 CCCCCSCCCCCCOC 62a_100011998445_100000210326 [0,0,0,0,0,0|3,0,0]=3 1429 B13R0.336 CCCCCSCCCOCCOC 62a_100000210326_100011216529 [0,0,0,0,0,0|4,0,0]=4 1430 B13R0.336 CCCCCSCCCOCCOC 62a_100011216529_100000210326 [0,0,0,0,0,0|4,0,0]=4 1431 B13R0.336 CCCCNCCCCCCCCO 2230a_100000102301_100000033203 [0,0,0,0,0,0|1,0,2]=3 1432 B13R0.336 CCCCNCCCCCCCCO 2230a_102515433106_100000210211 [0,0,0,0,0,0|1,0,2]=3 1433 B13R0.336 CCCCNCCCCCCCCO 34a_102515433106_100000210210 [0,0,0,0,0,0|1,0,2]=3 1434 B13R0.336 CCCCNCCCCCCCCO 7a_106832991798_100000033203 [0,0,0,0,0,0|1,0,2]=3 1435 B13R0.336 CCCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210211 [0,0,0,0,0,0|4,0,0]=4 1436 B13R0.336 CCCCNCCCCOCCCC 34a_200011216965_100000210210 [0,0,0,0,0,0|3,0,1]=4 1437 B13R0.336 CCCCNCCCCOCCCF 34a_200011216965_100011934791 [0,0,0,0,0,0|3,0,1]=4 1438 B13R0.336 CCCCNCCCCOCCCO 34a_200011216965_100000230001 [0,0,0,0,0,0|2,0,2]=4 1439 B13R0.336 CCCCNCCCCOCCOC 34a_200011216965_100011201679 [0,0,0,0,0,0|4,0,0]=4 1440 B13R0.336 CCCCNCCCCOCCSC 34a_200011216965_100000212216 [0,0,0,0,0,0|4,0,0]=4 1441 B13R0.336 CCCCOCCCCCCCCBr 34a_100009813846_100000210210 [0,0,0,0,0,0|2,0,1]=3 1442 B13R0.336 CCCCOCCCCCCCCBr 7a_100009813846_100000210211 [0,0,0,0,0,0|2,0,1]=3 1443 B13R0.336 CCCCOCCCCCCCCCl 34a_100000033203_100000210210 [0,0,0,0,0,0|2,0,1]=3 1444 B13R0.336 CCCCOCCCCCCCCCl 7a_100000033203_100000210211 [0,0,0,0,0,0|2,0,1]=3 1445 B13R0.336 CCCCOCCCCCCCCN 34a_102515433106_100000210210 [0,0,0,0,0,0|2,0,1]=3 1446 B13R0.336 CCCCOCCCCCCCCO 34a_100000210227_100000033203 [0,0,0,0,0,0|1,0,2]=3 1447 B13R0.336 CCCCOCCCCCCCCO 7a_100000210227_100000033203 [0,0,0,0,0,0|1,0,2]=3 1448 B13R0.336 CCCCOCCCCCNCCN 34a_103619048469_100000210210 [0,0,0,0,0,0|3,0,1]=4 1449 B13R0.336 CCCCOCCCCOCCC#N 7a_200000760531_100000184422 [0,0,0,0,0,0|3,0,1]=4 1450 B13R0.336 CCCCOCCCCOCCCC 34a_200000760531_100000210210 [0,0,0,0,0,0|3,0,1]=4 1451 B13R0.336 CCCCOCCCCOCCCC 7a_200000760531_100000210211 [0,0,0,0,0,0|3,0,1]=4 1452 B13R0.336 CCCCOCCCCOCCCF 34a_200000760531_100011934791 [0,0,0,0,0,0|3,0,1]=4 1453 B13R0.336 CCCCOCCCCOCCCF 7a_200000760531_100011934791 [0,0,0,0,0,0|3,0,1]=4 1454 B13R0.336 CCCCOCCCCOCCCO 34a_200000760531_100000230001 [0,0,0,0,0,0|2,0,2]=4 1455 B13R0.336 CCCCOCCCCOCCCO 7a_200000760531_100011215043 [0,0,0,0,0,0|2,0,2]=4 1456 B13R0.336 CCCCOCCCCOCCOC 34a_200000760531_100011201679 [0,0,0,0,0,0|4,0,0]=4 1457 B13R0.336 CCCCOCCCCOCCOC 7a_200000760531_100000233755 [0,0,0,0,0,0|4,0,0]=4 1458 B13R0.336 CCCCOCCCCOCCSC 34a_200000760531_100000212216 [0,0,0,0,0,0|4,0,0]=4 1459 B13R0.336 CCCCOCCCCOCCSC 7a_200000760531_100000212216 [0,0,0,0,0,0|4,0,0]=4 1460 B13R0.336 CCCCOCCCNCCCC#N 2230a_200000211371_100000687738 [0,0,0,0,0,0|3,0,1]=4 1461 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [0,0,0,0,0,0|2,0,0]=2 1462 B13R0.336 CCCCOCCCNCCCCF 2230a_200000211371_100000729493 [0,0,0,0,0,0|3,0,1]=4 1463 B13R0.336 CCCCOCCCNCCCCF 34a_200000211371_100000729493 [0,0,0,0,0,0|3,0,1]=4 1464 B13R0.336 CCCCOCCCNCCCCO 2230a_200000211371_100000210776 [0,0,0,0,0,0|2,0,2]=4 1465 B13R0.336 CCCCOCCCNCCCCO 34a_200000211371_100011216708 [0,0,0,0,0,0|2,0,2]=4 1466 B13R0.336 CCCCOCCCNCCCOC 2230a_200000211371_100000740836 [0,0,0,0,0,0|4,0,0]=4 1467 B13R0.336 CCCCOCCCNCCCOC 34a_200000211371_100000740836 [0,0,0,0,0,0|4,0,0]=4 1468 B13R0.336 CCCCOCCCOCCCC#N 7a_200011215613_100000687738 [0,0,0,0,0,0|3,0,1]=4 1469 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [0,0,0,0,0,0|2,0,0]=2 1470 B13R0.336 CCCCOCCCOCCCCF 34a_200011215613_100000729493 [0,0,0,0,0,0|3,0,1]=4 1471 B13R0.336 CCCCOCCCOCCCCF 7a_200011215613_100000729493 [0,0,0,0,0,0|3,0,1]=4 1472 B13R0.336 CCCCOCCCOCCCCO 34a_200011215613_100011216708 [0,0,0,0,0,0|2,0,2]=4 1473 B13R0.336 CCCCOCCCOCCCCO 7a_200011215613_100000210776 [0,0,0,0,0,0|2,0,2]=4 1474 B13R0.336 CCCCOCCCOCCCOC 34a_200011215475_100000210210 [0,0,0,0,0,0|4,0,0]=4 1475 B13R0.336 CCCCOCCCOCCCOC 34a_200011215613_100000740836 [0,0,0,0,0,0|4,0,0]=4 1476 B13R0.336 CCCCOCCCOCCCOC 7a_200011215475_100000210211 [0,0,0,0,0,0|4,0,0]=4 1477 B13R0.336 CCCCOCCCOCCCOC 7a_200011215613_100000740836 [0,0,0,0,0,0|4,0,0]=4 1478 B13R0.336 CCCCOCCNCCCCCO 2230a_100000762737_100000743108 [0,0,0,0,0,0|2,0,2]=4 1479 B13R0.336 CCCCOCCNCCCCCO 34a_100000762737_100000743108 [0,0,0,0,0,0|2,0,2]=4 1480 B13R0.336 CCCCOCCOCCCCC#N 7a_100000210238_100000211819 [0,0,0,0,0,0|3,0,1]=4 1481 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [0,0,0,0,0,0|2,0,0]=2 1482 B13R0.336 CCCCOCCOCCCCCBr 34a_100000746331_100000743108 [0,0,0,0,0,0|3,0,1]=4 1483 B13R0.336 CCCCOCCOCCCCCBr 7a_100000746331_100000743108 [0,0,0,0,0,0|3,0,1]=4 1484 B13R0.336 CCCCOCCOCCCCCCl 34a_100000746330_100000743108 [0,0,0,0,0,0|3,0,1]=4 1485 B13R0.336 CCCCOCCOCCCCCCl 7a_100000746330_100000743108 [0,0,0,0,0,0|3,0,1]=4 1486 B13R0.336 CCCCOCCOCCCCCF 34a_100000210238_100000729378 [0,0,0,0,0,0|3,0,1]=4 1487 B13R0.336 CCCCOCCOCCCCCF 7a_100000210238_100000729378 [0,0,0,0,0,0|3,0,1]=4 1488 B13R0.336 CCCCOCCOCCCCCI 34a_200012148887_100000743108 [0,0,0,0,0,0|3,0,1]=4 1489 B13R0.336 CCCCOCCOCCCCCI 7a_200012148887_100000743108 [0,0,0,0,0,0|3,0,1]=4 1490 B13R0.336 CCCCOCCOCCCCCN 34a_100000762737_100000743108 [0,0,0,0,0,0|3,0,1]=4 1491 B13R0.336 CCCCOCCOCCCCCO 34a_100000210238_100000746330 [0,0,0,0,0,0|2,0,2]=4 1492 B13R0.336 CCCCOCCOCCCCCO 7a_100000210238_100000746330 [0,0,0,0,0,0|2,0,2]=4 1493 B13R0.336 CCCCOCCOCCCCOC 34a_100000210238_100000755781 [0,0,0,0,0,0|4,0,0]=4 1494 B13R0.336 CCCCOCCOCCCCOC 34a_100000740925_100000743108 [0,0,0,0,0,0|4,0,0]=4 1495 B13R0.336 CCCCOCCOCCCCOC 7a_100000210238_100000730899 [0,0,0,0,0,0|4,0,0]=4 1496 B13R0.336 CCCCOCCOCCCCSC 34a_100011217163_100000743108 [0,0,0,0,0,0|4,0,0]=4 1497 B13R0.336 CCCCOCCOCCCCSC 7a_100011217163_100000743108 [0,0,0,0,0,0|4,0,0]=4 1498 B13R0.336 CCCCOCCOCCOCC=O 34a_100011215186_200009817547 [0,0,0,0,0,0|3,0,0]=3 1499 B13R0.336 CCCCOCCOCCOCC=O 7a_100011215186_200015260668 [0,0,0,0,0,0|3,0,0]=3 1500 B13R0.336 CCCCOCCSCCCCC#N 62a_100000743108_100000211819 [0,0,0,0,0,0|3,0,1]=4 1501 B13R0.336 CCCCOCCSCCCCC#N 62a_100011219923_100000743108 [0,0,0,0,0,0|3,0,1]=4 1502 B13R0.336 CCCCOCCSCCCCC=O 62a_100000139335_100000743108 [0,0,0,0,0,0|2,0,0]=2 1503 B13R0.336 CCCCOCCSCCCCC=O 62a_100000743108_100000139335 [0,0,0,0,0,0|2,0,0]=2 1504 B13R0.336 CCCCOCCSCCCCCF 62a_100000729378_100000743108 [0,0,0,0,0,0|3,0,1]=4 1505 B13R0.336 CCCCOCCSCCCCCF 62a_100000743108_100000729378 [0,0,0,0,0,0|3,0,1]=4 1506 B13R0.336 CCCCOCCSCCCCCO 62a_100000743108_100000746330 [0,0,0,0,0,0|2,0,2]=4 1507 B13R0.336 CCCCOCCSCCCCCO 62a_100000746330_100000743108 [0,0,0,0,0,0|2,0,2]=4 1508 B13R0.336 CCCCOCCSCCCCOC 62a_100000730899_100000743108 [0,0,0,0,0,0|4,0,0]=4 1509 B13R0.336 CCCCOCCSCCCCOC 62a_100000743108_100000730899 [0,0,0,0,0,0|4,0,0]=4 1510 B13R0.336 CCCCOCNCCCCCCO 2230a_100000686447_100011995733 [0,0,0,0,0,0|2,0,2]=4 1511 B13R0.336 CCCCOCNCCCCCCO 34a_100000686447_100011995733 [0,0,0,0,0,0|2,0,2]=4 1512 B13R0.336 CCCCOCNCCCCCOC 2230a_100000747528_100011995733 [0,0,0,0,0,0|4,0,0]=4 1513 B13R0.336 CCCCOCNCCCCCOC 34a_100000747528_100011995733 [0,0,0,0,0,0|4,0,0]=4 1514 B13R0.336 CCCCOCOCCCCCCBr 34a_100011215345_100011995733 [0,0,0,0,0,0|3,0,1]=4 1515 B13R0.336 CCCCOCOCCCCCCCl 34a_100000766143_100011995733 [0,0,0,0,0,0|3,0,1]=4 1516 B13R0.336 CCCCOCOCCCCCCF 34a_100000732779_100011995733 [0,0,0,0,0,0|3,0,1]=4 1517 B13R0.336 CCCCOCOCCCCCCN 34a_100000686447_100011995733 [0,0,0,0,0,0|3,0,1]=4 1518 B13R0.336 CCCCOCOCCCCCNC 34a_100000722520_100011995733 [0,0,0,0,0,0|4,0,0]=4 1519 B13R0.336 CCCCOCSCCCCCC#N 62a_100009813376_100011995733 [0,0,0,0,0,0|3,0,1]=4 1520 B13R0.336 CCCCOCSCCCCCC#N 62a_100011995733_100009813376 [0,0,0,0,0,0|3,0,1]=4 1521 B13R0.336 CCCCOCSCCCCCC=O 62a_100000139337_100011995733 [0,0,0,0,0,0|2,0,0]=2 1522 B13R0.336 CCCCOCSCCCCCC=O 62a_100011995733_100000139337 [0,0,0,0,0,0|2,0,0]=2 1523 B13R0.336 CCCCOCSCCCCCCF 62a_100011995733_100015922095 [0,0,0,0,0,0|3,0,1]=4 1524 B13R0.336 CCCCOCSCCCCCCF 62a_100015922095_100011995733 [0,0,0,0,0,0|3,0,1]=4 1525 B13R0.336 CCCCOCSCCCCCCO 62a_100000766143_100011995733 [0,0,0,0,0,0|2,0,2]=4 1526 B13R0.336 CCCCOCSCCCCCCO 62a_100011995733_100000766143 [0,0,0,0,0,0|2,0,2]=4 1527 B13R0.336 CCCCSCCCCCCCCO 62a_100000033203_100000210210 [0,0,0,0,0,0|1,0,2]=3 1528 B13R0.336 CCCCSCCCCCCCCO 62a_100000210211_100000033203 [0,0,0,0,0,0|1,0,2]=3 1529 B13R0.336 CCCCSCCNCCCCC#N 2230a_100025743550_100000211819 [0,0,0,0,0,0|3,0,1]=4 1530 B13R0.336 CCCCSCCNCCCCC=O 2230a_100025743550_100000139335 [0,0,0,0,0,0|2,0,0]=2 1531 B13R0.336 CCCCSCCNCCCCCF 2230a_100025743550_100000729378 [0,0,0,0,0,0|3,0,1]=4 1532 B13R0.336 CCCCSCCNCCCCCO 2230a_100025743550_100000746330 [0,0,0,0,0,0|2,0,2]=4 1533 B13R0.336 CCCCSCCNCCCCOC 2230a_100025743550_100000730899 [0,0,0,0,0,0|4,0,0]=4 1534 B13R0.336 CCCCSCCOCCCCC#N 7a_200000230436_100000211819 [0,0,0,0,0,0|3,0,1]=4 1535 B13R0.336 CCCCSCCOCCCCC=O 7a_200000230436_100000139335 [0,0,0,0,0,0|2,0,0]=2 1536 B13R0.336 CCCCSCCOCCCCCF 34a_200000230436_100000729378 [0,0,0,0,0,0|3,0,1]=4 1537 B13R0.336 CCCCSCCOCCCCCF 7a_200000230436_100000729378 [0,0,0,0,0,0|3,0,1]=4 1538 B13R0.336 CCCCSCCOCCCCCO 34a_200000230436_100000746330 [0,0,0,0,0,0|2,0,2]=4 1539 B13R0.336 CCCCSCCOCCCCCO 7a_200000230436_100000746330 [0,0,0,0,0,0|2,0,2]=4 1540 B13R0.336 CCCCSCCOCCCCOC 34a_200000230436_100000755781 [0,0,0,0,0,0|4,0,0]=4 1541 B13R0.336 CCCCSCCOCCCCOC 7a_200000230436_100000730899 [0,0,0,0,0,0|4,0,0]=4 1542 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [0,0,0,0,0,0|1,0,2]=3 1543 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [0,0,0,0,0,0|1,0,2]=3 1544 B13R0.336 CCCOCCCCCCCCCBr 34a_100009813782_100000210303 [0,0,0,0,0,0|2,0,1]=3 1545 B13R0.336 CCCOCCCCCCCCCBr 7a_100009813782_100000210303 [0,0,0,0,0,0|2,0,1]=3 1546 B13R0.336 CCCOCCCCCCCCCCl 34a_100009868337_100000210303 [0,0,0,0,0,0|2,0,1]=3 1547 B13R0.336 CCCOCCCCCCCCCCl 7a_100009868337_100000210303 [0,0,0,0,0,0|2,0,1]=3 1548 B13R0.336 CCCOCCCCCCCCCN 34a_100000078944_100000210303 [0,0,0,0,0,0|2,0,1]=3 1549 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [0,0,0,0,0,0|1,0,2]=3 1550 B13R0.336 CCCOCCCNCCCCC#N 2230a_100011217757_100000211819 [0,0,0,0,0,0|3,0,1]=4 1551 B13R0.336 CCCOCCCNCCCCC=O 2230a_100011217757_100000139335 [0,0,0,0,0,0|2,0,0]=2 1552 B13R0.336 CCCOCCCNCCCCCF 2230a_100011217757_100000729378 [0,0,0,0,0,0|3,0,1]=4 1553 B13R0.336 CCCOCCCNCCCCCF 34a_100011217757_100000729378 [0,0,0,0,0,0|3,0,1]=4 1554 B13R0.336 CCCOCCCNCCCCCO 2230a_100011217757_100000746330 [0,0,0,0,0,0|2,0,2]=4 1555 B13R0.336 CCCOCCCNCCCCCO 34a_100011217757_100000746330 [0,0,0,0,0,0|2,0,2]=4 1556 B13R0.336 CCCOCCCNCCCCOC 2230a_100011217757_100000730899 [0,0,0,0,0,0|4,0,0]=4 1557 B13R0.336 CCCOCCCNCCCCOC 34a_100011217757_100000755781 [0,0,0,0,0,0|4,0,0]=4 1558 B13R0.336 CCCOCCNCCCCCC#N 2230a_100161115042_100009813376 [0,0,0,0,0,0|3,0,1]=4 1559 B13R0.336 CCCOCCNCCCCCC=O 2230a_100161115042_100000139337 [0,0,0,0,0,0|2,0,0]=2 1560 B13R0.336 CCCOCCNCCCCCCF 2230a_100161115042_100015922095 [0,0,0,0,0,0|3,0,1]=4 1561 B13R0.336 CCCOCCNCCCCCCF 34a_100161115042_100015922095 [0,0,0,0,0,0|3,0,1]=4 1562 B13R0.336 CCCOCCNCCCCCCO 2230a_100000686447_100011215938 [0,0,0,0,0,0|2,0,2]=4 1563 B13R0.336 CCCOCCNCCCCCCO 2230a_100161115042_100000766143 [0,0,0,0,0,0|2,0,2]=4 1564 B13R0.336 CCCOCCNCCCCCCO 34a_100000686447_100011215938 [0,0,0,0,0,0|2,0,2]=4 1565 B13R0.336 CCCOCCNCCCCCCO 34a_100161115042_100000766143 [0,0,0,0,0,0|2,0,2]=4 1566 B13R0.336 CCCOCCNCCCCCOC 2230a_100000747528_100011215938 [0,0,0,0,0,0|4,0,0]=4 1567 B13R0.336 CCCOCCNCCCCCOC 34a_100000747528_100011215938 [0,0,0,0,0,0|4,0,0]=4 1568 B13R0.336 CCCOCCOCCCCCC#N 7a_100000752267_100009813376 [0,0,0,0,0,0|3,0,1]=4 1569 B13R0.336 CCCOCCOCCCCCC=O 7a_100000752267_100000139337 [0,0,0,0,0,0|2,0,0]=2 1570 B13R0.336 CCCOCCOCCCCCCBr 34a_100011215345_100011215938 [0,0,0,0,0,0|3,0,1]=4 1571 B13R0.336 CCCOCCOCCCCCCBr 7a_100011215345_100011215938 [0,0,0,0,0,0|3,0,1]=4 1572 B13R0.336 CCCOCCOCCCCCCCl 34a_100000766143_100011215938 [0,0,0,0,0,0|3,0,1]=4 1573 B13R0.336 CCCOCCOCCCCCCCl 7a_100000766143_100011215938 [0,0,0,0,0,0|3,0,1]=4 1574 B13R0.336 CCCOCCOCCCCCCF 34a_100000732779_100011215938 [0,0,0,0,0,0|3,0,1]=4 1575 B13R0.336 CCCOCCOCCCCCCF 34a_100000752267_100015922095 [0,0,0,0,0,0|3,0,1]=4 1576 B13R0.336 CCCOCCOCCCCCCF 7a_100000732779_100011215938 [0,0,0,0,0,0|3,0,1]=4 1577 B13R0.336 CCCOCCOCCCCCCF 7a_100000752267_100015922095 [0,0,0,0,0,0|3,0,1]=4 1578 B13R0.336 CCCOCCOCCCCCCN 34a_100000686447_100011215938 [0,0,0,0,0,0|3,0,1]=4 1579 B13R0.336 CCCOCCOCCCCCCO 34a_100000752267_100000766143 [0,0,0,0,0,0|2,0,2]=4 1580 B13R0.336 CCCOCCOCCCCCCO 7a_100000752267_100000766143 [0,0,0,0,0,0|2,0,2]=4 1581 B13R0.336 CCCOCCOCCCCCNC 34a_100000722520_100011215938 [0,0,0,0,0,0|4,0,0]=4 1582 B13R0.336 CCCOCCSCCCCCC#N 62a_100009813376_100011215938 [0,0,0,0,0,0|3,0,1]=4 1583 B13R0.336 CCCOCCSCCCCCC#N 62a_100011215938_100009813376 [0,0,0,0,0,0|3,0,1]=4 1584 B13R0.336 CCCOCCSCCCCCC=O 62a_100000139337_100011215938 [0,0,0,0,0,0|2,0,0]=2 1585 B13R0.336 CCCOCCSCCCCCC=O 62a_100011215938_100000139337 [0,0,0,0,0,0|2,0,0]=2 1586 B13R0.336 CCCOCCSCCCCCCF 62a_100011215938_100015922095 [0,0,0,0,0,0|3,0,1]=4 1587 B13R0.336 CCCOCCSCCCCCCF 62a_100015922095_100011215938 [0,0,0,0,0,0|3,0,1]=4 1588 B13R0.336 CCCOCCSCCCCCCO 62a_100000766143_100011215938 [0,0,0,0,0,0|2,0,2]=4 1589 B13R0.336 CCCOCCSCCCCCCO 62a_100011215938_100000766143 [0,0,0,0,0,0|2,0,2]=4 1590 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [0,0,0,0,0,0|1,0,2]=3 1591 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [0,0,0,0,0,0|1,0,2]=3 1592 B13R0.336 CCCSCCNCCCCCC#N 2230a_100020603323_100009813376 [0,0,0,0,0,0|3,0,1]=4 1593 B13R0.336 CCCSCCNCCCCCC=O 2230a_100020603323_100000139337 [0,0,0,0,0,0|2,0,0]=2 1594 B13R0.336 CCCSCCNCCCCCCF 2230a_100020603323_100015922095 [0,0,0,0,0,0|3,0,1]=4 1595 B13R0.336 CCCSCCNCCCCCCO 2230a_100020603323_100000766143 [0,0,0,0,0,0|2,0,2]=4 1596 B13R0.336 CCCSCCOCCCCCC#N 7a_200000230433_100009813376 [0,0,0,0,0,0|3,0,1]=4 1597 B13R0.336 CCCSCCOCCCCCC=O 7a_200000230433_100000139337 [0,0,0,0,0,0|2,0,0]=2 1598 B13R0.336 CCCSCCOCCCCCCF 34a_200000230433_100015922095 [0,0,0,0,0,0|3,0,1]=4 1599 B13R0.336 CCCSCCOCCCCCCF 7a_200000230433_100015922095 [0,0,0,0,0,0|3,0,1]=4 1600 B13R0.336 CCCSCCOCCCCCCO 34a_200000230433_100000766143 [0,0,0,0,0,0|2,0,2]=4 1601 B13R0.336 CCCSCCOCCCCCCO 7a_200000230433_100000766143 [0,0,0,0,0,0|2,0,2]=4 1602 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [0,0,0,0,0,0|1,0,2]=3 1603 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [0,0,0,0,0,0|1,0,2]=3 1604 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [0,0,0,0,0,0|1,0,2]=3 1605 B13R0.336 CCOCCCCCCCCCCBr 34a_100009813290_100000210202 [0,0,0,0,0,0|2,0,1]=3 1606 B13R0.336 CCOCCCCCCCCCCBr 7a_100009813290_100000210202 [0,0,0,0,0,0|2,0,1]=3 1607 B13R0.336 CCOCCCCCCCCCCCl 34a_200000033068_100000210202 [0,0,0,0,0,0|2,0,1]=3 1608 B13R0.336 CCOCCCCCCCCCCCl 7a_200000033068_100000210202 [0,0,0,0,0,0|2,0,1]=3 1609 B13R0.336 CCOCCCCCCCCCCN 34a_100000066964_100000210202 [0,0,0,0,0,0|2,0,1]=3 1610 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [0,0,0,0,0,0|1,0,2]=3 1611 B13R0.336 CCOCCCCCCCCCOC 34a_100009875440_200000210301 [0,0,0,0,0,0|3,0,0]=3 1612 B13R0.336 CCOCCCCCCCCCOC 7a_100009875440_200000210301 [0,0,0,0,0,0|3,0,0]=3 1613 B13R0.336 CCOCCCCCCCCCO[13CH3] 34a_100009875440_200025704644 [0,0,0,0,0,0|3,0,0]=3 1614 B13R0.336 CCOCCCCCCCCCO[13CH3] 7a_100009875440_200025704644 [0,0,0,0,0,0|3,0,0]=3 1615 B13R0.336 CCOCCCNCCCCCC#N 2230a_100000210961_100009813376 [0,0,0,0,0,0|3,0,1]=4 1616 B13R0.336 CCOCCCNCCCCCC=O 2230a_100000210961_100000139337 [0,0,0,0,0,0|2,0,0]=2 1617 B13R0.336 CCOCCCNCCCCCCF 2230a_100000210961_100015922095 [0,0,0,0,0,0|3,0,1]=4 1618 B13R0.336 CCOCCCNCCCCCCF 34a_100000210961_100015922095 [0,0,0,0,0,0|3,0,1]=4 1619 B13R0.336 CCOCCCNCCCCCCO 2230a_100000210961_100000766143 [0,0,0,0,0,0|2,0,2]=4 1620 B13R0.336 CCOCCCNCCCCCCO 2230a_100000686447_100012232248 [0,0,0,0,0,0|2,0,2]=4 1621 B13R0.336 CCOCCCNCCCCCCO 34a_100000210961_100000766143 [0,0,0,0,0,0|2,0,2]=4 1622 B13R0.336 CCOCCCNCCCCCCO 34a_100000686447_100012232248 [0,0,0,0,0,0|2,0,2]=4 1623 B13R0.336 CCOCCCNCCCCCOC 2230a_100000747528_100012232248 [0,0,0,0,0,0|4,0,0]=4 1624 B13R0.336 CCOCCCNCCCCCOC 34a_100000747528_100012232248 [0,0,0,0,0,0|4,0,0]=4 1625 B13R0.336 CCOCCCOCCCCCC#N 7a_100000757476_100009813376 [0,0,0,0,0,0|3,0,1]=4 1626 B13R0.336 CCOCCCOCCCCCC=O 7a_100000757476_100000139337 [0,0,0,0,0,0|2,0,0]=2 1627 B13R0.336 CCOCCCOCCCCCCBr 34a_100011215345_100012232248 [0,0,0,0,0,0|3,0,1]=4 1628 B13R0.336 CCOCCCOCCCCCCBr 7a_100011215345_100012232248 [0,0,0,0,0,0|3,0,1]=4 1629 B13R0.336 CCOCCCOCCCCCCCl 34a_100000766143_100012232248 [0,0,0,0,0,0|3,0,1]=4 1630 B13R0.336 CCOCCCOCCCCCCCl 7a_100000766143_100012232248 [0,0,0,0,0,0|3,0,1]=4 1631 B13R0.336 CCOCCCOCCCCCCF 34a_100000732779_100012232248 [0,0,0,0,0,0|3,0,1]=4 1632 B13R0.336 CCOCCCOCCCCCCF 34a_100000757476_100015922095 [0,0,0,0,0,0|3,0,1]=4 1633 B13R0.336 CCOCCCOCCCCCCF 7a_100000732779_100012232248 [0,0,0,0,0,0|3,0,1]=4 1634 B13R0.336 CCOCCCOCCCCCCF 7a_100000757476_100015922095 [0,0,0,0,0,0|3,0,1]=4 1635 B13R0.336 CCOCCCOCCCCCCN 34a_100000686447_100012232248 [0,0,0,0,0,0|3,0,1]=4 1636 B13R0.336 CCOCCCOCCCCCCO 34a_100000757476_100000766143 [0,0,0,0,0,0|2,0,2]=4 1637 B13R0.336 CCOCCCOCCCCCCO 7a_100000757476_100000766143 [0,0,0,0,0,0|2,0,2]=4 1638 B13R0.336 CCOCCCOCCCCCNC 34a_100000722520_100012232248 [0,0,0,0,0,0|4,0,0]=4 1639 B13R0.336 CCOCCCSCCCCCC#N 62a_100009813376_100012232248 [0,0,0,0,0,0|3,0,1]=4 1640 B13R0.336 CCOCCCSCCCCCC#N 62a_100012232248_100009813376 [0,0,0,0,0,0|3,0,1]=4 1641 B13R0.336 CCOCCCSCCCCCC=O 62a_100000139337_100012232248 [0,0,0,0,0,0|2,0,0]=2 1642 B13R0.336 CCOCCCSCCCCCC=O 62a_100012232248_100000139337 [0,0,0,0,0,0|2,0,0]=2 1643 B13R0.336 CCOCCCSCCCCCCF 62a_100012232248_100015922095 [0,0,0,0,0,0|3,0,1]=4 1644 B13R0.336 CCOCCCSCCCCCCF 62a_100015922095_100012232248 [0,0,0,0,0,0|3,0,1]=4 1645 B13R0.336 CCOCCCSCCCCCCO 62a_100000766143_100012232248 [0,0,0,0,0,0|2,0,2]=4 1646 B13R0.336 CCOCCCSCCCCCCO 62a_100012232248_100000766143 [0,0,0,0,0,0|2,0,2]=4 1647 B13R0.336 CCOCCNCCCCCCC#N 2230a_102516460346_100009813337 [0,0,0,0,0,0|3,0,1]=4 1648 B13R0.336 CCOCCNCCCCCCCO 2230a_100011996573_100011215890 [0,0,0,0,0,0|2,0,2]=4 1649 B13R0.336 CCOCCNCCCCCCCO 2230a_102516460346_100000760002 [0,0,0,0,0,0|2,0,2]=4 1650 B13R0.336 CCOCCNCCCCCCCO 34a_100011996573_100000210147 [0,0,0,0,0,0|2,0,2]=4 1651 B13R0.336 CCOCCNCCCCCCCO 34a_102516460346_100000760002 [0,0,0,0,0,0|2,0,2]=4 1652 B13R0.336 CCOCCNCCCCCCOC 2230a_102516460346_100011998445 [0,0,0,0,0,0|4,0,0]=4 1653 B13R0.336 CCOCCNCCCCCCOC 34a_102516460346_100011998445 [0,0,0,0,0,0|4,0,0]=4 1654 B13R0.336 CCOCCOCCCCCCC#N 7a_100000210136_100009813337 [0,0,0,0,0,0|3,0,1]=4 1655 B13R0.336 CCOCCOCCCCCCCBr 34a_100000760002_100000210147 [0,0,0,0,0,0|3,0,1]=4 1656 B13R0.336 CCOCCOCCCCCCCBr 7a_100000760002_100011215890 [0,0,0,0,0,0|3,0,1]=4 1657 B13R0.336 CCOCCOCCCCCCCN 34a_100011996573_100000210147 [0,0,0,0,0,0|3,0,1]=4 1658 B13R0.336 CCOCCOCCCCCCCO 34a_100000210136_100000760002 [0,0,0,0,0,0|2,0,2]=4 1659 B13R0.336 CCOCCOCCCCCCCO 7a_100000210136_100000760002 [0,0,0,0,0,0|2,0,2]=4 1660 B13R0.336 CCOCCOCCCCCCOC 34a_100000210136_100011998445 [0,0,0,0,0,0|4,0,0]=4 1661 B13R0.336 CCOCCOCCCCCCOC 34a_200012092642_100000210147 [0,0,0,0,0,0|4,0,0]=4 1662 B13R0.336 CCOCCOCCCCCCOC 7a_100000210136_100011998445 [0,0,0,0,0,0|4,0,0]=4 1663 B13R0.336 CCOCCOCCCCCCOC 7a_200012092642_100011215890 [0,0,0,0,0,0|4,0,0]=4 1664 B13R0.336 CCOCCOCCNCCCC=O 2230a_100102712874_200011292268 [0,0,0,0,0,0|3,0,0]=3 1665 B13R0.336 CCOCCOCCOCCCC=O 7a_100000210240_200011292268 [0,0,0,0,0,0|3,0,0]=3 1666 B13R0.336 CCOCCOCCSCCCC=O 62a_100011211534_200011292268 [0,0,0,0,0,0|3,0,0]=3 1667 B13R0.336 CCOCCOCCSCCCC=O 62a_200011292268_100011211534 [0,0,0,0,0,0|3,0,0]=3 1668 B13R0.336 CCOCCSCCCCCCC#N 62a_100000210147_100009813337 [0,0,0,0,0,0|3,0,1]=4 1669 B13R0.336 CCOCCSCCCCCCC#N 62a_100009813337_100011215890 [0,0,0,0,0,0|3,0,1]=4 1670 B13R0.336 CCOCCSCCCCCCCO 62a_100000210147_100000760002 [0,0,0,0,0,0|2,0,2]=4 1671 B13R0.336 CCOCCSCCCCCCCO 62a_100000760002_100011215890 [0,0,0,0,0,0|2,0,2]=4 1672 B13R0.336 CCOCCSCCCCCCOC 62a_100000210147_100011998445 [0,0,0,0,0,0|4,0,0]=4 1673 B13R0.336 CCOCCSCCCCCCOC 62a_100011998445_100011215890 [0,0,0,0,0,0|4,0,0]=4 1674 B13R0.336 CCOCSCCCCCCCCO 62a_100000033203_100000739092 [0,0,0,0,0,0|2,0,2]=4 1675 B13R0.336 CCOCSCCCCCCCCO 62a_100000739092_100000033203 [0,0,0,0,0,0|2,0,2]=4 1676 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [0,0,0,0,0,0|1,0,2]=3 1677 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [0,0,0,0,0,0|1,0,2]=3 1678 B13R0.336 CCSCCCOCCCCCC#N 7a_100011216438_100009813376 [0,0,0,0,0,0|3,0,1]=4 1679 B13R0.336 CCSCCCOCCCCCC=O 7a_100011216438_100000139337 [0,0,0,0,0,0|2,0,0]=2 1680 B13R0.336 CCSCCCOCCCCCCF 34a_100011216438_100015922095 [0,0,0,0,0,0|3,0,1]=4 1681 B13R0.336 CCSCCCOCCCCCCF 7a_100011216438_100015922095 [0,0,0,0,0,0|3,0,1]=4 1682 B13R0.336 CCSCCCOCCCCCCO 34a_100011216438_100000766143 [0,0,0,0,0,0|2,0,2]=4 1683 B13R0.336 CCSCCCOCCCCCCO 7a_100011216438_100000766143 [0,0,0,0,0,0|2,0,2]=4 1684 B13R0.336 CCSCCNCCCCCCC#N 2230a_100000106463_100009813337 [0,0,0,0,0,0|3,0,1]=4 1685 B13R0.336 CCSCCNCCCCCCCO 2230a_100000106463_100000760002 [0,0,0,0,0,0|2,0,2]=4 1686 B13R0.336 CCSCCNCCCCCCCO 2230a_100011996573_100000757381 [0,0,0,0,0,0|2,0,2]=4 1687 B13R0.336 CCSCCNCCCCCCCO 34a_100011996573_100000757381 [0,0,0,0,0,0|2,0,2]=4 1688 B13R0.336 CCSCCNCCCCCCOC 2230a_100000106463_100011998445 [0,0,0,0,0,0|4,0,0]=4 1689 B13R0.336 CCSCCOCCCCCCC#N 7a_100000212035_100009813337 [0,0,0,0,0,0|3,0,1]=4 1690 B13R0.336 CCSCCOCCCCCCCBr 34a_100000760002_100000757381 [0,0,0,0,0,0|3,0,1]=4 1691 B13R0.336 CCSCCOCCCCCCCBr 7a_100000760002_100000757381 [0,0,0,0,0,0|3,0,1]=4 1692 B13R0.336 CCSCCOCCCCCCCN 34a_100011996573_100000757381 [0,0,0,0,0,0|3,0,1]=4 1693 B13R0.336 CCSCCOCCCCCCCO 34a_100000212035_100000760002 [0,0,0,0,0,0|2,0,2]=4 1694 B13R0.336 CCSCCOCCCCCCCO 7a_100000212035_100000760002 [0,0,0,0,0,0|2,0,2]=4 1695 B13R0.336 CCSCCOCCCCCCOC 34a_100000212035_100011998445 [0,0,0,0,0,0|4,0,0]=4 1696 B13R0.336 CCSCCOCCCCCCOC 34a_200012092642_100000757381 [0,0,0,0,0,0|4,0,0]=4 1697 B13R0.336 CCSCCOCCCCCCOC 7a_100000212035_100011998445 [0,0,0,0,0,0|4,0,0]=4 1698 B13R0.336 CCSCCOCCCCCCOC 7a_200012092642_100000757381 [0,0,0,0,0,0|4,0,0]=4 1699 B13R0.336 CCSCCSCCCCCCC#N 62a_100000757381_100009813337 [0,0,0,0,0,0|3,0,1]=4 1700 B13R0.336 CCSCCSCCCCCCC#N 62a_100009813337_100000757381 [0,0,0,0,0,0|3,0,1]=4 1701 B13R0.336 CCSCCSCCCCCCCO 62a_100000757381_100000760002 [0,0,0,0,0,0|2,0,2]=4 1702 B13R0.336 CCSCCSCCCCCCCO 62a_100000760002_100000757381 [0,0,0,0,0,0|2,0,2]=4 1703 B13R0.336 CCSCCSCCCCCCOC 62a_100000757381_100011998445 [0,0,0,0,0,0|4,0,0]=4 1704 B13R0.336 CCSCCSCCCCCCOC 62a_100011998445_100000757381 [0,0,0,0,0,0|4,0,0]=4 1705 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [0,0,0,0,0,0|1,0,2]=3 1706 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [0,0,0,0,0,0|1,0,2]=3 1707 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [0,0,0,0,0,0|1,0,2]=3 1708 B13R0.336 CNCCCCCOCCCCCF 34a_100000722520_100000729378 [0,0,0,0,0,0|3,0,1]=4 1709 B13R0.336 CNCCCCCOCCCCCO 34a_100000722520_100000746330 [0,0,0,0,0,0|2,0,2]=4 1710 B13R0.336 CNCCCCCOCCCCOC 34a_100000722520_100000755781 [0,0,0,0,0,0|4,0,0]=4 1711 B13R0.336 CNCCCOCCCCCCCO 34a_100000213112_100000760002 [0,0,0,0,0,0|2,0,2]=4 1712 B13R0.336 CNCCCOCCCCCCOC 34a_100000213112_100011998445 [0,0,0,0,0,0|4,0,0]=4 1713 B13R0.336 CNCCOCCOCCOCC=O 34a_200014138305_200009817547 [0,0,0,0,0,0|4,0,0]=4 1714 B13R0.336 COCCCCCCCCCCCBr 34a_100009812471_200000210301 [0,0,0,0,0,0|2,0,1]=3 1715 B13R0.336 COCCCCCCCCCCCBr 7a_100009812471_200000210301 [0,0,0,0,0,0|2,0,1]=3 1716 B13R0.336 COCCCCCCCCCCCO 34a_100138415774_100009812471 [0,0,0,0,0,0|1,0,2]=3 1717 B13R0.336 COCCCCCCNCCCCO 2230a_100000750430_100011998445 [0,0,0,0,0,0|2,0,2]=4 1718 B13R0.336 COCCCCCCNCCCCO 34a_100000750430_100011998445 [0,0,0,0,0,0|2,0,2]=4 1719 B13R0.336 COCCCCCCNCCCOC 34a_100150723488_100011998445 [0,0,0,0,0,0|4,0,0]=4 1720 B13R0.336 COCCCCCCNCCCSC 2230a_100000749238_100011998445 [0,0,0,0,0,0|4,0,0]=4 1721 B13R0.336 COCCCCCCOCCCC#N 7a_200012092642_100000687738 [0,0,0,0,0,0|3,0,1]=4 1722 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [0,0,0,0,0,0|2,0,0]=2 1723 B13R0.336 COCCCCCCOCCCCBr 34a_100011216708_100011998445 [0,0,0,0,0,0|3,0,1]=4 1724 B13R0.336 COCCCCCCOCCCCCl 34a_100000210776_100011998445 [0,0,0,0,0,0|3,0,1]=4 1725 B13R0.336 COCCCCCCOCCCCCl 7a_100000210776_100011998445 [0,0,0,0,0,0|3,0,1]=4 1726 B13R0.336 COCCCCCCOCCCCF 34a_100011995726_100011998445 [0,0,0,0,0,0|3,0,1]=4 1727 B13R0.336 COCCCCCCOCCCCF 34a_200012092642_100000729493 [0,0,0,0,0,0|3,0,1]=4 1728 B13R0.336 COCCCCCCOCCCCF 7a_100011995726_100011998445 [0,0,0,0,0,0|3,0,1]=4 1729 B13R0.336 COCCCCCCOCCCCF 7a_200012092642_100000729493 [0,0,0,0,0,0|3,0,1]=4 1730 B13R0.336 COCCCCCCOCCCCI 34a_200012148704_100011998445 [0,0,0,0,0,0|3,0,1]=4 1731 B13R0.336 COCCCCCCOCCCCN 34a_100000750430_100011998445 [0,0,0,0,0,0|3,0,1]=4 1732 B13R0.336 COCCCCCCOCCCCO 34a_200012092642_100011216708 [0,0,0,0,0,0|2,0,2]=4 1733 B13R0.336 COCCCCCCOCCCCO 7a_200012092642_100000210776 [0,0,0,0,0,0|2,0,2]=4 1734 B13R0.336 COCCCCCCOCCCOC 34a_100000740835_100011998445 [0,0,0,0,0,0|4,0,0]=4 1735 B13R0.336 COCCCCCCOCCCOC 34a_200012092642_100000740836 [0,0,0,0,0,0|4,0,0]=4 1736 B13R0.336 COCCCCCCOCCCOC 7a_200012092642_100000740836 [0,0,0,0,0,0|4,0,0]=4 1737 B13R0.336 COCCCCCCOCCCSC 34a_100000690336_100011998445 [0,0,0,0,0,0|4,0,0]=4 1738 B13R0.336 COCCCCCCOCCCSC 7a_100000690336_100011998445 [0,0,0,0,0,0|4,0,0]=4 1739 B13R0.336 COCCCCCCSCCCC#N 62a_100000687738_100011998445 [0,0,0,0,0,0|3,0,1]=4 1740 B13R0.336 COCCCCCCSCCCC#N 62a_100011998445_100000687738 [0,0,0,0,0,0|3,0,1]=4 1741 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [0,0,0,0,0,0|2,0,0]=2 1742 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [0,0,0,0,0,0|2,0,0]=2 1743 B13R0.336 COCCCCCCSCCCCF 62a_100000729493_100011998445 [0,0,0,0,0,0|3,0,1]=4 1744 B13R0.336 COCCCCCCSCCCCF 62a_100011998445_100000729493 [0,0,0,0,0,0|3,0,1]=4 1745 B13R0.336 COCCCCCCSCCCCO 62a_100000210776_100011998445 [0,0,0,0,0,0|2,0,2]=4 1746 B13R0.336 COCCCCCCSCCCCO 62a_100011998445_100000210776 [0,0,0,0,0,0|2,0,2]=4 1747 B13R0.336 COCCCCCCSCCCOC 62a_100000709357_100011998445 [0,0,0,0,0,0|4,0,0]=4 1748 B13R0.336 COCCCCCCSCCCOC 62a_100011998445_100000709357 [0,0,0,0,0,0|4,0,0]=4 1749 B13R0.336 COCCCCCNCCCCC#N 2230a_100000747528_100000211819 [0,0,0,0,0,0|3,0,1]=4 1750 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [0,0,0,0,0,0|2,0,0]=2 1751 B13R0.336 COCCCCCNCCCCCF 2230a_100000747528_100000729378 [0,0,0,0,0,0|3,0,1]=4 1752 B13R0.336 COCCCCCNCCCCCF 34a_100000747528_100000729378 [0,0,0,0,0,0|3,0,1]=4 1753 B13R0.336 COCCCCCNCCCCCO 2230a_100000747528_100000746330 [0,0,0,0,0,0|2,0,2]=4 1754 B13R0.336 COCCCCCNCCCCCO 34a_100000747528_100000746330 [0,0,0,0,0,0|2,0,2]=4 1755 B13R0.336 COCCCCCNCCCCOC 2230a_100000747528_100000730899 [0,0,0,0,0,0|4,0,0]=4 1756 B13R0.336 COCCCCCNCCCCOC 34a_100000747528_100000755781 [0,0,0,0,0,0|4,0,0]=4 1757 B13R0.336 COCCCCNCCCCCCO 2230a_100000686447_100000730899 [0,0,0,0,0,0|2,0,2]=4 1758 B13R0.336 COCCCCNCCCCCCO 34a_100000686447_100000755781 [0,0,0,0,0,0|2,0,2]=4 1759 B13R0.336 COCCCCOCCCCCCBr 34a_100011215345_100000755781 [0,0,0,0,0,0|3,0,1]=4 1760 B13R0.336 COCCCCOCCCCCCBr 7a_100011215345_100000730899 [0,0,0,0,0,0|3,0,1]=4 1761 B13R0.336 COCCCCOCCCCCCCl 34a_100000766143_100000755781 [0,0,0,0,0,0|3,0,1]=4 1762 B13R0.336 COCCCCOCCCCCCCl 7a_100000766143_100000730899 [0,0,0,0,0,0|3,0,1]=4 1763 B13R0.336 COCCCCOCCCCCCF 34a_100000732779_100000755781 [0,0,0,0,0,0|3,0,1]=4 1764 B13R0.336 COCCCCOCCCCCCF 34a_100000740925_100015922095 [0,0,0,0,0,0|3,0,1]=4 1765 B13R0.336 COCCCCOCCCCCCF 7a_100000732779_100000730899 [0,0,0,0,0,0|3,0,1]=4 1766 B13R0.336 COCCCCOCCCCCCN 34a_100000686447_100000755781 [0,0,0,0,0,0|3,0,1]=4 1767 B13R0.336 COCCCCOCCCCCCO 34a_100000740925_100000766143 [0,0,0,0,0,0|2,0,2]=4 1768 B13R0.336 COCCCCSCCCCCC#N 62a_100000730899_100009813376 [0,0,0,0,0,0|3,0,1]=4 1769 B13R0.336 COCCCCSCCCCCC#N 62a_100009813376_100000730899 [0,0,0,0,0,0|3,0,1]=4 1770 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [0,0,0,0,0,0|2,0,0]=2 1771 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [0,0,0,0,0,0|2,0,0]=2 1772 B13R0.336 COCCCCSCCCCCCF 62a_100000730899_100015922095 [0,0,0,0,0,0|3,0,1]=4 1773 B13R0.336 COCCCCSCCCCCCF 62a_100015922095_100000730899 [0,0,0,0,0,0|3,0,1]=4 1774 B13R0.336 COCCCCSCCCCCCO 62a_100000730899_100000766143 [0,0,0,0,0,0|2,0,2]=4 1775 B13R0.336 COCCCCSCCCCCCO 62a_100000766143_100000730899 [0,0,0,0,0,0|2,0,2]=4 1776 B13R0.336 COCCCNCCCCCCCO 2230a_100011996573_100000740836 [0,0,0,0,0,0|2,0,2]=4 1777 B13R0.336 COCCCNCCCCCCCO 34a_100011996573_100000740836 [0,0,0,0,0,0|2,0,2]=4 1778 B13R0.336 COCCCNCCCCCCCO 34a_100150723488_100000760002 [0,0,0,0,0,0|2,0,2]=4 1779 B13R0.336 COCCCOCCCCCCCBr 34a_100000760002_100000740836 [0,0,0,0,0,0|3,0,1]=4 1780 B13R0.336 COCCCOCCCCCCCBr 7a_100000760002_100000740836 [0,0,0,0,0,0|3,0,1]=4 1781 B13R0.336 COCCCOCCCCCCCN 34a_100011996573_100000740836 [0,0,0,0,0,0|3,0,1]=4 1782 B13R0.336 COCCCOCCCCCCCO 34a_100000740835_100000760002 [0,0,0,0,0,0|2,0,2]=4 1783 B13R0.336 COCCCSCCCCCCC#N 62a_100000709357_100009813337 [0,0,0,0,0,0|3,0,1]=4 1784 B13R0.336 COCCCSCCCCCCC#N 62a_100009813337_100000709357 [0,0,0,0,0,0|3,0,1]=4 1785 B13R0.336 COCCCSCCCCCCCO 62a_100000709357_100000760002 [0,0,0,0,0,0|2,0,2]=4 1786 B13R0.336 COCCCSCCCCCCCO 62a_100000760002_100000709357 [0,0,0,0,0,0|2,0,2]=4 1787 B13R0.336 COCCNCCCCCCCCO 2230a_100000209980_100000033203 [0,0,0,0,0,0|2,0,2]=4 1788 B13R0.336 COCCNCCCCCCCCO 2230a_102515433106_100011201679 [0,0,0,0,0,0|2,0,2]=4 1789 B13R0.336 COCCNCCCCCCCCO 34a_102515433106_100011201679 [0,0,0,0,0,0|2,0,2]=4 1790 B13R0.336 COCCOCCCCCCCCBr 34a_100009813846_100011201679 [0,0,0,0,0,0|3,0,1]=4 1791 B13R0.336 COCCOCCCCCCCCBr 7a_100009813846_100000233755 [0,0,0,0,0,0|3,0,1]=4 1792 B13R0.336 COCCOCCCCCCCCCl 34a_100000033203_100011201679 [0,0,0,0,0,0|3,0,1]=4 1793 B13R0.336 COCCOCCCCCCCCCl 7a_100000033203_100000233755 [0,0,0,0,0,0|3,0,1]=4 1794 B13R0.336 COCCOCCCCCCCCN 34a_102515433106_100011201679 [0,0,0,0,0,0|3,0,1]=4 1795 B13R0.336 COCCOCCCCCCCCO 34a_100000210237_100000033203 [0,0,0,0,0,0|2,0,2]=4 1796 B13R0.336 COCCOCCCNCCCC=O 2230a_100000206027_200011292268 [0,0,0,0,0,0|3,0,0]=3 1797 B13R0.336 COCCOCCCSCCCC=O 62a_100011216529_200011292268 [0,0,0,0,0,0|3,0,0]=3 1798 B13R0.336 COCCOCCCSCCCC=O 62a_200011292268_100011216529 [0,0,0,0,0,0|3,0,0]=3 1799 B13R0.336 COCCOCCNCCCCC=O 2230a_100000745349_100000139335 [0,0,0,0,0,0|3,0,0]=3 1800 B13R0.336 COCCOCCOCCCCC=O 7a_100011215163_100000139335 [0,0,0,0,0,0|3,0,0]=3 1801 B13R0.336 COCCOCCOCCNCC=O 2230a_100012028300_200015260668 [0,0,0,0,0,0|4,0,0]=4 1802 B13R0.336 COCCOCCOCCNCC=O 34a_100012028300_200009817547 [0,0,0,0,0,0|4,0,0]=4 1803 B13R0.336 COCCOCCOCCOCC=O 34a_100000688194_200009817547 [0,0,0,0,0,0|4,0,0]=4 1804 B13R0.336 COCCOCCOCCOCC=O 7a_100000688194_200015260668 [0,0,0,0,0,0|4,0,0]=4 1805 B13R0.336 COCCOCCOCCSCC=O 62a_100013367474_200015260668 [0,0,0,0,0,0|4,0,0]=4 1806 B13R0.336 COCCOCCOCCSCC=O 62a_200015260668_100013367474 [0,0,0,0,0,0|4,0,0]=4 1807 B13R0.336 COCCOCCSCCCCC=O 62a_100000139335_100000695917 [0,0,0,0,0,0|3,0,0]=3 1808 B13R0.336 COCCOCCSCCCCC=O 62a_100000695917_100000139335 [0,0,0,0,0,0|3,0,0]=3 1809 B13R0.336 COCCOCSCCCCCC=O 62a_100000139337_100000231047 [0,0,0,0,0,0|3,0,0]=3 1810 B13R0.336 COCCOCSCCCCCC=O 62a_100000231047_100000139337 [0,0,0,0,0,0|3,0,0]=3 1811 B13R0.336 COCCSCCCCCCCCO 62a_100000033203_100000233755 [0,0,0,0,0,0|2,0,2]=4 1812 B13R0.336 COCCSCCCCCCCCO 62a_100000233755_100000033203 [0,0,0,0,0,0|2,0,2]=4 1813 B13R0.336 COCNCCCCCCCCCO 2230a_100000078944_100000766300 [0,0,0,0,0,0|2,0,2]=4 1814 B13R0.336 COCSCCCCCCCCCO 62a_100000766300_100009813782 [0,0,0,0,0,0|2,0,2]=4 1815 B13R0.336 COCSCCCCCCCCCO 62a_100009813782_100000766300 [0,0,0,0,0,0|2,0,2]=4 1816 B13R0.336 CSCCCCCCCCCCCO 62a_100009812471_200000210301 [0,0,0,0,0,0|1,0,2]=3 1817 B13R0.336 CSCCCCOCCCCCC#N 7a_100011217163_100009813376 [0,0,0,0,0,0|3,0,1]=4 1818 B13R0.336 CSCCCCOCCCCCC=O 7a_100011217163_100000139337 [0,0,0,0,0,0|2,0,0]=2 1819 B13R0.336 CSCCCCOCCCCCCF 34a_100011217163_100015922095 [0,0,0,0,0,0|3,0,1]=4 1820 B13R0.336 CSCCCCOCCCCCCF 7a_100011217163_100015922095 [0,0,0,0,0,0|3,0,1]=4 1821 B13R0.336 CSCCCCOCCCCCCO 34a_100011217163_100000766143 [0,0,0,0,0,0|2,0,2]=4 1822 B13R0.336 CSCCCCOCCCCCCO 7a_100011217163_100000766143 [0,0,0,0,0,0|2,0,2]=4 1823 B13R0.336 CSCCCNCCCCCCC#N 2230a_100000749238_100009813337 [0,0,0,0,0,0|3,0,1]=4 1824 B13R0.336 CSCCCNCCCCCCCO 2230a_100000749238_100000760002 [0,0,0,0,0,0|2,0,2]=4 1825 B13R0.336 CSCCCOCCCCCCC#N 7a_100000690336_100009813337 [0,0,0,0,0,0|3,0,1]=4 1826 B13R0.336 CSCCCOCCCCCCCO 34a_100000690336_100000760002 [0,0,0,0,0,0|2,0,2]=4 1827 B13R0.336 CSCCCOCCCCCCCO 7a_100000690336_100000760002 [0,0,0,0,0,0|2,0,2]=4 1828 B13R0.336 CSCCNCCCCCCCCO 2230a_100020590264_100000033203 [0,0,0,0,0,0|2,0,2]=4 1829 B13R0.336 CSCCNCCCCCCCCO 2230a_102515433106_100000751147 [0,0,0,0,0,0|2,0,2]=4 1830 B13R0.336 CSCCNCCCCCCCCO 34a_102515433106_100000212216 [0,0,0,0,0,0|2,0,2]=4 1831 B13R0.336 CSCCOCCCCCCCCBr 34a_100009813846_100000212216 [0,0,0,0,0,0|3,0,1]=4 1832 B13R0.336 CSCCOCCCCCCCCBr 7a_100009813846_100000212216 [0,0,0,0,0,0|3,0,1]=4 1833 B13R0.336 CSCCOCCCCCCCCCl 34a_100000033203_100000212216 [0,0,0,0,0,0|3,0,1]=4 1834 B13R0.336 CSCCOCCCCCCCCCl 7a_100000033203_100000212216 [0,0,0,0,0,0|3,0,1]=4 1835 B13R0.336 CSCCOCCCCCCCCN 34a_102515433106_100000212216 [0,0,0,0,0,0|3,0,1]=4 1836 B13R0.336 CSCCOCCCCCCCCO 34a_100000230434_100000033203 [0,0,0,0,0,0|2,0,2]=4 1837 B13R0.336 CSCCOCCCCCCCCO 7a_100000230434_100000033203 [0,0,0,0,0,0|2,0,2]=4 1838 B13R0.336 CSCCSCCCCCCCCO 62a_100000033203_100000751147 [0,0,0,0,0,0|2,0,2]=4 1839 B13R0.336 CSCCSCCCCCCCCO 62a_100000212216_100000033203 [0,0,0,0,0,0|2,0,2]=4 1840 B13R0.336 CSCNCCCCCCCCCO 2230a_100000078944_100011218213 [0,0,0,0,0,0|2,0,2]=4 1841 B13R0.336 CSCNCCCCCCCCCO 34a_100000078944_100011218213 [0,0,0,0,0,0|2,0,2]=4 1842 B13R0.336 CSCOCCCCCCCCCBr 34a_100009813782_100011218213 [0,0,0,0,0,0|3,0,1]=4 1843 B13R0.336 CSCOCCCCCCCCCCl 34a_100009868337_100011218213 [0,0,0,0,0,0|3,0,1]=4 1844 B13R0.336 CSCOCCCCCCCCCN 34a_100000078944_100011218213 [0,0,0,0,0,0|3,0,1]=4 1845 B13R0.336 CSCSCCCCCCCCCO 62a_100009813782_100011218213 [0,0,0,0,0,0|2,0,2]=4 1846 B13R0.336 CSCSCCCCCCCCCO 62a_100011218213_100009813782 [0,0,0,0,0,0|2,0,2]=4 1847 B13R0.336 FCCCCCCOCCCCCBr 34a_100000746331_100015922095 [0,0,0,0,0,0|3,0,1]=4 1848 B13R0.336 FCCCCCCOCCCCCBr 7a_100000746331_100015922095 [0,0,0,0,0,0|3,0,1]=4 1849 B13R0.336 FCCCCCCOCCCCCCl 34a_100000746330_100015922095 [0,0,0,0,0,0|3,0,1]=4 1850 B13R0.336 FCCCCCCOCCCCCCl 7a_100000746330_100015922095 [0,0,0,0,0,0|3,0,1]=4 1851 B13R0.336 FCCCCCCOCCCCCF 34a_100000732779_100000729378 [0,0,0,0,0,0|3,0,1]=4 1852 B13R0.336 FCCCCCCOCCCCCF 7a_100000732779_100000729378 [0,0,0,0,0,0|3,0,1]=4 1853 B13R0.336 FCCCCCCOCCCCCI 34a_200012148887_100015922095 [0,0,0,0,0,0|3,0,1]=4 1854 B13R0.336 FCCCCCCOCCCCCI 7a_200012148887_100015922095 [0,0,0,0,0,0|3,0,1]=4 1855 B13R0.336 FCCCCCCSCCCCCF 62a_100000729378_100015922095 [0,0,0,0,0,0|3,0,1]=4 1856 B13R0.336 FCCCCCCSCCCCCF 62a_100015922095_100000729378 [0,0,0,0,0,0|3,0,1]=4 1857 B13R0.336 FCCCCCOCCCCCCBr 34a_100011215345_100000729378 [0,0,0,0,0,0|3,0,1]=4 1858 B13R0.336 FCCCCCOCCCCCCBr 7a_100011215345_100000729378 [0,0,0,0,0,0|3,0,1]=4 1859 B13R0.336 FCCCCCOCCCCCCCl 34a_100000766143_100000729378 [0,0,0,0,0,0|3,0,1]=4 1860 B13R0.336 FCCCCCOCCCCCCCl 7a_100000766143_100000729378 [0,0,0,0,0,0|3,0,1]=4 1861 B13R0.336 FCCCCOCCCCCCCBr 34a_100000760002_100000729493 [0,0,0,0,0,0|3,0,1]=4 1862 B13R0.336 FCCCCOCCCCCCCBr 7a_100000760002_100000729493 [0,0,0,0,0,0|3,0,1]=4 1863 B13R0.336 FCCCOCCCCCCCCBr 34a_100009813846_100011934791 [0,0,0,0,0,0|3,0,1]=4 1864 B13R0.336 FCCCOCCCCCCCCBr 7a_100009813846_100011934791 [0,0,0,0,0,0|3,0,1]=4 1865 B13R0.336 FCCCOCCCCCCCCCl 34a_100000033203_100011934791 [0,0,0,0,0,0|3,0,1]=4 1866 B13R0.336 FCCCOCCCCCCCCCl 7a_100000033203_100011934791 [0,0,0,0,0,0|3,0,1]=4 1867 B13R0.336 FCCOCCCCCCCCCBr 34a_100009813782_100011217306 [0,0,0,0,0,0|3,0,1]=4 1868 B13R0.336 FCCOCCCCCCCCCBr 7a_100009813782_100011217306 [0,0,0,0,0,0|3,0,1]=4 1869 B13R0.336 FCCOCCCCCCCCCCl 34a_100009868337_100011217306 [0,0,0,0,0,0|3,0,1]=4 1870 B13R0.336 FCCOCCCCCCCCCCl 7a_100009868337_100011217306 [0,0,0,0,0,0|3,0,1]=4 1871 B13R0.336 FCOCCCCCCCCCCBr 34a_100009813290_100015361967 [0,0,0,0,0,0|3,0,1]=4 1872 B13R0.336 FCOCCCCCCCCCCBr 7a_100009813290_100015361967 [0,0,0,0,0,0|3,0,1]=4 1873 B13R0.336 FCOCCCCCCCCCCCl 34a_200000033068_100015361967 [0,0,0,0,0,0|3,0,1]=4 1874 B13R0.336 FCOCCCCCCCCCCCl 7a_200000033068_100015361967 [0,0,0,0,0,0|3,0,1]=4 1875 B13R0.336 N#CCCCCCCNCCCCO 2230a_100000750430_100009813337 [0,0,0,0,0,0|3,0,1]=4 1876 B13R0.336 N#CCCCCCCOCCCCCl 7a_100000210776_100009813337 [0,0,0,0,0,0|3,0,1]=4 1877 B13R0.336 N#CCCCCCCOCCCCF 7a_100011995726_100009813337 [0,0,0,0,0,0|3,0,1]=4 1878 B13R0.336 N#CCCCCCCSCCCC=O 62a_100009813337_200011292268 [0,0,0,0,0,0|2,0,1]=3 1879 B13R0.336 N#CCCCCCCSCCCC=O 62a_200011292268_100009813337 [0,0,0,0,0,0|2,0,1]=3 1880 B13R0.336 N#CCCCCCCSCCCCF 62a_100000729493_100009813337 [0,0,0,0,0,0|3,0,1]=4 1881 B13R0.336 N#CCCCCCCSCCCCF 62a_100009813337_100000729493 [0,0,0,0,0,0|3,0,1]=4 1882 B13R0.336 N#CCCCCCCSCCCCO 62a_100000210776_100009813337 [0,0,0,0,0,0|3,0,1]=4 1883 B13R0.336 N#CCCCCCCSCCCCO 62a_100009813337_100000210776 [0,0,0,0,0,0|3,0,1]=4 1884 B13R0.336 N#CCCCCCNCCCCCO 2230a_100000762737_100009813376 [0,0,0,0,0,0|3,0,1]=4 1885 B13R0.336 N#CCCCCCOCCCCCBr 7a_100000746331_100009813376 [0,0,0,0,0,0|3,0,1]=4 1886 B13R0.336 N#CCCCCCOCCCCCCl 7a_100000746330_100009813376 [0,0,0,0,0,0|3,0,1]=4 1887 B13R0.336 N#CCCCCCOCCCCCI 7a_200012148887_100009813376 [0,0,0,0,0,0|3,0,1]=4 1888 B13R0.336 N#CCCCCCSCCCCC=O 62a_100000139335_100009813376 [0,0,0,0,0,0|2,0,1]=3 1889 B13R0.336 N#CCCCCCSCCCCC=O 62a_100009813376_100000139335 [0,0,0,0,0,0|2,0,1]=3 1890 B13R0.336 N#CCCCCCSCCCCCF 62a_100000729378_100009813376 [0,0,0,0,0,0|3,0,1]=4 1891 B13R0.336 N#CCCCCCSCCCCCF 62a_100009813376_100000729378 [0,0,0,0,0,0|3,0,1]=4 1892 B13R0.336 N#CCCCCCSCCCCCO 62a_100000746330_100009813376 [0,0,0,0,0,0|3,0,1]=4 1893 B13R0.336 N#CCCCCCSCCCCCO 62a_100009813376_100000746330 [0,0,0,0,0,0|3,0,1]=4 1894 B13R0.336 N#CCCCCNCCCCCCO 2230a_100000686447_100000211819 [0,0,0,0,0,0|3,0,1]=4 1895 B13R0.336 N#CCCCCOCCCCCCBr 7a_100011215345_100000211819 [0,0,0,0,0,0|3,0,1]=4 1896 B13R0.336 N#CCCCCOCCCCCCCl 7a_100000766143_100000211819 [0,0,0,0,0,0|3,0,1]=4 1897 B13R0.336 N#CCCCCOCCCCCCF 7a_100000732779_100000211819 [0,0,0,0,0,0|3,0,1]=4 1898 B13R0.336 N#CCCCCSCCCCCC=O 62a_100000139337_100000211819 [0,0,0,0,0,0|2,0,1]=3 1899 B13R0.336 N#CCCCCSCCCCCC=O 62a_100011219923_100000139337 [0,0,0,0,0,0|2,0,1]=3 1900 B13R0.336 N#CCCCCSCCCCCCF 62a_100011219923_100015922095 [0,0,0,0,0,0|3,0,1]=4 1901 B13R0.336 N#CCCCCSCCCCCCF 62a_100015922095_100000211819 [0,0,0,0,0,0|3,0,1]=4 1902 B13R0.336 N#CCCCCSCCCCCCO 62a_100000766143_100000211819 [0,0,0,0,0,0|3,0,1]=4 1903 B13R0.336 N#CCCCCSCCCCCCO 62a_100011219923_100000766143 [0,0,0,0,0,0|3,0,1]=4 1904 B13R0.336 N#CCCCNCCCCCCCO 2230a_100011996573_100000687738 [0,0,0,0,0,0|3,0,1]=4 1905 B13R0.336 N#CCCCOCCCCCCCBr 7a_100000760002_100000687738 [0,0,0,0,0,0|3,0,1]=4 1906 B13R0.336 N#CCCCSCCCCCCCO 62a_100000687738_100000760002 [0,0,0,0,0,0|3,0,1]=4 1907 B13R0.336 N#CCCCSCCCCCCCO 62a_100000760002_100000687738 [0,0,0,0,0,0|3,0,1]=4 1908 B13R0.336 N#CCCNCCCCCCCCO 2230a_102515433106_100011215226 [0,0,0,0,0,0|3,0,1]=4 1909 B13R0.336 N#CCCOCCCCCCCCBr 7a_100009813846_100000184422 [0,0,0,0,0,0|3,0,1]=4 1910 B13R0.336 N#CCCOCCCCCCCCCl 7a_100000033203_100000184422 [0,0,0,0,0,0|3,0,1]=4 1911 B13R0.336 N#CCCSCCCCCCCCO 62a_100000033203_100011215226 [0,0,0,0,0,0|3,0,1]=4 1912 B13R0.336 N#CCCSCCCCCCCCO 62a_100011215226_100000033203 [0,0,0,0,0,0|3,0,1]=4 1913 B13R0.336 N#CCNCCCCCCCCCO 2230a_100000078944_100011215382 [0,0,0,0,0,0|3,0,1]=4 1914 B13R0.336 N#CCOCCCCCCCCCBr 7a_100009813782_100011215382 [0,0,0,0,0,0|3,0,1]=4 1915 B13R0.336 N#CCOCCCCCCCCCCl 7a_100009868337_100011215382 [0,0,0,0,0,0|3,0,1]=4 1916 B13R0.336 N#CCOCCSCCCCCC=O 62a_100000139337_200000047693 [0,0,0,0,0,0|3,0,1]=4 1917 B13R0.336 N#CCOCCSCCCCCC=O 62a_200000047693_100000139337 [0,0,0,0,0,0|3,0,1]=4 1918 B13R0.336 N#CCSCCCCCCCCCO 62a_100009813782_100011215382 [0,0,0,0,0,0|3,0,1]=4 1919 B13R0.336 N#CCSCCCCCCCCCO 62a_100011215382_100009813782 [0,0,0,0,0,0|3,0,1]=4 1920 B13R0.336 NCCCCCCCCCCOCF 34a_100000066964_100015361967 [0,0,0,0,0,0|3,0,1]=4 1921 B13R0.336 NCCCCCCCCCOCC=O 34a_100000078944_200009817547 [0,0,0,0,0,0|2,0,0]=2 1922 B13R0.336 NCCCCCCCCCOCCF 34a_100000078944_100011217306 [0,0,0,0,0,0|3,0,1]=4 1923 B13R0.336 NCCCCCCCCCOCCO 34a_100000078944_100000211926 [0,0,0,0,0,0|2,0,2]=4 1924 B13R0.336 NCCCCCCCCOCCCF 34a_102515433106_100011934791 [0,0,0,0,0,0|3,0,1]=4 1925 B13R0.336 NCCCCCCCCOCCCO 34a_102515433106_100000230001 [0,0,0,0,0,0|2,0,2]=4 1926 B13R0.336 NCCCCCCCOCCCCF 34a_100011996573_100000729493 [0,0,0,0,0,0|3,0,1]=4 1927 B13R0.336 NCCCCCCCOCCCCO 34a_100011996573_100011216708 [0,0,0,0,0,0|2,0,2]=4 1928 B13R0.336 NCCCCCCOCCCCCF 34a_100000686447_100000729378 [0,0,0,0,0,0|3,0,1]=4 1929 B13R0.336 NCCCCCCOCCCCCO 34a_100000686447_100000746330 [0,0,0,0,0,0|2,0,2]=4 1930 B13R0.336 NCCCCCOCCCCCCF 34a_100000762737_100015922095 [0,0,0,0,0,0|3,0,1]=4 1931 B13R0.336 NCCCCCOCCCCCCO 34a_100000762737_100000766143 [0,0,0,0,0,0|2,0,2]=4 1932 B13R0.336 NCCCCOCCCCCCCO 34a_100000750430_100000760002 [0,0,0,0,0,0|2,0,2]=4 1933 B13R0.336 NCCCOCCCCCCCCO 34a_100000182051_100000033203 [0,0,0,0,0,0|2,0,2]=4 1934 B13R0.336 NCCCOCCOCCOCC=O 34a_100011996194_200009817547 [0,0,0,0,0,0|4,0,0]=4 1935 B13R0.336 NCCOCCCCCCCCCO 34a_100000210304_100009813782 [0,0,0,0,0,0|2,0,2]=4 1936 B13R0.336 NOCCOCCCCCCCCO 34a_100000700252_100000033203 [0,0,0,0,0,0|4,0,0]=4 1937 B13R0.336 O=CCCCCCNCCCCCO 2230a_100000762737_100000139337 [0,0,0,0,0,0|2,0,0]=2 1938 B13R0.336 O=CCCCCCNCCOCCO 2230a_100000211614_100000139337 [0,0,0,0,0,0|3,0,0]=3 1939 B13R0.336 O=CCCCCCNCCSCCO 2230a_100011219999_100000139337 [0,0,0,0,0,0|3,0,0]=3 1940 B13R0.336 O=CCCCCCOCCCCCBr 7a_100000746331_100000139337 [0,0,0,0,0,0|2,0,0]=2 1941 B13R0.336 O=CCCCCCOCCCCCCl 7a_100000746330_100000139337 [0,0,0,0,0,0|2,0,0]=2 1942 B13R0.336 O=CCCCCCOCCCCCI 7a_200012148887_100000139337 [0,0,0,0,0,0|2,0,0]=2 1943 B13R0.336 O=CCCCCCOCCOCCBr 7a_100000692535_100000139337 [0,0,0,0,0,0|3,0,0]=3 1944 B13R0.336 O=CCCCCCOCCOCCCl 7a_100011215305_100000139337 [0,0,0,0,0,0|3,0,0]=3 1945 B13R0.336 O=CCCCCCOCCOCCF 7a_200015357709_100000139337 [0,0,0,0,0,0|3,0,0]=3 1946 B13R0.336 O=CCCCCCOCCOCCI 7a_100012149058_100000139337 [0,0,0,0,0,0|3,0,0]=3 1947 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139335_100000139337 [0,0,0,0,0,0|2,0,1]=3 1948 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139337_100000139335 [0,0,0,0,0,0|2,0,1]=3 1949 B13R0.336 O=CCCCCCSCCCCCF 62a_100000139337_100000729378 [0,0,0,0,0,0|2,0,0]=2 1950 B13R0.336 O=CCCCCCSCCCCCF 62a_100000729378_100000139337 [0,0,0,0,0,0|2,0,0]=2 1951 B13R0.336 O=CCCCCCSCCCCCO 62a_100000139337_100000746330 [0,0,0,0,0,0|2,0,0]=2 1952 B13R0.336 O=CCCCCCSCCCCCO 62a_100000746330_100000139337 [0,0,0,0,0,0|2,0,0]=2 1953 B13R0.336 O=CCCCCCSCCOCCO 62a_100000139337_100011215305 [0,0,0,0,0,0|3,0,0]=3 1954 B13R0.336 O=CCCCCCSCCOCCO 62a_100011215305_100000139337 [0,0,0,0,0,0|3,0,0]=3 1955 B13R0.336 O=CCCCCNCCCCCCO 2230a_100000686447_100000139335 [0,0,0,0,0,0|2,0,0]=2 1956 B13R0.336 O=CCCCCOCCCCCCBr 7a_100011215345_100000139335 [0,0,0,0,0,0|2,0,0]=2 1957 B13R0.336 O=CCCCCOCCCCCCCl 7a_100000766143_100000139335 [0,0,0,0,0,0|2,0,0]=2 1958 B13R0.336 O=CCCCCOCCCCCCF 7a_100000732779_100000139335 [0,0,0,0,0,0|2,0,0]=2 1959 B13R0.336 O=CCCCCSCCCCCCF 62a_100000139335_100015922095 [0,0,0,0,0,0|2,0,0]=2 1960 B13R0.336 O=CCCCCSCCCCCCF 62a_100015922095_100000139335 [0,0,0,0,0,0|2,0,0]=2 1961 B13R0.336 O=CCCCCSCCCCCCO 62a_100000139335_100000766143 [0,0,0,0,0,0|2,0,0]=2 1962 B13R0.336 O=CCCCCSCCCCCCO 62a_100000766143_100000139335 [0,0,0,0,0,0|2,0,0]=2 1963 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [0,0,0,0,0,0|2,0,0]=2 1964 B13R0.336 O=CCCCNCCCOCCCO 2230a_100011310245_200011292268 [0,0,0,0,0,0|3,0,0]=3 1965 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [0,0,0,0,0,0|2,0,0]=2 1966 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [0,0,0,0,0,0|2,0,0]=2 1967 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [0,0,0,0,0,0|2,0,0]=2 1968 B13R0.336 O=CCNCCCCCCCCCO 2230a_100000078944_200015260668 [0,0,0,0,0,0|2,0,0]=2 1969 B13R0.336 O=CCNCCCCCCCCCO 34a_100000078944_200009817547 [0,0,0,0,0,0|2,0,0]=2 1970 B13R0.336 O=CCNCCCOCCOCCO 2230a_100011996194_200015260668 [0,0,0,0,0,0|4,0,0]=4 1971 B13R0.336 O=CCNCCCOCCOCCO 34a_100011996194_200009817547 [0,0,0,0,0,0|4,0,0]=4 1972 B13R0.336 O=CCOCCCCCCCCCBr 34a_100009813782_200009817547 [0,0,0,0,0,0|2,0,0]=2 1973 B13R0.336 O=CCOCCCCCCCCCBr 7a_100009813782_200015260668 [0,0,0,0,0,0|2,0,0]=2 1974 B13R0.336 O=CCOCCCCCCCCCCl 34a_100009868337_200009817547 [0,0,0,0,0,0|2,0,0]=2 1975 B13R0.336 O=CCOCCCCCCCCCCl 7a_100009868337_200015260668 [0,0,0,0,0,0|2,0,0]=2 1976 B13R0.336 O=CCSCCCCCCCCCO 62a_100009813782_200015260668 [0,0,0,0,0,0|2,0,0]=2 1977 B13R0.336 O=CCSCCCCCCCCCO 62a_200015260668_100009813782 [0,0,0,0,0,0|2,0,0]=2 1978 B13R0.336 OCCCCCCCCCCNCF 34a_100000066964_100015361967 [0,0,0,0,0,0|2,0,2]=4 1979 B13R0.336 OCCCCCCCCCCSCF 62a_100009813290_100015361967 [0,0,0,0,0,0|2,0,2]=4 1980 B13R0.336 OCCCCCCCCCCSCF 62a_100015361967_200000033068 [0,0,0,0,0,0|2,0,2]=4 1981 B13R0.336 OCCCCCCCCCNCCF 2230a_100000078944_100011217306 [0,0,0,0,0,0|2,0,2]=4 1982 B13R0.336 OCCCCCCCCCNCCF 34a_100000078944_100011217306 [0,0,0,0,0,0|2,0,2]=4 1983 B13R0.336 OCCCCCCCCCNCCF 34a_100000724931_100009813782 [0,0,0,0,0,0|2,0,2]=4 1984 B13R0.336 OCCCCCCCCCNCCO 2230a_100000078944_100000211926 [0,0,0,0,0,0|2,0,2]=4 1985 B13R0.336 OCCCCCCCCCNCCO 2230a_100016997473_100009813782 [0,0,0,0,0,0|2,0,2]=4 1986 B13R0.336 OCCCCCCCCCNCCO 34a_100000078944_100000211926 [0,0,0,0,0,0|2,0,2]=4 1987 B13R0.336 OCCCCCCCCCNCCO 34a_100016990907_100009813782 [0,0,0,0,0,0|2,0,2]=4 1988 B13R0.336 OCCCCCCCCCOCCBr 34a_100000211926_100009813782 [0,0,0,0,0,0|2,0,2]=4 1989 B13R0.336 OCCCCCCCCCSCCF 62a_100009813782_100011217306 [0,0,0,0,0,0|2,0,2]=4 1990 B13R0.336 OCCCCCCCCCSCCF 62a_100011217306_100009813782 [0,0,0,0,0,0|2,0,2]=4 1991 B13R0.336 OCCCCCCCCCSCCO 62a_100000211926_100009813782 [0,0,0,0,0,0|2,0,2]=4 1992 B13R0.336 OCCCCCCCCCSCCO 62a_100009813782_100000211926 [0,0,0,0,0,0|2,0,2]=4 1993 B13R0.336 OCCCCCCCCNCCCF 2230a_100015189416_100000033203 [0,0,0,0,0,0|2,0,2]=4 1994 B13R0.336 OCCCCCCCCNCCCF 2230a_102515433106_100011934791 [0,0,0,0,0,0|2,0,2]=4 1995 B13R0.336 OCCCCCCCCNCCCF 34a_100015189416_100000033203 [0,0,0,0,0,0|2,0,2]=4 1996 B13R0.336 OCCCCCCCCNCCCF 34a_102515433106_100011934791 [0,0,0,0,0,0|2,0,2]=4 1997 B13R0.336 OCCCCCCCCNCCCO 2230a_102515433106_100000230001 [0,0,0,0,0,0|2,0,2]=4 1998 B13R0.336 OCCCCCCCCNCCCO 34a_102515433106_100000230001 [0,0,0,0,0,0|2,0,2]=4 1999 B13R0.336 OCCCCCCCCOCCCBr 34a_100011217188_100000033203 [0,0,0,0,0,0|2,0,2]=4 2000 B13R0.336 OCCCCCCCCOCCCCl 34a_100000230001_100000033203 [0,0,0,0,0,0|2,0,2]=4 2001 B13R0.336 OCCCCCCCCOCCCF 34a_100000759539_100000033203 [0,0,0,0,0,0|2,0,2]=4 2002 B13R0.336 OCCCCCCCCSCCCF 62a_100000033203_100011934791 [0,0,0,0,0,0|2,0,2]=4 2003 B13R0.336 OCCCCCCCCSCCCF 62a_100011934791_100000033203 [0,0,0,0,0,0|2,0,2]=4 2004 B13R0.336 OCCCCCCCCSCCCO 62a_100000033203_100011215043 [0,0,0,0,0,0|2,0,2]=4 2005 B13R0.336 OCCCCCCCCSCCCO 62a_100011215043_100000033203 [0,0,0,0,0,0|2,0,2]=4 2006 B13R0.336 OCCCCCCCNCCCCF 2230a_100011996573_100000729493 [0,0,0,0,0,0|2,0,2]=4 2007 B13R0.336 OCCCCCCCNCCCCF 34a_100011996573_100000729493 [0,0,0,0,0,0|2,0,2]=4 2008 B13R0.336 OCCCCCCCNCCCCO 2230a_100000750430_100000760002 [0,0,0,0,0,0|2,0,2]=4 2009 B13R0.336 OCCCCCCCNCCCCO 2230a_100011996573_100000210776 [0,0,0,0,0,0|2,0,2]=4 2010 B13R0.336 OCCCCCCCNCCCCO 34a_100000750430_100000760002 [0,0,0,0,0,0|2,0,2]=4 2011 B13R0.336 OCCCCCCCNCCCCO 34a_100011996573_100011216708 [0,0,0,0,0,0|2,0,2]=4 2012 B13R0.336 OCCCCCCCOCCCCBr 34a_100011216708_100000760002 [0,0,0,0,0,0|2,0,2]=4 2013 B13R0.336 OCCCCCCCOCCCCCl 34a_100000210776_100000760002 [0,0,0,0,0,0|2,0,2]=4 2014 B13R0.336 OCCCCCCCOCCCCCl 7a_100000210776_100000760002 [0,0,0,0,0,0|2,0,2]=4 2015 B13R0.336 OCCCCCCCOCCCCF 34a_100011995726_100000760002 [0,0,0,0,0,0|2,0,2]=4 2016 B13R0.336 OCCCCCCCOCCCCF 7a_100011995726_100000760002 [0,0,0,0,0,0|2,0,2]=4 2017 B13R0.336 OCCCCCCCOCCCCI 34a_200012148704_100000760002 [0,0,0,0,0,0|2,0,2]=4 2018 B13R0.336 OCCCCCCCSCCCCF 62a_100000729493_100000760002 [0,0,0,0,0,0|2,0,2]=4 2019 B13R0.336 OCCCCCCCSCCCCF 62a_100000760002_100000729493 [0,0,0,0,0,0|2,0,2]=4 2020 B13R0.336 OCCCCCCCSCCCCO 62a_100000210776_100000760002 [0,0,0,0,0,0|2,0,2]=4 2021 B13R0.336 OCCCCCCCSCCCCO 62a_100000760002_100000210776 [0,0,0,0,0,0|2,0,2]=4 2022 B13R0.336 OCCCCCCNCCCCCF 2230a_100000686447_100000729378 [0,0,0,0,0,0|2,0,2]=4 2023 B13R0.336 OCCCCCCNCCCCCF 34a_100000686447_100000729378 [0,0,0,0,0,0|2,0,2]=4 2024 B13R0.336 OCCCCCCNCCCCCO 2230a_100000686447_100000746330 [0,0,0,0,0,0|2,0,2]=4 2025 B13R0.336 OCCCCCCNCCCCCO 2230a_100000762737_100000766143 [0,0,0,0,0,0|2,0,2]=4 2026 B13R0.336 OCCCCCCNCCCCCO 34a_100000686447_100000746330 [0,0,0,0,0,0|2,0,2]=4 2027 B13R0.336 OCCCCCCNCCCCCO 34a_100000762737_100000766143 [0,0,0,0,0,0|2,0,2]=4 2028 B13R0.336 OCCCCCCOCCCCCBr 34a_100000746331_100000766143 [0,0,0,0,0,0|2,0,2]=4 2029 B13R0.336 OCCCCCCOCCCCCBr 7a_100000746331_100000766143 [0,0,0,0,0,0|2,0,2]=4 2030 B13R0.336 OCCCCCCOCCCCCCl 34a_100000746330_100000766143 [0,0,0,0,0,0|2,0,2]=4 2031 B13R0.336 OCCCCCCOCCCCCCl 7a_100000746330_100000766143 [0,0,0,0,0,0|2,0,2]=4 2032 B13R0.336 OCCCCCCOCCCCCI 34a_200012148887_100000766143 [0,0,0,0,0,0|2,0,2]=4 2033 B13R0.336 OCCCCCCOCCCCCI 7a_200012148887_100000766143 [0,0,0,0,0,0|2,0,2]=4 2034 B13R0.336 OCCCCCCSCCCCCF 62a_100000729378_100000766143 [0,0,0,0,0,0|2,0,2]=4 2035 B13R0.336 OCCCCCCSCCCCCF 62a_100000766143_100000729378 [0,0,0,0,0,0|2,0,2]=4 2036 B13R0.336 OCCCCCCSCCCCCO 62a_100000746330_100000766143 [0,0,0,0,0,0|2,0,2]=4 2037 B13R0.336 OCCCCCCSCCCCCO 62a_100000766143_100000746330 [0,0,0,0,0,0|2,0,2]=4 2038 B13R0.336 OCCCCCNCCCCCCF 2230a_100000762737_100015922095 [0,0,0,0,0,0|2,0,2]=4 2039 B13R0.336 OCCCCCNCCCCCCF 34a_100000762737_100015922095 [0,0,0,0,0,0|2,0,2]=4 2040 B13R0.336 OCCCCCOCCCCCCBr 34a_100011215345_100000746330 [0,0,0,0,0,0|2,0,2]=4 2041 B13R0.336 OCCCCCOCCCCCCBr 7a_100011215345_100000746330 [0,0,0,0,0,0|2,0,2]=4 2042 B13R0.336 OCCCCCOCCCCCCCl 34a_100000766143_100000746330 [0,0,0,0,0,0|2,0,2]=4 2043 B13R0.336 OCCCCCOCCCCCCCl 7a_100000766143_100000746330 [0,0,0,0,0,0|2,0,2]=4 2044 B13R0.336 OCCCCCOCCCCCCF 34a_100000732779_100000746330 [0,0,0,0,0,0|2,0,2]=4 2045 B13R0.336 OCCCCCOCCCCCCF 7a_100000732779_100000746330 [0,0,0,0,0,0|2,0,2]=4 2046 B13R0.336 OCCCCCSCCCCCCF 62a_100000746330_100015922095 [0,0,0,0,0,0|2,0,2]=4 2047 B13R0.336 OCCCCCSCCCCCCF 62a_100015922095_100000746330 [0,0,0,0,0,0|2,0,2]=4 2048 B13R0.336 OCCCCOCCCCCCCBr 34a_100000760002_100011216708 [0,0,0,0,0,0|2,0,2]=4 2049 B13R0.336 OCCCCOCCCCCCCBr 7a_100000760002_100000210776 [0,0,0,0,0,0|2,0,2]=4 2050 B13R0.336 OCCCOCCCCCCCCBr 34a_100009813846_100000230001 [0,0,0,0,0,0|2,0,2]=4 2051 B13R0.336 OCCCOCCCCCCCCBr 7a_100009813846_100011215043 [0,0,0,0,0,0|2,0,2]=4 2052 B13R0.336 OCCCOCCCCCCCCCl 34a_100000033203_100000230001 [0,0,0,0,0,0|2,0,2]=4 2053 B13R0.336 OCCCOCCCCCCCCCl 7a_100000033203_100011215043 [0,0,0,0,0,0|2,0,2]=4 2054 B13R0.336 OCCOCCCCCCCCCBr 34a_100009813782_100000211926 [0,0,0,0,0,0|2,0,2]=4 2055 B13R0.336 OCCOCCCCCCCCCBr 7a_100009813782_100000211926 [0,0,0,0,0,0|2,0,2]=4 2056 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [0,0,0,0,0,0|2,0,2]=4 2057 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [0,0,0,0,0,0|2,0,2]=4 2058 B13R0.336 [13CH3]OCCCCCCCCCCCBr 34a_100009812471_200025704644 [0,0,0,0,0,0|2,0,1]=3 2059 B13R0.336 [13CH3]OCCCCCCCCCCCBr 7a_100009812471_200025704644 [0,0,0,0,0,0|2,0,1]=3 2060 B13R0.336 [13CH3]SCCCCCCCCCCCO 62a_100009812471_200025704644 [0,0,0,0,0,0|1,0,2]=3 2061 B13R0.336 [N-]=[N+]=NCCCCNCCCCC=O 2230a_100000101370_100000139335 [0,0,0,0,0,0|4,0,0]=4 2062 B13R0.336 [N-]=[N+]=NCCCNCCCCCC=O 2230a_100000744732_100000139337 [0,0,0,0,0,0|4,0,0]=4 2063 B12R0.5 C#CCCCCCCCCCOC 34a_100000034437_200000210301 [1,0,0,0,0,0|1,0,2]=4 2064 B12R0.5 C#CCCCCCCCCCOC 7a_100000034437_200000210301 [1,0,0,0,0,0|1,0,2]=4 2065 B12R0.5 C#CCCCCCCCCCO[13CH3] 34a_100000034437_200025704644 [1,0,0,0,0,0|1,0,2]=4 2066 B12R0.5 C#CCCCCCCCCCO[13CH3] 7a_100000034437_200025704644 [1,0,0,0,0,0|1,0,2]=4 2067 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [1,0,0,0,0,0|1,0,2]=4 2068 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [1,0,0,0,0,0|1,0,2]=4 2069 B12R0.5 C#CCCCCCCCOCC=O 34a_100000054614_200009817547 [1,0,0,0,0,0|1,0,2]=4 2070 B12R0.5 C#CCCCCCCCOCC=O 7a_100000054614_200015260668 [1,0,0,0,0,0|1,0,2]=4 2071 B12R0.5 C#CCCCCCCCOCCC 34a_100000054614_100000210303 [1,0,0,0,0,0|1,0,2]=4 2072 B12R0.5 C#CCCCCCCCOCCC 34a_100000210258_100153394163 [1,0,0,0,0,0|1,0,2]=4 2073 B12R0.5 C#CCCCCCCCOCCC 7a_100000054614_100000210303 [1,0,0,0,0,0|1,0,2]=4 2074 B12R0.5 C#CCCCCCCCSCC=O 62a_100153394163_200015260668 [1,0,0,0,0,0|1,0,2]=4 2075 B12R0.5 C#CCCCCCCCSCC=O 62a_200015260668_100153394163 [1,0,0,0,0,0|1,0,2]=4 2076 B12R0.5 C#CCCCCCCCSCCC 62a_100000210303_100153394163 [1,0,0,0,0,0|1,0,2]=4 2077 B12R0.5 C#CCCCCCCCSCCC 62a_100153394163_100000210303 [1,0,0,0,0,0|1,0,2]=4 2078 B12R0.5 C#CCCCCCCNCCCC 2230a_100000102301_100012276617 [1,0,0,0,0,0|1,0,2]=4 2079 B12R0.5 C#CCCCCCCNCCCC 7a_106832991798_100012276617 [1,0,0,0,0,0|1,0,2]=4 2080 B12R0.5 C#CCCCCCCOCCCC 34a_100000210227_100012276617 [1,0,0,0,0,0|1,0,2]=4 2081 B12R0.5 C#CCCCCCCOCCCC 34a_100011217361_100000210210 [1,0,0,0,0,0|1,0,2]=4 2082 B12R0.5 C#CCCCCCCOCCCC 7a_100000210227_100012276617 [1,0,0,0,0,0|1,0,2]=4 2083 B12R0.5 C#CCCCCCCOCCCC 7a_100011217361_100000210211 [1,0,0,0,0,0|1,0,2]=4 2084 B12R0.5 C#CCCCCCCSCCCC 62a_100000210211_100012276617 [1,0,0,0,0,0|1,0,2]=4 2085 B12R0.5 C#CCCCCCCSCCCC 62a_100012276617_100000210210 [1,0,0,0,0,0|1,0,2]=4 2086 B12R0.5 C#CCCCCCNCCCCC 2230a_100000209983_100012094781 [1,0,0,0,0,0|1,0,2]=4 2087 B12R0.5 C#CCCCCCOCCCC=O 7a_100000766912_200011292268 [1,0,0,0,0,0|1,0,2]=4 2088 B12R0.5 C#CCCCCCOCCCCC 34a_100000210253_100012094781 [1,0,0,0,0,0|1,0,2]=4 2089 B12R0.5 C#CCCCCCOCCCCC 34a_100000766912_100000718602 [1,0,0,0,0,0|1,0,2]=4 2090 B12R0.5 C#CCCCCCOCCCCC 7a_100000210253_100012094781 [1,0,0,0,0,0|1,0,2]=4 2091 B12R0.5 C#CCCCCCOCCCCC 7a_100000766912_100000210326 [1,0,0,0,0,0|1,0,2]=4 2092 B12R0.5 C#CCCCCCSCCCC=O 62a_100012094781_200011292268 [1,0,0,0,0,0|1,0,2]=4 2093 B12R0.5 C#CCCCCCSCCCC=O 62a_200011292268_100012094781 [1,0,0,0,0,0|1,0,2]=4 2094 B12R0.5 C#CCCCCCSCCCCC 62a_100000210326_100012094781 [1,0,0,0,0,0|1,0,2]=4 2095 B12R0.5 C#CCCCCCSCCCCC 62a_100012094781_100000210326 [1,0,0,0,0,0|1,0,2]=4 2096 B12R0.5 C#CCCCCNCCCCC=O 2230a_100000706060_100000139335 [1,0,0,0,0,0|1,0,2]=4 2097 B12R0.5 C#CCCCCNCCCCCC 2230a_100000210581_100010269958 [1,0,0,0,0,0|1,0,2]=4 2098 B12R0.5 C#CCCCCNCCCCCC 2230a_100000706060_100000210314 [1,0,0,0,0,0|1,0,2]=4 2099 B12R0.5 C#CCCCCNCCCCCC 34a_100000706060_100000210314 [1,0,0,0,0,0|1,0,2]=4 2100 B12R0.5 C#CCCCCOCCCCC=O 7a_100000766709_100000139335 [1,0,0,0,0,0|1,0,2]=4 2101 B12R0.5 C#CCCCCOCCCCCC 34a_100000210259_100010269958 [1,0,0,0,0,0|1,0,2]=4 2102 B12R0.5 C#CCCCCOCCCCCC 34a_100000766709_100000210314 [1,0,0,0,0,0|1,0,2]=4 2103 B12R0.5 C#CCCCCOCCCCCC 7a_100000210259_100010269958 [1,0,0,0,0,0|1,0,2]=4 2104 B12R0.5 C#CCCCCOCCCCCC 7a_100000766709_100000210314 [1,0,0,0,0,0|1,0,2]=4 2105 B12R0.5 C#CCCCCSCCCCC=O 62a_100000139335_100010269958 [1,0,0,0,0,0|1,0,2]=4 2106 B12R0.5 C#CCCCCSCCCCC=O 62a_100010269958_100000139335 [1,0,0,0,0,0|1,0,2]=4 2107 B12R0.5 C#CCCCCSCCCCCC 62a_100000210314_100010269958 [1,0,0,0,0,0|1,0,2]=4 2108 B12R0.5 C#CCCCCSCCCCCC 62a_100010269958_100000210757 [1,0,0,0,0,0|1,0,2]=4 2109 B12R0.5 C#CCCCNCCCCCCC 2230a_100000229938_100000731252 [1,0,0,0,0,0|1,0,2]=4 2110 B12R0.5 C#CCCCNCCCCCCC 34a_100000718082_100000210614 [1,0,0,0,0,0|1,0,2]=4 2111 B12R0.5 C#CCCCOCCCCCC=O 7a_100000215630_100000139337 [1,0,0,0,0,0|1,0,2]=4 2112 B12R0.5 C#CCCCOCCCCCCC 34a_100000210272_100000695029 [1,0,0,0,0,0|1,0,2]=4 2113 B12R0.5 C#CCCCOCCCCCCC 34a_100000215630_100000210614 [1,0,0,0,0,0|1,0,2]=4 2114 B12R0.5 C#CCCCOCCCCCCC 7a_100000210272_100011215417 [1,0,0,0,0,0|1,0,2]=4 2115 B12R0.5 C#CCCCOCCCCCCC 7a_100000215630_100000210614 [1,0,0,0,0,0|1,0,2]=4 2116 B12R0.5 C#CCCCSCCCCCC=O 62a_100000139337_100011215417 [1,0,0,0,0,0|1,0,2]=4 2117 B12R0.5 C#CCCCSCCCCCC=O 62a_100011215417_100000139337 [1,0,0,0,0,0|1,0,2]=4 2118 B12R0.5 C#CCCCSCCCCCCC 62a_100000210614_100011215417 [1,0,0,0,0,0|1,0,2]=4 2119 B12R0.5 C#CCCCSCCCCCCC 62a_100011215417_100000210316 [1,0,0,0,0,0|1,0,2]=4 2120 B12R0.5 C#CCCNCCCCCCCC 2230a_100000229939_100000688953 [1,0,0,0,0,0|1,0,2]=4 2121 B12R0.5 C#CCCNCCCCCCCC 34a_100000229939_100000688953 [1,0,0,0,0,0|1,0,2]=4 2122 B12R0.5 C#CCCNCCCCCCCC 34a_100000755551_100000210759 [1,0,0,0,0,0|1,0,2]=4 2123 B12R0.5 C#CCCOCCCCCCCC 34a_100000210232_100000688953 [1,0,0,0,0,0|1,0,2]=4 2124 B12R0.5 C#CCCOCCCCCCCC 34a_100011215631_100000210759 [1,0,0,0,0,0|1,0,2]=4 2125 B12R0.5 C#CCCOCCCCCCCC 7a_100000210232_100000688953 [1,0,0,0,0,0|1,0,2]=4 2126 B12R0.5 C#CCCSCCCCCCCC 62a_100000210759_100000688953 [1,0,0,0,0,0|1,0,2]=4 2127 B12R0.5 C#CCCSCCCCCCCC 62a_100000688953_100000210317 [1,0,0,0,0,0|1,0,2]=4 2128 B12R0.5 C#CCNCCCCCCCCC 2230a_100000212291_100000038162 [1,0,0,0,0,0|1,0,2]=4 2129 B12R0.5 C#CCNCCCCCCCCC 34a_100000212058_100011214924 [1,0,0,0,0,0|1,0,2]=4 2130 B12R0.5 C#CCNCCCCCCCCC 34a_100000212291_100000184674 [1,0,0,0,0,0|1,0,2]=4 2131 B12R0.5 C#CCOCCCCCCCCC 34a_100000210247_100011214924 [1,0,0,0,0,0|1,0,2]=4 2132 B12R0.5 C#CCOCCCCCCCCC 34a_100000210712_100000184674 [1,0,0,0,0,0|1,0,2]=4 2133 B12R0.5 C#CCOCCCCCCCCC 7a_100000210712_100000038162 [1,0,0,0,0,0|1,0,2]=4 2134 B12R0.5 C#CCSCCCCCCCCC 62a_100000038162_100000210670 [1,0,0,0,0,0|1,0,2]=4 2135 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [1,0,0,0,0,0|2,0,1]=4 2136 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [1,0,0,0,0,0|2,0,1]=4 2137 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [1,0,0,0,0,0|2,0,1]=4 2138 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [1,0,0,0,0,0|2,0,1]=4 2139 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [1,0,0,0,0,0|2,0,1]=4 2140 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [1,0,0,0,0,0|2,0,1]=4 2141 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [1,0,0,0,0,0|2,0,1]=4 2142 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [1,0,0,0,0,0|1,0,1]=3 2143 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [1,0,0,0,0,0|1,0,1]=3 2144 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [1,0,0,0,0,0|1,0,1]=3 2145 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [1,0,0,0,0,0|1,0,1]=3 2146 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [1,0,0,0,0,0|1,0,1]=3 2147 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [1,0,0,0,0,0|1,0,1]=3 2148 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [1,0,0,0,0,0|1,0,1]=3 2149 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [1,0,0,0,0,0|1,0,1]=3 2150 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [1,0,0,0,0,0|1,0,1]=3 2151 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [1,0,0,0,0,0|1,0,1]=3 2152 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [1,0,0,0,0,0|1,0,1]=3 2153 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [1,0,0,0,0,0|1,0,1]=3 2154 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [1,0,0,0,0,0|1,0,1]=3 2155 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [1,0,0,0,0,0|1,0,1]=3 2156 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [1,0,0,0,0,0|1,0,1]=3 2157 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [1,0,0,0,0,0|1,0,1]=3 2158 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [1,0,0,0,0,0|1,0,1]=3 2159 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [1,0,0,0,0,0|1,0,1]=3 2160 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [1,0,0,0,0,0|1,0,1]=3 2161 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [1,0,0,0,0,0|1,0,1]=3 2162 B12R0.5 C=CCCCCCCCCOCF 34a_100011215194_100015361967 [1,0,0,0,0,0|2,0,1]=4 2163 B12R0.5 C=CCCCCCCCCOCF 7a_100011215194_100015361967 [1,0,0,0,0,0|2,0,1]=4 2164 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [1,0,0,0,0,0|1,0,1]=3 2165 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [1,0,0,0,0,0|1,0,1]=3 2166 B12R0.5 C=CCCCCCCCCSCF 62a_100011933949_100015361967 [1,0,0,0,0,0|2,0,1]=4 2167 B12R0.5 C=CCCCCCCCCSCF 62a_100015361967_100011933949 [1,0,0,0,0,0|2,0,1]=4 2168 B12R0.5 C=CCCCCCCCNCCF 34a_100000724931_100012355270 [1,0,0,0,0,0|2,0,1]=4 2169 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [1,0,0,0,0,0|2,0,1]=4 2170 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [1,0,0,0,0,0|2,0,1]=4 2171 B12R0.5 C=CCCCCCCCOCC=O 34a_100000730831_200009817547 [1,0,0,0,0,0|1,0,2]=4 2172 B12R0.5 C=CCCCCCCCOCC=O 7a_100000730831_200015260668 [1,0,0,0,0,0|1,0,2]=4 2173 B12R0.5 C=CCCCCCCCOCCBr 34a_100000211926_100012355270 [1,0,0,0,0,0|2,0,1]=4 2174 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [1,0,0,0,0,0|1,0,1]=3 2175 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [1,0,0,0,0,0|1,0,1]=3 2176 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [1,0,0,0,0,0|1,0,1]=3 2177 B12R0.5 C=CCCCCCCCOCCF 34a_100000730831_100011217306 [1,0,0,0,0,0|2,0,1]=4 2178 B12R0.5 C=CCCCCCCCOCCF 7a_100000730831_100011217306 [1,0,0,0,0,0|2,0,1]=4 2179 B12R0.5 C=CCCCCCCCOCCN 34a_100000210304_100012355270 [1,0,0,0,0,0|2,0,1]=4 2180 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [1,0,0,0,0,0|2,0,1]=4 2181 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [1,0,0,0,0,0|2,0,1]=4 2182 B12R0.5 C=CCCCCCCCOCSC 34a_100000730831_100011218213 [1,0,0,0,0,0|2,0,1]=4 2183 B12R0.5 C=CCCCCCCCSCC=O 62a_100012355270_200015260668 [1,0,0,0,0,0|1,0,2]=4 2184 B12R0.5 C=CCCCCCCCSCC=O 62a_200015260668_100012355270 [1,0,0,0,0,0|1,0,2]=4 2185 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [1,0,0,0,0,0|1,0,1]=3 2186 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [1,0,0,0,0,0|1,0,1]=3 2187 B12R0.5 C=CCCCCCCCSCCF 62a_100011217306_100012355270 [1,0,0,0,0,0|2,0,1]=4 2188 B12R0.5 C=CCCCCCCCSCCF 62a_100012355270_100011217306 [1,0,0,0,0,0|2,0,1]=4 2189 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [1,0,0,0,0,0|2,0,1]=4 2190 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [1,0,0,0,0,0|2,0,1]=4 2191 B12R0.5 C=CCCCCCCCSCOC 62a_100000766300_100012355270 [1,0,0,0,0,0|2,0,1]=4 2192 B12R0.5 C=CCCCCCCCSCOC 62a_100012355270_100000766300 [1,0,0,0,0,0|2,0,1]=4 2193 B12R0.5 C=CCCCCCCCSCSC 62a_100011218213_100012355270 [1,0,0,0,0,0|2,0,1]=4 2194 B12R0.5 C=CCCCCCCCSCSC 62a_100012355270_100011218213 [1,0,0,0,0,0|2,0,1]=4 2195 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [1,0,0,0,0,0|1,0,1]=3 2196 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [1,0,0,0,0,0|1,0,1]=3 2197 B12R0.5 C=CCCCCCCNCCCF 2230a_100015189416_100011215473 [1,0,0,0,0,0|2,0,1]=4 2198 B12R0.5 C=CCCCCCCNCCCF 34a_100015189416_100011215473 [1,0,0,0,0,0|2,0,1]=4 2199 B12R0.5 C=CCCCCCCNCCOC 2230a_100000209980_100011215473 [1,0,0,0,0,0|2,0,1]=4 2200 B12R0.5 C=CCCCCCCNCCSC 2230a_100020590264_100011215473 [1,0,0,0,0,0|2,0,1]=4 2201 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [1,0,0,0,0,0|2,0,1]=4 2202 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [1,0,0,0,0,0|1,0,1]=3 2203 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [1,0,0,0,0,0|1,0,1]=3 2204 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [1,0,0,0,0,0|1,0,1]=3 2205 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [1,0,0,0,0,0|1,0,1]=3 2206 B12R0.5 C=CCCCCCCOCCCCl 34a_100000230001_100011215473 [1,0,0,0,0,0|2,0,1]=4 2207 B12R0.5 C=CCCCCCCOCCCF 34a_100000759539_100011215473 [1,0,0,0,0,0|2,0,1]=4 2208 B12R0.5 C=CCCCCCCOCCCF 34a_200011216477_100011934791 [1,0,0,0,0,0|2,0,1]=4 2209 B12R0.5 C=CCCCCCCOCCCF 7a_200011216477_100011934791 [1,0,0,0,0,0|2,0,1]=4 2210 B12R0.5 C=CCCCCCCOCCCN 34a_100000182051_100011215473 [1,0,0,0,0,0|2,0,1]=4 2211 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [1,0,0,0,0,0|2,0,1]=4 2212 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [1,0,0,0,0,0|2,0,1]=4 2213 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [1,0,0,0,0,0|2,0,1]=4 2214 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [1,0,0,0,0,0|2,0,1]=4 2215 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [1,0,0,0,0,0|2,0,1]=4 2216 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [1,0,0,0,0,0|2,0,1]=4 2217 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [1,0,0,0,0,0|2,0,1]=4 2218 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [1,0,0,0,0,0|2,0,1]=4 2219 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [1,0,0,0,0,0|2,0,1]=4 2220 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [1,0,0,0,0,0|1,0,1]=3 2221 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [1,0,0,0,0,0|1,0,1]=3 2222 B12R0.5 C=CCCCCCCSCCCF 62a_100011215473_100011934791 [1,0,0,0,0,0|2,0,1]=4 2223 B12R0.5 C=CCCCCCCSCCCF 62a_100011934791_100011215473 [1,0,0,0,0,0|2,0,1]=4 2224 B12R0.5 C=CCCCCCCSCCCO 62a_100011215043_100011215473 [1,0,0,0,0,0|2,0,1]=4 2225 B12R0.5 C=CCCCCCCSCCCO 62a_100011215473_100011215043 [1,0,0,0,0,0|2,0,1]=4 2226 B12R0.5 C=CCCCCCCSCCOC 62a_100000233755_100011215473 [1,0,0,0,0,0|2,0,1]=4 2227 B12R0.5 C=CCCCCCCSCCOC 62a_100011215473_100000233755 [1,0,0,0,0,0|2,0,1]=4 2228 B12R0.5 C=CCCCCCCSCCSC 62a_100000212216_100011215473 [1,0,0,0,0,0|2,0,1]=4 2229 B12R0.5 C=CCCCCCCSCCSC 62a_100011215473_100000751147 [1,0,0,0,0,0|2,0,1]=4 2230 B12R0.5 C=CCCCCCCSCOCC 62a_100000739092_100011215473 [1,0,0,0,0,0|2,0,1]=4 2231 B12R0.5 C=CCCCCCCSCOCC 62a_100011215473_100000739092 [1,0,0,0,0,0|2,0,1]=4 2232 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [1,0,0,0,0,0|1,0,1]=3 2233 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [1,0,0,0,0,0|2,0,1]=4 2234 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [1,0,0,0,0,0|2,0,1]=4 2235 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [1,0,0,0,0,0|2,0,1]=4 2236 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [1,0,0,0,0,0|2,0,1]=4 2237 B12R0.5 C=CCCCCCNCCOCC 2230a_102516460346_100000700193 [1,0,0,0,0,0|2,0,1]=4 2238 B12R0.5 C=CCCCCCNCCOCC 34a_102516460346_100000700193 [1,0,0,0,0,0|2,0,1]=4 2239 B12R0.5 C=CCCCCCNCCSCC 2230a_100000106463_100000700193 [1,0,0,0,0,0|2,0,1]=4 2240 B12R0.5 C=CCCCCCOCCCC=O 7a_100011216702_200011292268 [1,0,0,0,0,0|1,0,2]=4 2241 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [1,0,0,0,0,0|2,0,1]=4 2242 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [1,0,0,0,0,0|1,0,1]=3 2243 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [1,0,0,0,0,0|1,0,1]=3 2244 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [1,0,0,0,0,0|1,0,1]=3 2245 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [1,0,0,0,0,0|1,0,1]=3 2246 B12R0.5 C=CCCCCCOCCCCCl 34a_100000210776_100000700193 [1,0,0,0,0,0|2,0,1]=4 2247 B12R0.5 C=CCCCCCOCCCCCl 7a_100000210776_100000700193 [1,0,0,0,0,0|2,0,1]=4 2248 B12R0.5 C=CCCCCCOCCCCF 34a_100011216702_100000729493 [1,0,0,0,0,0|2,0,1]=4 2249 B12R0.5 C=CCCCCCOCCCCF 34a_100011995726_100000700193 [1,0,0,0,0,0|2,0,1]=4 2250 B12R0.5 C=CCCCCCOCCCCF 7a_100011216702_100000729493 [1,0,0,0,0,0|2,0,1]=4 2251 B12R0.5 C=CCCCCCOCCCCF 7a_100011995726_100000700193 [1,0,0,0,0,0|2,0,1]=4 2252 B12R0.5 C=CCCCCCOCCCCI 34a_200012148704_100000700193 [1,0,0,0,0,0|2,0,1]=4 2253 B12R0.5 C=CCCCCCOCCCCN 34a_100000750430_100000700193 [1,0,0,0,0,0|2,0,1]=4 2254 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [1,0,0,0,0,0|2,0,1]=4 2255 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [1,0,0,0,0,0|2,0,1]=4 2256 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [1,0,0,0,0,0|2,0,1]=4 2257 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [1,0,0,0,0,0|2,0,1]=4 2258 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [1,0,0,0,0,0|2,0,1]=4 2259 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [1,0,0,0,0,0|2,0,1]=4 2260 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [1,0,0,0,0,0|2,0,1]=4 2261 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [1,0,0,0,0,0|2,0,1]=4 2262 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [1,0,0,0,0,0|2,0,1]=4 2263 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [1,0,0,0,0,0|2,0,1]=4 2264 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [1,0,0,0,0,0|2,0,1]=4 2265 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [1,0,0,0,0,0|2,0,1]=4 2266 B12R0.5 C=CCCCCCOCCSCC 34a_100000212035_100000700193 [1,0,0,0,0,0|2,0,1]=4 2267 B12R0.5 C=CCCCCCOCCSCC 34a_100011216702_100000757381 [1,0,0,0,0,0|2,0,1]=4 2268 B12R0.5 C=CCCCCCOCCSCC 7a_100000212035_100000700193 [1,0,0,0,0,0|2,0,1]=4 2269 B12R0.5 C=CCCCCCOCCSCC 7a_100011216702_100000757381 [1,0,0,0,0,0|2,0,1]=4 2270 B12R0.5 C=CCCCCCSCCCC=O 62a_100000700193_200011292268 [1,0,0,0,0,0|1,0,2]=4 2271 B12R0.5 C=CCCCCCSCCCC=O 62a_200011292268_100000700193 [1,0,0,0,0,0|1,0,2]=4 2272 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [1,0,0,0,0,0|1,0,1]=3 2273 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [1,0,0,0,0,0|1,0,1]=3 2274 B12R0.5 C=CCCCCCSCCCCF 62a_100000700193_100000729493 [1,0,0,0,0,0|2,0,1]=4 2275 B12R0.5 C=CCCCCCSCCCCF 62a_100000729493_100000700193 [1,0,0,0,0,0|2,0,1]=4 2276 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [1,0,0,0,0,0|2,0,1]=4 2277 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [1,0,0,0,0,0|2,0,1]=4 2278 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [1,0,0,0,0,0|2,0,1]=4 2279 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [1,0,0,0,0,0|2,0,1]=4 2280 B12R0.5 C=CCCCCCSCCOCC 62a_100000210147_100000700193 [1,0,0,0,0,0|2,0,1]=4 2281 B12R0.5 C=CCCCCCSCCOCC 62a_100000700193_100011215890 [1,0,0,0,0,0|2,0,1]=4 2282 B12R0.5 C=CCCCCCSCCSCC 62a_100000700193_100000757381 [1,0,0,0,0,0|2,0,1]=4 2283 B12R0.5 C=CCCCCCSCCSCC 62a_100000757381_100000700193 [1,0,0,0,0,0|2,0,1]=4 2284 B12R0.5 C=CCCCCNCCCCC=O 2230a_100000703577_100000139335 [1,0,0,0,0,0|1,0,2]=4 2285 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [1,0,0,0,0,0|1,0,1]=3 2286 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [1,0,0,0,0,0|1,0,1]=3 2287 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [1,0,0,0,0,0|1,0,1]=3 2288 B12R0.5 C=CCCCCNCCCCCF 2230a_100000703577_100000729378 [1,0,0,0,0,0|2,0,1]=4 2289 B12R0.5 C=CCCCCNCCCCCF 34a_100000703577_100000729378 [1,0,0,0,0,0|2,0,1]=4 2290 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [1,0,0,0,0,0|2,0,1]=4 2291 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [1,0,0,0,0,0|2,0,1]=4 2292 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [1,0,0,0,0,0|2,0,1]=4 2293 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [1,0,0,0,0,0|2,0,1]=4 2294 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [1,0,0,0,0,0|2,0,1]=4 2295 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [1,0,0,0,0,0|2,0,1]=4 2296 B12R0.5 C=CCCCCNCCCOCC 2230a_100000210961_100011215482 [1,0,0,0,0,0|2,0,1]=4 2297 B12R0.5 C=CCCCCNCCCOCC 2230a_100000703577_100012232248 [1,0,0,0,0,0|2,0,1]=4 2298 B12R0.5 C=CCCCCNCCCOCC 34a_100000210961_100011215482 [1,0,0,0,0,0|2,0,1]=4 2299 B12R0.5 C=CCCCCNCCCOCC 34a_100000703577_100012232248 [1,0,0,0,0,0|2,0,1]=4 2300 B12R0.5 C=CCCCCNCCOCCC 2230a_100000703577_100011215938 [1,0,0,0,0,0|2,0,1]=4 2301 B12R0.5 C=CCCCCNCCOCCC 2230a_100161115042_100011215482 [1,0,0,0,0,0|2,0,1]=4 2302 B12R0.5 C=CCCCCNCCOCCC 34a_100000703577_100011215938 [1,0,0,0,0,0|2,0,1]=4 2303 B12R0.5 C=CCCCCNCCOCCC 34a_100161115042_100011215482 [1,0,0,0,0,0|2,0,1]=4 2304 B12R0.5 C=CCCCCNCCSCCC 2230a_100020603323_100011215482 [1,0,0,0,0,0|2,0,1]=4 2305 B12R0.5 C=CCCCCNCOCCCC 2230a_100000703577_100011995733 [1,0,0,0,0,0|2,0,1]=4 2306 B12R0.5 C=CCCCCNCOCCCC 34a_100000703577_100011995733 [1,0,0,0,0,0|2,0,1]=4 2307 B12R0.5 C=CCCCCOCCCCC=O 7a_100000766645_100000139335 [1,0,0,0,0,0|1,0,2]=4 2308 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [1,0,0,0,0,0|2,0,1]=4 2309 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [1,0,0,0,0,0|2,0,1]=4 2310 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [1,0,0,0,0,0|1,0,1]=3 2311 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [1,0,0,0,0,0|1,0,1]=3 2312 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [1,0,0,0,0,0|1,0,1]=3 2313 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [1,0,0,0,0,0|1,0,1]=3 2314 B12R0.5 C=CCCCCOCCCCCCl 34a_100000746330_100011215482 [1,0,0,0,0,0|2,0,1]=4 2315 B12R0.5 C=CCCCCOCCCCCCl 7a_100000746330_100011215482 [1,0,0,0,0,0|2,0,1]=4 2316 B12R0.5 C=CCCCCOCCCCCF 34a_100000766645_100000729378 [1,0,0,0,0,0|2,0,1]=4 2317 B12R0.5 C=CCCCCOCCCCCF 7a_100000766645_100000729378 [1,0,0,0,0,0|2,0,1]=4 2318 B12R0.5 C=CCCCCOCCCCCI 34a_200012148887_100011215482 [1,0,0,0,0,0|2,0,1]=4 2319 B12R0.5 C=CCCCCOCCCCCI 7a_200012148887_100011215482 [1,0,0,0,0,0|2,0,1]=4 2320 B12R0.5 C=CCCCCOCCCCCN 34a_100000762737_100011215482 [1,0,0,0,0,0|2,0,1]=4 2321 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [1,0,0,0,0,0|2,0,1]=4 2322 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [1,0,0,0,0,0|2,0,1]=4 2323 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [1,0,0,0,0,0|2,0,1]=4 2324 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [1,0,0,0,0,0|2,0,1]=4 2325 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [1,0,0,0,0,0|2,0,1]=4 2326 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [1,0,0,0,0,0|2,0,1]=4 2327 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [1,0,0,0,0,0|2,0,1]=4 2328 B12R0.5 C=CCCCCOCCCOCC 34a_100000757476_100011215482 [1,0,0,0,0,0|2,0,1]=4 2329 B12R0.5 C=CCCCCOCCCOCC 34a_100000766645_100012232248 [1,0,0,0,0,0|2,0,1]=4 2330 B12R0.5 C=CCCCCOCCCOCC 7a_100000757476_100011215482 [1,0,0,0,0,0|2,0,1]=4 2331 B12R0.5 C=CCCCCOCCCOCC 7a_100000766645_100012232248 [1,0,0,0,0,0|2,0,1]=4 2332 B12R0.5 C=CCCCCOCCCSCC 34a_100011216438_100011215482 [1,0,0,0,0,0|2,0,1]=4 2333 B12R0.5 C=CCCCCOCCCSCC 7a_100011216438_100011215482 [1,0,0,0,0,0|2,0,1]=4 2334 B12R0.5 C=CCCCCOCCOCCC 34a_100000752267_100011215482 [1,0,0,0,0,0|2,0,1]=4 2335 B12R0.5 C=CCCCCOCCOCCC 34a_100000766645_100011215938 [1,0,0,0,0,0|2,0,1]=4 2336 B12R0.5 C=CCCCCOCCOCCC 7a_100000752267_100011215482 [1,0,0,0,0,0|2,0,1]=4 2337 B12R0.5 C=CCCCCOCCOCCC 7a_100000766645_100011215938 [1,0,0,0,0,0|2,0,1]=4 2338 B12R0.5 C=CCCCCOCCSCCC 34a_200000230433_100011215482 [1,0,0,0,0,0|2,0,1]=4 2339 B12R0.5 C=CCCCCOCCSCCC 7a_200000230433_100011215482 [1,0,0,0,0,0|2,0,1]=4 2340 B12R0.5 C=CCCCCOCOCCCC 34a_100000766645_100011995733 [1,0,0,0,0,0|2,0,1]=4 2341 B12R0.5 C=CCCCCSCCCCC=O 62a_100000139335_100011215482 [1,0,0,0,0,0|1,0,2]=4 2342 B12R0.5 C=CCCCCSCCCCC=O 62a_100011215482_100000139335 [1,0,0,0,0,0|1,0,2]=4 2343 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [1,0,0,0,0,0|1,0,1]=3 2344 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [1,0,0,0,0,0|1,0,1]=3 2345 B12R0.5 C=CCCCCSCCCCCF 62a_100000729378_100011215482 [1,0,0,0,0,0|2,0,1]=4 2346 B12R0.5 C=CCCCCSCCCCCF 62a_100011215482_100000729378 [1,0,0,0,0,0|2,0,1]=4 2347 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [1,0,0,0,0,0|2,0,1]=4 2348 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [1,0,0,0,0,0|2,0,1]=4 2349 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [1,0,0,0,0,0|2,0,1]=4 2350 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [1,0,0,0,0,0|2,0,1]=4 2351 B12R0.5 C=CCCCCSCCCOCC 62a_100011215482_100012232248 [1,0,0,0,0,0|2,0,1]=4 2352 B12R0.5 C=CCCCCSCCCOCC 62a_100012232248_100011215482 [1,0,0,0,0,0|2,0,1]=4 2353 B12R0.5 C=CCCCCSCCOCCC 62a_100011215482_100011215938 [1,0,0,0,0,0|2,0,1]=4 2354 B12R0.5 C=CCCCCSCCOCCC 62a_100011215938_100011215482 [1,0,0,0,0,0|2,0,1]=4 2355 B12R0.5 C=CCCCCSCOCCCC 62a_100011215482_100011995733 [1,0,0,0,0,0|2,0,1]=4 2356 B12R0.5 C=CCCCCSCOCCCC 62a_100011995733_100011215482 [1,0,0,0,0,0|2,0,1]=4 2357 B12R0.5 C=CCCCNCCCCCC=O 2230a_100000700776_100000139337 [1,0,0,0,0,0|1,0,2]=4 2358 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [1,0,0,0,0,0|1,0,1]=3 2359 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [1,0,0,0,0,0|1,0,1]=3 2360 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [1,0,0,0,0,0|1,0,1]=3 2361 B12R0.5 C=CCCCNCCCCCCF 2230a_100000700776_100015922095 [1,0,0,0,0,0|2,0,1]=4 2362 B12R0.5 C=CCCCNCCCCCCF 34a_100000700776_100015922095 [1,0,0,0,0,0|2,0,1]=4 2363 B12R0.5 C=CCCCNCCCCCCO 2230a_100000686447_100011713584 [1,0,0,0,0,0|2,0,1]=4 2364 B12R0.5 C=CCCCNCCCCCCO 2230a_100000700776_100000766143 [1,0,0,0,0,0|2,0,1]=4 2365 B12R0.5 C=CCCCNCCCCCCO 34a_100000686447_100000757094 [1,0,0,0,0,0|2,0,1]=4 2366 B12R0.5 C=CCCCNCCCCCCO 34a_100000700776_100000766143 [1,0,0,0,0,0|2,0,1]=4 2367 B12R0.5 C=CCCCNCCCCCOC 2230a_100000747528_100011713584 [1,0,0,0,0,0|2,0,1]=4 2368 B12R0.5 C=CCCCNCCCCCOC 34a_100000747528_100000757094 [1,0,0,0,0,0|2,0,1]=4 2369 B12R0.5 C=CCCCNCCCOCCC 2230a_100011217757_100011713584 [1,0,0,0,0,0|2,0,1]=4 2370 B12R0.5 C=CCCCNCCCOCCC 34a_100011217757_100000757094 [1,0,0,0,0,0|2,0,1]=4 2371 B12R0.5 C=CCCCNCCOCCCC 2230a_100000700776_100000743108 [1,0,0,0,0,0|2,0,1]=4 2372 B12R0.5 C=CCCCNCCOCCCC 34a_100000700776_100000743108 [1,0,0,0,0,0|2,0,1]=4 2373 B12R0.5 C=CCCCNCCSCCCC 2230a_100025743550_100011713584 [1,0,0,0,0,0|2,0,1]=4 2374 B12R0.5 C=CCCCOCCCCCC=O 7a_100000758997_100000139337 [1,0,0,0,0,0|1,0,2]=4 2375 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [1,0,0,0,0,0|2,0,1]=4 2376 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [1,0,0,0,0,0|2,0,1]=4 2377 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [1,0,0,0,0,0|1,0,1]=3 2378 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [1,0,0,0,0,0|1,0,1]=3 2379 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [1,0,0,0,0,0|1,0,1]=3 2380 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [1,0,0,0,0,0|1,0,1]=3 2381 B12R0.5 C=CCCCOCCCCCCCl 34a_100000766143_100000757094 [1,0,0,0,0,0|2,0,1]=4 2382 B12R0.5 C=CCCCOCCCCCCCl 7a_100000766143_100000757094 [1,0,0,0,0,0|2,0,1]=4 2383 B12R0.5 C=CCCCOCCCCCCF 34a_100000732779_100000757094 [1,0,0,0,0,0|2,0,1]=4 2384 B12R0.5 C=CCCCOCCCCCCF 34a_100000758997_100015922095 [1,0,0,0,0,0|2,0,1]=4 2385 B12R0.5 C=CCCCOCCCCCCF 7a_100000732779_100000757094 [1,0,0,0,0,0|2,0,1]=4 2386 B12R0.5 C=CCCCOCCCCCCF 7a_100000758997_100015922095 [1,0,0,0,0,0|2,0,1]=4 2387 B12R0.5 C=CCCCOCCCCCCN 34a_100000686447_100000757094 [1,0,0,0,0,0|2,0,1]=4 2388 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [1,0,0,0,0,0|2,0,1]=4 2389 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [1,0,0,0,0,0|2,0,1]=4 2390 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [1,0,0,0,0,0|2,0,1]=4 2391 B12R0.5 C=CCCCOCCOCCCC 34a_100000210238_100000757094 [1,0,0,0,0,0|2,0,1]=4 2392 B12R0.5 C=CCCCOCCOCCCC 34a_100000758997_100000743108 [1,0,0,0,0,0|2,0,1]=4 2393 B12R0.5 C=CCCCOCCOCCCC 7a_100000210238_100000757094 [1,0,0,0,0,0|2,0,1]=4 2394 B12R0.5 C=CCCCOCCOCCCC 7a_100000758997_100000743108 [1,0,0,0,0,0|2,0,1]=4 2395 B12R0.5 C=CCCCOCCSCCCC 34a_200000230436_100000757094 [1,0,0,0,0,0|2,0,1]=4 2396 B12R0.5 C=CCCCOCCSCCCC 7a_200000230436_100000757094 [1,0,0,0,0,0|2,0,1]=4 2397 B12R0.5 C=CCCCSCCCCCC=O 62a_100000139337_100000757094 [1,0,0,0,0,0|1,0,2]=4 2398 B12R0.5 C=CCCCSCCCCCC=O 62a_100011713584_100000139337 [1,0,0,0,0,0|1,0,2]=4 2399 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [1,0,0,0,0,0|1,0,1]=3 2400 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [1,0,0,0,0,0|1,0,1]=3 2401 B12R0.5 C=CCCCSCCCCCCF 62a_100011713584_100015922095 [1,0,0,0,0,0|2,0,1]=4 2402 B12R0.5 C=CCCCSCCCCCCF 62a_100015922095_100000757094 [1,0,0,0,0,0|2,0,1]=4 2403 B12R0.5 C=CCCCSCCCCCCO 62a_100000766143_100000757094 [1,0,0,0,0,0|2,0,1]=4 2404 B12R0.5 C=CCCCSCCCCCCO 62a_100011713584_100000766143 [1,0,0,0,0,0|2,0,1]=4 2405 B12R0.5 C=CCCCSCCOCCCC 62a_100000743108_100000757094 [1,0,0,0,0,0|2,0,1]=4 2406 B12R0.5 C=CCCCSCCOCCCC 62a_100011713584_100000743108 [1,0,0,0,0,0|2,0,1]=4 2407 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [1,0,0,0,0,0|1,0,1]=3 2408 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [1,0,0,0,0,0|1,0,1]=3 2409 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [1,0,0,0,0,0|1,0,1]=3 2410 B12R0.5 C=CCCNCCCCCCCO 2230a_100011996573_100000754431 [1,0,0,0,0,0|2,0,1]=4 2411 B12R0.5 C=CCCNCCCCCCCO 2230a_100015191253_100000760002 [1,0,0,0,0,0|2,0,1]=4 2412 B12R0.5 C=CCCNCCCCCCCO 34a_100011996573_100000754431 [1,0,0,0,0,0|2,0,1]=4 2413 B12R0.5 C=CCCNCCCCCCOC 2230a_100015191253_100011998445 [1,0,0,0,0,0|2,0,1]=4 2414 B12R0.5 C=CCCNCCCOCCCC 2230a_200000211371_100000754431 [1,0,0,0,0,0|2,0,1]=4 2415 B12R0.5 C=CCCNCCCOCCCC 34a_200000211371_100000754431 [1,0,0,0,0,0|2,0,1]=4 2416 B12R0.5 C=CCCOCCCCCCCBr 34a_100000760002_100000754431 [1,0,0,0,0,0|2,0,1]=4 2417 B12R0.5 C=CCCOCCCCCCCBr 7a_100000760002_100000754431 [1,0,0,0,0,0|2,0,1]=4 2418 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [1,0,0,0,0,0|1,0,1]=3 2419 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [1,0,0,0,0,0|1,0,1]=3 2420 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [1,0,0,0,0,0|1,0,1]=3 2421 B12R0.5 C=CCCOCCCCCCCN 34a_100011996573_100000754431 [1,0,0,0,0,0|2,0,1]=4 2422 B12R0.5 C=CCCOCCCCCCCO 34a_100011205117_100000760002 [1,0,0,0,0,0|2,0,1]=4 2423 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [1,0,0,0,0,0|2,0,1]=4 2424 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [1,0,0,0,0,0|2,0,1]=4 2425 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [1,0,0,0,0,0|2,0,1]=4 2426 B12R0.5 C=CCCOCCCOCCCC 34a_200011215613_100000754431 [1,0,0,0,0,0|2,0,1]=4 2427 B12R0.5 C=CCCOCCCOCCCC 7a_200011215613_100000754431 [1,0,0,0,0,0|2,0,1]=4 2428 B12R0.5 C=CCCOCCNCCCCC 34a_100000224656_100000754431 [1,0,0,0,0,0|2,0,1]=4 2429 B12R0.5 C=CCCOCCOCCCCC 34a_100011215259_100000754431 [1,0,0,0,0,0|2,0,1]=4 2430 B12R0.5 C=CCCOCCOCCCCC 7a_100011215259_100000754431 [1,0,0,0,0,0|2,0,1]=4 2431 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [1,0,0,0,0,0|1,0,1]=3 2432 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [1,0,0,0,0,0|1,0,1]=3 2433 B12R0.5 C=CCCSCCCCCCCO 62a_100000754431_100000760002 [1,0,0,0,0,0|2,0,1]=4 2434 B12R0.5 C=CCCSCCCCCCCO 62a_100000760002_100000754431 [1,0,0,0,0,0|2,0,1]=4 2435 B12R0.5 C=CCCSCCCCCCOC 62a_100000754431_100011998445 [1,0,0,0,0,0|2,0,1]=4 2436 B12R0.5 C=CCCSCCCCCCOC 62a_100011998445_100000754431 [1,0,0,0,0,0|2,0,1]=4 2437 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [1,0,0,0,0,0|1,0,1]=3 2438 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [1,0,0,0,0,0|1,0,1]=3 2439 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [1,0,0,0,0,0|1,0,1]=3 2440 B12R0.5 C=CCNCCCCCCCCO 2230a_100020586998_100000033203 [1,0,0,0,0,0|2,0,1]=4 2441 B12R0.5 C=CCNCCCCCCCCO 2230a_102515433106_100000210623 [1,0,0,0,0,0|2,0,1]=4 2442 B12R0.5 C=CCNCCCCCCCCO 34a_102515433106_100015514636 [1,0,0,0,0,0|2,0,1]=4 2443 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [1,0,0,0,0,0|2,0,1]=4 2444 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [1,0,0,0,0,0|2,0,1]=4 2445 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [1,0,0,0,0,0|1,0,1]=3 2446 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [1,0,0,0,0,0|1,0,1]=3 2447 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [1,0,0,0,0,0|1,0,1]=3 2448 B12R0.5 C=CCOCCCCCCCCCl 34a_100000033203_100015514636 [1,0,0,0,0,0|2,0,1]=4 2449 B12R0.5 C=CCOCCCCCCCCCl 7a_100000033203_100015514636 [1,0,0,0,0,0|2,0,1]=4 2450 B12R0.5 C=CCOCCCCCCCCN 34a_102515433106_100015514636 [1,0,0,0,0,0|2,0,1]=4 2451 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [1,0,0,0,0,0|2,0,1]=4 2452 B12R0.5 C=CCOCCCCNCCCC 34a_200011216965_100015514636 [1,0,0,0,0,0|2,0,1]=4 2453 B12R0.5 C=CCOCCCCOCCCC 34a_200000760531_100015514636 [1,0,0,0,0,0|2,0,1]=4 2454 B12R0.5 C=CCOCCCCOCCCC 7a_200000760531_100015514636 [1,0,0,0,0,0|2,0,1]=4 2455 B12R0.5 C=CCOCCOCCCCCC 34a_100000037705_100000210314 [1,0,0,0,0,0|2,0,1]=4 2456 B12R0.5 C=CCOCCOCCCCCC 34a_100000691444_100015514636 [1,0,0,0,0,0|2,0,1]=4 2457 B12R0.5 C=CCOCCOCCCCCC 7a_100000037705_100000210314 [1,0,0,0,0,0|2,0,1]=4 2458 B12R0.5 C=CCOCCOCCCCCC 7a_100000691444_100015514636 [1,0,0,0,0,0|2,0,1]=4 2459 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [1,0,0,0,0,0|1,0,1]=3 2460 B12R0.5 C=CCSCCCCCCCCO 62a_100000033203_100000210623 [1,0,0,0,0,0|2,0,1]=4 2461 B12R0.5 C=CCSCCCCCCCCO 62a_100000210623_100000033203 [1,0,0,0,0,0|2,0,1]=4 2462 B12R0.5 C=COCCCCOCCCCC 34a_100000031558_100000718602 [1,0,0,0,0,0|2,0,1]=4 2463 B12R0.5 C=COCCCCOCCCCC 7a_100000031558_100000210326 [1,0,0,0,0,0|2,0,1]=4 2464 B12R0.5 C=COCCCNCCCCCC 2230a_100000210767_100000210314 [1,0,0,0,0,0|2,0,1]=4 2465 B12R0.5 C=COCCCNCCCCCC 34a_100000210767_100000210314 [1,0,0,0,0,0|2,0,1]=4 2466 B12R0.5 C=COCCNCCCCCCC 2230a_100000229938_100000039644 [1,0,0,0,0,0|2,0,1]=4 2467 B12R0.5 C=COCCOCCCCCCC 34a_100000033082_100000210614 [1,0,0,0,0,0|2,0,1]=4 2468 B12R0.5 C=COCCOCCCCCCC 34a_100000210272_100000039644 [1,0,0,0,0,0|2,0,1]=4 2469 B12R0.5 C=COCCOCCCCCCC 7a_100000210272_100000039644 [1,0,0,0,0,0|2,0,1]=4 2470 B12R0.5 C=COCCSCCCCCCC 62a_100000039644_100000210316 [1,0,0,0,0,0|2,0,1]=4 2471 B12R0.5 C=COCCSCCCCCCC 62a_100000210614_100000039644 [1,0,0,0,0,0|2,0,1]=4 2472 B12R0.5 CC/C=C/CCCOCCCC=O 7a_100016287902_200011292268 [1,0,0,0,0,0|1,0,2]=4 2473 B12R0.5 CC/C=C\CCCCCOCC=O 34a_100016268722_200009817547 [1,0,0,0,0,0|1,0,2]=4 2474 B12R0.5 CC/C=C\CCCCCOCC=O 7a_100016268722_200015260668 [1,0,0,0,0,0|1,0,2]=4 2475 B12R0.5 CC/C=C\CCOCCCCC=O 7a_100016288707_100000139335 [1,0,0,0,0,0|1,0,2]=4 2476 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100000139335_100015370543 [1,0,0,0,0,0|1,0,2]=4 2477 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100015370543_100000139335 [1,0,0,0,0,0|1,0,2]=4 2478 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100000139337_100103147603 [1,0,0,0,0,0|1,0,2]=4 2479 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100103147603_100000139337 [1,0,0,0,0,0|1,0,2]=4 2480 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [1,0,0,0,0,0|2,0,1]=4 2481 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [1,0,0,0,0,0|2,0,1]=4 2482 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [1,0,0,0,0,0|2,0,1]=4 2483 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [1,0,0,0,0,0|2,0,1]=4 2484 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [1,0,0,0,0,0|2,0,1]=4 2485 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [1,0,0,0,0,0|2,0,1]=4 2486 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [1,0,0,0,0,0|2,0,1]=4 2487 B12R0.5 CCC#CCCOCCCCC=O 7a_100000036655_100000139335 [1,0,0,0,0,0|1,0,2]=4 2488 B12R0.5 CCC#CCSCCCCCC=O 62a_100000139337_100009813939 [1,0,0,0,0,0|1,0,2]=4 2489 B12R0.5 CCC#CCSCCCCCC=O 62a_100009813939_100000139337 [1,0,0,0,0,0|1,0,2]=4 2490 B12R0.5 CCC/C=C/COCCCCC=O 7a_100016278788_100000139335 [1,0,0,0,0,0|1,0,2]=4 2491 B12R0.5 CCCC#CCCOCCCC=O 7a_100000042726_200011292268 [1,0,0,0,0,0|1,0,2]=4 2492 B12R0.5 CCCC#CCOCCCCC=O 7a_100000034806_100000139335 [1,0,0,0,0,0|1,0,2]=4 2493 B12R0.5 CCCC/C=C/COCCCC=O 7a_200016272032_200011292268 [1,0,0,0,0,0|1,0,2]=4 2494 B12R0.5 CCCCC#CCCCSCC=O 62a_200000047210_200015260668 [1,0,0,0,0,0|1,0,2]=4 2495 B12R0.5 CCCCC#CCCCSCC=O 62a_200015260668_200000047210 [1,0,0,0,0,0|1,0,2]=4 2496 B12R0.5 CCCCC#CCOCCCC=O 7a_200000034558_200011292268 [1,0,0,0,0,0|1,0,2]=4 2497 B12R0.5 CCCCC/C=C\CCOCC=O 34a_100016277358_200009817547 [1,0,0,0,0,0|1,0,2]=4 2498 B12R0.5 CCCCC/C=C\CCOCC=O 7a_100016277358_200015260668 [1,0,0,0,0,0|1,0,2]=4 2499 B12R0.5 CCCCCC#CCCOCC=O 34a_200000042877_200009817547 [1,0,0,0,0,0|1,0,2]=4 2500 B12R0.5 CCCCCC#CCCOCC=O 7a_200000042877_200015260668 [1,0,0,0,0,0|1,0,2]=4 2501 B12R0.5 CCCCCC/C=C/COCC=O 34a_200016276170_200009817547 [1,0,0,0,0,0|1,0,2]=4 2502 B12R0.5 CCCCCC/C=C/COCC=O 7a_200016276170_200015260668 [1,0,0,0,0,0|1,0,2]=4 2503 B12R0.5 CCCCCCC#CCOCC=O 34a_200000037284_200009817547 [1,0,0,0,0,0|1,0,2]=4 2504 B12R0.5 CCCCCCC#CCOCC=O 7a_200000037284_200015260668 [1,0,0,0,0,0|1,0,2]=4 2505 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [1,0,0,0,0,0|1,0,1]=3 2506 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [1,0,0,0,0,0|1,0,1]=3 2507 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [1,0,0,0,0,0|1,0,1]=3 2508 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [1,0,0,0,0,0|1,0,1]=3 2509 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [1,0,0,0,0,0|1,0,1]=3 2510 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [1,0,0,0,0,0|1,0,1]=3 2511 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [1,0,0,0,0,0|1,0,1]=3 2512 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [1,0,0,0,0,0|1,0,1]=3 2513 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [1,0,0,0,0,0|1,0,1]=3 2514 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [1,0,0,0,0,0|1,0,1]=3 2515 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [1,0,0,0,0,0|1,0,1]=3 2516 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [1,0,0,0,0,0|1,0,1]=3 2517 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [1,0,0,0,0,0|1,0,1]=3 2518 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [1,0,0,0,0,0|1,0,1]=3 2519 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [1,0,0,0,0,0|1,0,1]=3 2520 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [1,0,0,0,0,0|1,0,1]=3 2521 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [1,0,0,0,0,0|1,0,1]=3 2522 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [1,0,0,0,0,0|2,0,0]=3 2523 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [1,0,0,0,0,0|1,0,1]=3 2524 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [1,0,0,0,0,0|1,0,1]=3 2525 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [1,0,0,0,0,0|1,0,1]=3 2526 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [1,0,0,0,0,0|2,0,0]=3 2527 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [1,0,0,0,0,0|2,0,0]=3 2528 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [1,0,0,0,0,0|1,0,1]=3 2529 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [1,0,0,0,0,0|2,0,0]=3 2530 B12R0.5 CCCCCCCCCNCC#N 2230a_100000212291_100011215382 [1,0,0,0,0,0|2,0,1]=4 2531 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [1,0,0,0,0,0|1,0,0]=2 2532 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [1,0,0,0,0,0|1,0,0]=2 2533 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [1,0,0,0,0,0|1,0,1]=3 2534 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [1,0,0,0,0,0|1,0,1]=3 2535 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [1,0,0,0,0,0|2,0,0]=3 2536 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [1,0,0,0,0,0|2,0,0]=3 2537 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [1,0,0,0,0,0|2,0,0]=3 2538 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [1,0,0,0,0,0|1,0,1]=3 2539 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [1,0,0,0,0,0|1,0,1]=3 2540 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [1,0,0,0,0,0|1,0,1]=3 2541 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [1,0,0,0,0,0|1,0,1]=3 2542 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [1,0,0,0,0,0|2,0,1]=4 2543 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [1,0,0,0,0,0|2,0,1]=4 2544 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [1,0,0,0,0,0|2,0,1]=4 2545 B12R0.5 CCCCCCCCCOCC#N 7a_100000210712_100011215382 [1,0,0,0,0,0|2,0,1]=4 2546 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [1,0,0,0,0,0|1,0,0]=2 2547 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [1,0,0,0,0,0|1,0,0]=2 2548 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [1,0,0,0,0,0|2,0,0]=3 2549 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [1,0,0,0,0,0|1,0,1]=3 2550 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [1,0,0,0,0,0|1,0,1]=3 2551 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [1,0,0,0,0,0|1,0,1]=3 2552 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [1,0,0,0,0,0|2,0,0]=3 2553 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [1,0,0,0,0,0|2,0,0]=3 2554 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [1,0,0,0,0,0|2,0,0]=3 2555 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [1,0,0,0,0,0|1,0,1]=3 2556 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [1,0,0,0,0,0|1,0,1]=3 2557 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [1,0,0,0,0,0|2,0,1]=4 2558 B12R0.5 CCCCCCCCCSCC#N 62a_100011215382_100000210670 [1,0,0,0,0,0|2,0,1]=4 2559 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [1,0,0,0,0,0|1,0,0]=2 2560 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [1,0,0,0,0,0|1,0,1]=3 2561 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [1,0,0,0,0,0|2,0,0]=3 2562 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [1,0,0,0,0,0|1,0,1]=3 2563 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [1,0,0,0,0,0|2,0,1]=4 2564 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [1,0,0,0,0,0|2,0,1]=4 2565 B12R0.5 CCCCCCCCNCCC#N 2230a_100000229939_100011215226 [1,0,0,0,0,0|2,0,1]=4 2566 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [1,0,0,0,0,0|1,0,1]=3 2567 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [1,0,0,0,0,0|1,0,1]=3 2568 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [1,0,0,0,0,0|1,0,1]=3 2569 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [1,0,0,0,0,0|1,0,1]=3 2570 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [1,0,0,0,0,0|2,0,0]=3 2571 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [1,0,0,0,0,0|2,0,0]=3 2572 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [1,0,0,0,0,0|2,0,0]=3 2573 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [1,0,0,0,0,0|2,0,0]=3 2574 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [1,0,0,0,0,0|1,0,1]=3 2575 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [1,0,0,0,0,0|1,0,1]=3 2576 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [1,0,0,0,0,0|2,0,1]=4 2577 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [1,0,0,0,0,0|2,0,1]=4 2578 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [1,0,0,0,0,0|2,0,1]=4 2579 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [1,0,0,0,0,0|2,0,1]=4 2580 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [1,0,0,0,0,0|2,0,1]=4 2581 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [1,0,0,0,0,0|2,0,1]=4 2582 B12R0.5 CCCCCCCCOCCC#N 7a_100000210232_100000184422 [1,0,0,0,0,0|2,0,1]=4 2583 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [1,0,0,0,0,0|2,0,0]=3 2584 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [1,0,0,0,0,0|1,0,1]=3 2585 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [1,0,0,0,0,0|1,0,1]=3 2586 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [1,0,0,0,0,0|1,0,1]=3 2587 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [1,0,0,0,0,0|1,0,1]=3 2588 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [1,0,0,0,0,0|2,0,0]=3 2589 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [1,0,0,0,0,0|2,0,0]=3 2590 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [1,0,0,0,0,0|2,0,0]=3 2591 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [1,0,0,0,0,0|2,0,0]=3 2592 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [1,0,0,0,0,0|2,0,0]=3 2593 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [1,0,0,0,0,0|1,0,1]=3 2594 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [1,0,0,0,0,0|1,0,1]=3 2595 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [1,0,0,0,0,0|2,0,1]=4 2596 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [1,0,0,0,0,0|2,0,1]=4 2597 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [1,0,0,0,0,0|2,0,1]=4 2598 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [1,0,0,0,0,0|3,0,0]=4 2599 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [1,0,0,0,0,0|2,0,1]=4 2600 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [1,0,0,0,0,0|2,0,1]=4 2601 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [1,0,0,0,0,0|2,0,1]=4 2602 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [1,0,0,0,0,0|2,0,1]=4 2603 B12R0.5 CCCCCCCCSCCC#N 62a_100000210759_100011215226 [1,0,0,0,0,0|2,0,1]=4 2604 B12R0.5 CCCCCCCCSCCC#N 62a_100011215226_100000210317 [1,0,0,0,0,0|2,0,1]=4 2605 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [1,0,0,0,0,0|1,0,1]=3 2606 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [1,0,0,0,0,0|1,0,1]=3 2607 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [1,0,0,0,0,0|2,0,0]=3 2608 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [1,0,0,0,0,0|2,0,0]=3 2609 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [1,0,0,0,0,0|1,0,1]=3 2610 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [1,0,0,0,0,0|1,0,1]=3 2611 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [1,0,0,0,0,0|2,0,1]=4 2612 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [1,0,0,0,0,0|2,0,1]=4 2613 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [1,0,0,0,0,0|2,0,1]=4 2614 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [1,0,0,0,0,0|2,0,1]=4 2615 B12R0.5 CCCCCCCCSCOCC 62a_100000210759_100000739092 [1,0,0,0,0,0|2,0,1]=4 2616 B12R0.5 CCCCCCCCSCOCC 62a_100000739092_100000210317 [1,0,0,0,0,0|2,0,1]=4 2617 B12R0.5 CCCCCCCNCCCC#N 2230a_100000229938_100000687738 [1,0,0,0,0,0|2,0,1]=4 2618 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [1,0,0,0,0,0|1,0,0]=2 2619 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [1,0,0,0,0,0|1,0,1]=3 2620 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [1,0,0,0,0,0|1,0,1]=3 2621 B12R0.5 CCCCCCCNCCCCF 2230a_100000229938_100000729493 [1,0,0,0,0,0|2,0,0]=3 2622 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [1,0,0,0,0,0|1,0,1]=3 2623 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [1,0,0,0,0,0|1,0,1]=3 2624 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [1,0,0,0,0,0|1,0,1]=3 2625 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [1,0,0,0,0,0|2,0,1]=4 2626 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [1,0,0,0,0,0|2,0,1]=4 2627 B12R0.5 CCCCCCCNCCCSC 2230a_100000749238_100000210681 [1,0,0,0,0,0|2,0,1]=4 2628 B12R0.5 CCCCCCCNCCOCC 2230a_100000229938_100011215890 [1,0,0,0,0,0|2,0,1]=4 2629 B12R0.5 CCCCCCCNCCOCC 2230a_102516460346_100000210681 [1,0,0,0,0,0|2,0,1]=4 2630 B12R0.5 CCCCCCCNCCOCC 34a_102516460346_100000210614 [1,0,0,0,0,0|2,0,1]=4 2631 B12R0.5 CCCCCCCNCCSCC 2230a_100000106463_100000210681 [1,0,0,0,0,0|2,0,1]=4 2632 B12R0.5 CCCCCCCNCCSCC 2230a_100000229938_100000757381 [1,0,0,0,0,0|2,0,1]=4 2633 B12R0.5 CCCCCCCOCCCC#N 7a_100000210272_100000687738 [1,0,0,0,0,0|2,0,1]=4 2634 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [1,0,0,0,0,0|1,0,0]=2 2635 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [1,0,0,0,0,0|2,0,0]=3 2636 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [1,0,0,0,0,0|1,0,1]=3 2637 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [1,0,0,0,0,0|1,0,1]=3 2638 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [1,0,0,0,0,0|1,0,1]=3 2639 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [1,0,0,0,0,0|1,0,1]=3 2640 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [1,0,0,0,0,0|2,0,0]=3 2641 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [1,0,0,0,0,0|2,0,0]=3 2642 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [1,0,0,0,0,0|2,0,0]=3 2643 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [1,0,0,0,0,0|2,0,0]=3 2644 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [1,0,0,0,0,0|2,0,0]=3 2645 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [1,0,0,0,0,0|2,0,0]=3 2646 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [1,0,0,0,0,0|2,0,0]=3 2647 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [1,0,0,0,0,0|2,0,0]=3 2648 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [1,0,0,0,0,0|1,0,1]=3 2649 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [1,0,0,0,0,0|1,0,1]=3 2650 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [1,0,0,0,0,0|2,0,1]=4 2651 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [1,0,0,0,0,0|2,0,1]=4 2652 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [1,0,0,0,0,0|2,0,1]=4 2653 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [1,0,0,0,0,0|2,0,1]=4 2654 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [1,0,0,0,0,0|2,0,1]=4 2655 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [1,0,0,0,0,0|2,0,1]=4 2656 B12R0.5 CCCCCCCOCCOCC 34a_100000210136_100000210614 [1,0,0,0,0,0|2,0,1]=4 2657 B12R0.5 CCCCCCCOCCOCC 34a_100000210272_100000210147 [1,0,0,0,0,0|2,0,1]=4 2658 B12R0.5 CCCCCCCOCCOCC 7a_100000210136_100000210614 [1,0,0,0,0,0|2,0,1]=4 2659 B12R0.5 CCCCCCCOCCOCC 7a_100000210272_100011215890 [1,0,0,0,0,0|2,0,1]=4 2660 B12R0.5 CCCCCCCOCCSCC 34a_100000210272_100000757381 [1,0,0,0,0,0|2,0,1]=4 2661 B12R0.5 CCCCCCCOCCSCC 34a_100000212035_100000210614 [1,0,0,0,0,0|2,0,1]=4 2662 B12R0.5 CCCCCCCOCCSCC 7a_100000210272_100000757381 [1,0,0,0,0,0|2,0,1]=4 2663 B12R0.5 CCCCCCCOCCSCC 7a_100000212035_100000210614 [1,0,0,0,0,0|2,0,1]=4 2664 B12R0.5 CCCCCCCSCCCC#N 62a_100000210614_100000687738 [1,0,0,0,0,0|2,0,1]=4 2665 B12R0.5 CCCCCCCSCCCC#N 62a_100000687738_100000210316 [1,0,0,0,0,0|2,0,1]=4 2666 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [1,0,0,0,0,0|1,0,0]=2 2667 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [1,0,0,0,0,0|1,0,0]=2 2668 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [1,0,0,0,0,0|1,0,1]=3 2669 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [1,0,0,0,0,0|1,0,1]=3 2670 B12R0.5 CCCCCCCSCCCCF 62a_100000210614_100000729493 [1,0,0,0,0,0|2,0,0]=3 2671 B12R0.5 CCCCCCCSCCCCF 62a_100000729493_100000210316 [1,0,0,0,0,0|2,0,0]=3 2672 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [1,0,0,0,0,0|1,0,1]=3 2673 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [1,0,0,0,0,0|1,0,1]=3 2674 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [1,0,0,0,0,0|2,0,1]=4 2675 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [1,0,0,0,0,0|2,0,1]=4 2676 B12R0.5 CCCCCCCSCCOCC 62a_100000210147_100000210316 [1,0,0,0,0,0|2,0,1]=4 2677 B12R0.5 CCCCCCCSCCOCC 62a_100000210614_100011215890 [1,0,0,0,0,0|2,0,1]=4 2678 B12R0.5 CCCCCCCSCCSCC 62a_100000210614_100000757381 [1,0,0,0,0,0|2,0,1]=4 2679 B12R0.5 CCCCCCCSCCSCC 62a_100000757381_100000210316 [1,0,0,0,0,0|2,0,1]=4 2680 B12R0.5 CCCCCCNCCCCC#N 2230a_100000210581_100000211819 [1,0,0,0,0,0|2,0,1]=4 2681 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [1,0,0,0,0,0|1,0,0]=2 2682 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [1,0,0,0,0,0|1,0,1]=3 2683 B12R0.5 CCCCCCNCCCCCF 2230a_100000210581_100000729378 [1,0,0,0,0,0|2,0,0]=3 2684 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [1,0,0,0,0,0|1,0,1]=3 2685 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [1,0,0,0,0,0|1,0,1]=3 2686 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [1,0,0,0,0,0|1,0,1]=3 2687 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [1,0,0,0,0,0|2,0,1]=4 2688 B12R0.5 CCCCCCNCCCOCC 2230a_100000210581_100012232248 [1,0,0,0,0,0|2,0,1]=4 2689 B12R0.5 CCCCCCNCCCOCC 2230a_100000210961_100000210314 [1,0,0,0,0,0|2,0,1]=4 2690 B12R0.5 CCCCCCNCCCOCC 34a_100000210961_100000210314 [1,0,0,0,0,0|2,0,1]=4 2691 B12R0.5 CCCCCCNCCOCCC 2230a_100000210581_100011215938 [1,0,0,0,0,0|2,0,1]=4 2692 B12R0.5 CCCCCCNCCOCCC 2230a_100161115042_100000210314 [1,0,0,0,0,0|2,0,1]=4 2693 B12R0.5 CCCCCCNCCOCCC 34a_100161115042_100000210314 [1,0,0,0,0,0|2,0,1]=4 2694 B12R0.5 CCCCCCNCCOCCO 2230a_100000210581_100011215305 [1,0,0,0,0,0|2,0,1]=4 2695 B12R0.5 CCCCCCNCCOCCO 2230a_100000211614_100000210314 [1,0,0,0,0,0|2,0,1]=4 2696 B12R0.5 CCCCCCNCCOCCO 34a_100000211614_100000210314 [1,0,0,0,0,0|2,0,1]=4 2697 B12R0.5 CCCCCCNCCSCCC 2230a_100020603323_100000210314 [1,0,0,0,0,0|2,0,1]=4 2698 B12R0.5 CCCCCCNCCSCCO 2230a_100011219999_100000210314 [1,0,0,0,0,0|2,0,1]=4 2699 B12R0.5 CCCCCCNCOCCCC 2230a_100000210581_100011995733 [1,0,0,0,0,0|2,0,1]=4 2700 B12R0.5 CCCCCCOCCCCC#N 7a_100000210259_100000211819 [1,0,0,0,0,0|2,0,1]=4 2701 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [1,0,0,0,0,0|1,0,0]=2 2702 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [1,0,0,0,0,0|2,0,0]=3 2703 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [1,0,0,0,0,0|2,0,0]=3 2704 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [1,0,0,0,0,0|1,0,1]=3 2705 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [1,0,0,0,0,0|1,0,1]=3 2706 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [1,0,0,0,0,0|2,0,0]=3 2707 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [1,0,0,0,0,0|2,0,0]=3 2708 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [1,0,0,0,0,0|2,0,0]=3 2709 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [1,0,0,0,0,0|2,0,0]=3 2710 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [1,0,0,0,0,0|2,0,0]=3 2711 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [1,0,0,0,0,0|2,0,0]=3 2712 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [1,0,0,0,0,0|2,0,0]=3 2713 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [1,0,0,0,0,0|1,0,1]=3 2714 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [1,0,0,0,0,0|1,0,1]=3 2715 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [1,0,0,0,0,0|2,0,1]=4 2716 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [1,0,0,0,0,0|2,0,1]=4 2717 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [1,0,0,0,0,0|2,0,1]=4 2718 B12R0.5 CCCCCCOCCCCSC 34a_100011217163_100000210314 [1,0,0,0,0,0|2,0,1]=4 2719 B12R0.5 CCCCCCOCCCCSC 7a_100011217163_100000210314 [1,0,0,0,0,0|2,0,1]=4 2720 B12R0.5 CCCCCCOCCCOCC 34a_100000210259_100012232248 [1,0,0,0,0,0|2,0,1]=4 2721 B12R0.5 CCCCCCOCCCOCC 34a_100000757476_100000210314 [1,0,0,0,0,0|2,0,1]=4 2722 B12R0.5 CCCCCCOCCCOCC 7a_100000210259_100012232248 [1,0,0,0,0,0|2,0,1]=4 2723 B12R0.5 CCCCCCOCCCOCC 7a_100000757476_100000210314 [1,0,0,0,0,0|2,0,1]=4 2724 B12R0.5 CCCCCCOCCCSCC 34a_100011216438_100000210314 [1,0,0,0,0,0|2,0,1]=4 2725 B12R0.5 CCCCCCOCCCSCC 7a_100011216438_100000210314 [1,0,0,0,0,0|2,0,1]=4 2726 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [1,0,0,0,0,0|2,0,0]=3 2727 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [1,0,0,0,0,0|2,0,0]=3 2728 B12R0.5 CCCCCCOCCOCCBr 34a_100000692535_100000210314 [1,0,0,0,0,0|3,0,0]=4 2729 B12R0.5 CCCCCCOCCOCCBr 7a_100000692535_100000210314 [1,0,0,0,0,0|3,0,0]=4 2730 B12R0.5 CCCCCCOCCOCCC 34a_100000210259_100011215938 [1,0,0,0,0,0|2,0,1]=4 2731 B12R0.5 CCCCCCOCCOCCC 34a_100000691444_100000210303 [1,0,0,0,0,0|2,0,1]=4 2732 B12R0.5 CCCCCCOCCOCCC 34a_100000752267_100000210314 [1,0,0,0,0,0|2,0,1]=4 2733 B12R0.5 CCCCCCOCCOCCC 7a_100000210259_100011215938 [1,0,0,0,0,0|2,0,1]=4 2734 B12R0.5 CCCCCCOCCOCCC 7a_100000691444_100000210303 [1,0,0,0,0,0|2,0,1]=4 2735 B12R0.5 CCCCCCOCCOCCC 7a_100000752267_100000210314 [1,0,0,0,0,0|2,0,1]=4 2736 B12R0.5 CCCCCCOCCOCCCl 34a_100011215305_100000210314 [1,0,0,0,0,0|3,0,0]=4 2737 B12R0.5 CCCCCCOCCOCCCl 7a_100011215305_100000210314 [1,0,0,0,0,0|3,0,0]=4 2738 B12R0.5 CCCCCCOCCOCCF 34a_100000691444_100011217306 [1,0,0,0,0,0|3,0,0]=4 2739 B12R0.5 CCCCCCOCCOCCF 34a_200015357709_100000210314 [1,0,0,0,0,0|3,0,0]=4 2740 B12R0.5 CCCCCCOCCOCCF 7a_100000691444_100011217306 [1,0,0,0,0,0|3,0,0]=4 2741 B12R0.5 CCCCCCOCCOCCF 7a_200015357709_100000210314 [1,0,0,0,0,0|3,0,0]=4 2742 B12R0.5 CCCCCCOCCOCCI 34a_100012149058_100000210314 [1,0,0,0,0,0|3,0,0]=4 2743 B12R0.5 CCCCCCOCCOCCI 7a_100012149058_100000210314 [1,0,0,0,0,0|3,0,0]=4 2744 B12R0.5 CCCCCCOCCOCCN 34a_100000211614_100000210314 [1,0,0,0,0,0|3,0,0]=4 2745 B12R0.5 CCCCCCOCCOCCO 34a_100000210259_100000692535 [1,0,0,0,0,0|2,0,1]=4 2746 B12R0.5 CCCCCCOCCOCCO 34a_100000691444_100000211926 [1,0,0,0,0,0|2,0,1]=4 2747 B12R0.5 CCCCCCOCCOCCO 7a_100000210259_100011215305 [1,0,0,0,0,0|2,0,1]=4 2748 B12R0.5 CCCCCCOCCOCCO 7a_100000691444_100000211926 [1,0,0,0,0,0|2,0,1]=4 2749 B12R0.5 CCCCCCOCCSCCC 34a_200000230433_100000210314 [1,0,0,0,0,0|2,0,1]=4 2750 B12R0.5 CCCCCCOCCSCCC 7a_200000230433_100000210314 [1,0,0,0,0,0|2,0,1]=4 2751 B12R0.5 CCCCCCOCOCCCC 34a_100000210259_100011995733 [1,0,0,0,0,0|2,0,1]=4 2752 B12R0.5 CCCCCCSCCCCC#N 62a_100000210314_100000211819 [1,0,0,0,0,0|2,0,1]=4 2753 B12R0.5 CCCCCCSCCCCC#N 62a_100011219923_100000210757 [1,0,0,0,0,0|2,0,1]=4 2754 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [1,0,0,0,0,0|1,0,0]=2 2755 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [1,0,0,0,0,0|1,0,0]=2 2756 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [1,0,0,0,0,0|1,0,1]=3 2757 B12R0.5 CCCCCCSCCCCCF 62a_100000210314_100000729378 [1,0,0,0,0,0|2,0,0]=3 2758 B12R0.5 CCCCCCSCCCCCF 62a_100000729378_100000210757 [1,0,0,0,0,0|2,0,0]=3 2759 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [1,0,0,0,0,0|1,0,1]=3 2760 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [1,0,0,0,0,0|1,0,1]=3 2761 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [1,0,0,0,0,0|2,0,1]=4 2762 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [1,0,0,0,0,0|2,0,1]=4 2763 B12R0.5 CCCCCCSCCCOCC 62a_100000210314_100012232248 [1,0,0,0,0,0|2,0,1]=4 2764 B12R0.5 CCCCCCSCCCOCC 62a_100012232248_100000210757 [1,0,0,0,0,0|2,0,1]=4 2765 B12R0.5 CCCCCCSCCOCCC 62a_100000210314_100011215938 [1,0,0,0,0,0|2,0,1]=4 2766 B12R0.5 CCCCCCSCCOCCC 62a_100011215938_100000210757 [1,0,0,0,0,0|2,0,1]=4 2767 B12R0.5 CCCCCCSCCOCCO 62a_100000210314_100011215305 [1,0,0,0,0,0|2,0,1]=4 2768 B12R0.5 CCCCCCSCCOCCO 62a_100011215305_100000210757 [1,0,0,0,0,0|2,0,1]=4 2769 B12R0.5 CCCCCCSCOCCCC 62a_100000210314_100011995733 [1,0,0,0,0,0|2,0,1]=4 2770 B12R0.5 CCCCCCSCOCCCC 62a_100011995733_100000210757 [1,0,0,0,0,0|2,0,1]=4 2771 B12R0.5 CCCCCNCCCCCC#N 2230a_100000209983_100009813376 [1,0,0,0,0,0|2,0,1]=4 2772 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [1,0,0,0,0,0|1,0,0]=2 2773 B12R0.5 CCCCCNCCCCCCF 2230a_100000209983_100015922095 [1,0,0,0,0,0|2,0,0]=3 2774 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [1,0,0,0,0,0|1,0,1]=3 2775 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [1,0,0,0,0,0|1,0,1]=3 2776 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [1,0,0,0,0,0|1,0,1]=3 2777 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [1,0,0,0,0,0|2,0,1]=4 2778 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [1,0,0,0,0,0|2,0,1]=4 2779 B12R0.5 CCCCCNCCCOCCC 2230a_100011217757_100000210326 [1,0,0,0,0,0|2,0,1]=4 2780 B12R0.5 CCCCCNCCCOCCC 34a_100011217757_100000718602 [1,0,0,0,0,0|2,0,1]=4 2781 B12R0.5 CCCCCNCCOCCCC 2230a_100000209983_100000743108 [1,0,0,0,0,0|2,0,1]=4 2782 B12R0.5 CCCCCNCCOCCCC 34a_100000224656_100000210210 [1,0,0,0,0,0|2,0,1]=4 2783 B12R0.5 CCCCCNCCOCCCF 34a_100000224656_100011934791 [1,0,0,0,0,0|3,0,0]=4 2784 B12R0.5 CCCCCNCCOCCCO 34a_100000224656_100000230001 [1,0,0,0,0,0|2,0,1]=4 2785 B12R0.5 CCCCCNCCSCCCC 2230a_100025743550_100000210326 [1,0,0,0,0,0|2,0,1]=4 2786 B12R0.5 CCCCCOCCCCCC#N 7a_100000210253_100009813376 [1,0,0,0,0,0|2,0,1]=4 2787 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [1,0,0,0,0,0|1,0,0]=2 2788 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [1,0,0,0,0,0|2,0,0]=3 2789 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [1,0,0,0,0,0|2,0,0]=3 2790 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [1,0,0,0,0,0|2,0,0]=3 2791 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [1,0,0,0,0,0|2,0,0]=3 2792 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [1,0,0,0,0,0|2,0,0]=3 2793 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [1,0,0,0,0,0|2,0,0]=3 2794 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [1,0,0,0,0,0|2,0,0]=3 2795 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [1,0,0,0,0,0|2,0,0]=3 2796 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [1,0,0,0,0,0|2,0,0]=3 2797 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [1,0,0,0,0,0|1,0,1]=3 2798 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [1,0,0,0,0,0|1,0,1]=3 2799 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [1,0,0,0,0,0|2,0,1]=4 2800 B12R0.5 CCCCCOCCOCCCC 34a_100000210238_100000718602 [1,0,0,0,0,0|2,0,1]=4 2801 B12R0.5 CCCCCOCCOCCCC 34a_100000210253_100000743108 [1,0,0,0,0,0|2,0,1]=4 2802 B12R0.5 CCCCCOCCOCCCC 34a_100011215259_100000210210 [1,0,0,0,0,0|2,0,1]=4 2803 B12R0.5 CCCCCOCCOCCCC 7a_100000210238_100000210326 [1,0,0,0,0,0|2,0,1]=4 2804 B12R0.5 CCCCCOCCOCCCC 7a_100000210253_100000743108 [1,0,0,0,0,0|2,0,1]=4 2805 B12R0.5 CCCCCOCCOCCCC 7a_100011215259_100000210211 [1,0,0,0,0,0|2,0,1]=4 2806 B12R0.5 CCCCCOCCOCCCF 34a_100011215259_100011934791 [1,0,0,0,0,0|3,0,0]=4 2807 B12R0.5 CCCCCOCCOCCCF 7a_100011215259_100011934791 [1,0,0,0,0,0|3,0,0]=4 2808 B12R0.5 CCCCCOCCOCCCO 34a_100011215259_100000230001 [1,0,0,0,0,0|2,0,1]=4 2809 B12R0.5 CCCCCOCCOCCCO 7a_100011215259_100011215043 [1,0,0,0,0,0|2,0,1]=4 2810 B12R0.5 CCCCCOCCSCCCC 34a_200000230436_100000718602 [1,0,0,0,0,0|2,0,1]=4 2811 B12R0.5 CCCCCOCCSCCCC 7a_200000230436_100000210326 [1,0,0,0,0,0|2,0,1]=4 2812 B12R0.5 CCCCCSCCCCCC#N 62a_100000210326_100009813376 [1,0,0,0,0,0|2,0,1]=4 2813 B12R0.5 CCCCCSCCCCCC#N 62a_100009813376_100000210326 [1,0,0,0,0,0|2,0,1]=4 2814 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [1,0,0,0,0,0|1,0,0]=2 2815 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [1,0,0,0,0,0|1,0,0]=2 2816 B12R0.5 CCCCCSCCCCCCF 62a_100000210326_100015922095 [1,0,0,0,0,0|2,0,0]=3 2817 B12R0.5 CCCCCSCCCCCCF 62a_100015922095_100000210326 [1,0,0,0,0,0|2,0,0]=3 2818 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [1,0,0,0,0,0|1,0,1]=3 2819 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [1,0,0,0,0,0|1,0,1]=3 2820 B12R0.5 CCCCCSCCOCCCC 62a_100000210326_100000743108 [1,0,0,0,0,0|2,0,1]=4 2821 B12R0.5 CCCCCSCCOCCCC 62a_100000743108_100000210326 [1,0,0,0,0,0|2,0,1]=4 2822 B12R0.5 CCCCNCCCCCCC#N 2230a_100000102301_100009813337 [1,0,0,0,0,0|2,0,1]=4 2823 B12R0.5 CCCCNCCCCCCC#N 7a_106832991798_100009813337 [1,0,0,0,0,0|2,0,1]=4 2824 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [1,0,0,0,0,0|1,0,1]=3 2825 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [1,0,0,0,0,0|1,0,1]=3 2826 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [1,0,0,0,0,0|1,0,1]=3 2827 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [1,0,0,0,0,0|1,0,1]=3 2828 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [1,0,0,0,0,0|2,0,1]=4 2829 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [1,0,0,0,0,0|2,0,1]=4 2830 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [1,0,0,0,0,0|2,0,0]=3 2831 B12R0.5 CCCCNCCCCOCCC 34a_200011216965_100000210303 [1,0,0,0,0,0|2,0,1]=4 2832 B12R0.5 CCCCNCCCCOCCF 34a_200011216965_100011217306 [1,0,0,0,0,0|3,0,0]=4 2833 B12R0.5 CCCCNCCCCOCCO 34a_200011216965_100000211926 [1,0,0,0,0,0|2,0,1]=4 2834 B12R0.5 CCCCNCCCOCCCC 2230a_200000211371_100000210211 [1,0,0,0,0,0|2,0,1]=4 2835 B12R0.5 CCCCNCCCOCCCC 34a_200000211371_100000210210 [1,0,0,0,0,0|2,0,1]=4 2836 B12R0.5 CCCCNCCCOCCCO 2230a_100011310245_100000210211 [1,0,0,0,0,0|2,0,1]=4 2837 B12R0.5 CCCCNCCCOCCCO 34a_100011310245_100000210210 [1,0,0,0,0,0|2,0,1]=4 2838 B12R0.5 CCCCOCCCCCCC#N 7a_100000210227_100009813337 [1,0,0,0,0,0|2,0,1]=4 2839 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [1,0,0,0,0,0|2,0,0]=3 2840 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [1,0,0,0,0,0|2,0,0]=3 2841 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [1,0,0,0,0,0|2,0,0]=3 2842 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [1,0,0,0,0,0|1,0,1]=3 2843 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [1,0,0,0,0,0|1,0,1]=3 2844 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [1,0,0,0,0,0|2,0,1]=4 2845 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [1,0,0,0,0,0|2,0,1]=4 2846 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [1,0,0,0,0,0|2,0,1]=4 2847 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [1,0,0,0,0,0|2,0,1]=4 2848 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [1,0,0,0,0,0|2,0,0]=3 2849 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [1,0,0,0,0,0|2,0,0]=3 2850 B12R0.5 CCCCOCCCCOCCC 34a_200000760531_100000210303 [1,0,0,0,0,0|2,0,1]=4 2851 B12R0.5 CCCCOCCCCOCCC 7a_200000760531_100000210303 [1,0,0,0,0,0|2,0,1]=4 2852 B12R0.5 CCCCOCCCCOCCF 34a_200000760531_100011217306 [1,0,0,0,0,0|3,0,0]=4 2853 B12R0.5 CCCCOCCCCOCCF 7a_200000760531_100011217306 [1,0,0,0,0,0|3,0,0]=4 2854 B12R0.5 CCCCOCCCCOCCO 34a_200000760531_100000211926 [1,0,0,0,0,0|2,0,1]=4 2855 B12R0.5 CCCCOCCCCOCCO 7a_200000760531_100000211926 [1,0,0,0,0,0|2,0,1]=4 2856 B12R0.5 CCCCOCCCNCCCF 2230a_200000211371_100011934791 [1,0,0,0,0,0|3,0,0]=4 2857 B12R0.5 CCCCOCCCNCCCF 34a_200000211371_100011934791 [1,0,0,0,0,0|3,0,0]=4 2858 B12R0.5 CCCCOCCCNCCCO 2230a_200000211371_100000230001 [1,0,0,0,0,0|2,0,1]=4 2859 B12R0.5 CCCCOCCCNCCCO 34a_200000211371_100000230001 [1,0,0,0,0,0|2,0,1]=4 2860 B12R0.5 CCCCOCCCOCCCC 34a_200011215613_100000210210 [1,0,0,0,0,0|2,0,1]=4 2861 B12R0.5 CCCCOCCCOCCCC 7a_200011215613_100000210211 [1,0,0,0,0,0|2,0,1]=4 2862 B12R0.5 CCCCOCCCOCCCF 34a_200011215613_100011934791 [1,0,0,0,0,0|3,0,0]=4 2863 B12R0.5 CCCCOCCCOCCCF 7a_200011215613_100011934791 [1,0,0,0,0,0|3,0,0]=4 2864 B12R0.5 CCCCOCCCOCCCN 34a_100011310245_100000210210 [1,0,0,0,0,0|3,0,0]=4 2865 B12R0.5 CCCCOCCCOCCCO 34a_200011215613_100000230001 [1,0,0,0,0,0|2,0,1]=4 2866 B12R0.5 CCCCOCCCOCCCO 7a_200011215613_100011215043 [1,0,0,0,0,0|2,0,1]=4 2867 B12R0.5 CCCCOCCNCCCCO 2230a_100000750430_100000743108 [1,0,0,0,0,0|2,0,1]=4 2868 B12R0.5 CCCCOCCNCCCCO 34a_100000750430_100000743108 [1,0,0,0,0,0|2,0,1]=4 2869 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [1,0,0,0,0,0|2,0,0]=3 2870 B12R0.5 CCCCOCCOCCCCBr 34a_100011216708_100000743108 [1,0,0,0,0,0|3,0,0]=4 2871 B12R0.5 CCCCOCCOCCCCCl 34a_100000210776_100000743108 [1,0,0,0,0,0|3,0,0]=4 2872 B12R0.5 CCCCOCCOCCCCCl 7a_100000210776_100000743108 [1,0,0,0,0,0|3,0,0]=4 2873 B12R0.5 CCCCOCCOCCCCF 34a_100000210238_100000729493 [1,0,0,0,0,0|3,0,0]=4 2874 B12R0.5 CCCCOCCOCCCCF 34a_100011995726_100000743108 [1,0,0,0,0,0|3,0,0]=4 2875 B12R0.5 CCCCOCCOCCCCF 7a_100000210238_100000729493 [1,0,0,0,0,0|3,0,0]=4 2876 B12R0.5 CCCCOCCOCCCCF 7a_100011995726_100000743108 [1,0,0,0,0,0|3,0,0]=4 2877 B12R0.5 CCCCOCCOCCCCI 34a_200012148704_100000743108 [1,0,0,0,0,0|3,0,0]=4 2878 B12R0.5 CCCCOCCOCCCCN 34a_100000750430_100000743108 [1,0,0,0,0,0|3,0,0]=4 2879 B12R0.5 CCCCOCCOCCCCO 34a_100000210238_100011216708 [1,0,0,0,0,0|2,0,1]=4 2880 B12R0.5 CCCCOCCOCCCCO 7a_100000210238_100000210776 [1,0,0,0,0,0|2,0,1]=4 2881 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [1,0,0,0,0,0|2,0,0]=3 2882 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [1,0,0,0,0,0|2,0,0]=3 2883 B12R0.5 CCCCOCCSCCCCF 62a_100000729493_100000743108 [1,0,0,0,0,0|3,0,0]=4 2884 B12R0.5 CCCCOCCSCCCCF 62a_100000743108_100000729493 [1,0,0,0,0,0|3,0,0]=4 2885 B12R0.5 CCCCOCCSCCCCO 62a_100000210776_100000743108 [1,0,0,0,0,0|2,0,1]=4 2886 B12R0.5 CCCCOCCSCCCCO 62a_100000743108_100000210776 [1,0,0,0,0,0|2,0,1]=4 2887 B12R0.5 CCCCOCNCCCCCO 2230a_100000762737_100011995733 [1,0,0,0,0,0|2,0,1]=4 2888 B12R0.5 CCCCOCNCCCCCO 34a_100000762737_100011995733 [1,0,0,0,0,0|2,0,1]=4 2889 B12R0.5 CCCCOCOCCCCCBr 34a_100000746331_100011995733 [1,0,0,0,0,0|3,0,0]=4 2890 B12R0.5 CCCCOCOCCCCCCl 34a_100000746330_100011995733 [1,0,0,0,0,0|3,0,0]=4 2891 B12R0.5 CCCCOCOCCCCCI 34a_200012148887_100011995733 [1,0,0,0,0,0|3,0,0]=4 2892 B12R0.5 CCCCOCOCCCCCN 34a_100000762737_100011995733 [1,0,0,0,0,0|3,0,0]=4 2893 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [1,0,0,0,0,0|2,0,0]=3 2894 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [1,0,0,0,0,0|2,0,0]=3 2895 B12R0.5 CCCCOCSCCCCCF 62a_100000729378_100011995733 [1,0,0,0,0,0|3,0,0]=4 2896 B12R0.5 CCCCOCSCCCCCF 62a_100011995733_100000729378 [1,0,0,0,0,0|3,0,0]=4 2897 B12R0.5 CCCCOCSCCCCCO 62a_100000746330_100011995733 [1,0,0,0,0,0|2,0,1]=4 2898 B12R0.5 CCCCOCSCCCCCO 62a_100011995733_100000746330 [1,0,0,0,0,0|2,0,1]=4 2899 B12R0.5 CCCCSCCCCCCC#N 62a_100000210211_100009813337 [1,0,0,0,0,0|2,0,1]=4 2900 B12R0.5 CCCCSCCCCCCC#N 62a_100009813337_100000210210 [1,0,0,0,0,0|2,0,1]=4 2901 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [1,0,0,0,0,0|1,0,1]=3 2902 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [1,0,0,0,0,0|1,0,1]=3 2903 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [1,0,0,0,0,0|2,0,1]=4 2904 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [1,0,0,0,0,0|2,0,1]=4 2905 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [1,0,0,0,0,0|2,0,0]=3 2906 B12R0.5 CCCCSCCNCCCCF 2230a_100025743550_100000729493 [1,0,0,0,0,0|3,0,0]=4 2907 B12R0.5 CCCCSCCNCCCCO 2230a_100025743550_100000210776 [1,0,0,0,0,0|2,0,1]=4 2908 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [1,0,0,0,0,0|2,0,0]=3 2909 B12R0.5 CCCCSCCOCCCCF 34a_200000230436_100000729493 [1,0,0,0,0,0|3,0,0]=4 2910 B12R0.5 CCCCSCCOCCCCF 7a_200000230436_100000729493 [1,0,0,0,0,0|3,0,0]=4 2911 B12R0.5 CCCCSCCOCCCCO 34a_200000230436_100011216708 [1,0,0,0,0,0|2,0,1]=4 2912 B12R0.5 CCCCSCCOCCCCO 7a_200000230436_100000210776 [1,0,0,0,0,0|2,0,1]=4 2913 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [1,0,0,0,0,0|1,0,1]=3 2914 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [1,0,0,0,0,0|1,0,1]=3 2915 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [1,0,0,0,0,0|2,0,0]=3 2916 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [1,0,0,0,0,0|2,0,0]=3 2917 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [1,0,0,0,0,0|2,0,0]=3 2918 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [1,0,0,0,0,0|2,0,0]=3 2919 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [1,0,0,0,0,0|2,0,0]=3 2920 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [1,0,0,0,0,0|1,0,1]=3 2921 B12R0.5 CCCOCCCCCNCCN 34a_103619048469_100000210303 [1,0,0,0,0,0|3,0,0]=4 2922 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [1,0,0,0,0,0|2,0,0]=3 2923 B12R0.5 CCCOCCCNCCCCF 2230a_100011217757_100000729493 [1,0,0,0,0,0|3,0,0]=4 2924 B12R0.5 CCCOCCCNCCCCF 34a_100011217757_100000729493 [1,0,0,0,0,0|3,0,0]=4 2925 B12R0.5 CCCOCCCNCCCCO 2230a_100011217757_100000210776 [1,0,0,0,0,0|2,0,1]=4 2926 B12R0.5 CCCOCCCNCCCCO 34a_100011217757_100011216708 [1,0,0,0,0,0|2,0,1]=4 2927 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [1,0,0,0,0,0|2,0,0]=3 2928 B12R0.5 CCCOCCNCCCCCF 2230a_100161115042_100000729378 [1,0,0,0,0,0|3,0,0]=4 2929 B12R0.5 CCCOCCNCCCCCF 34a_100161115042_100000729378 [1,0,0,0,0,0|3,0,0]=4 2930 B12R0.5 CCCOCCNCCCCCO 2230a_100000762737_100011215938 [1,0,0,0,0,0|2,0,1]=4 2931 B12R0.5 CCCOCCNCCCCCO 2230a_100161115042_100000746330 [1,0,0,0,0,0|2,0,1]=4 2932 B12R0.5 CCCOCCNCCCCCO 34a_100000762737_100011215938 [1,0,0,0,0,0|2,0,1]=4 2933 B12R0.5 CCCOCCNCCCCCO 34a_100161115042_100000746330 [1,0,0,0,0,0|2,0,1]=4 2934 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [1,0,0,0,0,0|2,0,0]=3 2935 B12R0.5 CCCOCCOCCCCCBr 34a_100000746331_100011215938 [1,0,0,0,0,0|3,0,0]=4 2936 B12R0.5 CCCOCCOCCCCCBr 7a_100000746331_100011215938 [1,0,0,0,0,0|3,0,0]=4 2937 B12R0.5 CCCOCCOCCCCCCl 34a_100000746330_100011215938 [1,0,0,0,0,0|3,0,0]=4 2938 B12R0.5 CCCOCCOCCCCCCl 7a_100000746330_100011215938 [1,0,0,0,0,0|3,0,0]=4 2939 B12R0.5 CCCOCCOCCCCCF 34a_100000752267_100000729378 [1,0,0,0,0,0|3,0,0]=4 2940 B12R0.5 CCCOCCOCCCCCF 7a_100000752267_100000729378 [1,0,0,0,0,0|3,0,0]=4 2941 B12R0.5 CCCOCCOCCCCCI 34a_200012148887_100011215938 [1,0,0,0,0,0|3,0,0]=4 2942 B12R0.5 CCCOCCOCCCCCI 7a_200012148887_100011215938 [1,0,0,0,0,0|3,0,0]=4 2943 B12R0.5 CCCOCCOCCCCCN 34a_100000762737_100011215938 [1,0,0,0,0,0|3,0,0]=4 2944 B12R0.5 CCCOCCOCCCCCO 34a_100000752267_100000746330 [1,0,0,0,0,0|2,0,1]=4 2945 B12R0.5 CCCOCCOCCCCCO 7a_100000752267_100000746330 [1,0,0,0,0,0|2,0,1]=4 2946 B12R0.5 CCCOCCOCCNCC=O 2230a_200011904461_200015260668 [1,0,0,0,0,0|3,0,0]=4 2947 B12R0.5 CCCOCCOCCNCC=O 34a_200011904461_200009817547 [1,0,0,0,0,0|3,0,0]=4 2948 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [1,0,0,0,0,0|2,0,0]=3 2949 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [1,0,0,0,0,0|2,0,0]=3 2950 B12R0.5 CCCOCCSCCCCCF 62a_100000729378_100011215938 [1,0,0,0,0,0|3,0,0]=4 2951 B12R0.5 CCCOCCSCCCCCF 62a_100011215938_100000729378 [1,0,0,0,0,0|3,0,0]=4 2952 B12R0.5 CCCOCCSCCCCCO 62a_100000746330_100011215938 [1,0,0,0,0,0|2,0,1]=4 2953 B12R0.5 CCCOCCSCCCCCO 62a_100011215938_100000746330 [1,0,0,0,0,0|2,0,1]=4 2954 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [1,0,0,0,0,0|1,0,1]=3 2955 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [1,0,0,0,0,0|1,0,1]=3 2956 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [1,0,0,0,0,0|2,0,0]=3 2957 B12R0.5 CCCSCCNCCCCCF 2230a_100020603323_100000729378 [1,0,0,0,0,0|3,0,0]=4 2958 B12R0.5 CCCSCCNCCCCCO 2230a_100020603323_100000746330 [1,0,0,0,0,0|2,0,1]=4 2959 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [1,0,0,0,0,0|2,0,0]=3 2960 B12R0.5 CCCSCCOCCCCCF 34a_200000230433_100000729378 [1,0,0,0,0,0|3,0,0]=4 2961 B12R0.5 CCCSCCOCCCCCF 7a_200000230433_100000729378 [1,0,0,0,0,0|3,0,0]=4 2962 B12R0.5 CCCSCCOCCCCCO 34a_200000230433_100000746330 [1,0,0,0,0,0|2,0,1]=4 2963 B12R0.5 CCCSCCOCCCCCO 7a_200000230433_100000746330 [1,0,0,0,0,0|2,0,1]=4 2964 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [1,0,0,0,0,0|1,0,1]=3 2965 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [1,0,0,0,0,0|1,0,1]=3 2966 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [1,0,0,0,0,0|1,0,1]=3 2967 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [1,0,0,0,0,0|2,0,0]=3 2968 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [1,0,0,0,0,0|2,0,0]=3 2969 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [1,0,0,0,0,0|2,0,0]=3 2970 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [1,0,0,0,0,0|2,0,0]=3 2971 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [1,0,0,0,0,0|2,0,0]=3 2972 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [1,0,0,0,0,0|1,0,1]=3 2973 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [1,0,0,0,0,0|2,0,0]=3 2974 B12R0.5 CCOCCCNCCCCCF 2230a_100000210961_100000729378 [1,0,0,0,0,0|3,0,0]=4 2975 B12R0.5 CCOCCCNCCCCCF 34a_100000210961_100000729378 [1,0,0,0,0,0|3,0,0]=4 2976 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [1,0,0,0,0,0|2,0,1]=4 2977 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [1,0,0,0,0,0|2,0,1]=4 2978 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [1,0,0,0,0,0|2,0,1]=4 2979 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [1,0,0,0,0,0|2,0,1]=4 2980 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [1,0,0,0,0,0|2,0,0]=3 2981 B12R0.5 CCOCCCOCCCCCBr 34a_100000746331_100012232248 [1,0,0,0,0,0|3,0,0]=4 2982 B12R0.5 CCOCCCOCCCCCBr 7a_100000746331_100012232248 [1,0,0,0,0,0|3,0,0]=4 2983 B12R0.5 CCOCCCOCCCCCCl 34a_100000746330_100012232248 [1,0,0,0,0,0|3,0,0]=4 2984 B12R0.5 CCOCCCOCCCCCCl 7a_100000746330_100012232248 [1,0,0,0,0,0|3,0,0]=4 2985 B12R0.5 CCOCCCOCCCCCF 34a_100000757476_100000729378 [1,0,0,0,0,0|3,0,0]=4 2986 B12R0.5 CCOCCCOCCCCCF 7a_100000757476_100000729378 [1,0,0,0,0,0|3,0,0]=4 2987 B12R0.5 CCOCCCOCCCCCI 34a_200012148887_100012232248 [1,0,0,0,0,0|3,0,0]=4 2988 B12R0.5 CCOCCCOCCCCCI 7a_200012148887_100012232248 [1,0,0,0,0,0|3,0,0]=4 2989 B12R0.5 CCOCCCOCCCCCN 34a_100000762737_100012232248 [1,0,0,0,0,0|3,0,0]=4 2990 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [1,0,0,0,0,0|2,0,1]=4 2991 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [1,0,0,0,0,0|2,0,1]=4 2992 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [1,0,0,0,0,0|2,0,0]=3 2993 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [1,0,0,0,0,0|2,0,0]=3 2994 B12R0.5 CCOCCCSCCCCCF 62a_100000729378_100012232248 [1,0,0,0,0,0|3,0,0]=4 2995 B12R0.5 CCOCCCSCCCCCF 62a_100012232248_100000729378 [1,0,0,0,0,0|3,0,0]=4 2996 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [1,0,0,0,0,0|2,0,1]=4 2997 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [1,0,0,0,0,0|2,0,1]=4 2998 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [1,0,0,0,0,0|2,0,0]=3 2999 B12R0.5 CCOCCNCCCCCCF 2230a_102516460346_100015922095 [1,0,0,0,0,0|3,0,0]=4 3000 B12R0.5 CCOCCNCCCCCCF 34a_102516460346_100015922095 [1,0,0,0,0,0|3,0,0]=4 3001 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [1,0,0,0,0,0|2,0,1]=4 3002 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [1,0,0,0,0,0|2,0,1]=4 3003 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [1,0,0,0,0,0|2,0,1]=4 3004 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [1,0,0,0,0,0|2,0,1]=4 3005 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [1,0,0,0,0,0|2,0,0]=3 3006 B12R0.5 CCOCCOCCCCCCBr 34a_100011215345_100000210147 [1,0,0,0,0,0|3,0,0]=4 3007 B12R0.5 CCOCCOCCCCCCBr 7a_100011215345_100011215890 [1,0,0,0,0,0|3,0,0]=4 3008 B12R0.5 CCOCCOCCCCCCCl 34a_100000766143_100000210147 [1,0,0,0,0,0|3,0,0]=4 3009 B12R0.5 CCOCCOCCCCCCCl 7a_100000766143_100011215890 [1,0,0,0,0,0|3,0,0]=4 3010 B12R0.5 CCOCCOCCCCCCF 34a_100000210136_100015922095 [1,0,0,0,0,0|3,0,0]=4 3011 B12R0.5 CCOCCOCCCCCCF 34a_100000732779_100000210147 [1,0,0,0,0,0|3,0,0]=4 3012 B12R0.5 CCOCCOCCCCCCF 7a_100000210136_100015922095 [1,0,0,0,0,0|3,0,0]=4 3013 B12R0.5 CCOCCOCCCCCCF 7a_100000732779_100011215890 [1,0,0,0,0,0|3,0,0]=4 3014 B12R0.5 CCOCCOCCCCCCN 34a_100000686447_100000210147 [1,0,0,0,0,0|3,0,0]=4 3015 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [1,0,0,0,0,0|2,0,1]=4 3016 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [1,0,0,0,0,0|2,0,1]=4 3017 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [1,0,0,0,0,0|2,0,0]=3 3018 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [1,0,0,0,0,0|2,0,0]=3 3019 B12R0.5 CCOCCSCCCCCCF 62a_100000210147_100015922095 [1,0,0,0,0,0|3,0,0]=4 3020 B12R0.5 CCOCCSCCCCCCF 62a_100015922095_100011215890 [1,0,0,0,0,0|3,0,0]=4 3021 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [1,0,0,0,0,0|2,0,1]=4 3022 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [1,0,0,0,0,0|2,0,1]=4 3023 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [1,0,0,0,0,0|2,0,1]=4 3024 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [1,0,0,0,0,0|2,0,1]=4 3025 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [1,0,0,0,0,0|1,0,1]=3 3026 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [1,0,0,0,0,0|1,0,1]=3 3027 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [1,0,0,0,0,0|2,0,0]=3 3028 B12R0.5 CCSCCCOCCCCCF 34a_100011216438_100000729378 [1,0,0,0,0,0|3,0,0]=4 3029 B12R0.5 CCSCCCOCCCCCF 7a_100011216438_100000729378 [1,0,0,0,0,0|3,0,0]=4 3030 B12R0.5 CCSCCCOCCCCCO 34a_100011216438_100000746330 [1,0,0,0,0,0|2,0,1]=4 3031 B12R0.5 CCSCCCOCCCCCO 7a_100011216438_100000746330 [1,0,0,0,0,0|2,0,1]=4 3032 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [1,0,0,0,0,0|2,0,0]=3 3033 B12R0.5 CCSCCNCCCCCCF 2230a_100000106463_100015922095 [1,0,0,0,0,0|3,0,0]=4 3034 B12R0.5 CCSCCNCCCCCCO 2230a_100000106463_100000766143 [1,0,0,0,0,0|2,0,1]=4 3035 B12R0.5 CCSCCNCCCCCCO 2230a_100000686447_100000757381 [1,0,0,0,0,0|2,0,1]=4 3036 B12R0.5 CCSCCNCCCCCCO 34a_100000686447_100000757381 [1,0,0,0,0,0|2,0,1]=4 3037 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [1,0,0,0,0,0|2,0,0]=3 3038 B12R0.5 CCSCCOCCCCCCBr 34a_100011215345_100000757381 [1,0,0,0,0,0|3,0,0]=4 3039 B12R0.5 CCSCCOCCCCCCBr 7a_100011215345_100000757381 [1,0,0,0,0,0|3,0,0]=4 3040 B12R0.5 CCSCCOCCCCCCCl 34a_100000766143_100000757381 [1,0,0,0,0,0|3,0,0]=4 3041 B12R0.5 CCSCCOCCCCCCCl 7a_100000766143_100000757381 [1,0,0,0,0,0|3,0,0]=4 3042 B12R0.5 CCSCCOCCCCCCF 34a_100000212035_100015922095 [1,0,0,0,0,0|3,0,0]=4 3043 B12R0.5 CCSCCOCCCCCCF 34a_100000732779_100000757381 [1,0,0,0,0,0|3,0,0]=4 3044 B12R0.5 CCSCCOCCCCCCF 7a_100000212035_100015922095 [1,0,0,0,0,0|3,0,0]=4 3045 B12R0.5 CCSCCOCCCCCCF 7a_100000732779_100000757381 [1,0,0,0,0,0|3,0,0]=4 3046 B12R0.5 CCSCCOCCCCCCN 34a_100000686447_100000757381 [1,0,0,0,0,0|3,0,0]=4 3047 B12R0.5 CCSCCOCCCCCCO 34a_100000212035_100000766143 [1,0,0,0,0,0|2,0,1]=4 3048 B12R0.5 CCSCCOCCCCCCO 7a_100000212035_100000766143 [1,0,0,0,0,0|2,0,1]=4 3049 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [1,0,0,0,0,0|2,0,0]=3 3050 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [1,0,0,0,0,0|2,0,0]=3 3051 B12R0.5 CCSCCSCCCCCCF 62a_100000757381_100015922095 [1,0,0,0,0,0|3,0,0]=4 3052 B12R0.5 CCSCCSCCCCCCF 62a_100015922095_100000757381 [1,0,0,0,0,0|3,0,0]=4 3053 B12R0.5 CCSCCSCCCCCCO 62a_100000757381_100000766143 [1,0,0,0,0,0|2,0,1]=4 3054 B12R0.5 CCSCCSCCCCCCO 62a_100000766143_100000757381 [1,0,0,0,0,0|2,0,1]=4 3055 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [1,0,0,0,0,0|1,0,1]=3 3056 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [1,0,0,0,0,0|1,0,1]=3 3057 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [1,0,0,0,0,0|1,0,1]=3 3058 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [1,0,0,0,0,0|1,0,1]=3 3059 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [1,0,0,0,0,0|1,0,1]=3 3060 B12R0.5 CNCCCCCOCCCCF 34a_100000722520_100000729493 [1,0,0,0,0,0|3,0,0]=4 3061 B12R0.5 CNCCCCCOCCCCO 34a_100000722520_100011216708 [1,0,0,0,0,0|2,0,1]=4 3062 B12R0.5 CNCCCOCCCCCCF 34a_100000213112_100015922095 [1,0,0,0,0,0|3,0,0]=4 3063 B12R0.5 CNCCCOCCCCCCO 34a_100000213112_100000766143 [1,0,0,0,0,0|2,0,1]=4 3064 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [1,0,0,0,0,0|2,0,0]=3 3065 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [1,0,0,0,0,0|2,0,0]=3 3066 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [1,0,0,0,0,0|2,0,0]=3 3067 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [1,0,0,0,0,0|2,0,0]=3 3068 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [1,0,0,0,0,0|2,0,0]=3 3069 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [1,0,0,0,0,0|1,0,1]=3 3070 B12R0.5 COCCCCCCNCCCF 2230a_100015189416_100011998445 [1,0,0,0,0,0|3,0,0]=4 3071 B12R0.5 COCCCCCCNCCCF 34a_100015189416_100011998445 [1,0,0,0,0,0|3,0,0]=4 3072 B12R0.5 COCCCCCCOCCCBr 34a_100011217188_100011998445 [1,0,0,0,0,0|3,0,0]=4 3073 B12R0.5 COCCCCCCOCCCCl 34a_100000230001_100011998445 [1,0,0,0,0,0|3,0,0]=4 3074 B12R0.5 COCCCCCCOCCCF 34a_100000759539_100011998445 [1,0,0,0,0,0|3,0,0]=4 3075 B12R0.5 COCCCCCCOCCCF 34a_200012092642_100011934791 [1,0,0,0,0,0|3,0,0]=4 3076 B12R0.5 COCCCCCCOCCCF 7a_200012092642_100011934791 [1,0,0,0,0,0|3,0,0]=4 3077 B12R0.5 COCCCCCCOCCCN 34a_100000182051_100011998445 [1,0,0,0,0,0|3,0,0]=4 3078 B12R0.5 COCCCCCCOCCCO 34a_200012092642_100000230001 [1,0,0,0,0,0|2,0,1]=4 3079 B12R0.5 COCCCCCCOCCCO 7a_200012092642_100011215043 [1,0,0,0,0,0|2,0,1]=4 3080 B12R0.5 COCCCCCCSCCCF 62a_100011934791_100011998445 [1,0,0,0,0,0|3,0,0]=4 3081 B12R0.5 COCCCCCCSCCCF 62a_100011998445_100011934791 [1,0,0,0,0,0|3,0,0]=4 3082 B12R0.5 COCCCCCCSCCCO 62a_100011215043_100011998445 [1,0,0,0,0,0|2,0,1]=4 3083 B12R0.5 COCCCCCCSCCCO 62a_100011998445_100011215043 [1,0,0,0,0,0|2,0,1]=4 3084 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [1,0,0,0,0,0|2,0,0]=3 3085 B12R0.5 COCCCCCNCCCCF 2230a_100000747528_100000729493 [1,0,0,0,0,0|3,0,0]=4 3086 B12R0.5 COCCCCCNCCCCF 34a_100000747528_100000729493 [1,0,0,0,0,0|3,0,0]=4 3087 B12R0.5 COCCCCCNCCCCO 2230a_100000747528_100000210776 [1,0,0,0,0,0|2,0,1]=4 3088 B12R0.5 COCCCCCNCCCCO 34a_100000747528_100011216708 [1,0,0,0,0,0|2,0,1]=4 3089 B12R0.5 COCCCCNCCCCCO 2230a_100000762737_100000730899 [1,0,0,0,0,0|2,0,1]=4 3090 B12R0.5 COCCCCNCCCCCO 34a_100000762737_100000755781 [1,0,0,0,0,0|2,0,1]=4 3091 B12R0.5 COCCCCOCCCCCBr 34a_100000746331_100000755781 [1,0,0,0,0,0|3,0,0]=4 3092 B12R0.5 COCCCCOCCCCCBr 7a_100000746331_100000730899 [1,0,0,0,0,0|3,0,0]=4 3093 B12R0.5 COCCCCOCCCCCCl 34a_100000746330_100000755781 [1,0,0,0,0,0|3,0,0]=4 3094 B12R0.5 COCCCCOCCCCCCl 7a_100000746330_100000730899 [1,0,0,0,0,0|3,0,0]=4 3095 B12R0.5 COCCCCOCCCCCF 34a_100000740925_100000729378 [1,0,0,0,0,0|3,0,0]=4 3096 B12R0.5 COCCCCOCCCCCI 34a_200012148887_100000755781 [1,0,0,0,0,0|3,0,0]=4 3097 B12R0.5 COCCCCOCCCCCI 7a_200012148887_100000730899 [1,0,0,0,0,0|3,0,0]=4 3098 B12R0.5 COCCCCOCCCCCN 34a_100000762737_100000755781 [1,0,0,0,0,0|3,0,0]=4 3099 B12R0.5 COCCCCOCCCCCO 34a_100000740925_100000746330 [1,0,0,0,0,0|2,0,1]=4 3100 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [1,0,0,0,0,0|2,0,0]=3 3101 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [1,0,0,0,0,0|2,0,0]=3 3102 B12R0.5 COCCCCSCCCCCF 62a_100000729378_100000730899 [1,0,0,0,0,0|3,0,0]=4 3103 B12R0.5 COCCCCSCCCCCF 62a_100000730899_100000729378 [1,0,0,0,0,0|3,0,0]=4 3104 B12R0.5 COCCCCSCCCCCO 62a_100000730899_100000746330 [1,0,0,0,0,0|2,0,1]=4 3105 B12R0.5 COCCCCSCCCCCO 62a_100000746330_100000730899 [1,0,0,0,0,0|2,0,1]=4 3106 B12R0.5 COCCCNCCCCCCF 34a_100150723488_100015922095 [1,0,0,0,0,0|3,0,0]=4 3107 B12R0.5 COCCCNCCCCCCO 2230a_100000686447_100000740836 [1,0,0,0,0,0|2,0,1]=4 3108 B12R0.5 COCCCNCCCCCCO 34a_100000686447_100000740836 [1,0,0,0,0,0|2,0,1]=4 3109 B12R0.5 COCCCNCCCCCCO 34a_100150723488_100000766143 [1,0,0,0,0,0|2,0,1]=4 3110 B12R0.5 COCCCOCCCCCCBr 34a_100011215345_100000740836 [1,0,0,0,0,0|3,0,0]=4 3111 B12R0.5 COCCCOCCCCCCBr 7a_100011215345_100000740836 [1,0,0,0,0,0|3,0,0]=4 3112 B12R0.5 COCCCOCCCCCCCl 34a_100000766143_100000740836 [1,0,0,0,0,0|3,0,0]=4 3113 B12R0.5 COCCCOCCCCCCCl 7a_100000766143_100000740836 [1,0,0,0,0,0|3,0,0]=4 3114 B12R0.5 COCCCOCCCCCCF 34a_100000732779_100000740836 [1,0,0,0,0,0|3,0,0]=4 3115 B12R0.5 COCCCOCCCCCCF 34a_100000740835_100015922095 [1,0,0,0,0,0|3,0,0]=4 3116 B12R0.5 COCCCOCCCCCCF 7a_100000732779_100000740836 [1,0,0,0,0,0|3,0,0]=4 3117 B12R0.5 COCCCOCCCCCCN 34a_100000686447_100000740836 [1,0,0,0,0,0|3,0,0]=4 3118 B12R0.5 COCCCOCCCCCCO 34a_100000740835_100000766143 [1,0,0,0,0,0|2,0,1]=4 3119 B12R0.5 COCCCOCCCOCC=O 34a_200011215475_200009817547 [1,0,0,0,0,0|3,0,0]=4 3120 B12R0.5 COCCCOCCCOCC=O 7a_200011215475_200015260668 [1,0,0,0,0,0|3,0,0]=4 3121 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [1,0,0,0,0,0|2,0,0]=3 3122 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [1,0,0,0,0,0|2,0,0]=3 3123 B12R0.5 COCCCSCCCCCCF 62a_100000709357_100015922095 [1,0,0,0,0,0|3,0,0]=4 3124 B12R0.5 COCCCSCCCCCCF 62a_100015922095_100000709357 [1,0,0,0,0,0|3,0,0]=4 3125 B12R0.5 COCCCSCCCCCCO 62a_100000709357_100000766143 [1,0,0,0,0,0|2,0,1]=4 3126 B12R0.5 COCCCSCCCCCCO 62a_100000766143_100000709357 [1,0,0,0,0,0|2,0,1]=4 3127 B12R0.5 COCCNCCCCCCCO 2230a_100000209980_100000760002 [1,0,0,0,0,0|2,0,1]=4 3128 B12R0.5 COCCNCCCCCCCO 2230a_100011996573_100011201679 [1,0,0,0,0,0|2,0,1]=4 3129 B12R0.5 COCCNCCCCCCCO 34a_100011996573_100011201679 [1,0,0,0,0,0|2,0,1]=4 3130 B12R0.5 COCCOCCCCCCCBr 34a_100000760002_100011201679 [1,0,0,0,0,0|3,0,0]=4 3131 B12R0.5 COCCOCCCCCCCBr 7a_100000760002_100000233755 [1,0,0,0,0,0|3,0,0]=4 3132 B12R0.5 COCCOCCCCCCCN 34a_100011996573_100011201679 [1,0,0,0,0,0|3,0,0]=4 3133 B12R0.5 COCCOCCCCCCCO 34a_100000210237_100000760002 [1,0,0,0,0,0|2,0,1]=4 3134 B12R0.5 COCCOCCNCCCC=O 2230a_100000745349_200011292268 [1,0,0,0,0,0|3,0,0]=4 3135 B12R0.5 COCCOCCOCCCC=O 7a_100011215163_200011292268 [1,0,0,0,0,0|3,0,0]=4 3136 B12R0.5 COCCOCCSCCCC=O 62a_100000695917_200011292268 [1,0,0,0,0,0|3,0,0]=4 3137 B12R0.5 COCCOCCSCCCC=O 62a_200011292268_100000695917 [1,0,0,0,0,0|3,0,0]=4 3138 B12R0.5 COCCOCSCCCCC=O 62a_100000139335_100000231047 [1,0,0,0,0,0|3,0,0]=4 3139 B12R0.5 COCCOCSCCCCC=O 62a_100000231047_100000139335 [1,0,0,0,0,0|3,0,0]=4 3140 B12R0.5 COCCSCCCCCCCO 62a_100000233755_100000760002 [1,0,0,0,0,0|2,0,1]=4 3141 B12R0.5 COCCSCCCCCCCO 62a_100000760002_100000233755 [1,0,0,0,0,0|2,0,1]=4 3142 B12R0.5 COCNCCCCCCCCO 2230a_102515433106_100000766300 [1,0,0,0,0,0|2,0,1]=4 3143 B12R0.5 COCSCCCCCCCCO 62a_100000033203_100000766300 [1,0,0,0,0,0|2,0,1]=4 3144 B12R0.5 COCSCCCCCCCCO 62a_100000766300_100000033203 [1,0,0,0,0,0|2,0,1]=4 3145 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [1,0,0,0,0,0|1,0,1]=3 3146 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [1,0,0,0,0,0|1,0,1]=3 3147 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [1,0,0,0,0,0|2,0,0]=3 3148 B12R0.5 CSCCCCOCCCCCF 34a_100011217163_100000729378 [1,0,0,0,0,0|3,0,0]=4 3149 B12R0.5 CSCCCCOCCCCCF 7a_100011217163_100000729378 [1,0,0,0,0,0|3,0,0]=4 3150 B12R0.5 CSCCCCOCCCCCO 34a_100011217163_100000746330 [1,0,0,0,0,0|2,0,1]=4 3151 B12R0.5 CSCCCCOCCCCCO 7a_100011217163_100000746330 [1,0,0,0,0,0|2,0,1]=4 3152 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [1,0,0,0,0,0|2,0,0]=3 3153 B12R0.5 CSCCCNCCCCCCF 2230a_100000749238_100015922095 [1,0,0,0,0,0|3,0,0]=4 3154 B12R0.5 CSCCCNCCCCCCO 2230a_100000749238_100000766143 [1,0,0,0,0,0|2,0,1]=4 3155 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [1,0,0,0,0,0|2,0,0]=3 3156 B12R0.5 CSCCCOCCCCCCF 34a_100000690336_100015922095 [1,0,0,0,0,0|3,0,0]=4 3157 B12R0.5 CSCCCOCCCCCCF 7a_100000690336_100015922095 [1,0,0,0,0,0|3,0,0]=4 3158 B12R0.5 CSCCCOCCCCCCO 34a_100000690336_100000766143 [1,0,0,0,0,0|2,0,1]=4 3159 B12R0.5 CSCCCOCCCCCCO 7a_100000690336_100000766143 [1,0,0,0,0,0|2,0,1]=4 3160 B12R0.5 CSCCNCCCCCCCO 2230a_100011996573_100000751147 [1,0,0,0,0,0|2,0,1]=4 3161 B12R0.5 CSCCNCCCCCCCO 2230a_100020590264_100000760002 [1,0,0,0,0,0|2,0,1]=4 3162 B12R0.5 CSCCNCCCCCCCO 34a_100011996573_100000212216 [1,0,0,0,0,0|2,0,1]=4 3163 B12R0.5 CSCCOCCCCCCCBr 34a_100000760002_100000212216 [1,0,0,0,0,0|3,0,0]=4 3164 B12R0.5 CSCCOCCCCCCCBr 7a_100000760002_100000212216 [1,0,0,0,0,0|3,0,0]=4 3165 B12R0.5 CSCCOCCCCCCCN 34a_100011996573_100000212216 [1,0,0,0,0,0|3,0,0]=4 3166 B12R0.5 CSCCOCCCCCCCO 34a_100000230434_100000760002 [1,0,0,0,0,0|2,0,1]=4 3167 B12R0.5 CSCCOCCCCCCCO 7a_100000230434_100000760002 [1,0,0,0,0,0|2,0,1]=4 3168 B12R0.5 CSCCSCCCCCCCO 62a_100000212216_100000760002 [1,0,0,0,0,0|2,0,1]=4 3169 B12R0.5 CSCCSCCCCCCCO 62a_100000760002_100000751147 [1,0,0,0,0,0|2,0,1]=4 3170 B12R0.5 CSCNCCCCCCCCO 2230a_102515433106_100011218213 [1,0,0,0,0,0|2,0,1]=4 3171 B12R0.5 CSCNCCCCCCCCO 34a_102515433106_100011218213 [1,0,0,0,0,0|2,0,1]=4 3172 B12R0.5 CSCOCCCCCCCCBr 34a_100009813846_100011218213 [1,0,0,0,0,0|3,0,0]=4 3173 B12R0.5 CSCOCCCCCCCCCl 34a_100000033203_100011218213 [1,0,0,0,0,0|3,0,0]=4 3174 B12R0.5 CSCOCCCCCCCCN 34a_102515433106_100011218213 [1,0,0,0,0,0|3,0,0]=4 3175 B12R0.5 CSCSCCCCCCCCO 62a_100000033203_100011218213 [1,0,0,0,0,0|2,0,1]=4 3176 B12R0.5 CSCSCCCCCCCCO 62a_100011218213_100000033203 [1,0,0,0,0,0|2,0,1]=4 3177 B12R0.5 FCCCCCCOCCCCBr 34a_100011216708_100015922095 [1,0,0,0,0,0|3,0,0]=4 3178 B12R0.5 FCCCCCCOCCCCCl 34a_100000210776_100015922095 [1,0,0,0,0,0|3,0,0]=4 3179 B12R0.5 FCCCCCCOCCCCCl 7a_100000210776_100015922095 [1,0,0,0,0,0|3,0,0]=4 3180 B12R0.5 FCCCCCCOCCCCF 34a_100000732779_100000729493 [1,0,0,0,0,0|3,0,0]=4 3181 B12R0.5 FCCCCCCOCCCCF 34a_100011995726_100015922095 [1,0,0,0,0,0|3,0,0]=4 3182 B12R0.5 FCCCCCCOCCCCF 7a_100000732779_100000729493 [1,0,0,0,0,0|3,0,0]=4 3183 B12R0.5 FCCCCCCOCCCCF 7a_100011995726_100015922095 [1,0,0,0,0,0|3,0,0]=4 3184 B12R0.5 FCCCCCCOCCCCI 34a_200012148704_100015922095 [1,0,0,0,0,0|3,0,0]=4 3185 B12R0.5 FCCCCCCSCCCCF 62a_100000729493_100015922095 [1,0,0,0,0,0|3,0,0]=4 3186 B12R0.5 FCCCCCCSCCCCF 62a_100015922095_100000729493 [1,0,0,0,0,0|3,0,0]=4 3187 B12R0.5 FCCCCCOCCCCCBr 34a_100000746331_100000729378 [1,0,0,0,0,0|3,0,0]=4 3188 B12R0.5 FCCCCCOCCCCCBr 7a_100000746331_100000729378 [1,0,0,0,0,0|3,0,0]=4 3189 B12R0.5 FCCCCCOCCCCCCl 34a_100000746330_100000729378 [1,0,0,0,0,0|3,0,0]=4 3190 B12R0.5 FCCCCCOCCCCCCl 7a_100000746330_100000729378 [1,0,0,0,0,0|3,0,0]=4 3191 B12R0.5 FCCCCCOCCCCCI 34a_200012148887_100000729378 [1,0,0,0,0,0|3,0,0]=4 3192 B12R0.5 FCCCCCOCCCCCI 7a_200012148887_100000729378 [1,0,0,0,0,0|3,0,0]=4 3193 B12R0.5 FCCCCCSCCCCCF 62a_100000729378_100000729378 [1,0,0,0,0,0|3,0,0]=4 3194 B12R0.5 FCCCCOCCCCCCBr 34a_100011215345_100000729493 [1,0,0,0,0,0|3,0,0]=4 3195 B12R0.5 FCCCCOCCCCCCBr 7a_100011215345_100000729493 [1,0,0,0,0,0|3,0,0]=4 3196 B12R0.5 FCCCCOCCCCCCCl 34a_100000766143_100000729493 [1,0,0,0,0,0|3,0,0]=4 3197 B12R0.5 FCCCCOCCCCCCCl 7a_100000766143_100000729493 [1,0,0,0,0,0|3,0,0]=4 3198 B12R0.5 FCCCOCCCCCCCBr 34a_100000760002_100011934791 [1,0,0,0,0,0|3,0,0]=4 3199 B12R0.5 FCCCOCCCCCCCBr 7a_100000760002_100011934791 [1,0,0,0,0,0|3,0,0]=4 3200 B12R0.5 FCCOCCCCCCCCBr 34a_100009813846_100011217306 [1,0,0,0,0,0|3,0,0]=4 3201 B12R0.5 FCCOCCCCCCCCBr 7a_100009813846_100011217306 [1,0,0,0,0,0|3,0,0]=4 3202 B12R0.5 FCCOCCCCCCCCCl 34a_100000033203_100011217306 [1,0,0,0,0,0|3,0,0]=4 3203 B12R0.5 FCCOCCCCCCCCCl 7a_100000033203_100011217306 [1,0,0,0,0,0|3,0,0]=4 3204 B12R0.5 FCOCCCCCCCCCBr 34a_100009813782_100015361967 [1,0,0,0,0,0|3,0,0]=4 3205 B12R0.5 FCOCCCCCCCCCBr 7a_100009813782_100015361967 [1,0,0,0,0,0|3,0,0]=4 3206 B12R0.5 FCOCCCCCCCCCCl 34a_100009868337_100015361967 [1,0,0,0,0,0|3,0,0]=4 3207 B12R0.5 FCOCCCCCCCCCCl 7a_100009868337_100015361967 [1,0,0,0,0,0|3,0,0]=4 3208 B12R0.5 N#CCCCCCSCCCC=O 62a_100009813376_200011292268 [1,0,0,0,0,0|2,0,1]=4 3209 B12R0.5 N#CCCCCCSCCCC=O 62a_200011292268_100009813376 [1,0,0,0,0,0|2,0,1]=4 3210 B12R0.5 N#CCCCCSCCCCC=O 62a_100000139335_100000211819 [1,0,0,0,0,0|2,0,1]=4 3211 B12R0.5 N#CCCCCSCCCCC=O 62a_100011219923_100000139335 [1,0,0,0,0,0|2,0,1]=4 3212 B12R0.5 N#CCCCSCCCCCC=O 62a_100000139337_100000687738 [1,0,0,0,0,0|2,0,1]=4 3213 B12R0.5 N#CCCCSCCCCCC=O 62a_100000687738_100000139337 [1,0,0,0,0,0|2,0,1]=4 3214 B12R0.5 NCCCCCCCCCOCF 34a_100000078944_100015361967 [1,0,0,0,0,0|3,0,0]=4 3215 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [1,0,0,0,0,0|2,0,0]=3 3216 B12R0.5 NCCCCCCCCOCCF 34a_102515433106_100011217306 [1,0,0,0,0,0|3,0,0]=4 3217 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [1,0,0,0,0,0|2,0,1]=4 3218 B12R0.5 NCCCCCCCOCCCF 34a_100011996573_100011934791 [1,0,0,0,0,0|3,0,0]=4 3219 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [1,0,0,0,0,0|2,0,1]=4 3220 B12R0.5 NCCCCCCOCCCCF 34a_100000686447_100000729493 [1,0,0,0,0,0|3,0,0]=4 3221 B12R0.5 NCCCCCCOCCCCO 34a_100000686447_100011216708 [1,0,0,0,0,0|2,0,1]=4 3222 B12R0.5 NCCCCCOCCCCCF 34a_100000762737_100000729378 [1,0,0,0,0,0|3,0,0]=4 3223 B12R0.5 NCCCCCOCCCCCO 34a_100000762737_100000746330 [1,0,0,0,0,0|2,0,1]=4 3224 B12R0.5 NCCCCOCCCCCCF 34a_100000750430_100015922095 [1,0,0,0,0,0|3,0,0]=4 3225 B12R0.5 NCCCCOCCCCCCO 34a_100000750430_100000766143 [1,0,0,0,0,0|2,0,1]=4 3226 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [1,0,0,0,0,0|2,0,1]=4 3227 B12R0.5 NCCNCCCCCOCC=O 34a_103619048469_200009817547 [1,0,0,0,0,0|3,0,0]=4 3228 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [1,0,0,0,0,0|2,0,1]=4 3229 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [1,0,0,0,0,0|2,0,0]=3 3230 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [1,0,0,0,0,0|2,0,0]=3 3231 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [1,0,0,0,0,0|2,0,0]=3 3232 B12R0.5 O=CCCCCCSCCCC=O 62a_100000139337_200011292268 [1,0,0,0,0,0|2,0,1]=4 3233 B12R0.5 O=CCCCCCSCCCC=O 62a_200011292268_100000139337 [1,0,0,0,0,0|2,0,1]=4 3234 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [1,0,0,0,0,0|2,0,0]=3 3235 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [1,0,0,0,0,0|2,0,0]=3 3236 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [1,0,0,0,0,0|2,0,0]=3 3237 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [1,0,0,0,0,0|2,0,0]=3 3238 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [1,0,0,0,0,0|2,0,0]=3 3239 B12R0.5 O=CCCCCNCCOCCO 2230a_100000211614_100000139335 [1,0,0,0,0,0|3,0,0]=4 3240 B12R0.5 O=CCCCCNCCSCCO 2230a_100011219999_100000139335 [1,0,0,0,0,0|3,0,0]=4 3241 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [1,0,0,0,0,0|2,0,0]=3 3242 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [1,0,0,0,0,0|2,0,0]=3 3243 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [1,0,0,0,0,0|2,0,0]=3 3244 B12R0.5 O=CCCCCOCCOCCBr 7a_100000692535_100000139335 [1,0,0,0,0,0|3,0,0]=4 3245 B12R0.5 O=CCCCCOCCOCCCl 7a_100011215305_100000139335 [1,0,0,0,0,0|3,0,0]=4 3246 B12R0.5 O=CCCCCOCCOCCF 7a_200015357709_100000139335 [1,0,0,0,0,0|3,0,0]=4 3247 B12R0.5 O=CCCCCOCCOCCI 7a_100012149058_100000139335 [1,0,0,0,0,0|3,0,0]=4 3248 B12R0.5 O=CCCCCSCCCCC=O 62a_100000139335_100000139335 [1,0,0,0,0,0|2,0,1]=4 3249 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [1,0,0,0,0,0|2,0,0]=3 3250 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [1,0,0,0,0,0|2,0,0]=3 3251 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [1,0,0,0,0,0|2,0,0]=3 3252 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [1,0,0,0,0,0|2,0,0]=3 3253 B12R0.5 O=CCCCCSCCOCCO 62a_100000139335_100011215305 [1,0,0,0,0,0|3,0,0]=4 3254 B12R0.5 O=CCCCCSCCOCCO 62a_100011215305_100000139335 [1,0,0,0,0,0|3,0,0]=4 3255 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [1,0,0,0,0,0|2,0,0]=3 3256 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [1,0,0,0,0,0|2,0,0]=3 3257 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [1,0,0,0,0,0|2,0,0]=3 3258 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [1,0,0,0,0,0|2,0,0]=3 3259 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [1,0,0,0,0,0|2,0,0]=3 3260 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [1,0,0,0,0,0|2,0,0]=3 3261 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [1,0,0,0,0,0|2,0,0]=3 3262 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [1,0,0,0,0,0|2,0,0]=3 3263 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [1,0,0,0,0,0|2,0,0]=3 3264 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [1,0,0,0,0,0|2,0,0]=3 3265 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [1,0,0,0,0,0|2,0,0]=3 3266 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [1,0,0,0,0,0|2,0,0]=3 3267 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [1,0,0,0,0,0|2,0,0]=3 3268 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [1,0,0,0,0,0|2,0,0]=3 3269 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [1,0,0,0,0,0|2,0,0]=3 3270 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [1,0,0,0,0,0|2,0,0]=3 3271 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [1,0,0,0,0,0|2,0,1]=4 3272 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [1,0,0,0,0,0|2,0,1]=4 3273 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [1,0,0,0,0,0|2,0,1]=4 3274 B12R0.5 OCCCCCCCCNCCF 2230a_102515433106_100011217306 [1,0,0,0,0,0|2,0,1]=4 3275 B12R0.5 OCCCCCCCCNCCF 34a_100000724931_100000033203 [1,0,0,0,0,0|2,0,1]=4 3276 B12R0.5 OCCCCCCCCNCCF 34a_102515433106_100011217306 [1,0,0,0,0,0|2,0,1]=4 3277 B12R0.5 OCCCCCCCCNCCO 2230a_100016997473_100000033203 [1,0,0,0,0,0|2,0,1]=4 3278 B12R0.5 OCCCCCCCCNCCO 2230a_102515433106_100000211926 [1,0,0,0,0,0|2,0,1]=4 3279 B12R0.5 OCCCCCCCCNCCO 34a_100016990907_100000033203 [1,0,0,0,0,0|2,0,1]=4 3280 B12R0.5 OCCCCCCCCNCCO 34a_102515433106_100000211926 [1,0,0,0,0,0|2,0,1]=4 3281 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [1,0,0,0,0,0|2,0,1]=4 3282 B12R0.5 OCCCCCCCCSCCF 62a_100000033203_100011217306 [1,0,0,0,0,0|2,0,1]=4 3283 B12R0.5 OCCCCCCCCSCCF 62a_100011217306_100000033203 [1,0,0,0,0,0|2,0,1]=4 3284 B12R0.5 OCCCCCCCCSCCO 62a_100000033203_100000211926 [1,0,0,0,0,0|2,0,1]=4 3285 B12R0.5 OCCCCCCCCSCCO 62a_100000211926_100000033203 [1,0,0,0,0,0|2,0,1]=4 3286 B12R0.5 OCCCCCCCNCCCF 2230a_100011996573_100011934791 [1,0,0,0,0,0|2,0,1]=4 3287 B12R0.5 OCCCCCCCNCCCF 2230a_100015189416_100000760002 [1,0,0,0,0,0|2,0,1]=4 3288 B12R0.5 OCCCCCCCNCCCF 34a_100011996573_100011934791 [1,0,0,0,0,0|2,0,1]=4 3289 B12R0.5 OCCCCCCCNCCCF 34a_100015189416_100000760002 [1,0,0,0,0,0|2,0,1]=4 3290 B12R0.5 OCCCCCCCNCCCO 2230a_100011996573_100000230001 [1,0,0,0,0,0|2,0,1]=4 3291 B12R0.5 OCCCCCCCNCCCO 34a_100011996573_100000230001 [1,0,0,0,0,0|2,0,1]=4 3292 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [1,0,0,0,0,0|2,0,1]=4 3293 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [1,0,0,0,0,0|2,0,1]=4 3294 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [1,0,0,0,0,0|2,0,1]=4 3295 B12R0.5 OCCCCCCCSCCCF 62a_100000760002_100011934791 [1,0,0,0,0,0|2,0,1]=4 3296 B12R0.5 OCCCCCCCSCCCF 62a_100011934791_100000760002 [1,0,0,0,0,0|2,0,1]=4 3297 B12R0.5 OCCCCCCCSCCCO 62a_100000760002_100011215043 [1,0,0,0,0,0|2,0,1]=4 3298 B12R0.5 OCCCCCCCSCCCO 62a_100011215043_100000760002 [1,0,0,0,0,0|2,0,1]=4 3299 B12R0.5 OCCCCCCNCCCCF 2230a_100000686447_100000729493 [1,0,0,0,0,0|2,0,1]=4 3300 B12R0.5 OCCCCCCNCCCCF 34a_100000686447_100000729493 [1,0,0,0,0,0|2,0,1]=4 3301 B12R0.5 OCCCCCCNCCCCO 2230a_100000686447_100000210776 [1,0,0,0,0,0|2,0,1]=4 3302 B12R0.5 OCCCCCCNCCCCO 2230a_100000750430_100000766143 [1,0,0,0,0,0|2,0,1]=4 3303 B12R0.5 OCCCCCCNCCCCO 34a_100000686447_100011216708 [1,0,0,0,0,0|2,0,1]=4 3304 B12R0.5 OCCCCCCNCCCCO 34a_100000750430_100000766143 [1,0,0,0,0,0|2,0,1]=4 3305 B12R0.5 OCCCCCCOCCCCBr 34a_100011216708_100000766143 [1,0,0,0,0,0|2,0,1]=4 3306 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [1,0,0,0,0,0|2,0,1]=4 3307 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [1,0,0,0,0,0|2,0,1]=4 3308 B12R0.5 OCCCCCCOCCCCF 34a_100011995726_100000766143 [1,0,0,0,0,0|2,0,1]=4 3309 B12R0.5 OCCCCCCOCCCCF 7a_100011995726_100000766143 [1,0,0,0,0,0|2,0,1]=4 3310 B12R0.5 OCCCCCCOCCCCI 34a_200012148704_100000766143 [1,0,0,0,0,0|2,0,1]=4 3311 B12R0.5 OCCCCCCSCCCCF 62a_100000729493_100000766143 [1,0,0,0,0,0|2,0,1]=4 3312 B12R0.5 OCCCCCCSCCCCF 62a_100000766143_100000729493 [1,0,0,0,0,0|2,0,1]=4 3313 B12R0.5 OCCCCCCSCCCCO 62a_100000210776_100000766143 [1,0,0,0,0,0|2,0,1]=4 3314 B12R0.5 OCCCCCCSCCCCO 62a_100000766143_100000210776 [1,0,0,0,0,0|2,0,1]=4 3315 B12R0.5 OCCCCCNCCCCCF 2230a_100000762737_100000729378 [1,0,0,0,0,0|2,0,1]=4 3316 B12R0.5 OCCCCCNCCCCCF 34a_100000762737_100000729378 [1,0,0,0,0,0|2,0,1]=4 3317 B12R0.5 OCCCCCNCCCCCO 2230a_100000762737_100000746330 [1,0,0,0,0,0|2,0,1]=4 3318 B12R0.5 OCCCCCNCCCCCO 34a_100000762737_100000746330 [1,0,0,0,0,0|2,0,1]=4 3319 B12R0.5 OCCCCCOCCCCCBr 34a_100000746331_100000746330 [1,0,0,0,0,0|2,0,1]=4 3320 B12R0.5 OCCCCCOCCCCCBr 7a_100000746331_100000746330 [1,0,0,0,0,0|2,0,1]=4 3321 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [1,0,0,0,0,0|2,0,1]=4 3322 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [1,0,0,0,0,0|2,0,1]=4 3323 B12R0.5 OCCCCCOCCCCCI 34a_200012148887_100000746330 [1,0,0,0,0,0|2,0,1]=4 3324 B12R0.5 OCCCCCOCCCCCI 7a_200012148887_100000746330 [1,0,0,0,0,0|2,0,1]=4 3325 B12R0.5 OCCCCCSCCCCCF 62a_100000729378_100000746330 [1,0,0,0,0,0|2,0,1]=4 3326 B12R0.5 OCCCCCSCCCCCF 62a_100000746330_100000729378 [1,0,0,0,0,0|2,0,1]=4 3327 B12R0.5 OCCCCCSCCCCCO 62a_100000746330_100000746330 [1,0,0,0,0,0|2,0,1]=4 3328 B12R0.5 OCCCCNCCCCCCF 2230a_100000750430_100015922095 [1,0,0,0,0,0|2,0,1]=4 3329 B12R0.5 OCCCCNCCCCCCF 34a_100000750430_100015922095 [1,0,0,0,0,0|2,0,1]=4 3330 B12R0.5 OCCCCOCCCCCCBr 34a_100011215345_100011216708 [1,0,0,0,0,0|2,0,1]=4 3331 B12R0.5 OCCCCOCCCCCCBr 7a_100011215345_100000210776 [1,0,0,0,0,0|2,0,1]=4 3332 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [1,0,0,0,0,0|2,0,1]=4 3333 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [1,0,0,0,0,0|2,0,1]=4 3334 B12R0.5 OCCCCOCCCCCCF 34a_100000732779_100011216708 [1,0,0,0,0,0|2,0,1]=4 3335 B12R0.5 OCCCCOCCCCCCF 7a_100000732779_100000210776 [1,0,0,0,0,0|2,0,1]=4 3336 B12R0.5 OCCCCSCCCCCCF 62a_100000210776_100015922095 [1,0,0,0,0,0|2,0,1]=4 3337 B12R0.5 OCCCCSCCCCCCF 62a_100015922095_100000210776 [1,0,0,0,0,0|2,0,1]=4 3338 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [1,0,0,0,0,0|2,0,1]=4 3339 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [1,0,0,0,0,0|2,0,1]=4 3340 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [1,0,0,0,0,0|2,0,1]=4 3341 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [1,0,0,0,0,0|2,0,1]=4 3342 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [1,0,0,0,0,0|2,0,1]=4 3343 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [1,0,0,0,0,0|2,0,1]=4 3344 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [1,0,0,0,0,0|1,0,1]=3 3345 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [1,0,0,0,0,0|1,0,1]=3 3346 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [1,0,0,0,0,0|2,0,0]=3 3347 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [1,0,0,0,0,0|2,0,0]=3 3348 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [1,0,0,0,0,0|2,0,0]=3 3349 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [1,0,0,0,0,0|2,0,0]=3 3350 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [1,0,0,0,0,0|2,0,0]=3 3351 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [1,0,0,0,0,0|1,0,1]=3 3352 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [1,0,0,0,0,0|1,0,1]=3 3353 B14R0.145 C#CCCCCC(=O)CCCCCCC 1458a_100000211969_100010269958 [0,1,0,0,0,0|1,0,2]=4 3354 B14R0.145 C#CCCCCC(=O)CCCCCCC 1458a_100000696528_100000210614 [0,1,0,0,0,0|1,0,2]=4 3355 B14R0.145 C#CCCCCCC(=O)CCCCCC 1458a_100000694772_100000210757 [0,1,0,0,0,0|1,0,2]=4 3356 B14R0.145 C#CCCCCCC(=O)CCCCCC 1458a_100102632555_100012094781 [0,1,0,0,0,0|1,0,2]=4 3357 B14R0.145 C#CCCCCCN(C)CCCCCC 2230a_106256046315_100012094781 [0,1,0,0,0,0|2,0,1]=4 3358 B14R0.145 C#CCCCCCN(C)CCCCCC 269982a_106256046315_100012094781 [0,1,0,0,0,0|2,0,1]=4 3359 B14R0.145 C#CCCCCN(C)CCCCCCC 2230a_100000228206_100010269958 [0,1,0,0,0,0|2,0,1]=4 3360 B14R0.145 C#CCCCCN(C)CCCCCCC 269982a_100000228206_100010269958 [0,1,0,0,0,0|2,0,1]=4 3361 B14R0.145 C#CCCCCNC(C)CCCCCC 2230a_100000210919_100010269958 [0,1,0,0,0,0|2,0,1]=4 3362 B14R0.145 C#CCCCCNC(C)CCCCCC 2230a_100000706060_100011215978 [0,1,0,0,0,0|2,0,1]=4 3363 B14R0.145 C#CCCCCNC(C)CCCCCC 34a_100000210919_100010269958 [0,1,0,0,0,0|2,0,1]=4 3364 B14R0.145 C#CCCCCNC(C)CCCCCC 34a_100000706060_100011215978 [0,1,0,0,0,0|2,0,1]=4 3365 B14R0.145 C#CCCCCOC(C)CCCCCC 34a_100000210265_100010269958 [0,1,0,0,0,0|2,0,1]=4 3366 B14R0.145 C#CCCCCOC(C)CCCCCC 34a_100000766709_100011215978 [0,1,0,0,0,0|2,0,1]=4 3367 B14R0.145 C#CCCCCOC(C)CCCCCC 7a_100000210265_100010269958 [0,1,0,0,0,0|2,0,1]=4 3368 B14R0.145 C#CCCCCOC(C)CCCCCC 7a_100000766709_100011215978 [0,1,0,0,0,0|2,0,1]=4 3369 B14R0.145 C#CCCCCSC(C)CCCCCC 62a_100010269958_100011215978 [0,1,0,0,0,0|2,0,1]=4 3370 B14R0.145 C#CCCCCSC(C)CCCCCC 62a_100011215978_100010269958 [0,1,0,0,0,0|2,0,1]=4 3371 B14R0.145 C#CCCCNC(C)CCCCCCC 270004a_100000718082_100000210596 [0,1,0,0,0,0|2,0,1]=4 3372 B14R0.145 C#CCCCNC(C)CCCCCCC 34a_100000718082_200011218727 [0,1,0,0,0,0|2,0,1]=4 3373 B14R0.145 C#CCCCOC(C)CCCCCCC 34a_100000215630_200011218727 [0,1,0,0,0,0|2,0,1]=4 3374 B14R0.145 C#CCCCOC(C)CCCCCCC 34a_200011215852_100000695029 [0,1,0,0,0,0|2,0,1]=4 3375 B14R0.145 C#CCCCOC(C)CCCCCCC 7a_100000215630_200011218727 [0,1,0,0,0,0|2,0,1]=4 3376 B14R0.145 C#CCCCOC(C)CCCCCCC 7a_200011215852_100011215417 [0,1,0,0,0,0|2,0,1]=4 3377 B14R0.145 C#CCCCSC(C)CCCCCCC 62a_100011215417_200011218727 [0,1,0,0,0,0|2,0,1]=4 3378 B14R0.145 C#CCCCSC(C)CCCCCCC 62a_200011218727_100011215417 [0,1,0,0,0,0|2,0,1]=4 3379 B14R0.145 C#CCCOCCC(C)CCCCCC 34a_200011024964_100000688953 [0,1,0,0,0,0|2,0,1]=4 3380 B14R0.145 C#CCCOCCC(C)CCCCCC 7a_200011024964_100000688953 [0,1,0,0,0,0|2,0,1]=4 3381 B14R0.145 C/C=C/CCOC(C)CCCCCCC 34a_100016278192_200011218727 [0,1,0,0,0,0|2,0,1]=4 3382 B14R0.145 C/C=C/COCCC(C)CCCCCC 34a_200011024964_100102629194 [0,1,0,0,0,0|2,0,1]=4 3383 B14R0.145 C/C=C/COCCC(C)CCCCCC 7a_200011024964_100102629194 [0,1,0,0,0,0|2,0,1]=4 3384 B14R0.145 C=CCCCCC(=O)CCCCCCC 1458a_100000211969_100011215482 [0,1,0,0,0,0|1,0,1]=3 3385 B14R0.145 C=CCCCCC(=O)CCCCCCC 1458a_100011215552_100000210614 [0,1,0,0,0,0|1,0,1]=3 3386 B14R0.145 C=CCCCCC(=O)CCCCCCF 1458a_100011215552_100015922095 [0,1,0,0,0,0|2,0,1]=4 3387 B14R0.145 C=CCCCCC(=O)CCCCCCO 1458a_100011215552_100000766143 [0,1,0,0,0,0|2,0,1]=4 3388 B14R0.145 C=CCCCCC(=O)CCCCCCO 1458a_100011996774_100011215482 [0,1,0,0,0,0|2,0,1]=4 3389 B14R0.145 C=CCCCCC(=O)CCCCCOC 1458a_100011935119_100011215482 [0,1,0,0,0,0|2,0,1]=4 3390 B14R0.145 C=CCCCCC(=O)CCOCCCC 1458a_100011215552_100000743108 [0,1,0,0,0,0|2,0,1]=4 3391 B14R0.145 C=CCCCCC(=O)NCCCCCC 11a_100000210581_100011215552 [0,1,0,0,0,0|2,0,1]=4 3392 B14R0.145 C=CCCCCC(=O)NCCCCCC 1626a_100000210581_100011215552 [0,1,0,0,0,0|2,0,1]=4 3393 B14R0.145 C=CCCCCC(=O)NCCCCCC 240690a_100000210581_100011215552 [0,1,0,0,0,0|2,0,1]=4 3394 B14R0.145 C=CCCCCC(=O)NCCCCCC 527a_100000210581_100011215552 [0,1,0,0,0,0|2,0,1]=4 3395 B14R0.145 C=CCCCCCC(=O)CCCCCC 1458a_100011934241_100000210757 [0,1,0,0,0,0|1,0,1]=3 3396 B14R0.145 C=CCCCCCC(=O)CCCCCC 1458a_100102632555_100000700193 [0,1,0,0,0,0|1,0,1]=3 3397 B14R0.145 C=CCCCCCC(=O)CCCCCF 1458a_100011934241_100000729378 [0,1,0,0,0,0|2,0,1]=4 3398 B14R0.145 C=CCCCCCC(=O)CCCCCO 1458a_100011934241_100000746330 [0,1,0,0,0,0|2,0,1]=4 3399 B14R0.145 C=CCCCCCC(=O)CCCCCO 1458a_100102619762_100000700193 [0,1,0,0,0,0|2,0,1]=4 3400 B14R0.145 C=CCCCCCC(=O)CCCCOC 1458a_100011934241_100000755781 [0,1,0,0,0,0|2,0,1]=4 3401 B14R0.145 C=CCCCCCC(=O)CCCOCC 1458a_100011934241_100012232248 [0,1,0,0,0,0|2,0,1]=4 3402 B14R0.145 C=CCCCCCC(=O)CCOCCC 1458a_100011934241_100011215938 [0,1,0,0,0,0|2,0,1]=4 3403 B14R0.145 C=CCCCCCC(=O)COCCCC 1458a_100000757543_100000700193 [0,1,0,0,0,0|2,0,1]=4 3404 B14R0.145 C=CCCCCCC(=O)COCCCC 1458a_100011934241_100011995733 [0,1,0,0,0,0|2,0,1]=4 3405 B14R0.145 C=CCCCCCC(=O)CSCCCC 1458a_100000191162_100000700193 [0,1,0,0,0,0|2,0,1]=4 3406 B14R0.145 C=CCCCCCC(=O)NCCCCC 11a_100000209983_100011934241 [0,1,0,0,0,0|2,0,1]=4 3407 B14R0.145 C=CCCCCCC(=O)NCCCCC 1626a_100000209983_100011934241 [0,1,0,0,0,0|2,0,1]=4 3408 B14R0.145 C=CCCCCCC(=O)NCCCCC 240690a_100000209983_100011934241 [0,1,0,0,0,0|2,0,1]=4 3409 B14R0.145 C=CCCCCCC(=O)NCCCCC 527a_100000209983_100011934241 [0,1,0,0,0,0|2,0,1]=4 3410 B14R0.145 C=CCCCCCN(C)CCCCCC 2230a_106256046315_100000700193 [0,1,0,0,0,0|2,0,0]=3 3411 B14R0.145 C=CCCCCCN(C)CCCCCC 269982a_106256046315_100000700193 [0,1,0,0,0,0|2,0,0]=3 3412 B14R0.145 C=CCCCCCN(C)CCCCCO 2230a_100000722520_100000700193 [0,1,0,0,0,0|3,0,0]=4 3413 B14R0.145 C=CCCCCCN(C)CCCCCO 269982a_100000722520_100000700193 [0,1,0,0,0,0|3,0,0]=4 3414 B14R0.145 C=CCCCCN(C)CCCCCC=O 2230a_100012000471_100000139337 [0,1,0,0,0,0|1,0,2]=4 3415 B14R0.145 C=CCCCCN(C)CCCCCC=O 269982a_100012000471_100000139337 [0,1,0,0,0,0|1,0,2]=4 3416 B14R0.145 C=CCCCCN(C)CCCCCCC 2230a_100000228206_100011215482 [0,1,0,0,0,0|2,0,0]=3 3417 B14R0.145 C=CCCCCN(C)CCCCCCC 2230a_100012000471_100000210681 [0,1,0,0,0,0|2,0,0]=3 3418 B14R0.145 C=CCCCCN(C)CCCCCCC 269982a_100000228206_100011215482 [0,1,0,0,0,0|2,0,0]=3 3419 B14R0.145 C=CCCCCN(C)CCCCCCC 269982a_100012000471_100000210681 [0,1,0,0,0,0|2,0,0]=3 3420 B14R0.145 C=CCCCCN(C)CCCCCCF 2230a_100012000471_100015922095 [0,1,0,0,0,0|3,0,0]=4 3421 B14R0.145 C=CCCCCN(C)CCCCCCF 269982a_100012000471_100015922095 [0,1,0,0,0,0|3,0,0]=4 3422 B14R0.145 C=CCCCCN(C)CCCCCCO 2230a_100012000471_100000766143 [0,1,0,0,0,0|3,0,0]=4 3423 B14R0.145 C=CCCCCN(C)CCCCCCO 269982a_100012000471_100000766143 [0,1,0,0,0,0|3,0,0]=4 3424 B14R0.145 C=CCCCCN(C)CCOCCCC 2230a_100012000471_100000743108 [0,1,0,0,0,0|3,0,0]=4 3425 B14R0.145 C=CCCCCN(C)CCOCCCC 269982a_100012000471_100000743108 [0,1,0,0,0,0|3,0,0]=4 3426 B14R0.145 C=CCCCCNC(=O)CCCCCC 11a_100000703577_100102632555 [0,1,0,0,0,0|2,0,1]=4 3427 B14R0.145 C=CCCCCNC(=O)CCCCCC 1626a_100000703577_100102632555 [0,1,0,0,0,0|2,0,1]=4 3428 B14R0.145 C=CCCCCNC(=O)CCCCCC 240690a_100000703577_100102632555 [0,1,0,0,0,0|2,0,1]=4 3429 B14R0.145 C=CCCCCNC(=O)CCCCCC 527a_100000703577_100102632555 [0,1,0,0,0,0|2,0,1]=4 3430 B14R0.145 C=CCCCCNC(C)CCCCCC 2230a_100000210919_100011215482 [0,1,0,0,0,0|2,0,0]=3 3431 B14R0.145 C=CCCCCNC(C)CCCCCC 2230a_100000703577_100011215978 [0,1,0,0,0,0|2,0,0]=3 3432 B14R0.145 C=CCCCCNC(C)CCCCCC 270004a_100000703577_100000210826 [0,1,0,0,0,0|2,0,0]=3 3433 B14R0.145 C=CCCCCNC(C)CCCCCC 34a_100000210919_100011215482 [0,1,0,0,0,0|2,0,0]=3 3434 B14R0.145 C=CCCCCNC(C)CCCCCC 34a_100000703577_100011215978 [0,1,0,0,0,0|2,0,0]=3 3435 B14R0.145 C=CCCCCOC(C)CCCCCC 34a_100000210265_100011215482 [0,1,0,0,0,0|2,0,0]=3 3436 B14R0.145 C=CCCCCOC(C)CCCCCC 34a_100000766645_100011215978 [0,1,0,0,0,0|2,0,0]=3 3437 B14R0.145 C=CCCCCOC(C)CCCCCC 7a_100000210265_100011215482 [0,1,0,0,0,0|2,0,0]=3 3438 B14R0.145 C=CCCCCOC(C)CCCCCC 7a_100000766645_100011215978 [0,1,0,0,0,0|2,0,0]=3 3439 B14R0.145 C=CCCCCOC(C)COCCCC 34a_100011217071_100011215482 [0,1,0,0,0,0|3,0,0]=4 3440 B14R0.145 C=CCCCCOC(C)COCCCC 7a_100011217071_100011215482 [0,1,0,0,0,0|3,0,0]=4 3441 B14R0.145 C=CCCCCSC(C)CCCCCC 62a_100011215482_100011215978 [0,1,0,0,0,0|2,0,0]=3 3442 B14R0.145 C=CCCCCSC(C)CCCCCC 62a_100011215978_100011215482 [0,1,0,0,0,0|2,0,0]=3 3443 B14R0.145 C=CCCCNC(=O)CCCCCCC 11a_100000700776_100000211969 [0,1,0,0,0,0|2,0,1]=4 3444 B14R0.145 C=CCCCNC(=O)CCCCCCC 1626a_100000700776_100000211969 [0,1,0,0,0,0|2,0,1]=4 3445 B14R0.145 C=CCCCNC(=O)CCCCCCC 240690a_100000700776_100000211969 [0,1,0,0,0,0|2,0,1]=4 3446 B14R0.145 C=CCCCNC(=O)CCCCCCC 527a_100000700776_100000211969 [0,1,0,0,0,0|2,0,1]=4 3447 B14R0.145 C=CCCCNC(C)CCCCCCC 2230a_100000700776_200011218727 [0,1,0,0,0,0|2,0,0]=3 3448 B14R0.145 C=CCCCNC(C)CCCCCCC 270004a_100000700776_100000210596 [0,1,0,0,0,0|2,0,0]=3 3449 B14R0.145 C=CCCCNC(C)CCCCCCC 34a_100000700776_200011218727 [0,1,0,0,0,0|2,0,0]=3 3450 B14R0.145 C=CCCCOC(C)CCCCCCC 34a_100000758997_200011218727 [0,1,0,0,0,0|2,0,0]=3 3451 B14R0.145 C=CCCCOC(C)CCCCCCC 34a_200011215852_100000757094 [0,1,0,0,0,0|2,0,0]=3 3452 B14R0.145 C=CCCCOC(C)CCCCCCC 7a_100000758997_200011218727 [0,1,0,0,0,0|2,0,0]=3 3453 B14R0.145 C=CCCCOC(C)CCCCCCC 7a_200011215852_100000757094 [0,1,0,0,0,0|2,0,0]=3 3454 B14R0.145 C=CCCCSC(C)CCCCCCC 62a_100011713584_200011218727 [0,1,0,0,0,0|2,0,0]=3 3455 B14R0.145 C=CCCCSC(C)CCCCCCC 62a_200011218727_100000757094 [0,1,0,0,0,0|2,0,0]=3 3456 B14R0.145 C=CCCOCCC(C)CCCCCC 34a_200011024964_100000754431 [0,1,0,0,0,0|2,0,0]=3 3457 B14R0.145 C=CCCOCCC(C)CCCCCC 7a_200011024964_100000754431 [0,1,0,0,0,0|2,0,0]=3 3458 B14R0.145 C=CCOCCC(=O)CCCCCCC 1458a_200011217002_100000210614 [0,1,0,0,0,0|2,0,1]=4 3459 B14R0.145 C=CCOCCOC(C)CCCCCC 34a_100000037705_100011215978 [0,1,0,0,0,0|3,0,0]=4 3460 B14R0.145 C=CCOCCOC(C)CCCCCC 7a_100000037705_100011215978 [0,1,0,0,0,0|3,0,0]=4 3461 B14R0.145 C=COCCCNC(C)CCCCCC 2230a_100000210767_100011215978 [0,1,0,0,0,0|3,0,0]=4 3462 B14R0.145 C=COCCCNC(C)CCCCCC 270004a_100000210767_100000210826 [0,1,0,0,0,0|3,0,0]=4 3463 B14R0.145 C=COCCCNC(C)CCCCCC 34a_100000210767_100011215978 [0,1,0,0,0,0|3,0,0]=4 3464 B14R0.145 C=COCCOC(C)CCCCCCC 34a_100000033082_200011218727 [0,1,0,0,0,0|3,0,0]=4 3465 B14R0.145 C=COCCOC(C)CCCCCCC 34a_200011215852_100000039644 [0,1,0,0,0,0|3,0,0]=4 3466 B14R0.145 C=COCCOC(C)CCCCCCC 7a_200011215852_100000039644 [0,1,0,0,0,0|3,0,0]=4 3467 B14R0.145 C=COCCSC(C)CCCCCCC 62a_100000039644_200011218727 [0,1,0,0,0,0|3,0,0]=4 3468 B14R0.145 C=COCCSC(C)CCCCCCC 62a_200011218727_100000039644 [0,1,0,0,0,0|3,0,0]=4 3469 B14R0.145 CC=CCCCOC(C)CCCCCC 34a_100020645299_100011215978 [0,1,0,0,0,0|2,0,1]=4 3470 B14R0.145 CC=CCOCCC(C)CCCCCC 34a_200011024964_100000070051 [0,1,0,0,0,0|2,0,1]=4 3471 B14R0.145 CC=CCOCCC(C)CCCCCC 7a_200011024964_100000070051 [0,1,0,0,0,0|2,0,1]=4 3472 B14R0.145 CCCCCCC(=O)CCCCCC#N 1458a_100102632555_100009813376 [0,1,0,0,0,0|1,0,2]=4 3473 B14R0.145 CCCCCCC(=O)CCCCCCF 1458a_100102632555_100015922095 [0,1,0,0,0,0|1,0,2]=4 3474 B14R0.145 CCCCCCC(=O)CCCCCCO 1458a_100011996774_100000210757 [0,1,0,0,0,0|0,0,3]=4 3475 B14R0.145 CCCCCCC(=O)CCCCCCO 1458a_100102632555_100000766143 [0,1,0,0,0,0|0,0,3]=4 3476 B14R0.145 CCCCCCC(=O)CCCCCOC 1458a_100011935119_100000210757 [0,1,0,0,0,0|2,0,1]=4 3477 B14R0.145 CCCCCCC(C)CCOCCC#N 7a_200011024964_100000184422 [0,1,0,0,0,0|2,0,1]=4 3478 B14R0.145 CCCCCCC(C)CCOCCCC 34a_200011024964_100000210210 [0,1,0,0,0,0|2,0,1]=4 3479 B14R0.145 CCCCCCC(C)CCOCCCC 7a_200011024964_100000210211 [0,1,0,0,0,0|2,0,1]=4 3480 B14R0.145 CCCCCCC(C)CCOCCCF 34a_200011024964_100011934791 [0,1,0,0,0,0|2,0,1]=4 3481 B14R0.145 CCCCCCC(C)CCOCCCF 7a_200011024964_100011934791 [0,1,0,0,0,0|2,0,1]=4 3482 B14R0.145 CCCCCCC(C)CCOCCCO 34a_200011024964_100000230001 [0,1,0,0,0,0|1,0,2]=4 3483 B14R0.145 CCCCCCC(C)CCOCCCO 7a_200011024964_100011215043 [0,1,0,0,0,0|1,0,2]=4 3484 B14R0.145 CCCCCCC(C)CCOCCOC 34a_200011024964_100011201679 [0,1,0,0,0,0|3,0,0]=4 3485 B14R0.145 CCCCCCC(C)CCOCCOC 7a_200011024964_100000233755 [0,1,0,0,0,0|3,0,0]=4 3486 B14R0.145 CCCCCCC(C)CCOCCSC 34a_200011024964_100000212216 [0,1,0,0,0,0|3,0,0]=4 3487 B14R0.145 CCCCCCC(C)CCOCCSC 7a_200011024964_100000212216 [0,1,0,0,0,0|3,0,0]=4 3488 B14R0.145 CCCCCCC(C)NCCCCC#N 2230a_100000210919_100000211819 [0,1,0,0,0,0|2,0,1]=4 3489 B14R0.145 CCCCCCC(C)NCCCCC#N 270004a_100000751965_100000210826 [0,1,0,0,0,0|2,0,1]=4 3490 B14R0.145 CCCCCCC(C)NCCCCC=O 2230a_100000210919_100000139335 [0,1,0,0,0,0|1,0,0]=2 3491 B14R0.145 CCCCCCC(C)NCCCCCF 2230a_100000210919_100000729378 [0,1,0,0,0,0|2,0,1]=4 3492 B14R0.145 CCCCCCC(C)NCCCCCF 34a_100000210919_100000729378 [0,1,0,0,0,0|2,0,1]=4 3493 B14R0.145 CCCCCCC(C)NCCCCCO 2230a_100000210919_100000746330 [0,1,0,0,0,0|1,0,2]=4 3494 B14R0.145 CCCCCCC(C)NCCCCCO 2230a_100000762737_100011215978 [0,1,0,0,0,0|1,0,2]=4 3495 B14R0.145 CCCCCCC(C)NCCCCCO 270004a_100000762737_100000210826 [0,1,0,0,0,0|1,0,2]=4 3496 B14R0.145 CCCCCCC(C)NCCCCCO 34a_100000210919_100000746330 [0,1,0,0,0,0|1,0,2]=4 3497 B14R0.145 CCCCCCC(C)NCCCCCO 34a_100000762737_100011215978 [0,1,0,0,0,0|1,0,2]=4 3498 B14R0.145 CCCCCCC(C)NCCCCOC 2230a_100000210919_100000730899 [0,1,0,0,0,0|3,0,0]=4 3499 B14R0.145 CCCCCCC(C)NCCCCOC 34a_100000210919_100000755781 [0,1,0,0,0,0|3,0,0]=4 3500 B14R0.145 CCCCCCC(C)OCCCCC#N 7a_100000210265_100000211819 [0,1,0,0,0,0|2,0,1]=4 3501 B14R0.145 CCCCCCC(C)OCCCCC=O 7a_100000210265_100000139335 [0,1,0,0,0,0|1,0,0]=2 3502 B14R0.145 CCCCCCC(C)OCCCCCBr 34a_100000746331_100011215978 [0,1,0,0,0,0|2,0,1]=4 3503 B14R0.145 CCCCCCC(C)OCCCCCBr 7a_100000746331_100011215978 [0,1,0,0,0,0|2,0,1]=4 3504 B14R0.145 CCCCCCC(C)OCCCCCCl 34a_100000746330_100011215978 [0,1,0,0,0,0|2,0,1]=4 3505 B14R0.145 CCCCCCC(C)OCCCCCCl 7a_100000746330_100011215978 [0,1,0,0,0,0|2,0,1]=4 3506 B14R0.145 CCCCCCC(C)OCCCCCF 34a_100000210265_100000729378 [0,1,0,0,0,0|2,0,1]=4 3507 B14R0.145 CCCCCCC(C)OCCCCCF 7a_100000210265_100000729378 [0,1,0,0,0,0|2,0,1]=4 3508 B14R0.145 CCCCCCC(C)OCCCCCI 34a_200012148887_100011215978 [0,1,0,0,0,0|2,0,1]=4 3509 B14R0.145 CCCCCCC(C)OCCCCCI 7a_200012148887_100011215978 [0,1,0,0,0,0|2,0,1]=4 3510 B14R0.145 CCCCCCC(C)OCCCCCN 34a_100000762737_100011215978 [0,1,0,0,0,0|2,0,1]=4 3511 B14R0.145 CCCCCCC(C)OCCCCCO 34a_100000210265_100000746330 [0,1,0,0,0,0|1,0,2]=4 3512 B14R0.145 CCCCCCC(C)OCCCCCO 7a_100000210265_100000746330 [0,1,0,0,0,0|1,0,2]=4 3513 B14R0.145 CCCCCCC(C)OCCCCOC 34a_100000210265_100000755781 [0,1,0,0,0,0|3,0,0]=4 3514 B14R0.145 CCCCCCC(C)OCCCCOC 34a_100000740925_100011215978 [0,1,0,0,0,0|3,0,0]=4 3515 B14R0.145 CCCCCCC(C)OCCCCOC 7a_100000210265_100000730899 [0,1,0,0,0,0|3,0,0]=4 3516 B14R0.145 CCCCCCC(C)OCCCCSC 34a_100011217163_100011215978 [0,1,0,0,0,0|3,0,0]=4 3517 B14R0.145 CCCCCCC(C)OCCCCSC 7a_100011217163_100011215978 [0,1,0,0,0,0|3,0,0]=4 3518 B14R0.145 CCCCCCC(C)SCCCCC#N 62a_100011215978_100000211819 [0,1,0,0,0,0|2,0,1]=4 3519 B14R0.145 CCCCCCC(C)SCCCCC#N 62a_100011219923_100011215978 [0,1,0,0,0,0|2,0,1]=4 3520 B14R0.145 CCCCCCC(C)SCCCCC=O 62a_100000139335_100011215978 [0,1,0,0,0,0|1,0,0]=2 3521 B14R0.145 CCCCCCC(C)SCCCCC=O 62a_100011215978_100000139335 [0,1,0,0,0,0|1,0,0]=2 3522 B14R0.145 CCCCCCC(C)SCCCCCF 62a_100000729378_100011215978 [0,1,0,0,0,0|2,0,1]=4 3523 B14R0.145 CCCCCCC(C)SCCCCCF 62a_100011215978_100000729378 [0,1,0,0,0,0|2,0,1]=4 3524 B14R0.145 CCCCCCC(C)SCCCCCO 62a_100000746330_100011215978 [0,1,0,0,0,0|1,0,2]=4 3525 B14R0.145 CCCCCCC(C)SCCCCCO 62a_100011215978_100000746330 [0,1,0,0,0,0|1,0,2]=4 3526 B14R0.145 CCCCCCC(C)SCCCCOC 62a_100000730899_100011215978 [0,1,0,0,0,0|3,0,0]=4 3527 B14R0.145 CCCCCCC(C)SCCCCOC 62a_100011215978_100000730899 [0,1,0,0,0,0|3,0,0]=4 3528 B14R0.145 CCCCCCCC(=O)CCCCC#N 1458a_100000211969_100000211819 [0,1,0,0,0,0|1,0,2]=4 3529 B14R0.145 CCCCCCCC(=O)CCCCCC 1458a_100000211969_100000210757 [0,1,0,0,0,0|1,0,2]=4 3530 B14R0.145 CCCCCCCC(=O)CCCCCC 1458a_100102632555_100000210614 [0,1,0,0,0,0|1,0,2]=4 3531 B14R0.145 CCCCCCCC(=O)CCCCCF 1458a_100000211969_100000729378 [0,1,0,0,0,0|1,0,2]=4 3532 B14R0.145 CCCCCCCC(=O)CCCCCO 1458a_100000211969_100000746330 [0,1,0,0,0,0|0,0,3]=4 3533 B14R0.145 CCCCCCCC(=O)CCCCCO 1458a_100102619762_100000210614 [0,1,0,0,0,0|0,0,3]=4 3534 B14R0.145 CCCCCCCC(=O)CCCCOC 1458a_100000211969_100000755781 [0,1,0,0,0,0|2,0,1]=4 3535 B14R0.145 CCCCCCCC(=O)OCSCC=O 62a_200015260668_100009852258 [0,1,0,0,0,0|2,0,1]=4 3536 B14R0.145 CCCCCCCC(C)NCCCCC 2230a_100000209983_200011218727 [0,1,0,0,0,0|2,0,1]=4 3537 B14R0.145 CCCCCCCC(C)NCCCCC 270004a_100000209983_100000210596 [0,1,0,0,0,0|2,0,1]=4 3538 B14R0.145 CCCCCCCC(C)NCCCCO 2230a_100000750430_200011218727 [0,1,0,0,0,0|1,0,2]=4 3539 B14R0.145 CCCCCCCC(C)NCCCCO 270004a_100000750430_100000210596 [0,1,0,0,0,0|1,0,2]=4 3540 B14R0.145 CCCCCCCC(C)NCCCCO 34a_100000750430_200011218727 [0,1,0,0,0,0|1,0,2]=4 3541 B14R0.145 CCCCCCCC(C)NCCCOC 270004a_100150723488_100000210596 [0,1,0,0,0,0|3,0,0]=4 3542 B14R0.145 CCCCCCCC(C)NCCCOC 34a_100150723488_200011218727 [0,1,0,0,0,0|3,0,0]=4 3543 B14R0.145 CCCCCCCC(C)NCCCSC 2230a_100000749238_200011218727 [0,1,0,0,0,0|3,0,0]=4 3544 B14R0.145 CCCCCCCC(C)NCCCSC 270004a_100000749238_100000210596 [0,1,0,0,0,0|3,0,0]=4 3545 B14R0.145 CCCCCCCC(C)OCCCC#N 7a_200011215852_100000687738 [0,1,0,0,0,0|2,0,1]=4 3546 B14R0.145 CCCCCCCC(C)OCCCC=O 7a_200011215852_200011292268 [0,1,0,0,0,0|1,0,0]=2 3547 B14R0.145 CCCCCCCC(C)OCCCCBr 34a_100011216708_200011218727 [0,1,0,0,0,0|2,0,1]=4 3548 B14R0.145 CCCCCCCC(C)OCCCCC 34a_100000210253_200011218727 [0,1,0,0,0,0|2,0,1]=4 3549 B14R0.145 CCCCCCCC(C)OCCCCC 34a_200011215852_100000718602 [0,1,0,0,0,0|2,0,1]=4 3550 B14R0.145 CCCCCCCC(C)OCCCCC 7a_100000210253_200011218727 [0,1,0,0,0,0|2,0,1]=4 3551 B14R0.145 CCCCCCCC(C)OCCCCC 7a_200011215852_100000210326 [0,1,0,0,0,0|2,0,1]=4 3552 B14R0.145 CCCCCCCC(C)OCCCCCl 34a_100000210776_200011218727 [0,1,0,0,0,0|2,0,1]=4 3553 B14R0.145 CCCCCCCC(C)OCCCCCl 7a_100000210776_200011218727 [0,1,0,0,0,0|2,0,1]=4 3554 B14R0.145 CCCCCCCC(C)OCCCCF 34a_100011995726_200011218727 [0,1,0,0,0,0|2,0,1]=4 3555 B14R0.145 CCCCCCCC(C)OCCCCF 34a_200011215852_100000729493 [0,1,0,0,0,0|2,0,1]=4 3556 B14R0.145 CCCCCCCC(C)OCCCCF 7a_100011995726_200011218727 [0,1,0,0,0,0|2,0,1]=4 3557 B14R0.145 CCCCCCCC(C)OCCCCF 7a_200011215852_100000729493 [0,1,0,0,0,0|2,0,1]=4 3558 B14R0.145 CCCCCCCC(C)OCCCCI 34a_200012148704_200011218727 [0,1,0,0,0,0|2,0,1]=4 3559 B14R0.145 CCCCCCCC(C)OCCCCN 34a_100000750430_200011218727 [0,1,0,0,0,0|2,0,1]=4 3560 B14R0.145 CCCCCCCC(C)OCCCCO 34a_200011215852_100011216708 [0,1,0,0,0,0|1,0,2]=4 3561 B14R0.145 CCCCCCCC(C)OCCCCO 7a_200011215852_100000210776 [0,1,0,0,0,0|1,0,2]=4 3562 B14R0.145 CCCCCCCC(C)OCCCNC 34a_100000213112_200011218727 [0,1,0,0,0,0|3,0,0]=4 3563 B14R0.145 CCCCCCCC(C)OCCCOC 34a_100000740835_200011218727 [0,1,0,0,0,0|3,0,0]=4 3564 B14R0.145 CCCCCCCC(C)OCCCOC 34a_200011215852_100000740836 [0,1,0,0,0,0|3,0,0]=4 3565 B14R0.145 CCCCCCCC(C)OCCCOC 7a_200011215852_100000740836 [0,1,0,0,0,0|3,0,0]=4 3566 B14R0.145 CCCCCCCC(C)OCCCSC 34a_100000690336_200011218727 [0,1,0,0,0,0|3,0,0]=4 3567 B14R0.145 CCCCCCCC(C)OCCCSC 7a_100000690336_200011218727 [0,1,0,0,0,0|3,0,0]=4 3568 B14R0.145 CCCCCCCC(C)SCCCC#N 62a_100000687738_200011218727 [0,1,0,0,0,0|2,0,1]=4 3569 B14R0.145 CCCCCCCC(C)SCCCC#N 62a_200011218727_100000687738 [0,1,0,0,0,0|2,0,1]=4 3570 B14R0.145 CCCCCCCC(C)SCCCC=O 62a_200011218727_200011292268 [0,1,0,0,0,0|1,0,0]=2 3571 B14R0.145 CCCCCCCC(C)SCCCC=O 62a_200011292268_200011218727 [0,1,0,0,0,0|1,0,0]=2 3572 B14R0.145 CCCCCCCC(C)SCCCCC 62a_100000210326_200011218727 [0,1,0,0,0,0|2,0,1]=4 3573 B14R0.145 CCCCCCCC(C)SCCCCC 62a_200011218727_100000210326 [0,1,0,0,0,0|2,0,1]=4 3574 B14R0.145 CCCCCCCC(C)SCCCCF 62a_100000729493_200011218727 [0,1,0,0,0,0|2,0,1]=4 3575 B14R0.145 CCCCCCCC(C)SCCCCF 62a_200011218727_100000729493 [0,1,0,0,0,0|2,0,1]=4 3576 B14R0.145 CCCCCCCC(C)SCCCCO 62a_100000210776_200011218727 [0,1,0,0,0,0|1,0,2]=4 3577 B14R0.145 CCCCCCCC(C)SCCCCO 62a_200011218727_100000210776 [0,1,0,0,0,0|1,0,2]=4 3578 B14R0.145 CCCCCCCC(C)SCCCOC 62a_100000709357_200011218727 [0,1,0,0,0,0|3,0,0]=4 3579 B14R0.145 CCCCCCCC(C)SCCCOC 62a_200011218727_100000709357 [0,1,0,0,0,0|3,0,0]=4 3580 B14R0.145 CCCCCCCN(C)CCCCC#N 2230a_100000228206_100000211819 [0,1,0,0,0,0|2,0,1]=4 3581 B14R0.145 CCCCCCCN(C)CCCCC#N 269982a_100000228206_100011219923 [0,1,0,0,0,0|2,0,1]=4 3582 B14R0.145 CCCCCCCN(C)CCCCC=O 2230a_100000228206_100000139335 [0,1,0,0,0,0|1,0,0]=2 3583 B14R0.145 CCCCCCCN(C)CCCCC=O 269982a_100000228206_100000139335 [0,1,0,0,0,0|1,0,0]=2 3584 B14R0.145 CCCCCCCN(C)CCCCCC 2230a_100000228206_100000210314 [0,1,0,0,0,0|2,0,1]=4 3585 B14R0.145 CCCCCCCN(C)CCCCCC 2230a_106256046315_100000210681 [0,1,0,0,0,0|2,0,1]=4 3586 B14R0.145 CCCCCCCN(C)CCCCCC 269982a_100000228206_100000210757 [0,1,0,0,0,0|2,0,1]=4 3587 B14R0.145 CCCCCCCN(C)CCCCCC 269982a_106256046315_100000210681 [0,1,0,0,0,0|2,0,1]=4 3588 B14R0.145 CCCCCCCN(C)CCCCCF 2230a_100000228206_100000729378 [0,1,0,0,0,0|2,0,1]=4 3589 B14R0.145 CCCCCCCN(C)CCCCCF 269982a_100000228206_100000729378 [0,1,0,0,0,0|2,0,1]=4 3590 B14R0.145 CCCCCCCN(C)CCCCCO 2230a_100000228206_100000746330 [0,1,0,0,0,0|1,0,2]=4 3591 B14R0.145 CCCCCCCN(C)CCCCCO 2230a_100000722520_100000210681 [0,1,0,0,0,0|1,0,2]=4 3592 B14R0.145 CCCCCCCN(C)CCCCCO 269982a_100000228206_100000746330 [0,1,0,0,0,0|1,0,2]=4 3593 B14R0.145 CCCCCCCN(C)CCCCCO 269982a_100000722520_100000210681 [0,1,0,0,0,0|1,0,2]=4 3594 B14R0.145 CCCCCCCN(C)CCCCOC 2230a_100000228206_100000730899 [0,1,0,0,0,0|3,0,0]=4 3595 B14R0.145 CCCCCCCN(C)CCCCOC 269982a_100000228206_100000730899 [0,1,0,0,0,0|3,0,0]=4 3596 B14R0.145 CCCCCCN(C)CCCCCC#N 2230a_106256046315_100009813376 [0,1,0,0,0,0|2,0,1]=4 3597 B14R0.145 CCCCCCN(C)CCCCCC#N 269982a_106256046315_100009813376 [0,1,0,0,0,0|2,0,1]=4 3598 B14R0.145 CCCCCCN(C)CCCCCC=O 2230a_106256046315_100000139337 [0,1,0,0,0,0|1,0,0]=2 3599 B14R0.145 CCCCCCN(C)CCCCCC=O 269982a_106256046315_100000139337 [0,1,0,0,0,0|1,0,0]=2 3600 B14R0.145 CCCCCCN(C)CCCCCCF 2230a_106256046315_100015922095 [0,1,0,0,0,0|2,0,1]=4 3601 B14R0.145 CCCCCCN(C)CCCCCCF 269982a_106256046315_100015922095 [0,1,0,0,0,0|2,0,1]=4 3602 B14R0.145 CCCCCCN(C)CCCCCCO 2230a_106256046315_100000766143 [0,1,0,0,0,0|1,0,2]=4 3603 B14R0.145 CCCCCCN(C)CCCCCCO 269982a_106256046315_100000766143 [0,1,0,0,0,0|1,0,2]=4 3604 B14R0.145 CCCCCCNC(C)CCCCCC 2230a_100000210581_100011215978 [0,1,0,0,0,0|2,0,1]=4 3605 B14R0.145 CCCCCCNC(C)CCCCCC 2230a_100000210919_100000210314 [0,1,0,0,0,0|2,0,1]=4 3606 B14R0.145 CCCCCCNC(C)CCCCCC 270004a_100000210581_100000210826 [0,1,0,0,0,0|2,0,1]=4 3607 B14R0.145 CCCCCCNC(C)CCCCCC 34a_100000210919_100000210314 [0,1,0,0,0,0|2,0,1]=4 3608 B14R0.145 CCCCCCOC(C)CCCCCC 34a_100000210259_100011215978 [0,1,0,0,0,0|2,0,1]=4 3609 B14R0.145 CCCCCCOC(C)CCCCCC 34a_100000210265_100000210314 [0,1,0,0,0,0|2,0,1]=4 3610 B14R0.145 CCCCCCOC(C)CCCCCC 7a_100000210259_100011215978 [0,1,0,0,0,0|2,0,1]=4 3611 B14R0.145 CCCCCCOC(C)CCCCCC 7a_100000210265_100000210314 [0,1,0,0,0,0|2,0,1]=4 3612 B14R0.145 CCCCCCSC(C)CCCCCC 62a_100000210314_100011215978 [0,1,0,0,0,0|2,0,1]=4 3613 B14R0.145 CCCCCCSC(C)CCCCCC 62a_100011215978_100000210757 [0,1,0,0,0,0|2,0,1]=4 3614 B14R0.145 CCCCCNC(=O)CSCCCC=O 62a_100000230301_200011292268 [0,1,0,0,0,0|2,0,1]=4 3615 B14R0.145 CCCCCNC(=O)CSCCCC=O 62a_200011292268_100000230301 [0,1,0,0,0,0|2,0,1]=4 3616 B14R0.145 CCCCOCC(C)OCCCCC=O 7a_100011217071_100000139335 [0,1,0,0,0,0|2,0,0]=3 3617 B14R0.145 CN(CCCCCC=O)CCOCCO 2230a_100000228057_100000139337 [0,1,0,0,0,0|3,0,0]=4 3618 B14R0.145 CN(CCCCCC=O)CCOCCO 269982a_100000228057_100000139337 [0,1,0,0,0,0|3,0,0]=4 3619 B14R0.145 CN(CCCCCO)CCCCCC=O 2230a_100000722520_100000139337 [0,1,0,0,0,0|2,0,0]=3 3620 B14R0.145 CN(CCCCCO)CCCCCC=O 269982a_100000722520_100000139337 [0,1,0,0,0,0|2,0,0]=3 3621 B14R0.179 C#CCCCC(=O)CCCCCCCC 1458a_100000210188_100000731252 [0,1,0,0,0,0|1,0,2]=4 3622 B14R0.179 C#CCCCC(=O)CCCCCCCC 1458a_100000690238_100000210759 [0,1,0,0,0,0|1,0,2]=4 3623 B14R0.179 C#CCCCCCCC(=O)CCCCC 1458a_100000034748_100000210326 [0,1,0,0,0,0|1,0,2]=4 3624 B14R0.179 C#CCCCCCCC(=O)CCCCC 1458a_100000212188_100012276617 [0,1,0,0,0,0|1,0,2]=4 3625 B14R0.179 C#CCCCCCCN(C)CCCCC 2230a_100000223495_100012276617 [0,1,0,0,0,0|2,0,1]=4 3626 B14R0.179 C#CCCCCCCN(C)CCCCC 269982a_100000223495_100012276617 [0,1,0,0,0,0|2,0,1]=4 3627 B14R0.179 C#CCCCCCNC(C)CCCCC 2230a_100000211957_100012094781 [0,1,0,0,0,0|2,0,1]=4 3628 B14R0.179 C#CCCCCCOC(C)CCCCC 34a_100000766912_200011218191 [0,1,0,0,0,0|2,0,1]=4 3629 B14R0.179 C#CCCCCCOC(C)CCCCC 34a_100011215632_100012094781 [0,1,0,0,0,0|2,0,1]=4 3630 B14R0.179 C#CCCCCCOC(C)CCCCC 7a_100000766912_200011218191 [0,1,0,0,0,0|2,0,1]=4 3631 B14R0.179 C#CCCCCCOC(C)CCCCC 7a_100011215632_100012094781 [0,1,0,0,0,0|2,0,1]=4 3632 B14R0.179 C#CCCCCCSC(C)CCCCC 62a_100012094781_200011218191 [0,1,0,0,0,0|2,0,1]=4 3633 B14R0.179 C#CCCCCCSC(C)CCCCC 62a_200011218191_100012094781 [0,1,0,0,0,0|2,0,1]=4 3634 B14R0.179 C#CCCCN(C)CCCCCCCC 2230a_100000207567_100000731252 [0,1,0,0,0,0|2,0,1]=4 3635 B14R0.179 C#CCCCN(C)CCCCCCCC 269982a_100000207567_100011215417 [0,1,0,0,0,0|2,0,1]=4 3636 B14R0.179 C#CCCOC(C)CCCCCCCC 34a_100000210740_100000688953 [0,1,0,0,0,0|2,0,1]=4 3637 B14R0.179 C#CCCOC(C)CCCCCCCC 7a_100000210740_100000688953 [0,1,0,0,0,0|2,0,1]=4 3638 B14R0.179 C#CCOCC(C)CCCCCCCC 34a_200012125181_100000184674 [0,1,0,0,0,0|2,0,1]=4 3639 B14R0.179 C#CCOCC(C)CCCCCCCC 7a_200012125181_100000038162 [0,1,0,0,0,0|2,0,1]=4 3640 B14R0.179 C/C=C/COC(C)CCCCCCCC 34a_100000210740_100102629194 [0,1,0,0,0,0|2,0,1]=4 3641 B14R0.179 C/C=C/COC(C)CCCCCCCC 7a_100000210740_100102629194 [0,1,0,0,0,0|2,0,1]=4 3642 B14R0.179 C=CCCCC(=O)CCCCCCCC 1458a_100000210188_100000757094 [0,1,0,0,0,0|1,0,1]=3 3643 B14R0.179 C=CCCCC(=O)CCCCCCCC 1458a_100000766728_100000210759 [0,1,0,0,0,0|1,0,1]=3 3644 B14R0.179 C=CCCCC(=O)CCCCCCCO 1458a_100000766728_100000760002 [0,1,0,0,0,0|2,0,1]=4 3645 B14R0.179 C=CCCCC(=O)CCCCCCCO 1458a_100011219782_100000757094 [0,1,0,0,0,0|2,0,1]=4 3646 B14R0.179 C=CCCCC(=O)CCCCCCOC 1458a_100000766728_100011998445 [0,1,0,0,0,0|2,0,1]=4 3647 B14R0.179 C=CCCCC(=O)NCCCCCCC 11a_100000229938_100000766728 [0,1,0,0,0,0|2,0,1]=4 3648 B14R0.179 C=CCCCC(=O)NCCCCCCC 1626a_100000229938_100000766728 [0,1,0,0,0,0|2,0,1]=4 3649 B14R0.179 C=CCCCC(=O)NCCCCCCC 240690a_100000229938_100000766728 [0,1,0,0,0,0|2,0,1]=4 3650 B14R0.179 C=CCCCC(=O)NCCCCCCC 527a_100000229938_100000766728 [0,1,0,0,0,0|2,0,1]=4 3651 B14R0.179 C=CCCCCCCC(=O)CCCCC 1458a_100000212188_100011215473 [0,1,0,0,0,0|1,0,1]=3 3652 B14R0.179 C=CCCCCCCC(=O)CCCCC 1458a_100011809334_100000210326 [0,1,0,0,0,0|1,0,1]=3 3653 B14R0.179 C=CCCCCCCC(=O)CCCCF 1458a_100011809334_100000729493 [0,1,0,0,0,0|2,0,1]=4 3654 B14R0.179 C=CCCCCCCC(=O)CCCCO 1458a_100000695505_100011215473 [0,1,0,0,0,0|2,0,1]=4 3655 B14R0.179 C=CCCCCCCC(=O)CCCCO 1458a_100011809334_100000210776 [0,1,0,0,0,0|2,0,1]=4 3656 B14R0.179 C=CCCCCCCC(=O)CCCOC 1458a_100000741012_100011215473 [0,1,0,0,0,0|2,0,1]=4 3657 B14R0.179 C=CCCCCCCC(=O)CCCOC 1458a_100011809334_100000740836 [0,1,0,0,0,0|2,0,1]=4 3658 B14R0.179 C=CCCCCCCC(=O)CCCSC 1458a_100000173376_100011215473 [0,1,0,0,0,0|2,0,1]=4 3659 B14R0.179 C=CCCCCCCC(=O)CCOCC 1458a_100000749530_100011215473 [0,1,0,0,0,0|2,0,1]=4 3660 B14R0.179 C=CCCCCCCC(=O)CCOCC 1458a_100011809334_100011215890 [0,1,0,0,0,0|2,0,1]=4 3661 B14R0.179 C=CCCCCCCC(=O)CCSCC 1458a_100000230768_100011215473 [0,1,0,0,0,0|2,0,1]=4 3662 B14R0.179 C=CCCCCCCC(=O)CCSCC 1458a_100011809334_100000757381 [0,1,0,0,0,0|2,0,1]=4 3663 B14R0.179 C=CCCCCCCC(=O)COCCC 1458a_100000745993_100011215473 [0,1,0,0,0,0|2,0,1]=4 3664 B14R0.179 C=CCCCCCCC(=O)CSCCC 1458a_100000217233_100011215473 [0,1,0,0,0,0|2,0,1]=4 3665 B14R0.179 C=CCCCCCCC(=O)NCCCC 11a_100000102301_100011809334 [0,1,0,0,0,0|2,0,1]=4 3666 B14R0.179 C=CCCCCCCC(=O)NCCCC 1626a_100000102301_100011809334 [0,1,0,0,0,0|2,0,1]=4 3667 B14R0.179 C=CCCCCCCC(=O)NCCCC 240690a_100000102301_100011809334 [0,1,0,0,0,0|2,0,1]=4 3668 B14R0.179 C=CCCCCCCC(=O)NCCCC 527a_100000102301_100011809334 [0,1,0,0,0,0|2,0,1]=4 3669 B14R0.179 C=CCCCCCCN(C)CCCCC 2230a_100000223495_100011215473 [0,1,0,0,0,0|2,0,0]=3 3670 B14R0.179 C=CCCCCCCN(C)CCCCC 269982a_100000223495_100011215473 [0,1,0,0,0,0|2,0,0]=3 3671 B14R0.179 C=CCCCCCCN(C)CCCCO 2230a_100000717598_100011215473 [0,1,0,0,0,0|3,0,0]=4 3672 B14R0.179 C=CCCCCCCN(C)CCCCO 269982a_100000717598_100011215473 [0,1,0,0,0,0|3,0,0]=4 3673 B14R0.179 C=CCCCCCCN(C)CCCOC 2230a_100000224831_100011215473 [0,1,0,0,0,0|3,0,0]=4 3674 B14R0.179 C=CCCCCCCN(C)CCCOC 269982a_100000224831_100011215473 [0,1,0,0,0,0|3,0,0]=4 3675 B14R0.179 C=CCCCCCNC(C)CCCCC 2230a_100000211957_100000700193 [0,1,0,0,0,0|2,0,0]=3 3676 B14R0.179 C=CCCCCCOC(C)CCCCC 34a_100011215632_100000700193 [0,1,0,0,0,0|2,0,0]=3 3677 B14R0.179 C=CCCCCCOC(C)CCCCC 34a_100011216702_200011218191 [0,1,0,0,0,0|2,0,0]=3 3678 B14R0.179 C=CCCCCCOC(C)CCCCC 7a_100011215632_100000700193 [0,1,0,0,0,0|2,0,0]=3 3679 B14R0.179 C=CCCCCCOC(C)CCCCC 7a_100011216702_200011218191 [0,1,0,0,0,0|2,0,0]=3 3680 B14R0.179 C=CCCCCCOC(C)CCCOC 34a_200011539412_100000700193 [0,1,0,0,0,0|3,0,0]=4 3681 B14R0.179 C=CCCCCCOC(C)CCCOC 7a_200011539412_100000700193 [0,1,0,0,0,0|3,0,0]=4 3682 B14R0.179 C=CCCCCCSC(C)CCCCC 62a_100000700193_200011218191 [0,1,0,0,0,0|2,0,0]=3 3683 B14R0.179 C=CCCCCCSC(C)CCCCC 62a_200011218191_100000700193 [0,1,0,0,0,0|2,0,0]=3 3684 B14R0.179 C=CCCCCNCC(=O)CCCCC 2230a_100000703577_200012276598 [0,1,0,0,0,0|2,0,1]=4 3685 B14R0.179 C=CCCCCNCC(=O)CCCCC 34a_100000703577_200012276598 [0,1,0,0,0,0|2,0,1]=4 3686 B14R0.179 C=CCCCCOCC(=O)CCCCC 34a_100000766645_200012276598 [0,1,0,0,0,0|2,0,1]=4 3687 B14R0.179 C=CCCCCOCC(=O)CCCCC 7a_100000766645_200012276598 [0,1,0,0,0,0|2,0,1]=4 3688 B14R0.179 C=CCCCCOC[C@@H](N)CCCCN 34a_100016993712_100011215482 [0,1,0,0,0,0|3,0,0]=4 3689 B14R0.179 C=CCCCCSCC(=O)CCCCC 62a_100011215482_200012276598 [0,1,0,0,0,0|2,0,1]=4 3690 B14R0.179 C=CCCCCSCC(=O)CCCCC 62a_200012276598_100011215482 [0,1,0,0,0,0|2,0,1]=4 3691 B14R0.179 C=CCCCN(C)CCCCCCCC 2230a_100000207567_100011713584 [0,1,0,0,0,0|2,0,0]=3 3692 B14R0.179 C=CCCCN(C)CCCCCCCC 269982a_100000207567_100000757094 [0,1,0,0,0,0|2,0,0]=3 3693 B14R0.179 C=CCCNC(=O)CCCCCCCC 11a_100015191253_100000210188 [0,1,0,0,0,0|2,0,1]=4 3694 B14R0.179 C=CCCNC(=O)CCCCCCCC 1626a_100015191253_100000210188 [0,1,0,0,0,0|2,0,1]=4 3695 B14R0.179 C=CCCNC(=O)CCCCCCCC 240690a_100015191253_100000210188 [0,1,0,0,0,0|2,0,1]=4 3696 B14R0.179 C=CCCNC(=O)CCCCCCCC 527a_100015191253_100000210188 [0,1,0,0,0,0|2,0,1]=4 3697 B14R0.179 C=CCCNC(C)CCCCCCCC 270004a_100015191253_100011216694 [0,1,0,0,0,0|2,0,0]=3 3698 B14R0.179 C=CCCOC(C)CCCCCCCC 34a_100000210740_100000754431 [0,1,0,0,0,0|2,0,0]=3 3699 B14R0.179 C=CCCOC(C)CCCCCCCC 7a_100000210740_100000754431 [0,1,0,0,0,0|2,0,0]=3 3700 B14R0.179 C=CCNCC(C)CCCCCCCC 270004a_100020586998_100011995885 [0,1,0,0,0,0|2,0,0]=3 3701 B14R0.179 C=CCOCC(C)CCCCCCCC 34a_200012125181_100015514636 [0,1,0,0,0,0|2,0,0]=3 3702 B14R0.179 C=CCOCC(C)CCCCCCCC 7a_200012125181_100015514636 [0,1,0,0,0,0|2,0,0]=3 3703 B14R0.179 C=CCSCC(=O)CCCCCCCC 1458a_100000230395_100000210759 [0,1,0,0,0,0|2,0,1]=4 3704 B14R0.179 C=COCCC(=O)CCCCCCCC 1458a_100000210188_100000039644 [0,1,0,0,0,0|2,0,1]=4 3705 B14R0.179 C=COCCCCOC(C)CCCCC 34a_100000031558_200011218191 [0,1,0,0,0,0|3,0,0]=4 3706 B14R0.179 C=COCCCCOC(C)CCCCC 7a_100000031558_200011218191 [0,1,0,0,0,0|3,0,0]=4 3707 B14R0.179 C=COCCN(C)CCCCCCCC 2230a_100000207567_100000039644 [0,1,0,0,0,0|3,0,0]=4 3708 B14R0.179 C=COCCN(C)CCCCCCCC 269982a_100000207567_100000039644 [0,1,0,0,0,0|3,0,0]=4 3709 B14R0.179 CC=CCOC(C)CCCCCCCC 34a_100000210740_100000070051 [0,1,0,0,0,0|2,0,1]=4 3710 B14R0.179 CC=CCOC(C)CCCCCCCC 7a_100000210740_100000070051 [0,1,0,0,0,0|2,0,1]=4 3711 B14R0.179 CCC#CCC(C)OCCCCCC=O 7a_200000035118_100000139337 [0,1,0,0,0,0|1,0,2]=4 3712 B14R0.179 CCCCCC(=O)CCCCCCC#N 1458a_100000212188_100009813337 [0,1,0,0,0,0|1,0,2]=4 3713 B14R0.179 CCCCCC(=O)CCCCCCCO 1458a_100000212188_100000760002 [0,1,0,0,0,0|0,0,3]=4 3714 B14R0.179 CCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210326 [0,1,0,0,0,0|0,0,3]=4 3715 B14R0.179 CCCCCC(=O)CCCCCCOC 1458a_100000212188_100011998445 [0,1,0,0,0,0|2,0,1]=4 3716 B14R0.179 CCCCCC(=O)CSCCCCC=O 62a_100000139335_200012276598 [0,1,0,0,0,0|1,0,1]=3 3717 B14R0.179 CCCCCC(=O)CSCCCCC=O 62a_200012276598_100000139335 [0,1,0,0,0,0|1,0,1]=3 3718 B14R0.179 CCCCCC(C)NCCCCCC#N 2230a_100000211957_100009813376 [0,1,0,0,0,0|2,0,1]=4 3719 B14R0.179 CCCCCC(C)NCCCCCC#N 270004a_100000061152_100000211708 [0,1,0,0,0,0|2,0,1]=4 3720 B14R0.179 CCCCCC(C)NCCCCCC=O 2230a_100000211957_100000139337 [0,1,0,0,0,0|1,0,0]=2 3721 B14R0.179 CCCCCC(C)NCCCCCCF 2230a_100000211957_100015922095 [0,1,0,0,0,0|2,0,1]=4 3722 B14R0.179 CCCCCC(C)NCCCCCCO 2230a_100000211957_100000766143 [0,1,0,0,0,0|1,0,2]=4 3723 B14R0.179 CCCCCC(C)NCCCCCCO 2230a_100000686447_200011218191 [0,1,0,0,0,0|1,0,2]=4 3724 B14R0.179 CCCCCC(C)NCCCCCCO 270004a_100000686447_100000211708 [0,1,0,0,0,0|1,0,2]=4 3725 B14R0.179 CCCCCC(C)NCCCCCCO 34a_100000686447_200011218191 [0,1,0,0,0,0|1,0,2]=4 3726 B14R0.179 CCCCCC(C)NCCCCCOC 2230a_100000747528_200011218191 [0,1,0,0,0,0|3,0,0]=4 3727 B14R0.179 CCCCCC(C)NCCCCCOC 270004a_100000747528_100000211708 [0,1,0,0,0,0|3,0,0]=4 3728 B14R0.179 CCCCCC(C)NCCCCCOC 34a_100000747528_200011218191 [0,1,0,0,0,0|3,0,0]=4 3729 B14R0.179 CCCCCC(C)OCCCCCC#N 7a_100011215632_100009813376 [0,1,0,0,0,0|2,0,1]=4 3730 B14R0.179 CCCCCC(C)OCCCCCC=O 7a_100011215632_100000139337 [0,1,0,0,0,0|1,0,0]=2 3731 B14R0.179 CCCCCC(C)OCCCCCCBr 34a_100011215345_200011218191 [0,1,0,0,0,0|2,0,1]=4 3732 B14R0.179 CCCCCC(C)OCCCCCCBr 7a_100011215345_200011218191 [0,1,0,0,0,0|2,0,1]=4 3733 B14R0.179 CCCCCC(C)OCCCCCCCl 34a_100000766143_200011218191 [0,1,0,0,0,0|2,0,1]=4 3734 B14R0.179 CCCCCC(C)OCCCCCCCl 7a_100000766143_200011218191 [0,1,0,0,0,0|2,0,1]=4 3735 B14R0.179 CCCCCC(C)OCCCCCCF 34a_100000732779_200011218191 [0,1,0,0,0,0|2,0,1]=4 3736 B14R0.179 CCCCCC(C)OCCCCCCF 34a_100011215632_100015922095 [0,1,0,0,0,0|2,0,1]=4 3737 B14R0.179 CCCCCC(C)OCCCCCCF 7a_100000732779_200011218191 [0,1,0,0,0,0|2,0,1]=4 3738 B14R0.179 CCCCCC(C)OCCCCCCF 7a_100011215632_100015922095 [0,1,0,0,0,0|2,0,1]=4 3739 B14R0.179 CCCCCC(C)OCCCCCCN 34a_100000686447_200011218191 [0,1,0,0,0,0|2,0,1]=4 3740 B14R0.179 CCCCCC(C)OCCCCCCO 34a_100011215632_100000766143 [0,1,0,0,0,0|1,0,2]=4 3741 B14R0.179 CCCCCC(C)OCCCCCCO 7a_100011215632_100000766143 [0,1,0,0,0,0|1,0,2]=4 3742 B14R0.179 CCCCCC(C)OCCCCCNC 34a_100000722520_200011218191 [0,1,0,0,0,0|3,0,0]=4 3743 B14R0.179 CCCCCC(C)SCCCCCC#N 62a_100009813376_200011218191 [0,1,0,0,0,0|2,0,1]=4 3744 B14R0.179 CCCCCC(C)SCCCCCC#N 62a_200011218191_100009813376 [0,1,0,0,0,0|2,0,1]=4 3745 B14R0.179 CCCCCC(C)SCCCCCC=O 62a_100000139337_200011218191 [0,1,0,0,0,0|1,0,0]=2 3746 B14R0.179 CCCCCC(C)SCCCCCC=O 62a_200011218191_100000139337 [0,1,0,0,0,0|1,0,0]=2 3747 B14R0.179 CCCCCC(C)SCCCCCCF 62a_100015922095_200011218191 [0,1,0,0,0,0|2,0,1]=4 3748 B14R0.179 CCCCCC(C)SCCCCCCF 62a_200011218191_100015922095 [0,1,0,0,0,0|2,0,1]=4 3749 B14R0.179 CCCCCC(C)SCCCCCCO 62a_100000766143_200011218191 [0,1,0,0,0,0|1,0,2]=4 3750 B14R0.179 CCCCCC(C)SCCCCCCO 62a_200011218191_100000766143 [0,1,0,0,0,0|1,0,2]=4 3751 B14R0.179 CCCCCCCCC(=O)CCCC#N 1458a_100000075515_100000210759 [0,1,0,0,0,0|1,0,2]=4 3752 B14R0.179 CCCCCCCCC(=O)CCCC#N 1458a_100000210188_100000211468 [0,1,0,0,0,0|1,0,2]=4 3753 B14R0.179 CCCCCCCCC(=O)CCCCC 1458a_100000210188_100000210326 [0,1,0,0,0,0|1,0,2]=4 3754 B14R0.179 CCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210759 [0,1,0,0,0,0|1,0,2]=4 3755 B14R0.179 CCCCCCCCC(=O)CCCCF 1458a_100000210188_100000729493 [0,1,0,0,0,0|1,0,2]=4 3756 B14R0.179 CCCCCCCCC(=O)CCCCO 1458a_100000210188_100000210776 [0,1,0,0,0,0|0,0,3]=4 3757 B14R0.179 CCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210759 [0,1,0,0,0,0|0,0,3]=4 3758 B14R0.179 CCCCCCCCC(=O)CCCOC 1458a_100000210188_100000740836 [0,1,0,0,0,0|2,0,1]=4 3759 B14R0.179 CCCCCCCCC(=O)CCCOC 1458a_100000741012_100000210759 [0,1,0,0,0,0|2,0,1]=4 3760 B14R0.179 CCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210759 [0,1,0,0,0,0|2,0,1]=4 3761 B14R0.179 CCCCCCCCC(C)CNCCC 270004a_100020643023_100011995885 [0,1,0,0,0,0|2,0,1]=4 3762 B14R0.179 CCCCCCCCC(C)CNCCO 270004a_100000210304_100011995885 [0,1,0,0,0,0|1,0,2]=4 3763 B14R0.179 CCCCCCCCC(C)COCC#N 7a_200012125181_100011215382 [0,1,0,0,0,0|2,0,1]=4 3764 B14R0.179 CCCCCCCCC(C)COCC=O 34a_200012125181_200009817547 [0,1,0,0,0,0|1,0,0]=2 3765 B14R0.179 CCCCCCCCC(C)COCC=O 7a_200012125181_200015260668 [0,1,0,0,0,0|1,0,0]=2 3766 B14R0.179 CCCCCCCCC(C)COCCC 34a_200012125181_100000210303 [0,1,0,0,0,0|2,0,1]=4 3767 B14R0.179 CCCCCCCCC(C)COCCC 7a_200012125181_100000210303 [0,1,0,0,0,0|2,0,1]=4 3768 B14R0.179 CCCCCCCCC(C)COCCF 34a_200012125181_100011217306 [0,1,0,0,0,0|2,0,1]=4 3769 B14R0.179 CCCCCCCCC(C)COCCF 7a_200012125181_100011217306 [0,1,0,0,0,0|2,0,1]=4 3770 B14R0.179 CCCCCCCCC(C)COCCO 34a_200012125181_100000211926 [0,1,0,0,0,0|1,0,2]=4 3771 B14R0.179 CCCCCCCCC(C)COCCO 7a_200012125181_100000211926 [0,1,0,0,0,0|1,0,2]=4 3772 B14R0.179 CCCCCCCCC(C)COCSC 34a_200012125181_100011218213 [0,1,0,0,0,0|3,0,0]=4 3773 B14R0.179 CCCCCCCCC(C)NCCC#N 270004a_100000720768_100011216694 [0,1,0,0,0,0|2,0,1]=4 3774 B14R0.179 CCCCCCCCC(C)NCCCC 270004a_100000102301_100011216694 [0,1,0,0,0,0|2,0,1]=4 3775 B14R0.179 CCCCCCCCC(C)NCCCF 270004a_100015189416_100011216694 [0,1,0,0,0,0|2,0,1]=4 3776 B14R0.179 CCCCCCCCC(C)NCCCO 270004a_100000182051_100011216694 [0,1,0,0,0,0|1,0,2]=4 3777 B14R0.179 CCCCCCCCC(C)NCCOC 270004a_100000209980_100011216694 [0,1,0,0,0,0|3,0,0]=4 3778 B14R0.179 CCCCCCCCC(C)NCCSC 270004a_100020590264_100011216694 [0,1,0,0,0,0|3,0,0]=4 3779 B14R0.179 CCCCCCCCC(C)OCCC#N 7a_100000210740_100000184422 [0,1,0,0,0,0|2,0,1]=4 3780 B14R0.179 CCCCCCCCC(C)OCCCC 34a_100000210740_100000210210 [0,1,0,0,0,0|2,0,1]=4 3781 B14R0.179 CCCCCCCCC(C)OCCCC 7a_100000210740_100000210211 [0,1,0,0,0,0|2,0,1]=4 3782 B14R0.179 CCCCCCCCC(C)OCCCF 34a_100000210740_100011934791 [0,1,0,0,0,0|2,0,1]=4 3783 B14R0.179 CCCCCCCCC(C)OCCCF 7a_100000210740_100011934791 [0,1,0,0,0,0|2,0,1]=4 3784 B14R0.179 CCCCCCCCC(C)OCCCO 34a_100000210740_100000230001 [0,1,0,0,0,0|1,0,2]=4 3785 B14R0.179 CCCCCCCCC(C)OCCCO 7a_100000210740_100011215043 [0,1,0,0,0,0|1,0,2]=4 3786 B14R0.179 CCCCCCCCC(C)OCCOC 34a_100000210740_100011201679 [0,1,0,0,0,0|3,0,0]=4 3787 B14R0.179 CCCCCCCCC(C)OCCOC 7a_100000210740_100000233755 [0,1,0,0,0,0|3,0,0]=4 3788 B14R0.179 CCCCCCCCC(C)OCCSC 34a_100000210740_100000212216 [0,1,0,0,0,0|3,0,0]=4 3789 B14R0.179 CCCCCCCCC(C)OCCSC 7a_100000210740_100000212216 [0,1,0,0,0,0|3,0,0]=4 3790 B14R0.179 CCCCCCCCN(C)CCCC#N 2230a_100000207567_100000687738 [0,1,0,0,0,0|2,0,1]=4 3791 B14R0.179 CCCCCCCCN(C)CCCC#N 269982a_100000207567_100000687738 [0,1,0,0,0,0|2,0,1]=4 3792 B14R0.179 CCCCCCCCN(C)CCCC=O 2230a_100000207567_200011292268 [0,1,0,0,0,0|1,0,0]=2 3793 B14R0.179 CCCCCCCCN(C)CCCC=O 269982a_100000207567_200011292268 [0,1,0,0,0,0|1,0,0]=2 3794 B14R0.179 CCCCCCCCN(C)CCCCC 2230a_100000207567_100000210326 [0,1,0,0,0,0|2,0,1]=4 3795 B14R0.179 CCCCCCCCN(C)CCCCC 2230a_100000223495_100000210759 [0,1,0,0,0,0|2,0,1]=4 3796 B14R0.179 CCCCCCCCN(C)CCCCC 2230a_200000207366_200000210301 [0,1,0,0,0,0|2,0,1]=4 3797 B14R0.179 CCCCCCCCN(C)CCCCC 269982a_100000207567_100000210215 [0,1,0,0,0,0|2,0,1]=4 3798 B14R0.179 CCCCCCCCN(C)CCCCC 269982a_100000223495_100000210759 [0,1,0,0,0,0|2,0,1]=4 3799 B14R0.179 CCCCCCCCN(C)CCCCC 269982a_200000207366_200000210301 [0,1,0,0,0,0|2,0,1]=4 3800 B14R0.179 CCCCCCCCN(C)CCCCF 2230a_100000207567_100000729493 [0,1,0,0,0,0|2,0,1]=4 3801 B14R0.179 CCCCCCCCN(C)CCCCF 269982a_100000207567_100000729493 [0,1,0,0,0,0|2,0,1]=4 3802 B14R0.179 CCCCCCCCN(C)CCCCO 2230a_100000207567_100000210776 [0,1,0,0,0,0|1,0,2]=4 3803 B14R0.179 CCCCCCCCN(C)CCCCO 2230a_100000717598_100000210759 [0,1,0,0,0,0|1,0,2]=4 3804 B14R0.179 CCCCCCCCN(C)CCCCO 269982a_100000207567_100000210776 [0,1,0,0,0,0|1,0,2]=4 3805 B14R0.179 CCCCCCCCN(C)CCCCO 269982a_100000717598_100000210759 [0,1,0,0,0,0|1,0,2]=4 3806 B14R0.179 CCCCCCCCN(C)CCCOC 2230a_100000207567_100000740836 [0,1,0,0,0,0|3,0,0]=4 3807 B14R0.179 CCCCCCCCN(C)CCCOC 2230a_100000224831_100000210759 [0,1,0,0,0,0|3,0,0]=4 3808 B14R0.179 CCCCCCCCN(C)CCCOC 269982a_100000207567_100000740836 [0,1,0,0,0,0|3,0,0]=4 3809 B14R0.179 CCCCCCCCN(C)CCCOC 269982a_100000224831_100000210759 [0,1,0,0,0,0|3,0,0]=4 3810 B14R0.179 CCCCCCCCN([13CH3])CCCCC 2230a_200000207366_200025704644 [0,1,0,0,0,0|2,0,1]=4 3811 B14R0.179 CCCCCCCCN([13CH3])CCCCC 269982a_200000207366_200025704644 [0,1,0,0,0,0|2,0,1]=4 3812 B14R0.179 CCCCCCCNC(C)CCCC#N 270004a_100000229938_200000032708 [0,1,0,0,0,0|2,0,1]=4 3813 B14R0.179 CCCCCCCNC(C)CCCCC 2230a_100000211957_100000210681 [0,1,0,0,0,0|2,0,1]=4 3814 B14R0.179 CCCCCCCNC(C)CCCCC 2230a_100000229938_200011218191 [0,1,0,0,0,0|2,0,1]=4 3815 B14R0.179 CCCCCCCNC(C)CCCCC 270004a_100000229938_100000211708 [0,1,0,0,0,0|2,0,1]=4 3816 B14R0.179 CCCCCCCNC(C)CCCSC 270004a_100000229938_100011399439 [0,1,0,0,0,0|3,0,0]=4 3817 B14R0.179 CCCCCCCOC(C)CCCCC 34a_100000210272_200011218191 [0,1,0,0,0,0|2,0,1]=4 3818 B14R0.179 CCCCCCCOC(C)CCCCC 34a_100011215632_100000210614 [0,1,0,0,0,0|2,0,1]=4 3819 B14R0.179 CCCCCCCOC(C)CCCCC 7a_100000210272_200011218191 [0,1,0,0,0,0|2,0,1]=4 3820 B14R0.179 CCCCCCCOC(C)CCCCC 7a_100011215632_100000210614 [0,1,0,0,0,0|2,0,1]=4 3821 B14R0.179 CCCCCCCOC(C)CCCOC 34a_200011539412_100000210614 [0,1,0,0,0,0|3,0,0]=4 3822 B14R0.179 CCCCCCCOC(C)CCCOC 7a_200011539412_100000210614 [0,1,0,0,0,0|3,0,0]=4 3823 B14R0.179 CCCCCCCSC(C)CCCCC 62a_100000210614_200011218191 [0,1,0,0,0,0|2,0,1]=4 3824 B14R0.179 CCCCCCCSC(C)CCCCC 62a_200011218191_100000210316 [0,1,0,0,0,0|2,0,1]=4 3825 B14R0.179 CCCCCCOC[C@@H](N)CCCCN 34a_100016993712_100000210314 [0,1,0,0,0,0|2,0,1]=4 3826 B14R0.179 CCCCCN(C)CCCCCCC#N 2230a_100000223495_100009813337 [0,1,0,0,0,0|2,0,1]=4 3827 B14R0.179 CCCCCN(C)CCCCCCC#N 269982a_100000223495_100009813337 [0,1,0,0,0,0|2,0,1]=4 3828 B14R0.179 CCCCCN(C)CCCCCCCO 2230a_100000223495_100000760002 [0,1,0,0,0,0|1,0,2]=4 3829 B14R0.179 CCCCCN(C)CCCCCCCO 269982a_100000223495_100000760002 [0,1,0,0,0,0|1,0,2]=4 3830 B14R0.179 CCCCCN(C)CCCCCCOC 2230a_100000223495_100011998445 [0,1,0,0,0,0|3,0,0]=4 3831 B14R0.179 CCCCCN(C)CCCCCCOC 269982a_100000223495_100011998445 [0,1,0,0,0,0|3,0,0]=4 3832 B14R0.179 CCCCNC(=O)CSCCCCC=O 62a_100000139335_100000182744 [0,1,0,0,0,0|2,0,1]=4 3833 B14R0.179 CCCCNC(=O)CSCCCCC=O 62a_100000182744_100000139335 [0,1,0,0,0,0|2,0,1]=4 3834 B14R0.179 CCCCOC(=O)CSCCCCC=O 62a_100000139335_100000211628 [0,1,0,0,0,0|2,0,1]=4 3835 B14R0.179 CCCCOC(=O)CSCCCCC=O 62a_100000211628_100000139335 [0,1,0,0,0,0|2,0,1]=4 3836 B14R0.179 COCCCC(C)OCCCCCC=O 7a_200011539412_100000139337 [0,1,0,0,0,0|2,0,0]=3 3837 B14R0.337 C#CC(=O)CCCCCCCCCCC 1458a_100000211873_100011215454 [0,1,0,0,0,0|1,0,2]=4 3838 B14R0.337 C#CC(C)NCCCCCCCCCC 2230a_100000707721_100000210320 [0,1,0,0,0,0|2,0,1]=4 3839 B14R0.337 C#CC(C)NCCCCCCCCCC 34a_100000684558_200000035995 [0,1,0,0,0,0|2,0,1]=4 3840 B14R0.337 C#CC(C)NCCCCCCCCCC 34a_100000707721_100000210320 [0,1,0,0,0,0|2,0,1]=4 3841 B14R0.337 C#CC(C)OCCCCCCCCCC 34a_100000210711_200000035995 [0,1,0,0,0,0|2,0,1]=4 3842 B14R0.337 C#CC(C)SCCCCCCCCCC 62a_200000035995_100000210320 [0,1,0,0,0,0|2,0,1]=4 3843 B14R0.337 C#CC(O)CCCCCNCCCCC 2230a_100000209983_200010408556 [0,1,0,0,0,0|2,0,1]=4 3844 B14R0.337 C#CC(O)CCCCCOCCCCC 34a_100000210253_200010408556 [0,1,0,0,0,0|2,0,1]=4 3845 B14R0.337 C#CC(O)CCCCCOCCCCC 7a_100000210253_200010408556 [0,1,0,0,0,0|2,0,1]=4 3846 B14R0.337 C#CC(O)CCCCCSCCCC=O 62a_200010408556_200011292268 [0,1,0,0,0,0|1,0,2]=4 3847 B14R0.337 C#CC(O)CCCCCSCCCC=O 62a_200011292268_200010408556 [0,1,0,0,0,0|1,0,2]=4 3848 B14R0.337 C#CC(O)CCCCCSCCCCC 62a_100000210326_200010408556 [0,1,0,0,0,0|2,0,1]=4 3849 B14R0.337 C#CC(O)CCCCCSCCCCC 62a_200010408556_100000210326 [0,1,0,0,0,0|2,0,1]=4 3850 B14R0.337 C#CCCCCCCCCOC(C)CC 34a_100000065265_100011215416 [0,1,0,0,0,0|2,0,1]=4 3851 B14R0.337 C#CCCCCCCCCOC(C)CC 7a_100000065265_100000758301 [0,1,0,0,0,0|2,0,1]=4 3852 B14R0.337 C#CCCCCCCCNCC(C)CC 2230a_100020588543_100153394163 [0,1,0,0,0,0|2,0,1]=4 3853 B14R0.337 C#CCCCCCCCNCC(O)CC 2230a_100011218483_100153394163 [0,1,0,0,0,0|2,0,1]=4 3854 B14R0.337 C#CCCCCCCCOCC(C)CC 34a_100000054614_100000748023 [0,1,0,0,0,0|2,0,1]=4 3855 B14R0.337 C#CCCCCCCCOCC(C)CC 7a_100000054614_100000748023 [0,1,0,0,0,0|2,0,1]=4 3856 B14R0.337 C#CCCCCCCCOCC(O)CC 34a_100000054614_100011218378 [0,1,0,0,0,0|2,0,1]=4 3857 B14R0.337 C#CCCCCCCCOCC(O)CC 7a_100000054614_100011218378 [0,1,0,0,0,0|2,0,1]=4 3858 B14R0.337 C#CCCCCCCCOC[C@@H](C)CC 34a_100000054614_100009816398 [0,1,0,0,0,0|2,0,1]=4 3859 B14R0.337 C#CCCCCCCCOC[C@@H](C)CC 7a_100000054614_100009816398 [0,1,0,0,0,0|2,0,1]=4 3860 B14R0.337 C#CCCCCCCCOC[C@@H](C)CC 7a_100009816381_100153394163 [0,1,0,0,0,0|2,0,1]=4 3861 B14R0.337 C#CCCCCCCCSCC(C)CC 62a_100000748023_100153394163 [0,1,0,0,0,0|2,0,1]=4 3862 B14R0.337 C#CCCCCCCCSCC(C)CC 62a_100153394163_100000748023 [0,1,0,0,0,0|2,0,1]=4 3863 B14R0.337 C#CCCCCCCCSCC(O)CC 62a_100011218378_100153394163 [0,1,0,0,0,0|2,0,1]=4 3864 B14R0.337 C#CCCCCCCCSCC(O)CC 62a_100153394163_100011218378 [0,1,0,0,0,0|2,0,1]=4 3865 B14R0.337 C#CCCCCCCCSC[C@@H](C)CC 62a_100009816398_100153394163 [0,1,0,0,0,0|2,0,1]=4 3866 B14R0.337 C#CCCCCCCCSC[C@@H](C)CC 62a_100153394163_100009816398 [0,1,0,0,0,0|2,0,1]=4 3867 B14R0.337 C#CCCCCCCNCCC(C)CC 2230a_100020591266_100012276617 [0,1,0,0,0,0|2,0,1]=4 3868 B14R0.337 C#CCCCCCCOCCC(C)CC 7a_100011215188_100012276617 [0,1,0,0,0,0|2,0,1]=4 3869 B14R0.337 C#CCCCCCOCCCC(C)CC 7a_100011216074_100012094781 [0,1,0,0,0,0|2,0,1]=4 3870 B14R0.337 C#CCCCOCCCCCC(C)CC 7a_200000035636_100011215417 [0,1,0,0,0,0|2,0,1]=4 3871 B14R0.337 C#C[C@@H](C)OCCCCCCCCCC 34a_100009815206_100000210320 [0,1,0,0,0,0|2,0,1]=4 3872 B14R0.337 C#C[C@@H](C)OCCCCCCCCCC 7a_100009815206_100000210320 [0,1,0,0,0,0|2,0,1]=4 3873 B14R0.337 C=CC(=O)CCCCCCCCCCC 1458a_100000185746_100011215454 [0,1,0,0,0,0|1,0,1]=3 3874 B14R0.337 C=CC(=O)CCCCCCCCCCO 1458a_100000185746_100009813290 [0,1,0,0,0,0|2,0,1]=4 3875 B14R0.337 C=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000185746 [0,1,0,0,0,0|2,0,1]=4 3876 B14R0.337 C=CC(=O)NCCCCCCCCCC 240690a_100000684558_200121576911 [0,1,0,0,0,0|2,0,1]=4 3877 B14R0.337 C=CC(C)COCCCCCCCCC 34a_100011215527_100011214924 [0,1,0,0,0,0|2,0,0]=3 3878 B14R0.337 C=CC(C)COCCCCCCCCC 7a_100011215527_100000210328 [0,1,0,0,0,0|2,0,0]=3 3879 B14R0.337 C=CC(C)COCCCCCCCCO 34a_100011215527_100000033203 [0,1,0,0,0,0|3,0,0]=4 3880 B14R0.337 C=CC(C)COCCCCCCCCO 7a_100011215527_100000033203 [0,1,0,0,0,0|3,0,0]=4 3881 B14R0.337 C=CC(C)OCCCCCCCCCC 34a_100000695699_100000210320 [0,1,0,0,0,0|2,0,0]=3 3882 B14R0.337 C=CC(C)OCCCCCCCCCO 34a_100000695699_100009813782 [0,1,0,0,0,0|3,0,0]=4 3883 B14R0.337 C=CC(C)SCCCCCCCCCC 62a_100011215867_100000210320 [0,1,0,0,0,0|2,0,0]=3 3884 B14R0.337 C=CC(C)SCCCCCCCCCO 62a_100011215867_100009813782 [0,1,0,0,0,0|3,0,0]=4 3885 B14R0.337 C=CC(O)CNCCCCCCCCC 2230a_100000212291_100000730141 [0,1,0,0,0,0|2,0,0]=3 3886 B14R0.337 C=CC(O)CNCCCCCCCCC 34a_100000212291_100000730141 [0,1,0,0,0,0|2,0,0]=3 3887 B14R0.337 C=CC(O)CNCCCCCCCCO 2230a_102515433106_100000730141 [0,1,0,0,0,0|3,0,0]=4 3888 B14R0.337 C=CC(O)CNCCCCCCCCO 34a_102515433106_100000730141 [0,1,0,0,0,0|3,0,0]=4 3889 B14R0.337 C=CC(O)COCCCCCCCCBr 34a_100009813846_100000730141 [0,1,0,0,0,0|3,0,0]=4 3890 B14R0.337 C=CC(O)COCCCCCCCCBr 7a_100009813846_100000730141 [0,1,0,0,0,0|3,0,0]=4 3891 B14R0.337 C=CC(O)COCCCCCCCCC 34a_100000210712_100000730141 [0,1,0,0,0,0|2,0,0]=3 3892 B14R0.337 C=CC(O)COCCCCCCCCC 7a_100000210712_100000730141 [0,1,0,0,0,0|2,0,0]=3 3893 B14R0.337 C=CC(O)COCCCCCCCCCl 34a_100000033203_100000730141 [0,1,0,0,0,0|3,0,0]=4 3894 B14R0.337 C=CC(O)COCCCCCCCCCl 7a_100000033203_100000730141 [0,1,0,0,0,0|3,0,0]=4 3895 B14R0.337 C=CC(O)COCCCCCCCCN 34a_102515433106_100000730141 [0,1,0,0,0,0|3,0,0]=4 3896 B14R0.337 C=CC(O)COCCCCNCCCC 34a_200011216965_100000730141 [0,1,0,0,0,0|3,0,0]=4 3897 B14R0.337 C=CC(O)COCCCCOCCCC 34a_200000760531_100000730141 [0,1,0,0,0,0|3,0,0]=4 3898 B14R0.337 C=CC(O)COCCCCOCCCC 7a_200000760531_100000730141 [0,1,0,0,0,0|3,0,0]=4 3899 B14R0.337 C=CC(O)COCCOCCCCCC 34a_100000691444_100000730141 [0,1,0,0,0,0|3,0,0]=4 3900 B14R0.337 C=CC(O)COCCOCCCCCC 7a_100000691444_100000730141 [0,1,0,0,0,0|3,0,0]=4 3901 B14R0.337 C=CC(O)CSCCCCCCCCC 62a_100000730141_100000210670 [0,1,0,0,0,0|2,0,0]=3 3902 B14R0.337 C=CC(O)CSCCCCCCCCO 62a_100000033203_100000730141 [0,1,0,0,0,0|3,0,0]=4 3903 B14R0.337 C=CC(O)CSCCCCCCCCO 62a_100000730141_100000033203 [0,1,0,0,0,0|3,0,0]=4 3904 B14R0.337 C=CCCCCCCCCCC(=O)CC 1458a_100000210414_100009814027 [0,1,0,0,0,0|1,0,1]=3 3905 B14R0.337 C=CCCCCCCCCCC(=O)CO 1458a_100000210174_100009814027 [0,1,0,0,0,0|2,0,1]=4 3906 B14R0.337 C=CCCCCCCCCCN(C)CC 2230a_100000225621_100009814027 [0,1,0,0,0,0|2,0,0]=3 3907 B14R0.337 C=CCCCCCCCCCN(C)CC 269982a_100000225621_100009814027 [0,1,0,0,0,0|2,0,0]=3 3908 B14R0.337 C=CCCCCCCCCNC(C)CC 2230a_100000209981_100011933949 [0,1,0,0,0,0|2,0,0]=3 3909 B14R0.337 C=CCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011933949 [0,1,0,0,0,0|3,0,0]=4 3910 B14R0.337 C=CCCCCCCCCOC(C)CC 34a_100011215194_100011215416 [0,1,0,0,0,0|2,0,0]=3 3911 B14R0.337 C=CCCCCCCCCOC(C)CC 7a_100000210228_100011933949 [0,1,0,0,0,0|2,0,0]=3 3912 B14R0.337 C=CCCCCCCCCOC(C)CC 7a_100011215194_100000758301 [0,1,0,0,0,0|2,0,0]=3 3913 B14R0.337 C=CCCCCCCCCOC(C)CF 34a_100016041109_100011933949 [0,1,0,0,0,0|3,0,0]=4 3914 B14R0.337 C=CCCCCCCCCOC(C)CF 7a_100016041109_100011933949 [0,1,0,0,0,0|3,0,0]=4 3915 B14R0.337 C=CCCCCCCCCOC(C)CN 34a_100000210904_100011933949 [0,1,0,0,0,0|3,0,0]=4 3916 B14R0.337 C=CCCCCCCCCOC(C)CO 34a_100011215194_100012180447 [0,1,0,0,0,0|3,0,0]=4 3917 B14R0.337 C=CCCCCCCCCOC(C)CO 7a_100011215194_100012180447 [0,1,0,0,0,0|3,0,0]=4 3918 B14R0.337 C=CCCCCCCCCSC(C)CC 62a_100000758301_100011933949 [0,1,0,0,0,0|2,0,0]=3 3919 B14R0.337 C=CCCCCCCCCSC(C)CC 62a_100011933949_100000758301 [0,1,0,0,0,0|2,0,0]=3 3920 B14R0.337 C=CCCCCCCCCSC(C)CO 62a_100012180447_100011933949 [0,1,0,0,0,0|3,0,0]=4 3921 B14R0.337 C=CCCCCCCCCSC(C)OC 62a_100009879195_100011933949 [0,1,0,0,0,0|3,0,0]=4 3922 B14R0.337 C=CCCCCCCCCSC(C)OC 62a_100011933949_100009879195 [0,1,0,0,0,0|3,0,0]=4 3923 B14R0.337 C=CCCCCCCCCS[C@H](C)CO 62a_100011933949_100016084084 [0,1,0,0,0,0|3,0,0]=4 3924 B14R0.337 C=CCCCCCCCCS[C@H](C)CO 62a_100016084084_100011933949 [0,1,0,0,0,0|3,0,0]=4 3925 B14R0.337 C=CCCCCCCCNCC(C)CC 2230a_100020588543_100012355270 [0,1,0,0,0,0|2,0,0]=3 3926 B14R0.337 C=CCCCCCCCNCC(C)CO 34a_100000744482_100012355270 [0,1,0,0,0,0|3,0,0]=4 3927 B14R0.337 C=CCCCCCCCNCC(O)CC 2230a_100011218483_100012355270 [0,1,0,0,0,0|2,0,0]=3 3928 B14R0.337 C=CCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100012355270 [0,1,0,0,0,0|3,0,0]=4 3929 B14R0.337 C=CCCCCCCCNC[C@@H](F)CO 34a_100015665980_100012355270 [0,1,0,0,0,0|3,0,0]=4 3930 B14R0.337 C=CCCCCCCCNC[C@H](O)CO 2230a_100020644852_100012355270 [0,1,0,0,0,0|3,0,0]=4 3931 B14R0.337 C=CCCCCCCCOCC(=O)CC 34a_100000725409_100012355270 [0,1,0,0,0,0|2,0,1]=4 3932 B14R0.337 C=CCCCCCCCOCC(=O)CC 7a_100000730831_100000747405 [0,1,0,0,0,0|2,0,1]=4 3933 B14R0.337 C=CCCCCCCCOCC(C)CC 34a_100000730831_100000748023 [0,1,0,0,0,0|2,0,0]=3 3934 B14R0.337 C=CCCCCCCCOCC(C)CC 7a_100000730831_100000748023 [0,1,0,0,0,0|2,0,0]=3 3935 B14R0.337 C=CCCCCCCCOCC(C)CN 34a_100000744482_100012355270 [0,1,0,0,0,0|3,0,0]=4 3936 B14R0.337 C=CCCCCCCCOCC(C)OC 34a_100000690652_100012355270 [0,1,0,0,0,0|3,0,0]=4 3937 B14R0.337 C=CCCCCCCCOCC(Cl)CCl 34a_100000033668_100012355270 [0,1,0,0,0,0|3,0,0]=4 3938 B14R0.337 C=CCCCCCCCOCC(O)CC 34a_100000730831_100011218378 [0,1,0,0,0,0|2,0,0]=3 3939 B14R0.337 C=CCCCCCCCOCC(O)CC 7a_100000730831_100011218378 [0,1,0,0,0,0|2,0,0]=3 3940 B14R0.337 C=CCCCCCCCOCC(O)CO 34a_100000730831_100011219619 [0,1,0,0,0,0|3,0,0]=4 3941 B14R0.337 C=CCCCCCCCOCC(O)CO 7a_100000730831_100011219619 [0,1,0,0,0,0|3,0,0]=4 3942 B14R0.337 C=CCCCCCCCOC[C@@H](C)CC 34a_100000730831_100009816398 [0,1,0,0,0,0|2,0,0]=3 3943 B14R0.337 C=CCCCCCCCOC[C@@H](C)CC 7a_100000730831_100009816398 [0,1,0,0,0,0|2,0,0]=3 3944 B14R0.337 C=CCCCCCCCOC[C@@H](C)CC 7a_100009816381_100012355270 [0,1,0,0,0,0|2,0,0]=3 3945 B14R0.337 C=CCCCCCCCOC[C@@H](C)CO 34a_100000730831_100000059175 [0,1,0,0,0,0|3,0,0]=4 3946 B14R0.337 C=CCCCCCCCOC[C@@H](C)CO 7a_100000730831_100000059175 [0,1,0,0,0,0|3,0,0]=4 3947 B14R0.337 C=CCCCCCCCOC[C@@H](O)CF 34a_100000730831_100015614560 [0,1,0,0,0,0|3,0,0]=4 3948 B14R0.337 C=CCCCCCCCOC[C@@H](O)CF 7a_100000730831_100015614560 [0,1,0,0,0,0|3,0,0]=4 3949 B14R0.337 C=CCCCCCCCOC[C@@H](O)CO 34a_100000730831_100009815848 [0,1,0,0,0,0|3,0,0]=4 3950 B14R0.337 C=CCCCCCCCOC[C@@H](O)CO 7a_100000730831_100009815848 [0,1,0,0,0,0|3,0,0]=4 3951 B14R0.337 C=CCCCCCCCOC[C@H](F)CN 34a_100015665980_100012355270 [0,1,0,0,0,0|3,0,0]=4 3952 B14R0.337 C=CCCCCCCCSCC(=O)CC 62a_100000747405_100012355270 [0,1,0,0,0,0|2,0,1]=4 3953 B14R0.337 C=CCCCCCCCSCC(=O)CC 62a_100012355270_100000747405 [0,1,0,0,0,0|2,0,1]=4 3954 B14R0.337 C=CCCCCCCCSCC(C)CC 62a_100000748023_100012355270 [0,1,0,0,0,0|2,0,0]=3 3955 B14R0.337 C=CCCCCCCCSCC(C)CC 62a_100012355270_100000748023 [0,1,0,0,0,0|2,0,0]=3 3956 B14R0.337 C=CCCCCCCCSCC(O)CC 62a_100011218378_100012355270 [0,1,0,0,0,0|2,0,0]=3 3957 B14R0.337 C=CCCCCCCCSCC(O)CC 62a_100012355270_100011218378 [0,1,0,0,0,0|2,0,0]=3 3958 B14R0.337 C=CCCCCCCCSCC(O)CO 62a_100011219619_100012355270 [0,1,0,0,0,0|3,0,0]=4 3959 B14R0.337 C=CCCCCCCCSCC(O)CO 62a_100012355270_100011219619 [0,1,0,0,0,0|3,0,0]=4 3960 B14R0.337 C=CCCCCCCCSC[C@@H](C)CC 62a_100009816398_100012355270 [0,1,0,0,0,0|2,0,0]=3 3961 B14R0.337 C=CCCCCCCCSC[C@@H](C)CC 62a_100012355270_100009816398 [0,1,0,0,0,0|2,0,0]=3 3962 B14R0.337 C=CCCCCCCCSC[C@@H](C)CO 62a_100000059175_100012355270 [0,1,0,0,0,0|3,0,0]=4 3963 B14R0.337 C=CCCCCCCCSC[C@@H](C)CO 62a_100012355270_100000059175 [0,1,0,0,0,0|3,0,0]=4 3964 B14R0.337 C=CCCCCCCCSC[C@@H](O)CF 62a_100012355270_100015614560 [0,1,0,0,0,0|3,0,0]=4 3965 B14R0.337 C=CCCCCCCCSC[C@@H](O)CF 62a_100015614560_100012355270 [0,1,0,0,0,0|3,0,0]=4 3966 B14R0.337 C=CCCCCCCCSC[C@@H](O)CO 62a_100009815848_100012355270 [0,1,0,0,0,0|3,0,0]=4 3967 B14R0.337 C=CCCCCCCCSC[C@@H](O)CO 62a_100012355270_100009815848 [0,1,0,0,0,0|3,0,0]=4 3968 B14R0.337 C=CCCCCCCNCCC(C)CC 2230a_100020591266_100011215473 [0,1,0,0,0,0|2,0,0]=3 3969 B14R0.337 C=CCCCCCCNCCC(C)CO 2230a_106354213184_100011215473 [0,1,0,0,0,0|3,0,0]=4 3970 B14R0.337 C=CCCCCCCNCCC(C)CO 34a_106354213184_100011215473 [0,1,0,0,0,0|3,0,0]=4 3971 B14R0.337 C=CCCCCCCOCCC(C)CC 7a_100011215188_100011215473 [0,1,0,0,0,0|2,0,0]=3 3972 B14R0.337 C=CCCCCCCOCCC(C)OC 7a_100000764861_100011215473 [0,1,0,0,0,0|3,0,0]=4 3973 B14R0.337 C=CCCCCCOCCCC(C)CC 7a_100011216074_100000700193 [0,1,0,0,0,0|2,0,0]=3 3974 B14R0.337 C=CCCCCCOCCCN(C)CC 7a_100011216702_100015186262 [0,1,0,0,0,0|3,0,0]=4 3975 B14R0.337 C=CCCCCCOCCC[C@@H](C)CN 34a_100160569302_100000700193 [0,1,0,0,0,0|3,0,0]=4 3976 B14R0.337 C=CCCCCCSCCCN(C)CC 62a_100000700193_100015186262 [0,1,0,0,0,0|3,0,0]=4 3977 B14R0.337 C=CCCCOCCCCCC(C)CC 7a_200000035636_100000757094 [0,1,0,0,0,0|2,0,0]=3 3978 B14R0.337 C=COCCOCCCCCC(C)CC 7a_200000035636_100000039644 [0,1,0,0,0,0|3,0,0]=4 3979 B14R0.337 C=C[C@H](N)COCCCCCCCCC 34a_100016989147_100011214924 [0,1,0,0,0,0|2,0,0]=3 3980 B14R0.337 C=C[C@H](N)COCCCCCCCCO 34a_100016989147_100000033203 [0,1,0,0,0,0|3,0,0]=4 3981 B14R0.337 CCC(=O)CCCCCCCCCCO 1458a_100000210414_100009813290 [0,1,0,0,0,0|0,0,3]=4 3982 B14R0.337 CCC(=O)NCCOCCCCCC=O 7a_200000158885_100000139337 [0,1,0,0,0,0|2,0,1]=4 3983 B14R0.337 CCC(=O)OCCOCCCCCC=O 7a_200000031056_100000139337 [0,1,0,0,0,0|2,0,1]=4 3984 B14R0.337 CCC(C)CCCCCOCCCC#N 7a_200000035636_100000687738 [0,1,0,0,0,0|2,0,1]=4 3985 B14R0.337 CCC(C)CCCCCOCCCC=O 7a_200000035636_200011292268 [0,1,0,0,0,0|1,0,0]=2 3986 B14R0.337 CCC(C)CCCCCOCCCCF 7a_200000035636_100000729493 [0,1,0,0,0,0|2,0,1]=4 3987 B14R0.337 CCC(C)CCCCCOCCCCO 7a_200000035636_100000210776 [0,1,0,0,0,0|1,0,2]=4 3988 B14R0.337 CCC(C)CCCCCOCCCOC 7a_200000035636_100000740836 [0,1,0,0,0,0|3,0,0]=4 3989 B14R0.337 CCC(C)CCCOCCCCCC#N 7a_100011216074_100009813376 [0,1,0,0,0,0|2,0,1]=4 3990 B14R0.337 CCC(C)CCCOCCCCCC=O 7a_100011216074_100000139337 [0,1,0,0,0,0|1,0,0]=2 3991 B14R0.337 CCC(C)CCCOCCCCCCF 7a_100011216074_100015922095 [0,1,0,0,0,0|2,0,1]=4 3992 B14R0.337 CCC(C)CCCOCCCCCCO 7a_100011216074_100000766143 [0,1,0,0,0,0|1,0,2]=4 3993 B14R0.337 CCC(C)CCNCCCCCCC#N 2230a_100020591266_100009813337 [0,1,0,0,0,0|2,0,1]=4 3994 B14R0.337 CCC(C)CCNCCCCCCCO 2230a_100020591266_100000760002 [0,1,0,0,0,0|1,0,2]=4 3995 B14R0.337 CCC(C)CCNCCCCCCOC 2230a_100020591266_100011998445 [0,1,0,0,0,0|3,0,0]=4 3996 B14R0.337 CCC(C)CCOCCCCCCC#N 7a_100011215188_100009813337 [0,1,0,0,0,0|2,0,1]=4 3997 B14R0.337 CCC(C)CCOCCCCCCCO 7a_100011215188_100000760002 [0,1,0,0,0,0|1,0,2]=4 3998 B14R0.337 CCC(C)CCOCCCCCCOC 7a_100011215188_100011998445 [0,1,0,0,0,0|3,0,0]=4 3999 B14R0.337 CCC(C)CNCCCCCCCCO 2230a_100020588543_100000033203 [0,1,0,0,0,0|1,0,2]=4 4000 B14R0.337 CCC(C)CNCCCCCCCCO 2230a_102515433106_100000748023 [0,1,0,0,0,0|1,0,2]=4 4001 B14R0.337 CCC(C)CNCCCCCCCCO 270004a_102515433106_100000243153 [0,1,0,0,0,0|1,0,2]=4 4002 B14R0.337 CCC(C)CNCCCCCCCCO 34a_102515433106_100000748023 [0,1,0,0,0,0|1,0,2]=4 4003 B14R0.337 CCC(C)COCCCCCCCCBr 34a_100009813846_100000748023 [0,1,0,0,0,0|2,0,1]=4 4004 B14R0.337 CCC(C)COCCCCCCCCBr 7a_100009813846_100000748023 [0,1,0,0,0,0|2,0,1]=4 4005 B14R0.337 CCC(C)COCCCCCCCCCl 34a_100000033203_100000748023 [0,1,0,0,0,0|2,0,1]=4 4006 B14R0.337 CCC(C)COCCCCCCCCCl 7a_100000033203_100000748023 [0,1,0,0,0,0|2,0,1]=4 4007 B14R0.337 CCC(C)COCCCCCCCCN 34a_102515433106_100000748023 [0,1,0,0,0,0|2,0,1]=4 4008 B14R0.337 CCC(C)CSCCCCCCCCO 62a_100000033203_100000748023 [0,1,0,0,0,0|1,0,2]=4 4009 B14R0.337 CCC(C)CSCCCCCCCCO 62a_100000748023_100000033203 [0,1,0,0,0,0|1,0,2]=4 4010 B14R0.337 CCC(C)NCCCCCCCCCO 2230a_100000078944_100000758301 [0,1,0,0,0,0|1,0,2]=4 4011 B14R0.337 CCC(C)NCCCCCCCCCO 2230a_100000209981_100009813782 [0,1,0,0,0,0|1,0,2]=4 4012 B14R0.337 CCC(C)NCCCCCCCCCO 34a_100000078944_100011215416 [0,1,0,0,0,0|1,0,2]=4 4013 B14R0.337 CCC(C)OCCCCCCCCCBr 34a_100009813782_100011215416 [0,1,0,0,0,0|2,0,1]=4 4014 B14R0.337 CCC(C)OCCCCCCCCCBr 7a_100009813782_100000758301 [0,1,0,0,0,0|2,0,1]=4 4015 B14R0.337 CCC(C)OCCCCCCCCCCl 34a_100009868337_100011215416 [0,1,0,0,0,0|2,0,1]=4 4016 B14R0.337 CCC(C)OCCCCCCCCCCl 7a_100009868337_100000758301 [0,1,0,0,0,0|2,0,1]=4 4017 B14R0.337 CCC(C)OCCCCCCCCCN 34a_100000078944_100011215416 [0,1,0,0,0,0|2,0,1]=4 4018 B14R0.337 CCC(C)OCCCCCCCCCO 7a_100000210228_100009813782 [0,1,0,0,0,0|1,0,2]=4 4019 B14R0.337 CCC(C)SCCCCCCCCCO 62a_100000758301_100009813782 [0,1,0,0,0,0|1,0,2]=4 4020 B14R0.337 CCC(C)SCCCCCCCCCO 62a_100009813782_100000758301 [0,1,0,0,0,0|1,0,2]=4 4021 B14R0.337 CCC(O)CNCCCCCCCCO 2230a_100011218483_100000033203 [0,1,0,0,0,0|1,0,2]=4 4022 B14R0.337 CCC(O)CNCCCCCCCCO 2230a_102515433106_100011218378 [0,1,0,0,0,0|1,0,2]=4 4023 B14R0.337 CCC(O)CNCCCCCCCCO 34a_102515433106_100011218378 [0,1,0,0,0,0|1,0,2]=4 4024 B14R0.337 CCC(O)COCCCCCCCCBr 34a_100009813846_100011218378 [0,1,0,0,0,0|2,0,1]=4 4025 B14R0.337 CCC(O)COCCCCCCCCBr 7a_100009813846_100011218378 [0,1,0,0,0,0|2,0,1]=4 4026 B14R0.337 CCC(O)COCCCCCCCCCl 34a_100000033203_100011218378 [0,1,0,0,0,0|2,0,1]=4 4027 B14R0.337 CCC(O)COCCCCCCCCCl 7a_100000033203_100011218378 [0,1,0,0,0,0|2,0,1]=4 4028 B14R0.337 CCC(O)COCCCCCCCCN 34a_102515433106_100011218378 [0,1,0,0,0,0|2,0,1]=4 4029 B14R0.337 CCC(O)CSCCCCCCCCO 62a_100000033203_100011218378 [0,1,0,0,0,0|1,0,2]=4 4030 B14R0.337 CCC(O)CSCCCCCCCCO 62a_100011218378_100000033203 [0,1,0,0,0,0|1,0,2]=4 4031 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011215454 [0,1,0,0,0,0|1,0,2]=4 4032 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210736_100000210202 [0,1,0,0,0,0|1,0,2]=4 4033 B14R0.337 CCCCCCCCCCCC(=O)CF 1458a_100000210736_100015361967 [0,1,0,0,0,0|1,0,2]=4 4034 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [0,1,0,0,0,0|0,0,3]=4 4035 B14R0.337 CCCCCCCCCCCC(=O)NC 11a_106832991635_100000210736 [0,1,0,0,0,0|2,0,1]=4 4036 B14R0.337 CCCCCCCCCCCC(=O)NC 1626a_100102657272_100000210736 [0,1,0,0,0,0|2,0,1]=4 4037 B14R0.337 CCCCCCCCCCCC(=O)NC 240690a_100102657272_100000210736 [0,1,0,0,0,0|2,0,1]=4 4038 B14R0.337 CCCCCCCCCCCC(C)NC 270004a_106832991635_100011216755 [0,1,0,0,0,0|2,0,0]=3 4039 B14R0.337 CCCCCCCCCCCC(C)OC 34a_100011217895_200000210301 [0,1,0,0,0,0|2,0,0]=3 4040 B14R0.337 CCCCCCCCCCCC(C)OC 7a_100011217895_200000210301 [0,1,0,0,0,0|2,0,0]=3 4041 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 34a_100011217895_200025704644 [0,1,0,0,0,0|2,0,0]=3 4042 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 7a_100011217895_200025704644 [0,1,0,0,0,0|2,0,0]=3 4043 B14R0.337 CCCCCCCCCCCN(C)CC 2230a_100000225621_100011215454 [0,1,0,0,0,0|2,0,1]=4 4044 B14R0.337 CCCCCCCCCCCN(C)CC 269982a_100000225621_100011215454 [0,1,0,0,0,0|2,0,1]=4 4045 B14R0.337 CCCCCCCCCCNC(C)C#N 2230a_100000684558_100000184139 [0,1,0,0,0,0|2,0,1]=4 4046 B14R0.337 CCCCCCCCCCNC(C)C#N 2230a_100000737613_100000210320 [0,1,0,0,0,0|2,0,1]=4 4047 B14R0.337 CCCCCCCCCCNC(C)CC 2230a_100000209981_100000210320 [0,1,0,0,0,0|2,0,1]=4 4048 B14R0.337 CCCCCCCCCCNC(C)CC 2230a_100000684558_100000758301 [0,1,0,0,0,0|2,0,1]=4 4049 B14R0.337 CCCCCCCCCCNC(C)CC 34a_100000684558_100011215416 [0,1,0,0,0,0|2,0,1]=4 4050 B14R0.337 CCCCCCCCCCNC(C)CO 2230a_100000684558_100012180447 [0,1,0,0,0,0|1,0,2]=4 4051 B14R0.337 CCCCCCCCCCNC(C)CO 34a_100000684558_100012180447 [0,1,0,0,0,0|1,0,2]=4 4052 B14R0.337 CCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210320 [0,1,0,0,0,0|1,0,2]=4 4053 B14R0.337 CCCCCCCCCCOC(C)C#N 34a_100011218135_100000210320 [0,1,0,0,0,0|2,0,1]=4 4054 B14R0.337 CCCCCCCCCCOC(C)C#N 7a_100000210711_100000703298 [0,1,0,0,0,0|2,0,1]=4 4055 B14R0.337 CCCCCCCCCCOC(C)CC 34a_100000210711_100011215416 [0,1,0,0,0,0|2,0,1]=4 4056 B14R0.337 CCCCCCCCCCOC(C)CC 7a_100000210228_100000210320 [0,1,0,0,0,0|2,0,1]=4 4057 B14R0.337 CCCCCCCCCCOC(C)CC 7a_100000210711_100000758301 [0,1,0,0,0,0|2,0,1]=4 4058 B14R0.337 CCCCCCCCCCOC(C)CF 34a_100016041109_100000210320 [0,1,0,0,0,0|2,0,1]=4 4059 B14R0.337 CCCCCCCCCCOC(C)CF 7a_100016041109_100000210320 [0,1,0,0,0,0|2,0,1]=4 4060 B14R0.337 CCCCCCCCCCOC(C)CN 34a_100000210904_100000210320 [0,1,0,0,0,0|2,0,1]=4 4061 B14R0.337 CCCCCCCCCCOC(C)CO 34a_100000210711_100012180447 [0,1,0,0,0,0|1,0,2]=4 4062 B14R0.337 CCCCCCCCCCOC(C)CO 7a_100000210711_100012180447 [0,1,0,0,0,0|1,0,2]=4 4063 B14R0.337 CCCCCCCCCCSC(C)C#N 62a_100000703298_100000210320 [0,1,0,0,0,0|2,0,1]=4 4064 B14R0.337 CCCCCCCCCCSC(C)CC 62a_100000758301_100000210320 [0,1,0,0,0,0|2,0,1]=4 4065 B14R0.337 CCCCCCCCCCSC(C)CO 62a_100012180447_100000210320 [0,1,0,0,0,0|1,0,2]=4 4066 B14R0.337 CCCCCCCCCCSC(C)OC 62a_100009879195_100000210320 [0,1,0,0,0,0|3,0,0]=4 4067 B14R0.337 CCCCCCCCCCSC(F)C#N 62a_200000117898_100000210320 [0,1,0,0,0,0|2,0,1]=4 4068 B14R0.337 CCCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210320 [0,1,0,0,0,0|1,0,2]=4 4069 B14R0.337 CCCCCCCCCNCC(C)CC 2230a_100000212291_100000748023 [0,1,0,0,0,0|2,0,1]=4 4070 B14R0.337 CCCCCCCCCNCC(C)CC 2230a_100020588543_100011214924 [0,1,0,0,0,0|2,0,1]=4 4071 B14R0.337 CCCCCCCCCNCC(C)CC 270004a_100000212291_100000243153 [0,1,0,0,0,0|2,0,1]=4 4072 B14R0.337 CCCCCCCCCNCC(C)CC 34a_100000212291_100000748023 [0,1,0,0,0,0|2,0,1]=4 4073 B14R0.337 CCCCCCCCCNCC(C)CO 34a_100000744482_100011214924 [0,1,0,0,0,0|1,0,2]=4 4074 B14R0.337 CCCCCCCCCNCC(O)CC 2230a_100000212291_100011218378 [0,1,0,0,0,0|2,0,1]=4 4075 B14R0.337 CCCCCCCCCNCC(O)CC 2230a_100011218483_100011214924 [0,1,0,0,0,0|2,0,1]=4 4076 B14R0.337 CCCCCCCCCNCC(O)CC 34a_100000212291_100011218378 [0,1,0,0,0,0|2,0,1]=4 4077 B14R0.337 CCCCCCCCCNCC(O)CO 2230a_100000212291_100011219619 [0,1,0,0,0,0|1,0,2]=4 4078 B14R0.337 CCCCCCCCCNCC(O)CO 34a_100000212291_100011219619 [0,1,0,0,0,0|1,0,2]=4 4079 B14R0.337 CCCCCCCCCNC[C@@H](C)CC 2230a_100000212291_100009816398 [0,1,0,0,0,0|2,0,1]=4 4080 B14R0.337 CCCCCCCCCNC[C@@H](C)CC 34a_100000212291_100009816398 [0,1,0,0,0,0|2,0,1]=4 4081 B14R0.337 CCCCCCCCCNC[C@@H](C)CO 2230a_100000212291_100000059175 [0,1,0,0,0,0|1,0,2]=4 4082 B14R0.337 CCCCCCCCCNC[C@@H](C)CO 34a_100000212291_100000059175 [0,1,0,0,0,0|1,0,2]=4 4083 B14R0.337 CCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011214924 [0,1,0,0,0,0|3,0,0]=4 4084 B14R0.337 CCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100011214924 [0,1,0,0,0,0|1,0,2]=4 4085 B14R0.337 CCCCCCCCCNC[C@@H](O)CF 2230a_100000212291_100015614560 [0,1,0,0,0,0|2,0,1]=4 4086 B14R0.337 CCCCCCCCCNC[C@@H](O)CF 34a_100000212291_100015614560 [0,1,0,0,0,0|2,0,1]=4 4087 B14R0.337 CCCCCCCCCNC[C@@H](O)CO 2230a_100000212291_100009815848 [0,1,0,0,0,0|1,0,2]=4 4088 B14R0.337 CCCCCCCCCNC[C@@H](O)CO 34a_100000212291_100009815848 [0,1,0,0,0,0|1,0,2]=4 4089 B14R0.337 CCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011214924 [0,1,0,0,0,0|1,0,2]=4 4090 B14R0.337 CCCCCCCCCOCC(C)CC 34a_100000210712_100000748023 [0,1,0,0,0,0|2,0,1]=4 4091 B14R0.337 CCCCCCCCCOCC(C)CC 7a_100000210712_100000748023 [0,1,0,0,0,0|2,0,1]=4 4092 B14R0.337 CCCCCCCCCOCC(C)CN 34a_100000744482_100011214924 [0,1,0,0,0,0|2,0,1]=4 4093 B14R0.337 CCCCCCCCCOCC(C)OC 34a_100000690652_100011214924 [0,1,0,0,0,0|3,0,0]=4 4094 B14R0.337 CCCCCCCCCOCC(Cl)CCl 34a_100000033668_100011214924 [0,1,0,0,0,0|2,0,1]=4 4095 B14R0.337 CCCCCCCCCOCC(O)CC 34a_100000210712_100011218378 [0,1,0,0,0,0|2,0,1]=4 4096 B14R0.337 CCCCCCCCCOCC(O)CC 7a_100000210712_100011218378 [0,1,0,0,0,0|2,0,1]=4 4097 B14R0.337 CCCCCCCCCOCC(O)CO 34a_100000210712_100011219619 [0,1,0,0,0,0|1,0,2]=4 4098 B14R0.337 CCCCCCCCCOCC(O)CO 7a_100000210712_100011219619 [0,1,0,0,0,0|1,0,2]=4 4099 B14R0.337 CCCCCCCCCOC[C@@H](C)CC 34a_100000210712_100009816398 [0,1,0,0,0,0|2,0,1]=4 4100 B14R0.337 CCCCCCCCCOC[C@@H](C)CC 7a_100000210712_100009816398 [0,1,0,0,0,0|2,0,1]=4 4101 B14R0.337 CCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210328 [0,1,0,0,0,0|2,0,1]=4 4102 B14R0.337 CCCCCCCCCOC[C@@H](C)CO 34a_100000210712_100000059175 [0,1,0,0,0,0|1,0,2]=4 4103 B14R0.337 CCCCCCCCCOC[C@@H](C)CO 7a_100000210712_100000059175 [0,1,0,0,0,0|1,0,2]=4 4104 B14R0.337 CCCCCCCCCOC[C@@H](O)CF 34a_100000210712_100015614560 [0,1,0,0,0,0|2,0,1]=4 4105 B14R0.337 CCCCCCCCCOC[C@@H](O)CF 7a_100000210712_100015614560 [0,1,0,0,0,0|2,0,1]=4 4106 B14R0.337 CCCCCCCCCOC[C@@H](O)CO 34a_100000210712_100009815848 [0,1,0,0,0,0|1,0,2]=4 4107 B14R0.337 CCCCCCCCCOC[C@@H](O)CO 7a_100000210712_100009815848 [0,1,0,0,0,0|1,0,2]=4 4108 B14R0.337 CCCCCCCCCOC[C@H](F)CN 34a_100015665980_100011214924 [0,1,0,0,0,0|2,0,1]=4 4109 B14R0.337 CCCCCCCCCSCC(C)CC 62a_100000748023_100000210670 [0,1,0,0,0,0|2,0,1]=4 4110 B14R0.337 CCCCCCCCCSCC(O)CC 62a_100011218378_100000210670 [0,1,0,0,0,0|2,0,1]=4 4111 B14R0.337 CCCCCCCCCSCC(O)CO 62a_100011219619_100000210670 [0,1,0,0,0,0|1,0,2]=4 4112 B14R0.337 CCCCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210670 [0,1,0,0,0,0|2,0,1]=4 4113 B14R0.337 CCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210670 [0,1,0,0,0,0|1,0,2]=4 4114 B14R0.337 CCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210670 [0,1,0,0,0,0|2,0,1]=4 4115 B14R0.337 CCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210670 [0,1,0,0,0,0|1,0,2]=4 4116 B14R0.337 CCCCCCCCNCCC(C)CC 2230a_100020591266_100000210759 [0,1,0,0,0,0|2,0,1]=4 4117 B14R0.337 CCCCCCCCNCCC(C)CO 2230a_106354213184_100000210759 [0,1,0,0,0,0|1,0,2]=4 4118 B14R0.337 CCCCCCCCNCCC(C)CO 34a_106354213184_100000210759 [0,1,0,0,0,0|1,0,2]=4 4119 B14R0.337 CCCCCCCCOCCC(C)CC 7a_100011215188_100000210759 [0,1,0,0,0,0|2,0,1]=4 4120 B14R0.337 CCCCCCCCOCCC(C)OC 7a_100000764861_100000210759 [0,1,0,0,0,0|3,0,0]=4 4121 B14R0.337 CCCCCCCOCCCC(C)CC 7a_100011216074_100000210614 [0,1,0,0,0,0|2,0,1]=4 4122 B14R0.337 CCCCCCCOCCC[C@@H](C)CN 34a_100160569302_100000210614 [0,1,0,0,0,0|2,0,1]=4 4123 B14R0.337 CCCCCOCCCCCC(C)CC 7a_200000035636_100000210326 [0,1,0,0,0,0|2,0,1]=4 4124 B14R0.337 CCN(C)CCCCCCCCCCO 2230a_100000225621_100009813290 [0,1,0,0,0,0|1,0,2]=4 4125 B14R0.337 CCN(C)CCCCCCCCCCO 269982a_100000225621_100009813290 [0,1,0,0,0,0|1,0,2]=4 4126 B14R0.337 CCN(C)CCCSCCCCCC=O 62a_100000139337_100015186262 [0,1,0,0,0,0|2,0,0]=3 4127 B14R0.337 CC[C@H](C)CNCCCCCCCCO 2230a_102515433106_100009816398 [0,1,0,0,0,0|1,0,2]=4 4128 B14R0.337 CC[C@H](C)CNCCCCCCCCO 34a_102515433106_100009816398 [0,1,0,0,0,0|1,0,2]=4 4129 B14R0.337 CC[C@H](C)COCCCCCCCCBr 34a_100009813846_100009816398 [0,1,0,0,0,0|2,0,1]=4 4130 B14R0.337 CC[C@H](C)COCCCCCCCCBr 7a_100009813846_100009816398 [0,1,0,0,0,0|2,0,1]=4 4131 B14R0.337 CC[C@H](C)COCCCCCCCCCl 34a_100000033203_100009816398 [0,1,0,0,0,0|2,0,1]=4 4132 B14R0.337 CC[C@H](C)COCCCCCCCCCl 7a_100000033203_100009816398 [0,1,0,0,0,0|2,0,1]=4 4133 B14R0.337 CC[C@H](C)COCCCCCCCCN 34a_102515433106_100009816398 [0,1,0,0,0,0|2,0,1]=4 4134 B14R0.337 CC[C@H](C)COCCCCCCCCO 7a_100009816381_100000033203 [0,1,0,0,0,0|1,0,2]=4 4135 B14R0.337 CC[C@H](C)CSCCCCCCCCO 62a_100000033203_100009816398 [0,1,0,0,0,0|1,0,2]=4 4136 B14R0.337 CC[C@H](C)CSCCCCCCCCO 62a_100009816398_100000033203 [0,1,0,0,0,0|1,0,2]=4 4137 B14R0.337 CNC(=O)CCCNCCCCCC=O 2230a_100000740002_100000139337 [0,1,0,0,0,0|2,0,1]=4 4138 B14R0.337 CNC(=O)CCCSCCCCCC=O 62a_100000139337_100000741757 [0,1,0,0,0,0|2,0,1]=4 4139 B14R0.337 CNC(=O)CCCSCCCCCC=O 62a_100000741757_100000139337 [0,1,0,0,0,0|2,0,1]=4 4140 B14R0.337 COC(=O)CCCCCCCOCC=O 34a_100011022521_200009817547 [0,1,0,0,0,0|2,0,1]=4 4141 B14R0.337 COC(=O)CCCCCCCOCC=O 7a_100011022521_200015260668 [0,1,0,0,0,0|2,0,1]=4 4142 B14R0.337 COC(=O)CCCCCCCSCC=O 62a_100010004213_200015260668 [0,1,0,0,0,0|2,0,1]=4 4143 B14R0.337 COC(=O)CCCCCCCSCC=O 62a_200015260668_100010004213 [0,1,0,0,0,0|2,0,1]=4 4144 B14R0.337 COC(=O)CCCCCOCCCC=O 7a_100000074720_200011292268 [0,1,0,0,0,0|2,0,1]=4 4145 B14R0.337 COC(=O)CCCCCSCCCC=O 62a_100009816466_200011292268 [0,1,0,0,0,0|2,0,1]=4 4146 B14R0.337 COC(=O)CCCCCSCCCC=O 62a_200011292268_100009816466 [0,1,0,0,0,0|2,0,1]=4 4147 B14R0.337 COC(=O)CCCCOCCCCC=O 7a_100000059025_100000139335 [0,1,0,0,0,0|2,0,1]=4 4148 B14R0.337 COC(=O)CCCCSCCCCC=O 62a_100000139335_100000204269 [0,1,0,0,0,0|2,0,1]=4 4149 B14R0.337 COC(=O)CCCCSCCCCC=O 62a_100000204269_100000139335 [0,1,0,0,0,0|2,0,1]=4 4150 B14R0.337 COC(=O)CCCSCCCCCC=O 62a_100000139337_100011218270 [0,1,0,0,0,0|2,0,1]=4 4151 B14R0.337 COC(=O)CCCSCCCCCC=O 62a_100011218270_100000139337 [0,1,0,0,0,0|2,0,1]=4 4152 B14R0.392 C#CCCCCCCCCCCOCC 34a_100000054667_100000210202 [0,1,0,0,0,0|1,0,1]=3 4153 B14R0.392 C#CCCCCCCCCCCOCC 7a_100000054667_100000210202 [0,1,0,0,0,0|1,0,1]=3 4154 B14R0.392 C#CCCCCCCCCCCOCF 34a_100000054667_100015361967 [0,1,0,0,0,0|2,0,1]=4 4155 B14R0.392 C#CCCCCCCCCCCOCF 7a_100000054667_100015361967 [0,1,0,0,0,0|2,0,1]=4 4156 B14R0.392 C#CCCCCCCCCCOCC=C 34a_100000034437_100015514636 [0,1,0,0,0,0|1,0,2]=4 4157 B14R0.392 C#CCCCCCCCCCOCC=C 7a_100000034437_100015514636 [0,1,0,0,0,0|1,0,2]=4 4158 B14R0.392 C#CCCCCCCCCCOCC=O 34a_100000034437_200009817547 [0,1,0,0,0,0|0,0,2]=3 4159 B14R0.392 C#CCCCCCCCCCOCC=O 7a_100000034437_200015260668 [0,1,0,0,0,0|0,0,2]=3 4160 B14R0.392 C#CCCCCCCCCCOCCC 34a_100000034437_100000210303 [0,1,0,0,0,0|1,0,1]=3 4161 B14R0.392 C#CCCCCCCCCCOCCC 7a_100000034437_100000210303 [0,1,0,0,0,0|1,0,1]=3 4162 B14R0.392 C#CCCCCCCCCCOCCF 34a_100000034437_100011217306 [0,1,0,0,0,0|2,0,1]=4 4163 B14R0.392 C#CCCCCCCCCCOCCF 7a_100000034437_100011217306 [0,1,0,0,0,0|2,0,1]=4 4164 B14R0.392 C#CCCCCCCCCCOCCO 34a_100000034437_100000211926 [0,1,0,0,0,0|2,0,1]=4 4165 B14R0.392 C#CCCCCCCCCCOCCO 7a_100000034437_100000211926 [0,1,0,0,0,0|2,0,1]=4 4166 B14R0.392 C#CCCCCCCCCCOCSC 34a_100000034437_100011218213 [0,1,0,0,0,0|2,0,1]=4 4167 B14R0.392 C#CCCCCCCCCOCCC=C 34a_100000065265_100000754431 [0,1,0,0,0,0|1,0,2]=4 4168 B14R0.392 C#CCCCCCCCCOCCC=C 7a_100000065265_100000754431 [0,1,0,0,0,0|1,0,2]=4 4169 B14R0.392 C#CCCCCCCCCOCCCC 34a_100000065265_100000210210 [0,1,0,0,0,0|1,0,1]=3 4170 B14R0.392 C#CCCCCCCCCOCCCC 7a_100000065265_100000210211 [0,1,0,0,0,0|1,0,1]=3 4171 B14R0.392 C#CCCCCCCCCOCCCF 34a_100000065265_100011934791 [0,1,0,0,0,0|2,0,1]=4 4172 B14R0.392 C#CCCCCCCCCOCCCF 7a_100000065265_100011934791 [0,1,0,0,0,0|2,0,1]=4 4173 B14R0.392 C#CCCCCCCCCOCCCO 34a_100000065265_100000230001 [0,1,0,0,0,0|2,0,1]=4 4174 B14R0.392 C#CCCCCCCCCOCCCO 7a_100000065265_100011215043 [0,1,0,0,0,0|2,0,1]=4 4175 B14R0.392 C#CCCCCCCCCOCCOC 34a_100000065265_100011201679 [0,1,0,0,0,0|2,0,1]=4 4176 B14R0.392 C#CCCCCCCCCOCCOC 7a_100000065265_100000233755 [0,1,0,0,0,0|2,0,1]=4 4177 B14R0.392 C#CCCCCCCCCOCCSC 34a_100000065265_100000212216 [0,1,0,0,0,0|2,0,1]=4 4178 B14R0.392 C#CCCCCCCCCOCCSC 7a_100000065265_100000212216 [0,1,0,0,0,0|2,0,1]=4 4179 B14R0.392 C#CCCCCCCCNCCCC=C 2230a_100000700776_100153394163 [0,1,0,0,0,0|1,0,2]=4 4180 B14R0.392 C#CCCCCCCCNCCCC=C 34a_100000700776_100153394163 [0,1,0,0,0,0|1,0,2]=4 4181 B14R0.392 C#CCCCCCCCNCCCCC 2230a_100000209983_100153394163 [0,1,0,0,0,0|1,0,1]=3 4182 B14R0.392 C#CCCCCCCCNCCCCO 2230a_100000750430_100153394163 [0,1,0,0,0,0|2,0,1]=4 4183 B14R0.392 C#CCCCCCCCNCCCCO 34a_100000750430_100153394163 [0,1,0,0,0,0|2,0,1]=4 4184 B14R0.392 C#CCCCCCCCNCCCOC 34a_100150723488_100153394163 [0,1,0,0,0,0|2,0,1]=4 4185 B14R0.392 C#CCCCCCCCNCCCSC 2230a_100000749238_100153394163 [0,1,0,0,0,0|2,0,1]=4 4186 B14R0.392 C#CCCCCCCCNCCOCC 2230a_102516460346_100153394163 [0,1,0,0,0,0|2,0,1]=4 4187 B14R0.392 C#CCCCCCCCNCCOCC 34a_102516460346_100153394163 [0,1,0,0,0,0|2,0,1]=4 4188 B14R0.392 C#CCCCCCCCNCCSCC 2230a_100000106463_100153394163 [0,1,0,0,0,0|2,0,1]=4 4189 B14R0.392 C#CCCCCCCCOCCCC=C 34a_100000054614_100000757094 [0,1,0,0,0,0|1,0,2]=4 4190 B14R0.392 C#CCCCCCCCOCCCC=C 34a_100000758997_100153394163 [0,1,0,0,0,0|1,0,2]=4 4191 B14R0.392 C#CCCCCCCCOCCCC=C 7a_100000054614_100000757094 [0,1,0,0,0,0|1,0,2]=4 4192 B14R0.392 C#CCCCCCCCOCCCC=C 7a_100000758997_100153394163 [0,1,0,0,0,0|1,0,2]=4 4193 B14R0.392 C#CCCCCCCCOCCCC=O 7a_100000054614_200011292268 [0,1,0,0,0,0|0,0,2]=3 4194 B14R0.392 C#CCCCCCCCOCCCCBr 34a_100011216708_100153394163 [0,1,0,0,0,0|2,0,1]=4 4195 B14R0.392 C#CCCCCCCCOCCCCC 34a_100000054614_100000718602 [0,1,0,0,0,0|1,0,1]=3 4196 B14R0.392 C#CCCCCCCCOCCCCC 34a_100000210253_100153394163 [0,1,0,0,0,0|1,0,1]=3 4197 B14R0.392 C#CCCCCCCCOCCCCC 7a_100000054614_100000210326 [0,1,0,0,0,0|1,0,1]=3 4198 B14R0.392 C#CCCCCCCCOCCCCC 7a_100000210253_100153394163 [0,1,0,0,0,0|1,0,1]=3 4199 B14R0.392 C#CCCCCCCCOCCCCCl 34a_100000210776_100153394163 [0,1,0,0,0,0|2,0,1]=4 4200 B14R0.392 C#CCCCCCCCOCCCCCl 7a_100000210776_100153394163 [0,1,0,0,0,0|2,0,1]=4 4201 B14R0.392 C#CCCCCCCCOCCCCF 34a_100000054614_100000729493 [0,1,0,0,0,0|2,0,1]=4 4202 B14R0.392 C#CCCCCCCCOCCCCF 34a_100011995726_100153394163 [0,1,0,0,0,0|2,0,1]=4 4203 B14R0.392 C#CCCCCCCCOCCCCF 7a_100000054614_100000729493 [0,1,0,0,0,0|2,0,1]=4 4204 B14R0.392 C#CCCCCCCCOCCCCF 7a_100011995726_100153394163 [0,1,0,0,0,0|2,0,1]=4 4205 B14R0.392 C#CCCCCCCCOCCCCI 34a_200012148704_100153394163 [0,1,0,0,0,0|2,0,1]=4 4206 B14R0.392 C#CCCCCCCCOCCCCN 34a_100000750430_100153394163 [0,1,0,0,0,0|2,0,1]=4 4207 B14R0.392 C#CCCCCCCCOCCCCO 34a_100000054614_100011216708 [0,1,0,0,0,0|2,0,1]=4 4208 B14R0.392 C#CCCCCCCCOCCCCO 7a_100000054614_100000210776 [0,1,0,0,0,0|2,0,1]=4 4209 B14R0.392 C#CCCCCCCCOCCCNC 34a_100000213112_100153394163 [0,1,0,0,0,0|2,0,1]=4 4210 B14R0.392 C#CCCCCCCCOCCCOC 34a_100000054614_100000740836 [0,1,0,0,0,0|2,0,1]=4 4211 B14R0.392 C#CCCCCCCCOCCCOC 34a_100000740835_100153394163 [0,1,0,0,0,0|2,0,1]=4 4212 B14R0.392 C#CCCCCCCCOCCCOC 7a_100000054614_100000740836 [0,1,0,0,0,0|2,0,1]=4 4213 B14R0.392 C#CCCCCCCCOCCCSC 34a_100000690336_100153394163 [0,1,0,0,0,0|2,0,1]=4 4214 B14R0.392 C#CCCCCCCCOCCCSC 7a_100000690336_100153394163 [0,1,0,0,0,0|2,0,1]=4 4215 B14R0.392 C#CCCCCCCCOCCOCC 34a_100000054614_100000210147 [0,1,0,0,0,0|2,0,1]=4 4216 B14R0.392 C#CCCCCCCCOCCOCC 34a_100000210136_100153394163 [0,1,0,0,0,0|2,0,1]=4 4217 B14R0.392 C#CCCCCCCCOCCOCC 7a_100000054614_100011215890 [0,1,0,0,0,0|2,0,1]=4 4218 B14R0.392 C#CCCCCCCCOCCOCC 7a_100000210136_100153394163 [0,1,0,0,0,0|2,0,1]=4 4219 B14R0.392 C#CCCCCCCCOCCSCC 34a_100000054614_100000757381 [0,1,0,0,0,0|2,0,1]=4 4220 B14R0.392 C#CCCCCCCCOCCSCC 34a_100000212035_100153394163 [0,1,0,0,0,0|2,0,1]=4 4221 B14R0.392 C#CCCCCCCCOCCSCC 7a_100000054614_100000757381 [0,1,0,0,0,0|2,0,1]=4 4222 B14R0.392 C#CCCCCCCCOCCSCC 7a_100000212035_100153394163 [0,1,0,0,0,0|2,0,1]=4 4223 B14R0.392 C#CCCCCCCCSCCCC=C 62a_100011713584_100153394163 [0,1,0,0,0,0|1,0,2]=4 4224 B14R0.392 C#CCCCCCCCSCCCC=C 62a_100153394163_100000757094 [0,1,0,0,0,0|1,0,2]=4 4225 B14R0.392 C#CCCCCCCCSCCCC=O 62a_100153394163_200011292268 [0,1,0,0,0,0|0,0,2]=3 4226 B14R0.392 C#CCCCCCCCSCCCC=O 62a_200011292268_100153394163 [0,1,0,0,0,0|0,0,2]=3 4227 B14R0.392 C#CCCCCCCCSCCCCC 62a_100000210326_100153394163 [0,1,0,0,0,0|1,0,1]=3 4228 B14R0.392 C#CCCCCCCCSCCCCC 62a_100153394163_100000210326 [0,1,0,0,0,0|1,0,1]=3 4229 B14R0.392 C#CCCCCCCCSCCCCF 62a_100000729493_100153394163 [0,1,0,0,0,0|2,0,1]=4 4230 B14R0.392 C#CCCCCCCCSCCCCF 62a_100153394163_100000729493 [0,1,0,0,0,0|2,0,1]=4 4231 B14R0.392 C#CCCCCCCCSCCCCO 62a_100000210776_100153394163 [0,1,0,0,0,0|2,0,1]=4 4232 B14R0.392 C#CCCCCCCCSCCCCO 62a_100153394163_100000210776 [0,1,0,0,0,0|2,0,1]=4 4233 B14R0.392 C#CCCCCCCCSCCCOC 62a_100000709357_100153394163 [0,1,0,0,0,0|2,0,1]=4 4234 B14R0.392 C#CCCCCCCCSCCCOC 62a_100153394163_100000709357 [0,1,0,0,0,0|2,0,1]=4 4235 B14R0.392 C#CCCCCCCCSCCOCC 62a_100000210147_100153394163 [0,1,0,0,0,0|2,0,1]=4 4236 B14R0.392 C#CCCCCCCCSCCOCC 62a_100153394163_100011215890 [0,1,0,0,0,0|2,0,1]=4 4237 B14R0.392 C#CCCCCCCCSCCSCC 62a_100000757381_100153394163 [0,1,0,0,0,0|2,0,1]=4 4238 B14R0.392 C#CCCCCCCCSCCSCC 62a_100153394163_100000757381 [0,1,0,0,0,0|2,0,1]=4 4239 B14R0.392 C#CCCCCCCNCCCCC=C 2230a_100000703577_100012276617 [0,1,0,0,0,0|1,0,2]=4 4240 B14R0.392 C#CCCCCCCNCCCCC=C 34a_100000703577_100012276617 [0,1,0,0,0,0|1,0,2]=4 4241 B14R0.392 C#CCCCCCCNCCCCCC 2230a_100000210581_100012276617 [0,1,0,0,0,0|1,0,1]=3 4242 B14R0.392 C#CCCCCCCNCCCCCO 2230a_100000762737_100012276617 [0,1,0,0,0,0|2,0,1]=4 4243 B14R0.392 C#CCCCCCCNCCCCCO 34a_100000762737_100012276617 [0,1,0,0,0,0|2,0,1]=4 4244 B14R0.392 C#CCCCCCCNCCCOCC 2230a_100000210961_100012276617 [0,1,0,0,0,0|2,0,1]=4 4245 B14R0.392 C#CCCCCCCNCCCOCC 34a_100000210961_100012276617 [0,1,0,0,0,0|2,0,1]=4 4246 B14R0.392 C#CCCCCCCNCCOCCC 2230a_100161115042_100012276617 [0,1,0,0,0,0|2,0,1]=4 4247 B14R0.392 C#CCCCCCCNCCOCCC 34a_100161115042_100012276617 [0,1,0,0,0,0|2,0,1]=4 4248 B14R0.392 C#CCCCCCCNCCSCCC 2230a_100020603323_100012276617 [0,1,0,0,0,0|2,0,1]=4 4249 B14R0.392 C#CCCCCCCOCCCCC=C 34a_100000766645_100012276617 [0,1,0,0,0,0|1,0,2]=4 4250 B14R0.392 C#CCCCCCCOCCCCC=C 34a_100011217361_100011215482 [0,1,0,0,0,0|1,0,2]=4 4251 B14R0.392 C#CCCCCCCOCCCCC=C 7a_100000766645_100012276617 [0,1,0,0,0,0|1,0,2]=4 4252 B14R0.392 C#CCCCCCCOCCCCC=C 7a_100011217361_100011215482 [0,1,0,0,0,0|1,0,2]=4 4253 B14R0.392 C#CCCCCCCOCCCCC=O 7a_100011217361_100000139335 [0,1,0,0,0,0|0,0,2]=3 4254 B14R0.392 C#CCCCCCCOCCCCCBr 34a_100000746331_100012276617 [0,1,0,0,0,0|2,0,1]=4 4255 B14R0.392 C#CCCCCCCOCCCCCBr 7a_100000746331_100012276617 [0,1,0,0,0,0|2,0,1]=4 4256 B14R0.392 C#CCCCCCCOCCCCCC 34a_100000210259_100012276617 [0,1,0,0,0,0|1,0,1]=3 4257 B14R0.392 C#CCCCCCCOCCCCCC 34a_100011217361_100000210314 [0,1,0,0,0,0|1,0,1]=3 4258 B14R0.392 C#CCCCCCCOCCCCCC 7a_100000210259_100012276617 [0,1,0,0,0,0|1,0,1]=3 4259 B14R0.392 C#CCCCCCCOCCCCCC 7a_100011217361_100000210314 [0,1,0,0,0,0|1,0,1]=3 4260 B14R0.392 C#CCCCCCCOCCCCCCl 34a_100000746330_100012276617 [0,1,0,0,0,0|2,0,1]=4 4261 B14R0.392 C#CCCCCCCOCCCCCCl 7a_100000746330_100012276617 [0,1,0,0,0,0|2,0,1]=4 4262 B14R0.392 C#CCCCCCCOCCCCCF 34a_100011217361_100000729378 [0,1,0,0,0,0|2,0,1]=4 4263 B14R0.392 C#CCCCCCCOCCCCCF 7a_100011217361_100000729378 [0,1,0,0,0,0|2,0,1]=4 4264 B14R0.392 C#CCCCCCCOCCCCCI 34a_200012148887_100012276617 [0,1,0,0,0,0|2,0,1]=4 4265 B14R0.392 C#CCCCCCCOCCCCCI 7a_200012148887_100012276617 [0,1,0,0,0,0|2,0,1]=4 4266 B14R0.392 C#CCCCCCCOCCCCCN 34a_100000762737_100012276617 [0,1,0,0,0,0|2,0,1]=4 4267 B14R0.392 C#CCCCCCCOCCCCCO 34a_100011217361_100000746330 [0,1,0,0,0,0|2,0,1]=4 4268 B14R0.392 C#CCCCCCCOCCCCCO 7a_100011217361_100000746330 [0,1,0,0,0,0|2,0,1]=4 4269 B14R0.392 C#CCCCCCCOCCCCOC 34a_100000740925_100012276617 [0,1,0,0,0,0|2,0,1]=4 4270 B14R0.392 C#CCCCCCCOCCCCOC 34a_100011217361_100000755781 [0,1,0,0,0,0|2,0,1]=4 4271 B14R0.392 C#CCCCCCCOCCCCOC 7a_100011217361_100000730899 [0,1,0,0,0,0|2,0,1]=4 4272 B14R0.392 C#CCCCCCCOCCCCSC 34a_100011217163_100012276617 [0,1,0,0,0,0|2,0,1]=4 4273 B14R0.392 C#CCCCCCCOCCCCSC 7a_100011217163_100012276617 [0,1,0,0,0,0|2,0,1]=4 4274 B14R0.392 C#CCCCCCCOCCCOCC 34a_100000757476_100012276617 [0,1,0,0,0,0|2,0,1]=4 4275 B14R0.392 C#CCCCCCCOCCCOCC 34a_100011217361_100012232248 [0,1,0,0,0,0|2,0,1]=4 4276 B14R0.392 C#CCCCCCCOCCCOCC 7a_100000757476_100012276617 [0,1,0,0,0,0|2,0,1]=4 4277 B14R0.392 C#CCCCCCCOCCCOCC 7a_100011217361_100012232248 [0,1,0,0,0,0|2,0,1]=4 4278 B14R0.392 C#CCCCCCCOCCCSCC 34a_100011216438_100012276617 [0,1,0,0,0,0|2,0,1]=4 4279 B14R0.392 C#CCCCCCCOCCCSCC 7a_100011216438_100012276617 [0,1,0,0,0,0|2,0,1]=4 4280 B14R0.392 C#CCCCCCCOCCOCCC 34a_100000752267_100012276617 [0,1,0,0,0,0|2,0,1]=4 4281 B14R0.392 C#CCCCCCCOCCOCCC 34a_100011217361_100011215938 [0,1,0,0,0,0|2,0,1]=4 4282 B14R0.392 C#CCCCCCCOCCOCCC 7a_100000752267_100012276617 [0,1,0,0,0,0|2,0,1]=4 4283 B14R0.392 C#CCCCCCCOCCOCCC 7a_100011217361_100011215938 [0,1,0,0,0,0|2,0,1]=4 4284 B14R0.392 C#CCCCCCCOCCSCCC 34a_200000230433_100012276617 [0,1,0,0,0,0|2,0,1]=4 4285 B14R0.392 C#CCCCCCCOCCSCCC 7a_200000230433_100012276617 [0,1,0,0,0,0|2,0,1]=4 4286 B14R0.392 C#CCCCCCCOCOCCCC 34a_100011217361_100011995733 [0,1,0,0,0,0|2,0,1]=4 4287 B14R0.392 C#CCCCCCCSCCCCC=C 62a_100011215482_100012276617 [0,1,0,0,0,0|1,0,2]=4 4288 B14R0.392 C#CCCCCCCSCCCCC=C 62a_100012276617_100011215482 [0,1,0,0,0,0|1,0,2]=4 4289 B14R0.392 C#CCCCCCCSCCCCC=O 62a_100000139335_100012276617 [0,1,0,0,0,0|0,0,2]=3 4290 B14R0.392 C#CCCCCCCSCCCCC=O 62a_100012276617_100000139335 [0,1,0,0,0,0|0,0,2]=3 4291 B14R0.392 C#CCCCCCCSCCCCCC 62a_100000210314_100012276617 [0,1,0,0,0,0|1,0,1]=3 4292 B14R0.392 C#CCCCCCCSCCCCCC 62a_100012276617_100000210757 [0,1,0,0,0,0|1,0,1]=3 4293 B14R0.392 C#CCCCCCCSCCCCCF 62a_100000729378_100012276617 [0,1,0,0,0,0|2,0,1]=4 4294 B14R0.392 C#CCCCCCCSCCCCCF 62a_100012276617_100000729378 [0,1,0,0,0,0|2,0,1]=4 4295 B14R0.392 C#CCCCCCCSCCCCCO 62a_100000746330_100012276617 [0,1,0,0,0,0|2,0,1]=4 4296 B14R0.392 C#CCCCCCCSCCCCCO 62a_100012276617_100000746330 [0,1,0,0,0,0|2,0,1]=4 4297 B14R0.392 C#CCCCCCCSCCCCOC 62a_100000730899_100012276617 [0,1,0,0,0,0|2,0,1]=4 4298 B14R0.392 C#CCCCCCCSCCCCOC 62a_100012276617_100000730899 [0,1,0,0,0,0|2,0,1]=4 4299 B14R0.392 C#CCCCCCCSCCCOCC 62a_100012232248_100012276617 [0,1,0,0,0,0|2,0,1]=4 4300 B14R0.392 C#CCCCCCCSCCCOCC 62a_100012276617_100012232248 [0,1,0,0,0,0|2,0,1]=4 4301 B14R0.392 C#CCCCCCCSCCOCCC 62a_100011215938_100012276617 [0,1,0,0,0,0|2,0,1]=4 4302 B14R0.392 C#CCCCCCCSCCOCCC 62a_100012276617_100011215938 [0,1,0,0,0,0|2,0,1]=4 4303 B14R0.392 C#CCCCCCCSCOCCCC 62a_100011995733_100012276617 [0,1,0,0,0,0|2,0,1]=4 4304 B14R0.392 C#CCCCCCCSCOCCCC 62a_100012276617_100011995733 [0,1,0,0,0,0|2,0,1]=4 4305 B14R0.392 C#CCCCCCNCCCCCCC 2230a_100000229938_100012094781 [0,1,0,0,0,0|1,0,1]=3 4306 B14R0.392 C#CCCCCCNCCCCCCO 2230a_100000686447_100012094781 [0,1,0,0,0,0|2,0,1]=4 4307 B14R0.392 C#CCCCCCNCCCCCCO 34a_100000686447_100012094781 [0,1,0,0,0,0|2,0,1]=4 4308 B14R0.392 C#CCCCCCNCCCCCOC 2230a_100000747528_100012094781 [0,1,0,0,0,0|2,0,1]=4 4309 B14R0.392 C#CCCCCCNCCCCCOC 34a_100000747528_100012094781 [0,1,0,0,0,0|2,0,1]=4 4310 B14R0.392 C#CCCCCCNCCCOCCC 2230a_100011217757_100012094781 [0,1,0,0,0,0|2,0,1]=4 4311 B14R0.392 C#CCCCCCNCCCOCCC 34a_100011217757_100012094781 [0,1,0,0,0,0|2,0,1]=4 4312 B14R0.392 C#CCCCCCNCCSCCCC 2230a_100025743550_100012094781 [0,1,0,0,0,0|2,0,1]=4 4313 B14R0.392 C#CCCCCCOCCCCCC=C 34a_100000766912_100000700193 [0,1,0,0,0,0|1,0,2]=4 4314 B14R0.392 C#CCCCCCOCCCCCC=C 34a_100011216702_100012094781 [0,1,0,0,0,0|1,0,2]=4 4315 B14R0.392 C#CCCCCCOCCCCCC=C 7a_100000766912_100000700193 [0,1,0,0,0,0|1,0,2]=4 4316 B14R0.392 C#CCCCCCOCCCCCC=C 7a_100011216702_100012094781 [0,1,0,0,0,0|1,0,2]=4 4317 B14R0.392 C#CCCCCCOCCCCCC=O 7a_100000766912_100000139337 [0,1,0,0,0,0|0,0,2]=3 4318 B14R0.392 C#CCCCCCOCCCCCCBr 34a_100011215345_100012094781 [0,1,0,0,0,0|2,0,1]=4 4319 B14R0.392 C#CCCCCCOCCCCCCBr 7a_100011215345_100012094781 [0,1,0,0,0,0|2,0,1]=4 4320 B14R0.392 C#CCCCCCOCCCCCCC 34a_100000210272_100012094781 [0,1,0,0,0,0|1,0,1]=3 4321 B14R0.392 C#CCCCCCOCCCCCCC 34a_100000766912_100000210614 [0,1,0,0,0,0|1,0,1]=3 4322 B14R0.392 C#CCCCCCOCCCCCCC 7a_100000210272_100012094781 [0,1,0,0,0,0|1,0,1]=3 4323 B14R0.392 C#CCCCCCOCCCCCCC 7a_100000766912_100000210614 [0,1,0,0,0,0|1,0,1]=3 4324 B14R0.392 C#CCCCCCOCCCCCCCl 34a_100000766143_100012094781 [0,1,0,0,0,0|2,0,1]=4 4325 B14R0.392 C#CCCCCCOCCCCCCCl 7a_100000766143_100012094781 [0,1,0,0,0,0|2,0,1]=4 4326 B14R0.392 C#CCCCCCOCCCCCCF 34a_100000732779_100012094781 [0,1,0,0,0,0|2,0,1]=4 4327 B14R0.392 C#CCCCCCOCCCCCCF 34a_100000766912_100015922095 [0,1,0,0,0,0|2,0,1]=4 4328 B14R0.392 C#CCCCCCOCCCCCCF 7a_100000732779_100012094781 [0,1,0,0,0,0|2,0,1]=4 4329 B14R0.392 C#CCCCCCOCCCCCCF 7a_100000766912_100015922095 [0,1,0,0,0,0|2,0,1]=4 4330 B14R0.392 C#CCCCCCOCCCCCCN 34a_100000686447_100012094781 [0,1,0,0,0,0|2,0,1]=4 4331 B14R0.392 C#CCCCCCOCCCCCCO 34a_100000766912_100000766143 [0,1,0,0,0,0|2,0,1]=4 4332 B14R0.392 C#CCCCCCOCCCCCCO 7a_100000766912_100000766143 [0,1,0,0,0,0|2,0,1]=4 4333 B14R0.392 C#CCCCCCOCCCCCNC 34a_100000722520_100012094781 [0,1,0,0,0,0|2,0,1]=4 4334 B14R0.392 C#CCCCCCOCCOCCCC 34a_100000210238_100012094781 [0,1,0,0,0,0|2,0,1]=4 4335 B14R0.392 C#CCCCCCOCCOCCCC 34a_100000766912_100000743108 [0,1,0,0,0,0|2,0,1]=4 4336 B14R0.392 C#CCCCCCOCCOCCCC 7a_100000210238_100012094781 [0,1,0,0,0,0|2,0,1]=4 4337 B14R0.392 C#CCCCCCOCCOCCCC 7a_100000766912_100000743108 [0,1,0,0,0,0|2,0,1]=4 4338 B14R0.392 C#CCCCCCOCCSCCCC 34a_200000230436_100012094781 [0,1,0,0,0,0|2,0,1]=4 4339 B14R0.392 C#CCCCCCOCCSCCCC 7a_200000230436_100012094781 [0,1,0,0,0,0|2,0,1]=4 4340 B14R0.392 C#CCCCCCSCCCCCC=C 62a_100000700193_100012094781 [0,1,0,0,0,0|1,0,2]=4 4341 B14R0.392 C#CCCCCCSCCCCCC=C 62a_100012094781_100000700193 [0,1,0,0,0,0|1,0,2]=4 4342 B14R0.392 C#CCCCCCSCCCCCC=O 62a_100000139337_100012094781 [0,1,0,0,0,0|0,0,2]=3 4343 B14R0.392 C#CCCCCCSCCCCCC=O 62a_100012094781_100000139337 [0,1,0,0,0,0|0,0,2]=3 4344 B14R0.392 C#CCCCCCSCCCCCCC 62a_100000210614_100012094781 [0,1,0,0,0,0|1,0,1]=3 4345 B14R0.392 C#CCCCCCSCCCCCCC 62a_100012094781_100000210316 [0,1,0,0,0,0|1,0,1]=3 4346 B14R0.392 C#CCCCCCSCCCCCCF 62a_100012094781_100015922095 [0,1,0,0,0,0|2,0,1]=4 4347 B14R0.392 C#CCCCCCSCCCCCCF 62a_100015922095_100012094781 [0,1,0,0,0,0|2,0,1]=4 4348 B14R0.392 C#CCCCCCSCCCCCCO 62a_100000766143_100012094781 [0,1,0,0,0,0|2,0,1]=4 4349 B14R0.392 C#CCCCCCSCCCCCCO 62a_100012094781_100000766143 [0,1,0,0,0,0|2,0,1]=4 4350 B14R0.392 C#CCCCCCSCCOCCCC 62a_100000743108_100012094781 [0,1,0,0,0,0|2,0,1]=4 4351 B14R0.392 C#CCCCCCSCCOCCCC 62a_100012094781_100000743108 [0,1,0,0,0,0|2,0,1]=4 4352 B14R0.392 C#CCCCCNCCCCCCC=C 2230a_100000706060_100011215473 [0,1,0,0,0,0|1,0,2]=4 4353 B14R0.392 C#CCCCCNCCCCCCC=C 34a_100000706060_100011215473 [0,1,0,0,0,0|1,0,2]=4 4354 B14R0.392 C#CCCCCNCCCCCCCC 2230a_100000229939_100010269958 [0,1,0,0,0,0|1,0,1]=3 4355 B14R0.392 C#CCCCCNCCCCCCCC 2230a_100000706060_100000210759 [0,1,0,0,0,0|1,0,1]=3 4356 B14R0.392 C#CCCCCNCCCCCCCC 34a_100000229939_100010269958 [0,1,0,0,0,0|1,0,1]=3 4357 B14R0.392 C#CCCCCNCCCCCCCC 34a_100000706060_100000210759 [0,1,0,0,0,0|1,0,1]=3 4358 B14R0.392 C#CCCCCNCCCCCCCO 2230a_100000706060_100000760002 [0,1,0,0,0,0|2,0,1]=4 4359 B14R0.392 C#CCCCCNCCCCCCCO 2230a_100011996573_100010269958 [0,1,0,0,0,0|2,0,1]=4 4360 B14R0.392 C#CCCCCNCCCCCCCO 34a_100000706060_100000760002 [0,1,0,0,0,0|2,0,1]=4 4361 B14R0.392 C#CCCCCNCCCCCCCO 34a_100011996573_100010269958 [0,1,0,0,0,0|2,0,1]=4 4362 B14R0.392 C#CCCCCNCCCCCCOC 2230a_100000706060_100011998445 [0,1,0,0,0,0|2,0,1]=4 4363 B14R0.392 C#CCCCCNCCCCCCOC 34a_100000706060_100011998445 [0,1,0,0,0,0|2,0,1]=4 4364 B14R0.392 C#CCCCCNCCCOCCCC 2230a_200000211371_100010269958 [0,1,0,0,0,0|2,0,1]=4 4365 B14R0.392 C#CCCCCNCCCOCCCC 34a_200000211371_100010269958 [0,1,0,0,0,0|2,0,1]=4 4366 B14R0.392 C#CCCCCOCCCCCCC=C 34a_100000766709_100011215473 [0,1,0,0,0,0|1,0,2]=4 4367 B14R0.392 C#CCCCCOCCCCCCC=C 34a_200011216477_100010269958 [0,1,0,0,0,0|1,0,2]=4 4368 B14R0.392 C#CCCCCOCCCCCCC=C 7a_100000766709_100011215473 [0,1,0,0,0,0|1,0,2]=4 4369 B14R0.392 C#CCCCCOCCCCCCC=C 7a_200011216477_100010269958 [0,1,0,0,0,0|1,0,2]=4 4370 B14R0.392 C#CCCCCOCCCCCCCBr 34a_100000760002_100010269958 [0,1,0,0,0,0|2,0,1]=4 4371 B14R0.392 C#CCCCCOCCCCCCCBr 7a_100000760002_100010269958 [0,1,0,0,0,0|2,0,1]=4 4372 B14R0.392 C#CCCCCOCCCCCCCC 34a_100000210232_100010269958 [0,1,0,0,0,0|1,0,1]=3 4373 B14R0.392 C#CCCCCOCCCCCCCC 34a_100000766709_100000210759 [0,1,0,0,0,0|1,0,1]=3 4374 B14R0.392 C#CCCCCOCCCCCCCC 7a_100000210232_100010269958 [0,1,0,0,0,0|1,0,1]=3 4375 B14R0.392 C#CCCCCOCCCCCCCC 7a_100000766709_100000210759 [0,1,0,0,0,0|1,0,1]=3 4376 B14R0.392 C#CCCCCOCCCCCCCN 34a_100011996573_100010269958 [0,1,0,0,0,0|2,0,1]=4 4377 B14R0.392 C#CCCCCOCCCCCCCO 34a_100000766709_100000760002 [0,1,0,0,0,0|2,0,1]=4 4378 B14R0.392 C#CCCCCOCCCCCCCO 7a_100000766709_100000760002 [0,1,0,0,0,0|2,0,1]=4 4379 B14R0.392 C#CCCCCOCCCCCCOC 34a_100000766709_100011998445 [0,1,0,0,0,0|2,0,1]=4 4380 B14R0.392 C#CCCCCOCCCCCCOC 34a_200012092642_100010269958 [0,1,0,0,0,0|2,0,1]=4 4381 B14R0.392 C#CCCCCOCCCCCCOC 7a_100000766709_100011998445 [0,1,0,0,0,0|2,0,1]=4 4382 B14R0.392 C#CCCCCOCCCCCCOC 7a_200012092642_100010269958 [0,1,0,0,0,0|2,0,1]=4 4383 B14R0.392 C#CCCCCOCCCOCCCC 34a_200011215613_100010269958 [0,1,0,0,0,0|2,0,1]=4 4384 B14R0.392 C#CCCCCOCCCOCCCC 7a_200011215613_100010269958 [0,1,0,0,0,0|2,0,1]=4 4385 B14R0.392 C#CCCCCOCCNCCCCC 34a_100000224656_100010269958 [0,1,0,0,0,0|2,0,1]=4 4386 B14R0.392 C#CCCCCOCCOCCCCC 34a_100011215259_100010269958 [0,1,0,0,0,0|2,0,1]=4 4387 B14R0.392 C#CCCCCOCCOCCCCC 7a_100011215259_100010269958 [0,1,0,0,0,0|2,0,1]=4 4388 B14R0.392 C#CCCCCSCCCCCCC=C 62a_100010269958_100011215473 [0,1,0,0,0,0|1,0,2]=4 4389 B14R0.392 C#CCCCCSCCCCCCC=C 62a_100011215473_100010269958 [0,1,0,0,0,0|1,0,2]=4 4390 B14R0.392 C#CCCCCSCCCCCCCC 62a_100000210759_100010269958 [0,1,0,0,0,0|1,0,1]=3 4391 B14R0.392 C#CCCCCSCCCCCCCC 62a_100010269958_100000210317 [0,1,0,0,0,0|1,0,1]=3 4392 B14R0.392 C#CCCCCSCCCCCCCO 62a_100000760002_100010269958 [0,1,0,0,0,0|2,0,1]=4 4393 B14R0.392 C#CCCCCSCCCCCCCO 62a_100010269958_100000760002 [0,1,0,0,0,0|2,0,1]=4 4394 B14R0.392 C#CCCCCSCCCCCCOC 62a_100010269958_100011998445 [0,1,0,0,0,0|2,0,1]=4 4395 B14R0.392 C#CCCCCSCCCCCCOC 62a_100011998445_100010269958 [0,1,0,0,0,0|2,0,1]=4 4396 B14R0.392 C#CCCCNCCCCCCCC=C 34a_100000718082_100012355270 [0,1,0,0,0,0|1,0,2]=4 4397 B14R0.392 C#CCCCNCCCCCCCCC 2230a_100000212291_100000731252 [0,1,0,0,0,0|1,0,1]=3 4398 B14R0.392 C#CCCCNCCCCCCCCC 34a_100000212291_100000695029 [0,1,0,0,0,0|1,0,1]=3 4399 B14R0.392 C#CCCCNCCCCCCCCC 34a_100000718082_100011214924 [0,1,0,0,0,0|1,0,1]=3 4400 B14R0.392 C#CCCCNCCCCCCCCO 2230a_102515433106_100000731252 [0,1,0,0,0,0|2,0,1]=4 4401 B14R0.392 C#CCCCNCCCCCCCCO 34a_100000718082_100000033203 [0,1,0,0,0,0|2,0,1]=4 4402 B14R0.392 C#CCCCNCCCCCCCCO 34a_102515433106_100000695029 [0,1,0,0,0,0|2,0,1]=4 4403 B14R0.392 C#CCCCOCCCCCCCC=C 34a_100000215630_100012355270 [0,1,0,0,0,0|1,0,2]=4 4404 B14R0.392 C#CCCCOCCCCCCCC=C 34a_100000730831_100000695029 [0,1,0,0,0,0|1,0,2]=4 4405 B14R0.392 C#CCCCOCCCCCCCC=C 7a_100000215630_100012355270 [0,1,0,0,0,0|1,0,2]=4 4406 B14R0.392 C#CCCCOCCCCCCCC=C 7a_100000730831_100011215417 [0,1,0,0,0,0|1,0,2]=4 4407 B14R0.392 C#CCCCOCCCCCCCCBr 34a_100009813846_100000695029 [0,1,0,0,0,0|2,0,1]=4 4408 B14R0.392 C#CCCCOCCCCCCCCBr 7a_100009813846_100011215417 [0,1,0,0,0,0|2,0,1]=4 4409 B14R0.392 C#CCCCOCCCCCCCCC 34a_100000210712_100000695029 [0,1,0,0,0,0|1,0,1]=3 4410 B14R0.392 C#CCCCOCCCCCCCCC 34a_100000215630_100011214924 [0,1,0,0,0,0|1,0,1]=3 4411 B14R0.392 C#CCCCOCCCCCCCCC 7a_100000210712_100011215417 [0,1,0,0,0,0|1,0,1]=3 4412 B14R0.392 C#CCCCOCCCCCCCCC 7a_100000215630_100000210328 [0,1,0,0,0,0|1,0,1]=3 4413 B14R0.392 C#CCCCOCCCCCCCCCl 34a_100000033203_100000695029 [0,1,0,0,0,0|2,0,1]=4 4414 B14R0.392 C#CCCCOCCCCCCCCCl 7a_100000033203_100011215417 [0,1,0,0,0,0|2,0,1]=4 4415 B14R0.392 C#CCCCOCCCCCCCCN 34a_102515433106_100000695029 [0,1,0,0,0,0|2,0,1]=4 4416 B14R0.392 C#CCCCOCCCCCCCCO 34a_100000215630_100000033203 [0,1,0,0,0,0|2,0,1]=4 4417 B14R0.392 C#CCCCOCCCCCCCCO 7a_100000215630_100000033203 [0,1,0,0,0,0|2,0,1]=4 4418 B14R0.392 C#CCCCOCCCCNCCCC 34a_200011216965_100000695029 [0,1,0,0,0,0|2,0,1]=4 4419 B14R0.392 C#CCCCOCCCCOCCCC 34a_200000760531_100000695029 [0,1,0,0,0,0|2,0,1]=4 4420 B14R0.392 C#CCCCOCCCCOCCCC 7a_200000760531_100011215417 [0,1,0,0,0,0|2,0,1]=4 4421 B14R0.392 C#CCCCOCCOCCCCCC 34a_100000691444_100000695029 [0,1,0,0,0,0|2,0,1]=4 4422 B14R0.392 C#CCCCOCCOCCCCCC 7a_100000691444_100011215417 [0,1,0,0,0,0|2,0,1]=4 4423 B14R0.392 C#CCCCSCCCCCCCC=C 62a_100011215417_100012355270 [0,1,0,0,0,0|1,0,2]=4 4424 B14R0.392 C#CCCCSCCCCCCCC=C 62a_100012355270_100011215417 [0,1,0,0,0,0|1,0,2]=4 4425 B14R0.392 C#CCCCSCCCCCCCCC 62a_100011215417_100000210670 [0,1,0,0,0,0|1,0,1]=3 4426 B14R0.392 C#CCCCSCCCCCCCCO 62a_100000033203_100011215417 [0,1,0,0,0,0|2,0,1]=4 4427 B14R0.392 C#CCCCSCCCCCCCCO 62a_100011215417_100000033203 [0,1,0,0,0,0|2,0,1]=4 4428 B14R0.392 C#CCCNCCCCCCCCC=C 34a_100000755551_100011933949 [0,1,0,0,0,0|1,0,2]=4 4429 B14R0.392 C#CCCNCCCCCCCCCC 2230a_100000684558_100000688953 [0,1,0,0,0,0|1,0,1]=3 4430 B14R0.392 C#CCCNCCCCCCCCCC 34a_100000684558_100000688953 [0,1,0,0,0,0|1,0,1]=3 4431 B14R0.392 C#CCCNCCCCCCCCCC 34a_100000755551_100000210320 [0,1,0,0,0,0|1,0,1]=3 4432 B14R0.392 C#CCCNCCCCCCCCCO 2230a_100000078944_100000688953 [0,1,0,0,0,0|2,0,1]=4 4433 B14R0.392 C#CCCNCCCCCCCCCO 34a_100000078944_100000688953 [0,1,0,0,0,0|2,0,1]=4 4434 B14R0.392 C#CCCNCCCCCCCCCO 34a_100000755551_100009813782 [0,1,0,0,0,0|2,0,1]=4 4435 B14R0.392 C#CCCOCCCCCCCCC=C 34a_100011215194_100000688953 [0,1,0,0,0,0|1,0,2]=4 4436 B14R0.392 C#CCCOCCCCCCCCC=C 34a_100011215631_100011933949 [0,1,0,0,0,0|1,0,2]=4 4437 B14R0.392 C#CCCOCCCCCCCCC=C 7a_100011215194_100000688953 [0,1,0,0,0,0|1,0,2]=4 4438 B14R0.392 C#CCCOCCCCCCCCCBr 34a_100009813782_100000688953 [0,1,0,0,0,0|2,0,1]=4 4439 B14R0.392 C#CCCOCCCCCCCCCBr 7a_100009813782_100000688953 [0,1,0,0,0,0|2,0,1]=4 4440 B14R0.392 C#CCCOCCCCCCCCCC 34a_100000210711_100000688953 [0,1,0,0,0,0|1,0,1]=3 4441 B14R0.392 C#CCCOCCCCCCCCCC 34a_100011215631_100000210320 [0,1,0,0,0,0|1,0,1]=3 4442 B14R0.392 C#CCCOCCCCCCCCCC 7a_100000210711_100000688953 [0,1,0,0,0,0|1,0,1]=3 4443 B14R0.392 C#CCCOCCCCCCCCCCl 34a_100009868337_100000688953 [0,1,0,0,0,0|2,0,1]=4 4444 B14R0.392 C#CCCOCCCCCCCCCCl 7a_100009868337_100000688953 [0,1,0,0,0,0|2,0,1]=4 4445 B14R0.392 C#CCCOCCCCCCCCCN 34a_100000078944_100000688953 [0,1,0,0,0,0|2,0,1]=4 4446 B14R0.392 C#CCCOCCCCCCCCCO 34a_100011215631_100009813782 [0,1,0,0,0,0|2,0,1]=4 4447 B14R0.392 C#CCCSCCCCCCCCC=C 62a_100000688953_100011933949 [0,1,0,0,0,0|1,0,2]=4 4448 B14R0.392 C#CCCSCCCCCCCCC=C 62a_100011933949_100000688953 [0,1,0,0,0,0|1,0,2]=4 4449 B14R0.392 C#CCCSCCCCCCCCCC 62a_100000688953_100000210320 [0,1,0,0,0,0|1,0,1]=3 4450 B14R0.392 C#CCCSCCCCCCCCCO 62a_100000688953_100009813782 [0,1,0,0,0,0|2,0,1]=4 4451 B14R0.392 C#CCCSCCCCCCCCCO 62a_100009813782_100000688953 [0,1,0,0,0,0|2,0,1]=4 4452 B14R0.392 C#CCNCCCCCCCCCC=C 2230a_100000081888_100000038162 [0,1,0,0,0,0|1,0,2]=4 4453 B14R0.392 C#CCNCCCCCCCCCC=C 34a_100000081888_100000184674 [0,1,0,0,0,0|1,0,2]=4 4454 B14R0.392 C#CCNCCCCCCCCCC=C 34a_100000212058_100009814027 [0,1,0,0,0,0|1,0,2]=4 4455 B14R0.392 C#CCNCCCCCCCCCCC 2230a_200011215754_100000038162 [0,1,0,0,0,0|1,0,1]=3 4456 B14R0.392 C#CCNCCCCCCCCCCC 34a_100000212058_100011215454 [0,1,0,0,0,0|1,0,1]=3 4457 B14R0.392 C#CCNCCCCCCCCCCC 34a_200011215754_100000184674 [0,1,0,0,0,0|1,0,1]=3 4458 B14R0.392 C#CCNCCCCCCCCCCO 2230a_100000066964_100000038162 [0,1,0,0,0,0|2,0,1]=4 4459 B14R0.392 C#CCNCCCCCCCCCCO 34a_100000066964_100000184674 [0,1,0,0,0,0|2,0,1]=4 4460 B14R0.392 C#CCNCCCCCCCCCCO 34a_100000212058_100009813290 [0,1,0,0,0,0|2,0,1]=4 4461 B14R0.392 C#CCOCCCCCCCCCC=C 34a_100000038209_100000184674 [0,1,0,0,0,0|1,0,2]=4 4462 B14R0.392 C#CCOCCCCCCCCCC=C 34a_100000210247_100009814027 [0,1,0,0,0,0|1,0,2]=4 4463 B14R0.392 C#CCOCCCCCCCCCC=C 7a_100000038209_100000038162 [0,1,0,0,0,0|1,0,2]=4 4464 B14R0.392 C#CCOCCCCCCCCCCBr 34a_100009813290_100000184674 [0,1,0,0,0,0|2,0,1]=4 4465 B14R0.392 C#CCOCCCCCCCCCCBr 7a_100009813290_100000038162 [0,1,0,0,0,0|2,0,1]=4 4466 B14R0.392 C#CCOCCCCCCCCCCC 34a_100000210247_100011215454 [0,1,0,0,0,0|1,0,1]=3 4467 B14R0.392 C#CCOCCCCCCCCCCC 34a_100000210809_100000184674 [0,1,0,0,0,0|1,0,1]=3 4468 B14R0.392 C#CCOCCCCCCCCCCC 7a_100000210809_100000038162 [0,1,0,0,0,0|1,0,1]=3 4469 B14R0.392 C#CCOCCCCCCCCCCCl 34a_200000033068_100000184674 [0,1,0,0,0,0|2,0,1]=4 4470 B14R0.392 C#CCOCCCCCCCCCCCl 7a_200000033068_100000038162 [0,1,0,0,0,0|2,0,1]=4 4471 B14R0.392 C#CCOCCCCCCCCCCN 34a_100000066964_100000184674 [0,1,0,0,0,0|2,0,1]=4 4472 B14R0.392 C#CCOCCCCCCCCCCO 34a_100000210247_100009813290 [0,1,0,0,0,0|2,0,1]=4 4473 B14R0.392 C#CCOCCCCCCOCCCC 34a_200011021349_100000210210 [0,1,0,0,0,0|2,0,1]=4 4474 B14R0.392 C#CCOCCCCCCOCCCC 7a_200011021349_100000210211 [0,1,0,0,0,0|2,0,1]=4 4475 B14R0.392 C#CCOCCNCCCCCCCC 2230a_100000229939_100010402529 [0,1,0,0,0,0|2,0,1]=4 4476 B14R0.392 C#CCOCCNCCCCCCCC 2230a_100000700922_100000210759 [0,1,0,0,0,0|2,0,1]=4 4477 B14R0.392 C#CCOCCNCCCCCCCC 34a_100000229939_100010402529 [0,1,0,0,0,0|2,0,1]=4 4478 B14R0.392 C#CCOCCNCCCCCCCC 34a_100000700922_100000210759 [0,1,0,0,0,0|2,0,1]=4 4479 B14R0.392 C#CCOCCOCCCCCCCC 34a_100000054580_100000210759 [0,1,0,0,0,0|2,0,1]=4 4480 B14R0.392 C#CCOCCOCCCCCCCC 34a_100000210232_100010402529 [0,1,0,0,0,0|2,0,1]=4 4481 B14R0.392 C#CCOCCOCCCCCCCC 7a_100000054580_100000210759 [0,1,0,0,0,0|2,0,1]=4 4482 B14R0.392 C#CCOCCOCCCCCCCC 7a_100000210232_100010402529 [0,1,0,0,0,0|2,0,1]=4 4483 B14R0.392 C#CCOCCSCCCCCCCC 62a_100000210759_100010402529 [0,1,0,0,0,0|2,0,1]=4 4484 B14R0.392 C#CCOCCSCCCCCCCC 62a_100010402529_100000210317 [0,1,0,0,0,0|2,0,1]=4 4485 B14R0.392 C#CCSCCCCCCCCCC=C 62a_100000038162_100009814027 [0,1,0,0,0,0|1,0,2]=4 4486 B14R0.392 C#CCSCCCCCCCCCCC 62a_100000038162_100011215454 [0,1,0,0,0,0|1,0,1]=3 4487 B14R0.392 C#CCSCCCCCCCCCCO 62a_100000038162_200000033068 [0,1,0,0,0,0|2,0,1]=4 4488 B14R0.392 C/C=C/CCOCCCCCCCCC 34a_100016278192_100011214924 [0,1,0,0,0,0|1,0,1]=3 4489 B14R0.392 C/C=C/CCOCCCCCCCCO 34a_100016278192_100000033203 [0,1,0,0,0,0|2,0,1]=4 4490 B14R0.392 C/C=C/CNCCCCCCCCCC 34a_100000684558_100102629194 [0,1,0,0,0,0|1,0,1]=3 4491 B14R0.392 C/C=C/CNCCCCCCCCCO 34a_100000078944_100102629194 [0,1,0,0,0,0|2,0,1]=4 4492 B14R0.392 C/C=C/COCCCCCCCCCBr 34a_100009813782_100102629194 [0,1,0,0,0,0|2,0,1]=4 4493 B14R0.392 C/C=C/COCCCCCCCCCBr 7a_100009813782_100102629194 [0,1,0,0,0,0|2,0,1]=4 4494 B14R0.392 C/C=C/COCCCCCCCCCC 34a_100000210711_100102629194 [0,1,0,0,0,0|1,0,1]=3 4495 B14R0.392 C/C=C/COCCCCCCCCCC 34a_100016270725_100000210320 [0,1,0,0,0,0|1,0,1]=3 4496 B14R0.392 C/C=C/COCCCCCCCCCC 7a_100000210711_100102629194 [0,1,0,0,0,0|1,0,1]=3 4497 B14R0.392 C/C=C/COCCCCCCCCCCl 34a_100009868337_100102629194 [0,1,0,0,0,0|2,0,1]=4 4498 B14R0.392 C/C=C/COCCCCCCCCCCl 7a_100009868337_100102629194 [0,1,0,0,0,0|2,0,1]=4 4499 B14R0.392 C/C=C/COCCCCCCCCCN 34a_100000078944_100102629194 [0,1,0,0,0,0|2,0,1]=4 4500 B14R0.392 C/C=C/COCCCCCCCCCO 34a_100016270725_100009813782 [0,1,0,0,0,0|2,0,1]=4 4501 B14R0.392 C/C=C/CSCCCCCCCCCC 62a_100102629194_100000210320 [0,1,0,0,0,0|1,0,1]=3 4502 B14R0.392 C/C=C/CSCCCCCCCCCO 62a_100009813782_100102629194 [0,1,0,0,0,0|2,0,1]=4 4503 B14R0.392 C/C=C/CSCCCCCCCCCO 62a_100102629194_100009813782 [0,1,0,0,0,0|2,0,1]=4 4504 B14R0.392 C=CCCC/C=C/COCCCCCC 34a_200016268473_100000210314 [0,1,0,0,0,0|1,0,2]=4 4505 B14R0.392 C=CCCC/C=C/COCCCCCC 7a_200016268473_100000210314 [0,1,0,0,0,0|1,0,2]=4 4506 B14R0.392 C=CCCCCCCCCC=NNCC 4a_100000756455_100000039675 [0,1,0,0,0,0|2,0,1]=4 4507 B14R0.392 C=CCCCCCCCCCCCNC 2230a_106832991635_102130925996 [0,1,0,0,0,0|1,0,0]=2 4508 B14R0.392 C=CCCCCCCCCCCCNC 34a_100102657272_102130925996 [0,1,0,0,0,0|1,0,0]=2 4509 B14R0.392 C=CCCCCCCCCCCCNC 7a_106832991635_102130925996 [0,1,0,0,0,0|1,0,0]=2 4510 B14R0.392 C=CCCCCCCCCCCCOC 34a_100138415774_102130925996 [0,1,0,0,0,0|1,0,0]=2 4511 B14R0.392 C=CCCCCCCCCCCCSC 62a_102130925996_200000210301 [0,1,0,0,0,0|1,0,0]=2 4512 B14R0.392 C=CCCCCCCCCCCCSC 62a_200000210301_102130925996 [0,1,0,0,0,0|1,0,0]=2 4513 B14R0.392 C=CCCCCCCCCCCCS[13CH3] 62a_102130925996_200025704644 [0,1,0,0,0,0|1,0,0]=2 4514 B14R0.392 C=CCCCCCCCCCCCS[13CH3] 62a_200025704644_102130925996 [0,1,0,0,0,0|1,0,0]=2 4515 B14R0.392 C=CCCCCCCCCCCNCC 2230a_100015525214_100011093070 [0,1,0,0,0,0|1,0,0]=2 4516 B14R0.392 C=CCCCCCCCCCCOCC 34a_100121572206_100011093070 [0,1,0,0,0,0|1,0,0]=2 4517 B14R0.392 C=CCCCCCCCCCCSCC 62a_100000210202_100011093070 [0,1,0,0,0,0|1,0,0]=2 4518 B14R0.392 C=CCCCCCCCCCCSCC 62a_100011093070_100000210202 [0,1,0,0,0,0|1,0,0]=2 4519 B14R0.392 C=CCCCCCCCCCCSCF 62a_100011093070_100015361967 [0,1,0,0,0,0|2,0,0]=3 4520 B14R0.392 C=CCCCCCCCCCCSCF 62a_100015361967_100011093070 [0,1,0,0,0,0|2,0,0]=3 4521 B14R0.392 C=CCCCCCCCCCNCC#N 2230a_100000081888_100011215382 [0,1,0,0,0,0|2,0,1]=4 4522 B14R0.392 C=CCCCCCCCCCNCC=C 2230a_100000081888_100000210623 [0,1,0,0,0,0|1,0,2]=4 4523 B14R0.392 C=CCCCCCCCCCNCC=C 2230a_100020586998_100009814027 [0,1,0,0,0,0|1,0,2]=4 4524 B14R0.392 C=CCCCCCCCCCNCC=C 34a_100000081888_100015514636 [0,1,0,0,0,0|1,0,2]=4 4525 B14R0.392 C=CCCCCCCCCCNCC=O 2230a_100000081888_200015260668 [0,1,0,0,0,0|0,0,2]=3 4526 B14R0.392 C=CCCCCCCCCCNCC=O 34a_100000081888_200009817547 [0,1,0,0,0,0|0,0,2]=3 4527 B14R0.392 C=CCCCCCCCCCNCCC 2230a_100000081888_100000210303 [0,1,0,0,0,0|1,0,0]=2 4528 B14R0.392 C=CCCCCCCCCCNCCC 34a_100000081888_100000210303 [0,1,0,0,0,0|1,0,0]=2 4529 B14R0.392 C=CCCCCCCCCCNCCF 2230a_100000081888_100011217306 [0,1,0,0,0,0|2,0,0]=3 4530 B14R0.392 C=CCCCCCCCCCNCCF 34a_100000081888_100011217306 [0,1,0,0,0,0|2,0,0]=3 4531 B14R0.392 C=CCCCCCCCCCNCCF 34a_100000724931_100009814027 [0,1,0,0,0,0|2,0,0]=3 4532 B14R0.392 C=CCCCCCCCCCNCCO 2230a_100000081888_100000211926 [0,1,0,0,0,0|2,0,0]=3 4533 B14R0.392 C=CCCCCCCCCCNCCO 2230a_100016997473_100009814027 [0,1,0,0,0,0|2,0,0]=3 4534 B14R0.392 C=CCCCCCCCCCNCCO 34a_100000081888_100000211926 [0,1,0,0,0,0|2,0,0]=3 4535 B14R0.392 C=CCCCCCCCCCNCCO 34a_100016990907_100009814027 [0,1,0,0,0,0|2,0,0]=3 4536 B14R0.392 C=CCCCCCCCCCNCOC 2230a_100000081888_100000766300 [0,1,0,0,0,0|2,0,0]=3 4537 B14R0.392 C=CCCCCCCCCCNCSC 2230a_100000081888_100011218213 [0,1,0,0,0,0|2,0,0]=3 4538 B14R0.392 C=CCCCCCCCCCNCSC 34a_100000081888_100011218213 [0,1,0,0,0,0|2,0,0]=3 4539 B14R0.392 C=CCCCCCCCCCOCC#N 7a_100000038209_100011215382 [0,1,0,0,0,0|2,0,1]=4 4540 B14R0.392 C=CCCCCCCCCCOCC=C 34a_100000038209_100015514636 [0,1,0,0,0,0|1,0,2]=4 4541 B14R0.392 C=CCCCCCCCCCOCC=C 34a_200000210373_100009814027 [0,1,0,0,0,0|1,0,2]=4 4542 B14R0.392 C=CCCCCCCCCCOCC=C 7a_100000038209_100015514636 [0,1,0,0,0,0|1,0,2]=4 4543 B14R0.392 C=CCCCCCCCCCOCC=O 34a_100000038209_200009817547 [0,1,0,0,0,0|0,0,2]=3 4544 B14R0.392 C=CCCCCCCCCCOCC=O 7a_100000038209_200015260668 [0,1,0,0,0,0|0,0,2]=3 4545 B14R0.392 C=CCCCCCCCCCOCCBr 34a_100000211926_100009814027 [0,1,0,0,0,0|2,0,0]=3 4546 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000038209_100000210303 [0,1,0,0,0,0|1,0,0]=2 4547 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000210258_100009814027 [0,1,0,0,0,0|1,0,0]=2 4548 B14R0.392 C=CCCCCCCCCCOCCC 7a_100000038209_100000210303 [0,1,0,0,0,0|1,0,0]=2 4549 B14R0.392 C=CCCCCCCCCCOCCF 34a_100000038209_100011217306 [0,1,0,0,0,0|2,0,0]=3 4550 B14R0.392 C=CCCCCCCCCCOCCF 7a_100000038209_100011217306 [0,1,0,0,0,0|2,0,0]=3 4551 B14R0.392 C=CCCCCCCCCCOCCN 34a_100000210304_100009814027 [0,1,0,0,0,0|2,0,0]=3 4552 B14R0.392 C=CCCCCCCCCCOCCO 34a_100000038209_100000211926 [0,1,0,0,0,0|2,0,0]=3 4553 B14R0.392 C=CCCCCCCCCCOCCO 7a_100000038209_100000211926 [0,1,0,0,0,0|2,0,0]=3 4554 B14R0.392 C=CCCCCCCCCCOCSC 34a_100000038209_100011218213 [0,1,0,0,0,0|2,0,0]=3 4555 B14R0.392 C=CCCCCCCCCCSCC#N 62a_100009814027_100011215382 [0,1,0,0,0,0|2,0,1]=4 4556 B14R0.392 C=CCCCCCCCCCSCC#N 62a_100011215382_100009814027 [0,1,0,0,0,0|2,0,1]=4 4557 B14R0.392 C=CCCCCCCCCCSCC=C 62a_100000210623_100009814027 [0,1,0,0,0,0|1,0,2]=4 4558 B14R0.392 C=CCCCCCCCCCSCC=C 62a_100009814027_100000210623 [0,1,0,0,0,0|1,0,2]=4 4559 B14R0.392 C=CCCCCCCCCCSCC=O 62a_100009814027_200015260668 [0,1,0,0,0,0|0,0,2]=3 4560 B14R0.392 C=CCCCCCCCCCSCC=O 62a_200015260668_100009814027 [0,1,0,0,0,0|0,0,2]=3 4561 B14R0.392 C=CCCCCCCCCCSCCC 62a_100000210303_100009814027 [0,1,0,0,0,0|1,0,0]=2 4562 B14R0.392 C=CCCCCCCCCCSCCC 62a_100009814027_100000210303 [0,1,0,0,0,0|1,0,0]=2 4563 B14R0.392 C=CCCCCCCCCCSCCF 62a_100009814027_100011217306 [0,1,0,0,0,0|2,0,0]=3 4564 B14R0.392 C=CCCCCCCCCCSCCF 62a_100011217306_100009814027 [0,1,0,0,0,0|2,0,0]=3 4565 B14R0.392 C=CCCCCCCCCCSCCO 62a_100000211926_100009814027 [0,1,0,0,0,0|2,0,0]=3 4566 B14R0.392 C=CCCCCCCCCCSCCO 62a_100009814027_100000211926 [0,1,0,0,0,0|2,0,0]=3 4567 B14R0.392 C=CCCCCCCCCCSCOC 62a_100000766300_100009814027 [0,1,0,0,0,0|2,0,0]=3 4568 B14R0.392 C=CCCCCCCCCCSCOC 62a_100009814027_100000766300 [0,1,0,0,0,0|2,0,0]=3 4569 B14R0.392 C=CCCCCCCCCCSCSC 62a_100009814027_100011218213 [0,1,0,0,0,0|2,0,0]=3 4570 B14R0.392 C=CCCCCCCCCCSCSC 62a_100011218213_100009814027 [0,1,0,0,0,0|2,0,0]=3 4571 B14R0.392 C=CCCCCCCCCNCC#CC 2230a_100000685387_100011933949 [0,1,0,0,0,0|1,0,2]=4 4572 B14R0.392 C=CCCCCCCCCNCC#CC 34a_100000685387_100011933949 [0,1,0,0,0,0|1,0,2]=4 4573 B14R0.392 C=CCCCCCCCCNCCC=C 2230a_100015191253_100011933949 [0,1,0,0,0,0|1,0,2]=4 4574 B14R0.392 C=CCCCCCCCCNCCCC 2230a_100000102301_100011933949 [0,1,0,0,0,0|1,0,0]=2 4575 B14R0.392 C=CCCCCCCCCNCCCC 7a_106832991798_100011933949 [0,1,0,0,0,0|1,0,0]=2 4576 B14R0.392 C=CCCCCCCCCNCCCF 2230a_100015189416_100011933949 [0,1,0,0,0,0|2,0,0]=3 4577 B14R0.392 C=CCCCCCCCCNCCCF 34a_100015189416_100011933949 [0,1,0,0,0,0|2,0,0]=3 4578 B14R0.392 C=CCCCCCCCCNCCOC 2230a_100000209980_100011933949 [0,1,0,0,0,0|2,0,0]=3 4579 B14R0.392 C=CCCCCCCCCNCCSC 2230a_100020590264_100011933949 [0,1,0,0,0,0|2,0,0]=3 4580 B14R0.392 C=CCCCCCCCCOC/C=C/C 34a_100011215194_100102629194 [0,1,0,0,0,0|1,0,2]=4 4581 B14R0.392 C=CCCCCCCCCOC/C=C/C 34a_100016270725_100011933949 [0,1,0,0,0,0|1,0,2]=4 4582 B14R0.392 C=CCCCCCCCCOC/C=C/C 7a_100011215194_100102629194 [0,1,0,0,0,0|1,0,2]=4 4583 B14R0.392 C=CCCCCCCCCOCC#CC 34a_100000761923_100011933949 [0,1,0,0,0,0|1,0,2]=4 4584 B14R0.392 C=CCCCCCCCCOCC#CC 34a_100011215194_100000748600 [0,1,0,0,0,0|1,0,2]=4 4585 B14R0.392 C=CCCCCCCCCOCC#CC 7a_100011215194_100000748600 [0,1,0,0,0,0|1,0,2]=4 4586 B14R0.392 C=CCCCCCCCCOCC=CC 34a_100011215194_100000070051 [0,1,0,0,0,0|1,0,2]=4 4587 B14R0.392 C=CCCCCCCCCOCC=CC 7a_100011215194_100000070051 [0,1,0,0,0,0|1,0,2]=4 4588 B14R0.392 C=CCCCCCCCCOCCC#N 7a_100011215194_100000184422 [0,1,0,0,0,0|2,0,1]=4 4589 B14R0.392 C=CCCCCCCCCOCCC=C 34a_100011205117_100011933949 [0,1,0,0,0,0|1,0,2]=4 4590 B14R0.392 C=CCCCCCCCCOCCC=C 34a_100011215194_100000754431 [0,1,0,0,0,0|1,0,2]=4 4591 B14R0.392 C=CCCCCCCCCOCCC=C 7a_100011215194_100000754431 [0,1,0,0,0,0|1,0,2]=4 4592 B14R0.392 C=CCCCCCCCCOCCCBr 34a_100011217188_100011933949 [0,1,0,0,0,0|2,0,0]=3 4593 B14R0.392 C=CCCCCCCCCOCCCC 34a_100000210227_100011933949 [0,1,0,0,0,0|1,0,0]=2 4594 B14R0.392 C=CCCCCCCCCOCCCC 34a_100011215194_100000210210 [0,1,0,0,0,0|1,0,0]=2 4595 B14R0.392 C=CCCCCCCCCOCCCC 7a_100000210227_100011933949 [0,1,0,0,0,0|1,0,0]=2 4596 B14R0.392 C=CCCCCCCCCOCCCC 7a_100011215194_100000210211 [0,1,0,0,0,0|1,0,0]=2 4597 B14R0.392 C=CCCCCCCCCOCCCCl 34a_100000230001_100011933949 [0,1,0,0,0,0|2,0,0]=3 4598 B14R0.392 C=CCCCCCCCCOCCCF 34a_100000759539_100011933949 [0,1,0,0,0,0|2,0,0]=3 4599 B14R0.392 C=CCCCCCCCCOCCCF 34a_100011215194_100011934791 [0,1,0,0,0,0|2,0,0]=3 4600 B14R0.392 C=CCCCCCCCCOCCCF 7a_100011215194_100011934791 [0,1,0,0,0,0|2,0,0]=3 4601 B14R0.392 C=CCCCCCCCCOCCCN 34a_100000182051_100011933949 [0,1,0,0,0,0|2,0,0]=3 4602 B14R0.392 C=CCCCCCCCCOCCCO 34a_100011215194_100000230001 [0,1,0,0,0,0|2,0,0]=3 4603 B14R0.392 C=CCCCCCCCCOCCCO 7a_100011215194_100011215043 [0,1,0,0,0,0|2,0,0]=3 4604 B14R0.392 C=CCCCCCCCCOCCOC 34a_100000210237_100011933949 [0,1,0,0,0,0|2,0,0]=3 4605 B14R0.392 C=CCCCCCCCCOCCOC 34a_100011215194_100011201679 [0,1,0,0,0,0|2,0,0]=3 4606 B14R0.392 C=CCCCCCCCCOCCOC 7a_100011215194_100000233755 [0,1,0,0,0,0|2,0,0]=3 4607 B14R0.392 C=CCCCCCCCCOCCON 34a_100000700252_100011933949 [0,1,0,0,0,0|3,0,0]=4 4608 B14R0.392 C=CCCCCCCCCOCCSC 34a_100000230434_100011933949 [0,1,0,0,0,0|2,0,0]=3 4609 B14R0.392 C=CCCCCCCCCOCCSC 34a_100011215194_100000212216 [0,1,0,0,0,0|2,0,0]=3 4610 B14R0.392 C=CCCCCCCCCOCCSC 7a_100000230434_100011933949 [0,1,0,0,0,0|2,0,0]=3 4611 B14R0.392 C=CCCCCCCCCOCCSC 7a_100011215194_100000212216 [0,1,0,0,0,0|2,0,0]=3 4612 B14R0.392 C=CCCCCCCCCSC/C=C/C 62a_100011933949_100102629194 [0,1,0,0,0,0|1,0,2]=4 4613 B14R0.392 C=CCCCCCCCCSC/C=C/C 62a_100102629194_100011933949 [0,1,0,0,0,0|1,0,2]=4 4614 B14R0.392 C=CCCCCCCCCSCC#CC 62a_100000748600_100011933949 [0,1,0,0,0,0|1,0,2]=4 4615 B14R0.392 C=CCCCCCCCCSCC#CC 62a_100011933949_100000748600 [0,1,0,0,0,0|1,0,2]=4 4616 B14R0.392 C=CCCCCCCCCSCC=CC 62a_100000070051_100011933949 [0,1,0,0,0,0|1,0,2]=4 4617 B14R0.392 C=CCCCCCCCCSCC=CC 62a_100011933949_100000070051 [0,1,0,0,0,0|1,0,2]=4 4618 B14R0.392 C=CCCCCCCCCSCCC#N 62a_100011215226_100011933949 [0,1,0,0,0,0|2,0,1]=4 4619 B14R0.392 C=CCCCCCCCCSCCC#N 62a_100011933949_100011215226 [0,1,0,0,0,0|2,0,1]=4 4620 B14R0.392 C=CCCCCCCCCSCCC=C 62a_100000754431_100011933949 [0,1,0,0,0,0|1,0,2]=4 4621 B14R0.392 C=CCCCCCCCCSCCC=C 62a_100011933949_100000754431 [0,1,0,0,0,0|1,0,2]=4 4622 B14R0.392 C=CCCCCCCCCSCCCC 62a_100000210211_100011933949 [0,1,0,0,0,0|1,0,0]=2 4623 B14R0.392 C=CCCCCCCCCSCCCC 62a_100011933949_100000210210 [0,1,0,0,0,0|1,0,0]=2 4624 B14R0.392 C=CCCCCCCCCSCCCF 62a_100011933949_100011934791 [0,1,0,0,0,0|2,0,0]=3 4625 B14R0.392 C=CCCCCCCCCSCCCF 62a_100011934791_100011933949 [0,1,0,0,0,0|2,0,0]=3 4626 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011215043_100011933949 [0,1,0,0,0,0|2,0,0]=3 4627 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011933949_100011215043 [0,1,0,0,0,0|2,0,0]=3 4628 B14R0.392 C=CCCCCCCCCSCCOC 62a_100000233755_100011933949 [0,1,0,0,0,0|2,0,0]=3 4629 B14R0.392 C=CCCCCCCCCSCCOC 62a_100011933949_100000233755 [0,1,0,0,0,0|2,0,0]=3 4630 B14R0.392 C=CCCCCCCCCSCCSC 62a_100000212216_100011933949 [0,1,0,0,0,0|2,0,0]=3 4631 B14R0.392 C=CCCCCCCCCSCCSC 62a_100011933949_100000751147 [0,1,0,0,0,0|2,0,0]=3 4632 B14R0.392 C=CCCCCCCCCSCOCC 62a_100000739092_100011933949 [0,1,0,0,0,0|2,0,0]=3 4633 B14R0.392 C=CCCCCCCCCSCOCC 62a_100011933949_100000739092 [0,1,0,0,0,0|2,0,0]=3 4634 B14R0.392 C=CCCCCCCCNCCCC=C 2230a_100000700776_100012355270 [0,1,0,0,0,0|1,0,2]=4 4635 B14R0.392 C=CCCCCCCCNCCCC=C 34a_100000700776_100012355270 [0,1,0,0,0,0|1,0,2]=4 4636 B14R0.392 C=CCCCCCCCNCCCCC 2230a_100000209983_100012355270 [0,1,0,0,0,0|1,0,0]=2 4637 B14R0.392 C=CCCCCCCCNCCCCO 2230a_100000750430_100012355270 [0,1,0,0,0,0|2,0,0]=3 4638 B14R0.392 C=CCCCCCCCNCCCCO 34a_100000750430_100012355270 [0,1,0,0,0,0|2,0,0]=3 4639 B14R0.392 C=CCCCCCCCNCCCOC 34a_100150723488_100012355270 [0,1,0,0,0,0|2,0,0]=3 4640 B14R0.392 C=CCCCCCCCNCCCSC 2230a_100000749238_100012355270 [0,1,0,0,0,0|2,0,0]=3 4641 B14R0.392 C=CCCCCCCCNCCOCC 2230a_102516460346_100012355270 [0,1,0,0,0,0|2,0,0]=3 4642 B14R0.392 C=CCCCCCCCNCCOCC 34a_102516460346_100012355270 [0,1,0,0,0,0|2,0,0]=3 4643 B14R0.392 C=CCCCCCCCNCCSCC 2230a_100000106463_100012355270 [0,1,0,0,0,0|2,0,0]=3 4644 B14R0.392 C=CCCCCCCCOC/C=C\CC 34a_100000730831_100103147603 [0,1,0,0,0,0|1,0,2]=4 4645 B14R0.392 C=CCCCCCCCOC/C=C\CC 34a_100016268518_100012355270 [0,1,0,0,0,0|1,0,2]=4 4646 B14R0.392 C=CCCCCCCCOC/C=C\CC 7a_100000730831_100103147603 [0,1,0,0,0,0|1,0,2]=4 4647 B14R0.392 C=CCCCCCCCOCC#CCC 34a_100000032950_100012355270 [0,1,0,0,0,0|1,0,2]=4 4648 B14R0.392 C=CCCCCCCCOCC#CCC 34a_100000730831_100009813939 [0,1,0,0,0,0|1,0,2]=4 4649 B14R0.392 C=CCCCCCCCOCC#CCC 7a_100000730831_100009813939 [0,1,0,0,0,0|1,0,2]=4 4650 B14R0.392 C=CCCCCCCCOCC/C=C/C 34a_100016278192_100012355270 [0,1,0,0,0,0|1,0,2]=4 4651 B14R0.392 C=CCCCCCCCOCCC#CC 34a_100000750427_100012355270 [0,1,0,0,0,0|1,0,2]=4 4652 B14R0.392 C=CCCCCCCCOCCCC#N 7a_100000730831_100000687738 [0,1,0,0,0,0|2,0,1]=4 4653 B14R0.392 C=CCCCCCCCOCCCC=C 34a_100000730831_100000757094 [0,1,0,0,0,0|1,0,2]=4 4654 B14R0.392 C=CCCCCCCCOCCCC=C 34a_100000758997_100012355270 [0,1,0,0,0,0|1,0,2]=4 4655 B14R0.392 C=CCCCCCCCOCCCC=C 7a_100000730831_100000757094 [0,1,0,0,0,0|1,0,2]=4 4656 B14R0.392 C=CCCCCCCCOCCCC=C 7a_100000758997_100012355270 [0,1,0,0,0,0|1,0,2]=4 4657 B14R0.392 C=CCCCCCCCOCCCC=O 7a_100000730831_200011292268 [0,1,0,0,0,0|0,0,2]=3 4658 B14R0.392 C=CCCCCCCCOCCCCBr 34a_100011216708_100012355270 [0,1,0,0,0,0|2,0,0]=3 4659 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000210253_100012355270 [0,1,0,0,0,0|1,0,0]=2 4660 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000730831_100000718602 [0,1,0,0,0,0|1,0,0]=2 4661 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000210253_100012355270 [0,1,0,0,0,0|1,0,0]=2 4662 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000730831_100000210326 [0,1,0,0,0,0|1,0,0]=2 4663 B14R0.392 C=CCCCCCCCOCCCCCl 34a_100000210776_100012355270 [0,1,0,0,0,0|2,0,0]=3 4664 B14R0.392 C=CCCCCCCCOCCCCCl 7a_100000210776_100012355270 [0,1,0,0,0,0|2,0,0]=3 4665 B14R0.392 C=CCCCCCCCOCCCCF 34a_100000730831_100000729493 [0,1,0,0,0,0|2,0,0]=3 4666 B14R0.392 C=CCCCCCCCOCCCCF 34a_100011995726_100012355270 [0,1,0,0,0,0|2,0,0]=3 4667 B14R0.392 C=CCCCCCCCOCCCCF 7a_100000730831_100000729493 [0,1,0,0,0,0|2,0,0]=3 4668 B14R0.392 C=CCCCCCCCOCCCCF 7a_100011995726_100012355270 [0,1,0,0,0,0|2,0,0]=3 4669 B14R0.392 C=CCCCCCCCOCCCCI 34a_200012148704_100012355270 [0,1,0,0,0,0|2,0,0]=3 4670 B14R0.392 C=CCCCCCCCOCCCCN 34a_100000750430_100012355270 [0,1,0,0,0,0|2,0,0]=3 4671 B14R0.392 C=CCCCCCCCOCCCCO 34a_100000730831_100011216708 [0,1,0,0,0,0|2,0,0]=3 4672 B14R0.392 C=CCCCCCCCOCCCCO 7a_100000730831_100000210776 [0,1,0,0,0,0|2,0,0]=3 4673 B14R0.392 C=CCCCCCCCOCCCNC 34a_100000213112_100012355270 [0,1,0,0,0,0|2,0,0]=3 4674 B14R0.392 C=CCCCCCCCOCCCOC 34a_100000730831_100000740836 [0,1,0,0,0,0|2,0,0]=3 4675 B14R0.392 C=CCCCCCCCOCCCOC 34a_100000740835_100012355270 [0,1,0,0,0,0|2,0,0]=3 4676 B14R0.392 C=CCCCCCCCOCCCOC 7a_100000730831_100000740836 [0,1,0,0,0,0|2,0,0]=3 4677 B14R0.392 C=CCCCCCCCOCCCSC 34a_100000690336_100012355270 [0,1,0,0,0,0|2,0,0]=3 4678 B14R0.392 C=CCCCCCCCOCCCSC 7a_100000690336_100012355270 [0,1,0,0,0,0|2,0,0]=3 4679 B14R0.392 C=CCCCCCCCOCCOCC 34a_100000210136_100012355270 [0,1,0,0,0,0|2,0,0]=3 4680 B14R0.392 C=CCCCCCCCOCCOCC 34a_100000730831_100000210147 [0,1,0,0,0,0|2,0,0]=3 4681 B14R0.392 C=CCCCCCCCOCCOCC 7a_100000210136_100012355270 [0,1,0,0,0,0|2,0,0]=3 4682 B14R0.392 C=CCCCCCCCOCCOCC 7a_100000730831_100011215890 [0,1,0,0,0,0|2,0,0]=3 4683 B14R0.392 C=CCCCCCCCOCCSCC 34a_100000212035_100012355270 [0,1,0,0,0,0|2,0,0]=3 4684 B14R0.392 C=CCCCCCCCOCCSCC 34a_100000730831_100000757381 [0,1,0,0,0,0|2,0,0]=3 4685 B14R0.392 C=CCCCCCCCOCCSCC 7a_100000212035_100012355270 [0,1,0,0,0,0|2,0,0]=3 4686 B14R0.392 C=CCCCCCCCOCCSCC 7a_100000730831_100000757381 [0,1,0,0,0,0|2,0,0]=3 4687 B14R0.392 C=CCCCCCCCSC/C=C\CC 62a_100012355270_100103147603 [0,1,0,0,0,0|1,0,2]=4 4688 B14R0.392 C=CCCCCCCCSC/C=C\CC 62a_100103147603_100012355270 [0,1,0,0,0,0|1,0,2]=4 4689 B14R0.392 C=CCCCCCCCSCC#CCC 62a_100009813939_100012355270 [0,1,0,0,0,0|1,0,2]=4 4690 B14R0.392 C=CCCCCCCCSCC#CCC 62a_100012355270_100009813939 [0,1,0,0,0,0|1,0,2]=4 4691 B14R0.392 C=CCCCCCCCSCCCC#N 62a_100000687738_100012355270 [0,1,0,0,0,0|2,0,1]=4 4692 B14R0.392 C=CCCCCCCCSCCCC#N 62a_100012355270_100000687738 [0,1,0,0,0,0|2,0,1]=4 4693 B14R0.392 C=CCCCCCCCSCCCC=C 62a_100011713584_100012355270 [0,1,0,0,0,0|1,0,2]=4 4694 B14R0.392 C=CCCCCCCCSCCCC=C 62a_100012355270_100000757094 [0,1,0,0,0,0|1,0,2]=4 4695 B14R0.392 C=CCCCCCCCSCCCC=O 62a_100012355270_200011292268 [0,1,0,0,0,0|0,0,2]=3 4696 B14R0.392 C=CCCCCCCCSCCCC=O 62a_200011292268_100012355270 [0,1,0,0,0,0|0,0,2]=3 4697 B14R0.392 C=CCCCCCCCSCCCCC 62a_100000210326_100012355270 [0,1,0,0,0,0|1,0,0]=2 4698 B14R0.392 C=CCCCCCCCSCCCCC 62a_100012355270_100000210326 [0,1,0,0,0,0|1,0,0]=2 4699 B14R0.392 C=CCCCCCCCSCCCCF 62a_100000729493_100012355270 [0,1,0,0,0,0|2,0,0]=3 4700 B14R0.392 C=CCCCCCCCSCCCCF 62a_100012355270_100000729493 [0,1,0,0,0,0|2,0,0]=3 4701 B14R0.392 C=CCCCCCCCSCCCCO 62a_100000210776_100012355270 [0,1,0,0,0,0|2,0,0]=3 4702 B14R0.392 C=CCCCCCCCSCCCCO 62a_100012355270_100000210776 [0,1,0,0,0,0|2,0,0]=3 4703 B14R0.392 C=CCCCCCCCSCCCOC 62a_100000709357_100012355270 [0,1,0,0,0,0|2,0,0]=3 4704 B14R0.392 C=CCCCCCCCSCCCOC 62a_100012355270_100000709357 [0,1,0,0,0,0|2,0,0]=3 4705 B14R0.392 C=CCCCCCCCSCCOCC 62a_100000210147_100012355270 [0,1,0,0,0,0|2,0,0]=3 4706 B14R0.392 C=CCCCCCCCSCCOCC 62a_100012355270_100011215890 [0,1,0,0,0,0|2,0,0]=3 4707 B14R0.392 C=CCCCCCCCSCCSCC 62a_100000757381_100012355270 [0,1,0,0,0,0|2,0,0]=3 4708 B14R0.392 C=CCCCCCCCSCCSCC 62a_100012355270_100000757381 [0,1,0,0,0,0|2,0,0]=3 4709 B14R0.392 C=CCCCCCCNCCCCC=C 2230a_100000703577_100011215473 [0,1,0,0,0,0|1,0,2]=4 4710 B14R0.392 C=CCCCCCCNCCCCC=C 34a_100000703577_100011215473 [0,1,0,0,0,0|1,0,2]=4 4711 B14R0.392 C=CCCCCCCNCCCCCC 2230a_100000210581_100011215473 [0,1,0,0,0,0|1,0,0]=2 4712 B14R0.392 C=CCCCCCCNCCCCCO 2230a_100000762737_100011215473 [0,1,0,0,0,0|2,0,0]=3 4713 B14R0.392 C=CCCCCCCNCCCCCO 34a_100000762737_100011215473 [0,1,0,0,0,0|2,0,0]=3 4714 B14R0.392 C=CCCCCCCNCCCOCC 2230a_100000210961_100011215473 [0,1,0,0,0,0|2,0,0]=3 4715 B14R0.392 C=CCCCCCCNCCCOCC 34a_100000210961_100011215473 [0,1,0,0,0,0|2,0,0]=3 4716 B14R0.392 C=CCCCCCCNCCOCCC 2230a_100161115042_100011215473 [0,1,0,0,0,0|2,0,0]=3 4717 B14R0.392 C=CCCCCCCNCCOCCC 34a_100161115042_100011215473 [0,1,0,0,0,0|2,0,0]=3 4718 B14R0.392 C=CCCCCCCNCCOCCO 2230a_100000211614_100011215473 [0,1,0,0,0,0|3,0,0]=4 4719 B14R0.392 C=CCCCCCCNCCOCCO 34a_100000211614_100011215473 [0,1,0,0,0,0|3,0,0]=4 4720 B14R0.392 C=CCCCCCCNCCSCCC 2230a_100020603323_100011215473 [0,1,0,0,0,0|2,0,0]=3 4721 B14R0.392 C=CCCCCCCNCCSCCO 2230a_100011219999_100011215473 [0,1,0,0,0,0|3,0,0]=4 4722 B14R0.392 C=CCCCCCCOC/C=C/CCC 34a_100016278788_100011215473 [0,1,0,0,0,0|1,0,2]=4 4723 B14R0.392 C=CCCCCCCOC/C=C/CCC 7a_100016278788_100011215473 [0,1,0,0,0,0|1,0,2]=4 4724 B14R0.392 C=CCCCCCCOCC#CCCC 34a_100000034806_100011215473 [0,1,0,0,0,0|1,0,2]=4 4725 B14R0.392 C=CCCCCCCOCC#CCCC 7a_100000034806_100011215473 [0,1,0,0,0,0|1,0,2]=4 4726 B14R0.392 C=CCCCCCCOCC/C=C\CC 34a_100016288707_100011215473 [0,1,0,0,0,0|1,0,2]=4 4727 B14R0.392 C=CCCCCCCOCC/C=C\CC 34a_200011216477_100015370543 [0,1,0,0,0,0|1,0,2]=4 4728 B14R0.392 C=CCCCCCCOCC/C=C\CC 7a_100016288707_100011215473 [0,1,0,0,0,0|1,0,2]=4 4729 B14R0.392 C=CCCCCCCOCC/C=C\CC 7a_200011216477_100015370543 [0,1,0,0,0,0|1,0,2]=4 4730 B14R0.392 C=CCCCCCCOCCC#CCC 34a_100000036655_100011215473 [0,1,0,0,0,0|1,0,2]=4 4731 B14R0.392 C=CCCCCCCOCCC#CCC 7a_100000036655_100011215473 [0,1,0,0,0,0|1,0,2]=4 4732 B14R0.392 C=CCCCCCCOCCCC=CC 34a_100020645299_100011215473 [0,1,0,0,0,0|1,0,2]=4 4733 B14R0.392 C=CCCCCCCOCCCCC#N 7a_200011216477_100000211819 [0,1,0,0,0,0|2,0,1]=4 4734 B14R0.392 C=CCCCCCCOCCCCC=C 34a_100000766645_100011215473 [0,1,0,0,0,0|1,0,2]=4 4735 B14R0.392 C=CCCCCCCOCCCCC=C 34a_200011216477_100011215482 [0,1,0,0,0,0|1,0,2]=4 4736 B14R0.392 C=CCCCCCCOCCCCC=C 7a_100000766645_100011215473 [0,1,0,0,0,0|1,0,2]=4 4737 B14R0.392 C=CCCCCCCOCCCCC=C 7a_200011216477_100011215482 [0,1,0,0,0,0|1,0,2]=4 4738 B14R0.392 C=CCCCCCCOCCCCC=O 7a_200011216477_100000139335 [0,1,0,0,0,0|0,0,2]=3 4739 B14R0.392 C=CCCCCCCOCCCCCBr 34a_100000746331_100011215473 [0,1,0,0,0,0|2,0,0]=3 4740 B14R0.392 C=CCCCCCCOCCCCCBr 7a_100000746331_100011215473 [0,1,0,0,0,0|2,0,0]=3 4741 B14R0.392 C=CCCCCCCOCCCCCC 34a_100000210259_100011215473 [0,1,0,0,0,0|1,0,0]=2 4742 B14R0.392 C=CCCCCCCOCCCCCC 34a_200011216477_100000210314 [0,1,0,0,0,0|1,0,0]=2 4743 B14R0.392 C=CCCCCCCOCCCCCC 7a_100000210259_100011215473 [0,1,0,0,0,0|1,0,0]=2 4744 B14R0.392 C=CCCCCCCOCCCCCC 7a_200011216477_100000210314 [0,1,0,0,0,0|1,0,0]=2 4745 B14R0.392 C=CCCCCCCOCCCCCCl 34a_100000746330_100011215473 [0,1,0,0,0,0|2,0,0]=3 4746 B14R0.392 C=CCCCCCCOCCCCCCl 7a_100000746330_100011215473 [0,1,0,0,0,0|2,0,0]=3 4747 B14R0.392 C=CCCCCCCOCCCCCF 34a_200011216477_100000729378 [0,1,0,0,0,0|2,0,0]=3 4748 B14R0.392 C=CCCCCCCOCCCCCF 7a_200011216477_100000729378 [0,1,0,0,0,0|2,0,0]=3 4749 B14R0.392 C=CCCCCCCOCCCCCI 34a_200012148887_100011215473 [0,1,0,0,0,0|2,0,0]=3 4750 B14R0.392 C=CCCCCCCOCCCCCI 7a_200012148887_100011215473 [0,1,0,0,0,0|2,0,0]=3 4751 B14R0.392 C=CCCCCCCOCCCCCN 34a_100000762737_100011215473 [0,1,0,0,0,0|2,0,0]=3 4752 B14R0.392 C=CCCCCCCOCCCCCO 34a_200011216477_100000746330 [0,1,0,0,0,0|2,0,0]=3 4753 B14R0.392 C=CCCCCCCOCCCCCO 7a_200011216477_100000746330 [0,1,0,0,0,0|2,0,0]=3 4754 B14R0.392 C=CCCCCCCOCCCCOC 34a_100000740925_100011215473 [0,1,0,0,0,0|2,0,0]=3 4755 B14R0.392 C=CCCCCCCOCCCCOC 34a_200011216477_100000755781 [0,1,0,0,0,0|2,0,0]=3 4756 B14R0.392 C=CCCCCCCOCCCCOC 7a_200011216477_100000730899 [0,1,0,0,0,0|2,0,0]=3 4757 B14R0.392 C=CCCCCCCOCCCCSC 34a_100011217163_100011215473 [0,1,0,0,0,0|2,0,0]=3 4758 B14R0.392 C=CCCCCCCOCCCCSC 7a_100011217163_100011215473 [0,1,0,0,0,0|2,0,0]=3 4759 B14R0.392 C=CCCCCCCOCCCOCC 34a_100000757476_100011215473 [0,1,0,0,0,0|2,0,0]=3 4760 B14R0.392 C=CCCCCCCOCCCOCC 34a_200011216477_100012232248 [0,1,0,0,0,0|2,0,0]=3 4761 B14R0.392 C=CCCCCCCOCCCOCC 7a_100000757476_100011215473 [0,1,0,0,0,0|2,0,0]=3 4762 B14R0.392 C=CCCCCCCOCCCOCC 7a_200011216477_100012232248 [0,1,0,0,0,0|2,0,0]=3 4763 B14R0.392 C=CCCCCCCOCCCSCC 34a_100011216438_100011215473 [0,1,0,0,0,0|2,0,0]=3 4764 B14R0.392 C=CCCCCCCOCCCSCC 7a_100011216438_100011215473 [0,1,0,0,0,0|2,0,0]=3 4765 B14R0.392 C=CCCCCCCOCCOCCBr 34a_100000692535_100011215473 [0,1,0,0,0,0|3,0,0]=4 4766 B14R0.392 C=CCCCCCCOCCOCCBr 7a_100000692535_100011215473 [0,1,0,0,0,0|3,0,0]=4 4767 B14R0.392 C=CCCCCCCOCCOCCC 34a_100000752267_100011215473 [0,1,0,0,0,0|2,0,0]=3 4768 B14R0.392 C=CCCCCCCOCCOCCC 34a_200011216477_100011215938 [0,1,0,0,0,0|2,0,0]=3 4769 B14R0.392 C=CCCCCCCOCCOCCC 7a_100000752267_100011215473 [0,1,0,0,0,0|2,0,0]=3 4770 B14R0.392 C=CCCCCCCOCCOCCC 7a_200011216477_100011215938 [0,1,0,0,0,0|2,0,0]=3 4771 B14R0.392 C=CCCCCCCOCCOCCCl 34a_100011215305_100011215473 [0,1,0,0,0,0|3,0,0]=4 4772 B14R0.392 C=CCCCCCCOCCOCCCl 7a_100011215305_100011215473 [0,1,0,0,0,0|3,0,0]=4 4773 B14R0.392 C=CCCCCCCOCCOCCF 34a_200015357709_100011215473 [0,1,0,0,0,0|3,0,0]=4 4774 B14R0.392 C=CCCCCCCOCCOCCF 7a_200015357709_100011215473 [0,1,0,0,0,0|3,0,0]=4 4775 B14R0.392 C=CCCCCCCOCCOCCI 34a_100012149058_100011215473 [0,1,0,0,0,0|3,0,0]=4 4776 B14R0.392 C=CCCCCCCOCCOCCI 7a_100012149058_100011215473 [0,1,0,0,0,0|3,0,0]=4 4777 B14R0.392 C=CCCCCCCOCCOCCN 34a_100000211614_100011215473 [0,1,0,0,0,0|3,0,0]=4 4778 B14R0.392 C=CCCCCCCOCCOCCO 34a_200011216477_100000692535 [0,1,0,0,0,0|3,0,0]=4 4779 B14R0.392 C=CCCCCCCOCCOCCO 7a_200011216477_100011215305 [0,1,0,0,0,0|3,0,0]=4 4780 B14R0.392 C=CCCCCCCOCCSCCC 34a_200000230433_100011215473 [0,1,0,0,0,0|2,0,0]=3 4781 B14R0.392 C=CCCCCCCOCCSCCC 7a_200000230433_100011215473 [0,1,0,0,0,0|2,0,0]=3 4782 B14R0.392 C=CCCCCCCOCOCCCC 34a_200011216477_100011995733 [0,1,0,0,0,0|2,0,0]=3 4783 B14R0.392 C=CCCCCCCSCC/C=C\CC 62a_100011215473_100015370543 [0,1,0,0,0,0|1,0,2]=4 4784 B14R0.392 C=CCCCCCCSCC/C=C\CC 62a_100015370543_100011215473 [0,1,0,0,0,0|1,0,2]=4 4785 B14R0.392 C=CCCCCCCSCCCCC#N 62a_100011215473_100000211819 [0,1,0,0,0,0|2,0,1]=4 4786 B14R0.392 C=CCCCCCCSCCCCC#N 62a_100011219923_100011215473 [0,1,0,0,0,0|2,0,1]=4 4787 B14R0.392 C=CCCCCCCSCCCCC=C 62a_100011215473_100011215482 [0,1,0,0,0,0|1,0,2]=4 4788 B14R0.392 C=CCCCCCCSCCCCC=C 62a_100011215482_100011215473 [0,1,0,0,0,0|1,0,2]=4 4789 B14R0.392 C=CCCCCCCSCCCCC=O 62a_100000139335_100011215473 [0,1,0,0,0,0|0,0,2]=3 4790 B14R0.392 C=CCCCCCCSCCCCC=O 62a_100011215473_100000139335 [0,1,0,0,0,0|0,0,2]=3 4791 B14R0.392 C=CCCCCCCSCCCCCC 62a_100000210314_100011215473 [0,1,0,0,0,0|1,0,0]=2 4792 B14R0.392 C=CCCCCCCSCCCCCC 62a_100011215473_100000210757 [0,1,0,0,0,0|1,0,0]=2 4793 B14R0.392 C=CCCCCCCSCCCCCF 62a_100000729378_100011215473 [0,1,0,0,0,0|2,0,0]=3 4794 B14R0.392 C=CCCCCCCSCCCCCF 62a_100011215473_100000729378 [0,1,0,0,0,0|2,0,0]=3 4795 B14R0.392 C=CCCCCCCSCCCCCO 62a_100000746330_100011215473 [0,1,0,0,0,0|2,0,0]=3 4796 B14R0.392 C=CCCCCCCSCCCCCO 62a_100011215473_100000746330 [0,1,0,0,0,0|2,0,0]=3 4797 B14R0.392 C=CCCCCCCSCCCCOC 62a_100000730899_100011215473 [0,1,0,0,0,0|2,0,0]=3 4798 B14R0.392 C=CCCCCCCSCCCCOC 62a_100011215473_100000730899 [0,1,0,0,0,0|2,0,0]=3 4799 B14R0.392 C=CCCCCCCSCCCOCC 62a_100011215473_100012232248 [0,1,0,0,0,0|2,0,0]=3 4800 B14R0.392 C=CCCCCCCSCCCOCC 62a_100012232248_100011215473 [0,1,0,0,0,0|2,0,0]=3 4801 B14R0.392 C=CCCCCCCSCCOCCC 62a_100011215473_100011215938 [0,1,0,0,0,0|2,0,0]=3 4802 B14R0.392 C=CCCCCCCSCCOCCC 62a_100011215938_100011215473 [0,1,0,0,0,0|2,0,0]=3 4803 B14R0.392 C=CCCCCCCSCCOCCO 62a_100011215305_100011215473 [0,1,0,0,0,0|3,0,0]=4 4804 B14R0.392 C=CCCCCCCSCCOCCO 62a_100011215473_100011215305 [0,1,0,0,0,0|3,0,0]=4 4805 B14R0.392 C=CCCCCCCSCOCCCC 62a_100011215473_100011995733 [0,1,0,0,0,0|2,0,0]=3 4806 B14R0.392 C=CCCCCCCSCOCCCC 62a_100011995733_100011215473 [0,1,0,0,0,0|2,0,0]=3 4807 B14R0.392 C=CCCCCCCSCOCCOC 62a_100000231047_100011215473 [0,1,0,0,0,0|3,0,0]=4 4808 B14R0.392 C=CCCCCCCSCOCCOC 62a_100011215473_100000231047 [0,1,0,0,0,0|3,0,0]=4 4809 B14R0.392 C=CCCCCCNCCCCCCC 2230a_100000229938_100000700193 [0,1,0,0,0,0|1,0,0]=2 4810 B14R0.392 C=CCCCCCNCCCCCCO 2230a_100000686447_100000700193 [0,1,0,0,0,0|2,0,0]=3 4811 B14R0.392 C=CCCCCCNCCCCCCO 34a_100000686447_100000700193 [0,1,0,0,0,0|2,0,0]=3 4812 B14R0.392 C=CCCCCCNCCCCCOC 2230a_100000747528_100000700193 [0,1,0,0,0,0|2,0,0]=3 4813 B14R0.392 C=CCCCCCNCCCCCOC 34a_100000747528_100000700193 [0,1,0,0,0,0|2,0,0]=3 4814 B14R0.392 C=CCCCCCNCCCOCCC 2230a_100011217757_100000700193 [0,1,0,0,0,0|2,0,0]=3 4815 B14R0.392 C=CCCCCCNCCCOCCC 34a_100011217757_100000700193 [0,1,0,0,0,0|2,0,0]=3 4816 B14R0.392 C=CCCCCCNCCOCCOC 2230a_100000745349_100000700193 [0,1,0,0,0,0|3,0,0]=4 4817 B14R0.392 C=CCCCCCNCCOCCOC 34a_100000745349_100000700193 [0,1,0,0,0,0|3,0,0]=4 4818 B14R0.392 C=CCCCCCNCCSCCCC 2230a_100025743550_100000700193 [0,1,0,0,0,0|2,0,0]=3 4819 B14R0.392 C=CCCCCCOC/C=C/CCCC 34a_200016272032_100000700193 [0,1,0,0,0,0|1,0,2]=4 4820 B14R0.392 C=CCCCCCOC/C=C/CCCC 7a_200016272032_100000700193 [0,1,0,0,0,0|1,0,2]=4 4821 B14R0.392 C=CCCCCCOCC#CCCCC 34a_200000034558_100000700193 [0,1,0,0,0,0|1,0,2]=4 4822 B14R0.392 C=CCCCCCOCC#CCCCC 7a_200000034558_100000700193 [0,1,0,0,0,0|1,0,2]=4 4823 B14R0.392 C=CCCCCCOCCC#CCCC 34a_100000042726_100000700193 [0,1,0,0,0,0|1,0,2]=4 4824 B14R0.392 C=CCCCCCOCCC#CCCC 7a_100000042726_100000700193 [0,1,0,0,0,0|1,0,2]=4 4825 B14R0.392 C=CCCCCCOCCC/C=C/CC 34a_100016287902_100000700193 [0,1,0,0,0,0|1,0,2]=4 4826 B14R0.392 C=CCCCCCOCCC/C=C/CC 7a_100016287902_100000700193 [0,1,0,0,0,0|1,0,2]=4 4827 B14R0.392 C=CCCCCCOCCCCCC#N 7a_100011216702_100009813376 [0,1,0,0,0,0|2,0,1]=4 4828 B14R0.392 C=CCCCCCOCCCCCC=C 34a_100011216702_100000700193 [0,1,0,0,0,0|1,0,2]=4 4829 B14R0.392 C=CCCCCCOCCCCCC=C 7a_100011216702_100000700193 [0,1,0,0,0,0|1,0,2]=4 4830 B14R0.392 C=CCCCCCOCCCCCC=O 7a_100011216702_100000139337 [0,1,0,0,0,0|0,0,2]=3 4831 B14R0.392 C=CCCCCCOCCCCCCBr 34a_100011215345_100000700193 [0,1,0,0,0,0|2,0,0]=3 4832 B14R0.392 C=CCCCCCOCCCCCCBr 7a_100011215345_100000700193 [0,1,0,0,0,0|2,0,0]=3 4833 B14R0.392 C=CCCCCCOCCCCCCC 34a_100000210272_100000700193 [0,1,0,0,0,0|1,0,0]=2 4834 B14R0.392 C=CCCCCCOCCCCCCC 34a_100011216702_100000210614 [0,1,0,0,0,0|1,0,0]=2 4835 B14R0.392 C=CCCCCCOCCCCCCC 7a_100000210272_100000700193 [0,1,0,0,0,0|1,0,0]=2 4836 B14R0.392 C=CCCCCCOCCCCCCC 7a_100011216702_100000210614 [0,1,0,0,0,0|1,0,0]=2 4837 B14R0.392 C=CCCCCCOCCCCCCCl 34a_100000766143_100000700193 [0,1,0,0,0,0|2,0,0]=3 4838 B14R0.392 C=CCCCCCOCCCCCCCl 7a_100000766143_100000700193 [0,1,0,0,0,0|2,0,0]=3 4839 B14R0.392 C=CCCCCCOCCCCCCF 34a_100000732779_100000700193 [0,1,0,0,0,0|2,0,0]=3 4840 B14R0.392 C=CCCCCCOCCCCCCF 34a_100011216702_100015922095 [0,1,0,0,0,0|2,0,0]=3 4841 B14R0.392 C=CCCCCCOCCCCCCF 7a_100000732779_100000700193 [0,1,0,0,0,0|2,0,0]=3 4842 B14R0.392 C=CCCCCCOCCCCCCF 7a_100011216702_100015922095 [0,1,0,0,0,0|2,0,0]=3 4843 B14R0.392 C=CCCCCCOCCCCCCN 34a_100000686447_100000700193 [0,1,0,0,0,0|2,0,0]=3 4844 B14R0.392 C=CCCCCCOCCCCCCO 34a_100011216702_100000766143 [0,1,0,0,0,0|2,0,0]=3 4845 B14R0.392 C=CCCCCCOCCCCCCO 7a_100011216702_100000766143 [0,1,0,0,0,0|2,0,0]=3 4846 B14R0.392 C=CCCCCCOCCCCCNC 34a_100000722520_100000700193 [0,1,0,0,0,0|2,0,0]=3 4847 B14R0.392 C=CCCCCCOCCOCCCC 34a_100000210238_100000700193 [0,1,0,0,0,0|2,0,0]=3 4848 B14R0.392 C=CCCCCCOCCOCCCC 34a_100011216702_100000743108 [0,1,0,0,0,0|2,0,0]=3 4849 B14R0.392 C=CCCCCCOCCOCCCC 7a_100000210238_100000700193 [0,1,0,0,0,0|2,0,0]=3 4850 B14R0.392 C=CCCCCCOCCOCCCC 7a_100011216702_100000743108 [0,1,0,0,0,0|2,0,0]=3 4851 B14R0.392 C=CCCCCCOCCOCCNC 34a_100000228057_100000700193 [0,1,0,0,0,0|3,0,0]=4 4852 B14R0.392 C=CCCCCCOCCOCCOC 34a_100011215163_100000700193 [0,1,0,0,0,0|3,0,0]=4 4853 B14R0.392 C=CCCCCCOCCOCCOC 34a_100011216702_100000695917 [0,1,0,0,0,0|3,0,0]=4 4854 B14R0.392 C=CCCCCCOCCOCCOC 7a_100011215163_100000700193 [0,1,0,0,0,0|3,0,0]=4 4855 B14R0.392 C=CCCCCCOCCOCCOC 7a_100011216702_100000695917 [0,1,0,0,0,0|3,0,0]=4 4856 B14R0.392 C=CCCCCCOCCSCCCC 34a_200000230436_100000700193 [0,1,0,0,0,0|2,0,0]=3 4857 B14R0.392 C=CCCCCCOCCSCCCC 7a_200000230436_100000700193 [0,1,0,0,0,0|2,0,0]=3 4858 B14R0.392 C=CCCCCCSCCCCCC#N 62a_100000700193_100009813376 [0,1,0,0,0,0|2,0,1]=4 4859 B14R0.392 C=CCCCCCSCCCCCC#N 62a_100009813376_100000700193 [0,1,0,0,0,0|2,0,1]=4 4860 B14R0.392 C=CCCCCCSCCCCCC=C 62a_100000700193_100000700193 [0,1,0,0,0,0|1,0,2]=4 4861 B14R0.392 C=CCCCCCSCCCCCC=O 62a_100000139337_100000700193 [0,1,0,0,0,0|0,0,2]=3 4862 B14R0.392 C=CCCCCCSCCCCCC=O 62a_100000700193_100000139337 [0,1,0,0,0,0|0,0,2]=3 4863 B14R0.392 C=CCCCCCSCCCCCCC 62a_100000210614_100000700193 [0,1,0,0,0,0|1,0,0]=2 4864 B14R0.392 C=CCCCCCSCCCCCCC 62a_100000700193_100000210316 [0,1,0,0,0,0|1,0,0]=2 4865 B14R0.392 C=CCCCCCSCCCCCCF 62a_100000700193_100015922095 [0,1,0,0,0,0|2,0,0]=3 4866 B14R0.392 C=CCCCCCSCCCCCCF 62a_100015922095_100000700193 [0,1,0,0,0,0|2,0,0]=3 4867 B14R0.392 C=CCCCCCSCCCCCCO 62a_100000700193_100000766143 [0,1,0,0,0,0|2,0,0]=3 4868 B14R0.392 C=CCCCCCSCCCCCCO 62a_100000766143_100000700193 [0,1,0,0,0,0|2,0,0]=3 4869 B14R0.392 C=CCCCCCSCCOCCCC 62a_100000700193_100000743108 [0,1,0,0,0,0|2,0,0]=3 4870 B14R0.392 C=CCCCCCSCCOCCCC 62a_100000743108_100000700193 [0,1,0,0,0,0|2,0,0]=3 4871 B14R0.392 C=CCCCCCSCCOCCOC 62a_100000695917_100000700193 [0,1,0,0,0,0|3,0,0]=4 4872 B14R0.392 C=CCCCCCSCCOCCOC 62a_100000700193_100000695917 [0,1,0,0,0,0|3,0,0]=4 4873 B14R0.392 C=CCCCCNCC#CCCCCC 2230a_100000703577_100009816472 [0,1,0,0,0,0|1,0,2]=4 4874 B14R0.392 C=CCCCCNCC#CCCCCC 34a_100000703577_100009816472 [0,1,0,0,0,0|1,0,2]=4 4875 B14R0.392 C=CCCCCNCCCCCCC#N 2230a_100000703577_100009813337 [0,1,0,0,0,0|2,0,1]=4 4876 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000229939_100011215482 [0,1,0,0,0,0|1,0,0]=2 4877 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000703577_100000210759 [0,1,0,0,0,0|1,0,0]=2 4878 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000229939_100011215482 [0,1,0,0,0,0|1,0,0]=2 4879 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000703577_100000210759 [0,1,0,0,0,0|1,0,0]=2 4880 B14R0.392 C=CCCCCNCCCCCCCO 2230a_100000703577_100000760002 [0,1,0,0,0,0|2,0,0]=3 4881 B14R0.392 C=CCCCCNCCCCCCCO 2230a_100011996573_100011215482 [0,1,0,0,0,0|2,0,0]=3 4882 B14R0.392 C=CCCCCNCCCCCCCO 34a_100000703577_100000760002 [0,1,0,0,0,0|2,0,0]=3 4883 B14R0.392 C=CCCCCNCCCCCCCO 34a_100011996573_100011215482 [0,1,0,0,0,0|2,0,0]=3 4884 B14R0.392 C=CCCCCNCCCCCCOC 2230a_100000703577_100011998445 [0,1,0,0,0,0|2,0,0]=3 4885 B14R0.392 C=CCCCCNCCCCCCOC 34a_100000703577_100011998445 [0,1,0,0,0,0|2,0,0]=3 4886 B14R0.392 C=CCCCCNCCCOCCCC 2230a_200000211371_100011215482 [0,1,0,0,0,0|2,0,0]=3 4887 B14R0.392 C=CCCCCNCCCOCCCC 34a_200000211371_100011215482 [0,1,0,0,0,0|2,0,0]=3 4888 B14R0.392 C=CCCCCNCCCOCCCO 2230a_100011310245_100011215482 [0,1,0,0,0,0|3,0,0]=4 4889 B14R0.392 C=CCCCCNCCCOCCCO 34a_100011310245_100011215482 [0,1,0,0,0,0|3,0,0]=4 4890 B14R0.392 C=CCCCCNCCCOCCOC 2230a_100000206027_100011215482 [0,1,0,0,0,0|3,0,0]=4 4891 B14R0.392 C=CCCCCNCCCOCCOC 2230a_100000703577_100011216529 [0,1,0,0,0,0|3,0,0]=4 4892 B14R0.392 C=CCCCCNCCCOCCOC 34a_100000206027_100011215482 [0,1,0,0,0,0|3,0,0]=4 4893 B14R0.392 C=CCCCCNCCCOCCOC 34a_100000703577_100011216529 [0,1,0,0,0,0|3,0,0]=4 4894 B14R0.392 C=CCCCCNCCOCCOCC 2230a_100000703577_100011211534 [0,1,0,0,0,0|3,0,0]=4 4895 B14R0.392 C=CCCCCNCCOCCOCC 2230a_100102712874_100011215482 [0,1,0,0,0,0|3,0,0]=4 4896 B14R0.392 C=CCCCCNCCOCCOCC 34a_100000703577_100011211534 [0,1,0,0,0,0|3,0,0]=4 4897 B14R0.392 C=CCCCCNCCOCCOCC 34a_100102712874_100011215482 [0,1,0,0,0,0|3,0,0]=4 4898 B14R0.392 C=CCCCCOC/C=C/CCCCC 34a_100016258190_100011215482 [0,1,0,0,0,0|1,0,2]=4 4899 B14R0.392 C=CCCCCOC/C=C/CCCCC 7a_100016258190_100011215482 [0,1,0,0,0,0|1,0,2]=4 4900 B14R0.392 C=CCCCCOCC#CCCCCC 34a_100000766645_100009816472 [0,1,0,0,0,0|1,0,2]=4 4901 B14R0.392 C=CCCCCOCC#CCCCCC 34a_200000033628_100011215482 [0,1,0,0,0,0|1,0,2]=4 4902 B14R0.392 C=CCCCCOCC#CCCCCC 7a_100000766645_100009816472 [0,1,0,0,0,0|1,0,2]=4 4903 B14R0.392 C=CCCCCOCC#CCCCCC 7a_200000033628_100011215482 [0,1,0,0,0,0|1,0,2]=4 4904 B14R0.392 C=CCCCCOCC/C=C\CCCC 34a_200016286491_100011215482 [0,1,0,0,0,0|1,0,2]=4 4905 B14R0.392 C=CCCCCOCC/C=C\CCCC 7a_200016286491_100011215482 [0,1,0,0,0,0|1,0,2]=4 4906 B14R0.392 C=CCCCCOCCC#CCCCC 34a_100000037610_100011215482 [0,1,0,0,0,0|1,0,2]=4 4907 B14R0.392 C=CCCCCOCCC#CCCCC 7a_100000037610_100011215482 [0,1,0,0,0,0|1,0,2]=4 4908 B14R0.392 C=CCCCCOCCCC/C=C\CC 34a_100016287862_100011215482 [0,1,0,0,0,0|1,0,2]=4 4909 B14R0.392 C=CCCCCOCCCC/C=C\CC 7a_100016287862_100011215482 [0,1,0,0,0,0|1,0,2]=4 4910 B14R0.392 C=CCCCCOCCCCCCC#N 7a_100000766645_100009813337 [0,1,0,0,0,0|2,0,1]=4 4911 B14R0.392 C=CCCCCOCCCCCCCBr 34a_100000760002_100011215482 [0,1,0,0,0,0|2,0,0]=3 4912 B14R0.392 C=CCCCCOCCCCCCCBr 7a_100000760002_100011215482 [0,1,0,0,0,0|2,0,0]=3 4913 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000210232_100011215482 [0,1,0,0,0,0|1,0,0]=2 4914 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000766645_100000210759 [0,1,0,0,0,0|1,0,0]=2 4915 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000210232_100011215482 [0,1,0,0,0,0|1,0,0]=2 4916 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000766645_100000210759 [0,1,0,0,0,0|1,0,0]=2 4917 B14R0.392 C=CCCCCOCCCCCCCN 34a_100011996573_100011215482 [0,1,0,0,0,0|2,0,0]=3 4918 B14R0.392 C=CCCCCOCCCCCCCO 34a_100000766645_100000760002 [0,1,0,0,0,0|2,0,0]=3 4919 B14R0.392 C=CCCCCOCCCCCCCO 7a_100000766645_100000760002 [0,1,0,0,0,0|2,0,0]=3 4920 B14R0.392 C=CCCCCOCCCCCCOC 34a_100000766645_100011998445 [0,1,0,0,0,0|2,0,0]=3 4921 B14R0.392 C=CCCCCOCCCCCCOC 34a_200012092642_100011215482 [0,1,0,0,0,0|2,0,0]=3 4922 B14R0.392 C=CCCCCOCCCCCCOC 7a_100000766645_100011998445 [0,1,0,0,0,0|2,0,0]=3 4923 B14R0.392 C=CCCCCOCCCCCCOC 7a_200012092642_100011215482 [0,1,0,0,0,0|2,0,0]=3 4924 B14R0.392 C=CCCCCOCCCOCCCC 34a_200011215613_100011215482 [0,1,0,0,0,0|2,0,0]=3 4925 B14R0.392 C=CCCCCOCCCOCCCC 7a_200011215613_100011215482 [0,1,0,0,0,0|2,0,0]=3 4926 B14R0.392 C=CCCCCOCCCOCCCN 34a_100011310245_100011215482 [0,1,0,0,0,0|3,0,0]=4 4927 B14R0.392 C=CCCCCOCCCOCCOC 34a_100000766645_100011216529 [0,1,0,0,0,0|3,0,0]=4 4928 B14R0.392 C=CCCCCOCCCOCCOC 7a_100000766645_100011216529 [0,1,0,0,0,0|3,0,0]=4 4929 B14R0.392 C=CCCCCOCCNCCCCC 34a_100000224656_100011215482 [0,1,0,0,0,0|2,0,0]=3 4930 B14R0.392 C=CCCCCOCCOCCCCC 34a_100011215259_100011215482 [0,1,0,0,0,0|2,0,0]=3 4931 B14R0.392 C=CCCCCOCCOCCCCC 7a_100011215259_100011215482 [0,1,0,0,0,0|2,0,0]=3 4932 B14R0.392 C=CCCCCOCCOCCOCC 34a_100000210240_100011215482 [0,1,0,0,0,0|3,0,0]=4 4933 B14R0.392 C=CCCCCOCCOCCOCC 34a_100000766645_100011211534 [0,1,0,0,0,0|3,0,0]=4 4934 B14R0.392 C=CCCCCOCCOCCOCC 7a_100000210240_100011215482 [0,1,0,0,0,0|3,0,0]=4 4935 B14R0.392 C=CCCCCOCCOCCOCC 7a_100000766645_100011211534 [0,1,0,0,0,0|3,0,0]=4 4936 B14R0.392 C=CCCCCSCC#CCCCCC 62a_100009816472_100011215482 [0,1,0,0,0,0|1,0,2]=4 4937 B14R0.392 C=CCCCCSCC#CCCCCC 62a_100011215482_100009816472 [0,1,0,0,0,0|1,0,2]=4 4938 B14R0.392 C=CCCCCSCCCCCCC#N 62a_100009813337_100011215482 [0,1,0,0,0,0|2,0,1]=4 4939 B14R0.392 C=CCCCCSCCCCCCC#N 62a_100011215482_100009813337 [0,1,0,0,0,0|2,0,1]=4 4940 B14R0.392 C=CCCCCSCCCCCCCC 62a_100000210759_100011215482 [0,1,0,0,0,0|1,0,0]=2 4941 B14R0.392 C=CCCCCSCCCCCCCC 62a_100011215482_100000210317 [0,1,0,0,0,0|1,0,0]=2 4942 B14R0.392 C=CCCCCSCCCCCCCO 62a_100000760002_100011215482 [0,1,0,0,0,0|2,0,0]=3 4943 B14R0.392 C=CCCCCSCCCCCCCO 62a_100011215482_100000760002 [0,1,0,0,0,0|2,0,0]=3 4944 B14R0.392 C=CCCCCSCCCCCCOC 62a_100011215482_100011998445 [0,1,0,0,0,0|2,0,0]=3 4945 B14R0.392 C=CCCCCSCCCCCCOC 62a_100011998445_100011215482 [0,1,0,0,0,0|2,0,0]=3 4946 B14R0.392 C=CCCCCSCCCOCCOC 62a_100011215482_100011216529 [0,1,0,0,0,0|3,0,0]=4 4947 B14R0.392 C=CCCCCSCCCOCCOC 62a_100011216529_100011215482 [0,1,0,0,0,0|3,0,0]=4 4948 B14R0.392 C=CCCCCSCCOCCOCC 62a_100011211534_100011215482 [0,1,0,0,0,0|3,0,0]=4 4949 B14R0.392 C=CCCCCSCCOCCOCC 62a_100011215482_100011211534 [0,1,0,0,0,0|3,0,0]=4 4950 B14R0.392 C=CCCCNCCCC#CCCCC 2230a_100000700776_200000047210 [0,1,0,0,0,0|1,0,2]=4 4951 B14R0.392 C=CCCCNCCCC#CCCCC 34a_100000700776_200000047210 [0,1,0,0,0,0|1,0,2]=4 4952 B14R0.392 C=CCCCNCCCCC/C=C\CC 269862a_100000700776_100016288537 [0,1,0,0,0,0|1,0,2]=4 4953 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000212291_100011713584 [0,1,0,0,0,0|1,0,0]=2 4954 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000700776_100011214924 [0,1,0,0,0,0|1,0,0]=2 4955 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000212291_100000757094 [0,1,0,0,0,0|1,0,0]=2 4956 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000700776_100011214924 [0,1,0,0,0,0|1,0,0]=2 4957 B14R0.392 C=CCCCNCCCCCCCCO 2230a_100000700776_100000033203 [0,1,0,0,0,0|2,0,0]=3 4958 B14R0.392 C=CCCCNCCCCCCCCO 2230a_102515433106_100011713584 [0,1,0,0,0,0|2,0,0]=3 4959 B14R0.392 C=CCCCNCCCCCCCCO 34a_100000700776_100000033203 [0,1,0,0,0,0|2,0,0]=3 4960 B14R0.392 C=CCCCNCCCCCCCCO 34a_102515433106_100000757094 [0,1,0,0,0,0|2,0,0]=3 4961 B14R0.392 C=CCCCNCCOCCOCCC 2230a_200011904461_100011713584 [0,1,0,0,0,0|3,0,0]=4 4962 B14R0.392 C=CCCCNCCOCCOCCC 34a_200011904461_100000757094 [0,1,0,0,0,0|3,0,0]=4 4963 B14R0.392 C=CCCCOC/C=C/CCCCCC 34a_200016276170_100000757094 [0,1,0,0,0,0|1,0,2]=4 4964 B14R0.392 C=CCCCOC/C=C/CCCCCC 7a_200016276170_100000757094 [0,1,0,0,0,0|1,0,2]=4 4965 B14R0.392 C=CCCCOCC#CCCCCCC 34a_200000037284_100000757094 [0,1,0,0,0,0|1,0,2]=4 4966 B14R0.392 C=CCCCOCC#CCCCCCC 7a_200000037284_100000757094 [0,1,0,0,0,0|1,0,2]=4 4967 B14R0.392 C=CCCCOCC/C=C\CCCCC 34a_100016277358_100000757094 [0,1,0,0,0,0|1,0,2]=4 4968 B14R0.392 C=CCCCOCC/C=C\CCCCC 7a_100016277358_100000757094 [0,1,0,0,0,0|1,0,2]=4 4969 B14R0.392 C=CCCCOCCC#CCCCCC 34a_200000042877_100000757094 [0,1,0,0,0,0|1,0,2]=4 4970 B14R0.392 C=CCCCOCCC#CCCCCC 7a_200000042877_100000757094 [0,1,0,0,0,0|1,0,2]=4 4971 B14R0.392 C=CCCCOCCCC#CCCCC 34a_100000758997_200000047210 [0,1,0,0,0,0|1,0,2]=4 4972 B14R0.392 C=CCCCOCCCC#CCCCC 7a_100000758997_200000047210 [0,1,0,0,0,0|1,0,2]=4 4973 B14R0.392 C=CCCCOCCCCC/C=C\CC 34a_100016268722_100000757094 [0,1,0,0,0,0|1,0,2]=4 4974 B14R0.392 C=CCCCOCCCCC/C=C\CC 7a_100016268722_100000757094 [0,1,0,0,0,0|1,0,2]=4 4975 B14R0.392 C=CCCCOCCCCCCCCBr 34a_100009813846_100000757094 [0,1,0,0,0,0|2,0,0]=3 4976 B14R0.392 C=CCCCOCCCCCCCCBr 7a_100009813846_100000757094 [0,1,0,0,0,0|2,0,0]=3 4977 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000210712_100000757094 [0,1,0,0,0,0|1,0,0]=2 4978 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000758997_100011214924 [0,1,0,0,0,0|1,0,0]=2 4979 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000210712_100000757094 [0,1,0,0,0,0|1,0,0]=2 4980 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000758997_100000210328 [0,1,0,0,0,0|1,0,0]=2 4981 B14R0.392 C=CCCCOCCCCCCCCCl 34a_100000033203_100000757094 [0,1,0,0,0,0|2,0,0]=3 4982 B14R0.392 C=CCCCOCCCCCCCCCl 7a_100000033203_100000757094 [0,1,0,0,0,0|2,0,0]=3 4983 B14R0.392 C=CCCCOCCCCCCCCN 34a_102515433106_100000757094 [0,1,0,0,0,0|2,0,0]=3 4984 B14R0.392 C=CCCCOCCCCCCCCO 34a_100000758997_100000033203 [0,1,0,0,0,0|2,0,0]=3 4985 B14R0.392 C=CCCCOCCCCCCCCO 7a_100000758997_100000033203 [0,1,0,0,0,0|2,0,0]=3 4986 B14R0.392 C=CCCCOCCCCCNCCN 34a_103619048469_100000757094 [0,1,0,0,0,0|3,0,0]=4 4987 B14R0.392 C=CCCCOCCCCNCCCC 34a_200011216965_100000757094 [0,1,0,0,0,0|2,0,0]=3 4988 B14R0.392 C=CCCCOCCCCOCCCC 34a_200000760531_100000757094 [0,1,0,0,0,0|2,0,0]=3 4989 B14R0.392 C=CCCCOCCCCOCCCC 7a_200000760531_100000757094 [0,1,0,0,0,0|2,0,0]=3 4990 B14R0.392 C=CCCCOCCCOCCCOC 34a_200011215475_100000757094 [0,1,0,0,0,0|3,0,0]=4 4991 B14R0.392 C=CCCCOCCCOCCCOC 7a_200011215475_100000757094 [0,1,0,0,0,0|3,0,0]=4 4992 B14R0.392 C=CCCCOCCOCCCCCC 34a_100000691444_100000757094 [0,1,0,0,0,0|2,0,0]=3 4993 B14R0.392 C=CCCCOCCOCCCCCC 7a_100000691444_100000757094 [0,1,0,0,0,0|2,0,0]=3 4994 B14R0.392 C=CCCCSCCCC#CCCCC 62a_100011713584_200000047210 [0,1,0,0,0,0|1,0,2]=4 4995 B14R0.392 C=CCCCSCCCC#CCCCC 62a_200000047210_100000757094 [0,1,0,0,0,0|1,0,2]=4 4996 B14R0.392 C=CCCCSCCCCCCCCC 62a_100011713584_100000210670 [0,1,0,0,0,0|1,0,0]=2 4997 B14R0.392 C=CCCCSCCCCCCCCO 62a_100000033203_100000757094 [0,1,0,0,0,0|2,0,0]=3 4998 B14R0.392 C=CCCCSCCCCCCCCO 62a_100011713584_100000033203 [0,1,0,0,0,0|2,0,0]=3 4999 B14R0.392 C=CCCNCCCCCCC#CCC 2230a_100015191253_200000036426 [0,1,0,0,0,0|1,0,2]=4 5000 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100000684558_100000754431 [0,1,0,0,0,0|1,0,0]=2 5001 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100015191253_100000210320 [0,1,0,0,0,0|1,0,0]=2 5002 B14R0.392 C=CCCNCCCCCCCCCC 34a_100000684558_100000754431 [0,1,0,0,0,0|1,0,0]=2 5003 B14R0.392 C=CCCNCCCCCCCCCO 2230a_100000078944_100000754431 [0,1,0,0,0,0|2,0,0]=3 5004 B14R0.392 C=CCCNCCCCCCCCCO 2230a_100015191253_100009813782 [0,1,0,0,0,0|2,0,0]=3 5005 B14R0.392 C=CCCNCCCCCCCCCO 34a_100000078944_100000754431 [0,1,0,0,0,0|2,0,0]=3 5006 B14R0.392 C=CCCOCC#CCCCCCCC 34a_200000061759_100000754431 [0,1,0,0,0,0|1,0,2]=4 5007 B14R0.392 C=CCCOCC#CCCCCCCC 7a_200000061759_100000754431 [0,1,0,0,0,0|1,0,2]=4 5008 B14R0.392 C=CCCOCCC#CCCCCCC 34a_200000033163_100000754431 [0,1,0,0,0,0|1,0,2]=4 5009 B14R0.392 C=CCCOCCC#CCCCCCC 7a_200000033163_100000754431 [0,1,0,0,0,0|1,0,2]=4 5010 B14R0.392 C=CCCOCCC/C=C\CCCCC 34a_100020655193_100000754431 [0,1,0,0,0,0|1,0,2]=4 5011 B14R0.392 C=CCCOCCC/C=C\CCCCC 7a_100020655193_100000754431 [0,1,0,0,0,0|1,0,2]=4 5012 B14R0.392 C=CCCOCCCC/C=C/CCCC 34a_200020645093_100000754431 [0,1,0,0,0,0|1,0,2]=4 5013 B14R0.392 C=CCCOCCCC/C=C/CCCC 7a_200020645093_100000754431 [0,1,0,0,0,0|1,0,2]=4 5014 B14R0.392 C=CCCOCCCCC#CCCCC 34a_200000066234_100000754431 [0,1,0,0,0,0|1,0,2]=4 5015 B14R0.392 C=CCCOCCCCC#CCCCC 7a_200000066234_100000754431 [0,1,0,0,0,0|1,0,2]=4 5016 B14R0.392 C=CCCOCCCCCCC#CCC 34a_100011205117_200000036426 [0,1,0,0,0,0|1,0,2]=4 5017 B14R0.392 C=CCCOCCCCCCCCCBr 34a_100009813782_100000754431 [0,1,0,0,0,0|2,0,0]=3 5018 B14R0.392 C=CCCOCCCCCCCCCBr 7a_100009813782_100000754431 [0,1,0,0,0,0|2,0,0]=3 5019 B14R0.392 C=CCCOCCCCCCCCCC 34a_100000210711_100000754431 [0,1,0,0,0,0|1,0,0]=2 5020 B14R0.392 C=CCCOCCCCCCCCCC 34a_100011205117_100000210320 [0,1,0,0,0,0|1,0,0]=2 5021 B14R0.392 C=CCCOCCCCCCCCCC 7a_100000210711_100000754431 [0,1,0,0,0,0|1,0,0]=2 5022 B14R0.392 C=CCCOCCCCCCCCCCl 34a_100009868337_100000754431 [0,1,0,0,0,0|2,0,0]=3 5023 B14R0.392 C=CCCOCCCCCCCCCCl 7a_100009868337_100000754431 [0,1,0,0,0,0|2,0,0]=3 5024 B14R0.392 C=CCCOCCCCCCCCCN 34a_100000078944_100000754431 [0,1,0,0,0,0|2,0,0]=3 5025 B14R0.392 C=CCCOCCCCCCCCCO 34a_100011205117_100009813782 [0,1,0,0,0,0|2,0,0]=3 5026 B14R0.392 C=CCCOCCOCCOCCCC 34a_100011215186_100000754431 [0,1,0,0,0,0|3,0,0]=4 5027 B14R0.392 C=CCCOCCOCCOCCCC 7a_100011215186_100000754431 [0,1,0,0,0,0|3,0,0]=4 5028 B14R0.392 C=CCCSCCCCCCC#CCC 62a_100000754431_200000036426 [0,1,0,0,0,0|1,0,2]=4 5029 B14R0.392 C=CCCSCCCCCCC#CCC 62a_200000036426_100000754431 [0,1,0,0,0,0|1,0,2]=4 5030 B14R0.392 C=CCCSCCCCCCCCCC 62a_100000754431_100000210320 [0,1,0,0,0,0|1,0,0]=2 5031 B14R0.392 C=CCCSCCCCCCCCCO 62a_100000754431_100009813782 [0,1,0,0,0,0|2,0,0]=3 5032 B14R0.392 C=CCCSCCCCCCCCCO 62a_100009813782_100000754431 [0,1,0,0,0,0|2,0,0]=3 5033 B14R0.392 C=CCNCCCCCCCCCCC 2230a_100020586998_100011215454 [0,1,0,0,0,0|1,0,0]=2 5034 B14R0.392 C=CCNCCCCCCCCCCC 2230a_200011215754_100000210623 [0,1,0,0,0,0|1,0,0]=2 5035 B14R0.392 C=CCNCCCCCCCCCCC 34a_200011215754_100015514636 [0,1,0,0,0,0|1,0,0]=2 5036 B14R0.392 C=CCNCCCCCCCCCCO 2230a_100000066964_100000210623 [0,1,0,0,0,0|2,0,0]=3 5037 B14R0.392 C=CCNCCCCCCCCCCO 2230a_100020586998_100009813290 [0,1,0,0,0,0|2,0,0]=3 5038 B14R0.392 C=CCNCCCCCCCCCCO 34a_100000066964_100015514636 [0,1,0,0,0,0|2,0,0]=3 5039 B14R0.392 C=CCOC/C=C/CCCCCCCC 34a_200020667288_100015514636 [0,1,0,0,0,0|1,0,2]=4 5040 B14R0.392 C=CCOC/C=C/CCCCCCCC 7a_200020667288_100015514636 [0,1,0,0,0,0|1,0,2]=4 5041 B14R0.392 C=CCOCCCCCCCCCCBr 34a_100009813290_100015514636 [0,1,0,0,0,0|2,0,0]=3 5042 B14R0.392 C=CCOCCCCCCCCCCBr 7a_100009813290_100015514636 [0,1,0,0,0,0|2,0,0]=3 5043 B14R0.392 C=CCOCCCCCCCCCCC 34a_100000210809_100015514636 [0,1,0,0,0,0|1,0,0]=2 5044 B14R0.392 C=CCOCCCCCCCCCCC 34a_200000210373_100011215454 [0,1,0,0,0,0|1,0,0]=2 5045 B14R0.392 C=CCOCCCCCCCCCCC 7a_100000210809_100015514636 [0,1,0,0,0,0|1,0,0]=2 5046 B14R0.392 C=CCOCCCCCCCCCCCl 34a_200000033068_100015514636 [0,1,0,0,0,0|2,0,0]=3 5047 B14R0.392 C=CCOCCCCCCCCCCCl 7a_200000033068_100015514636 [0,1,0,0,0,0|2,0,0]=3 5048 B14R0.392 C=CCOCCCCCCCCCCN 34a_100000066964_100015514636 [0,1,0,0,0,0|2,0,0]=3 5049 B14R0.392 C=CCOCCCCCCCCCCO 34a_200000210373_100009813290 [0,1,0,0,0,0|2,0,0]=3 5050 B14R0.392 C=CCOCCOCCCCCCCC 34a_100000037705_100000210759 [0,1,0,0,0,0|2,0,0]=3 5051 B14R0.392 C=CCOCCOCCCCCCCC 7a_100000037705_100000210759 [0,1,0,0,0,0|2,0,0]=3 5052 B14R0.392 C=CCOCCOCCCCCCCO 34a_100000037705_100000760002 [0,1,0,0,0,0|3,0,0]=4 5053 B14R0.392 C=CCOCCOCCCCCCCO 7a_100000037705_100000760002 [0,1,0,0,0,0|3,0,0]=4 5054 B14R0.392 C=CCOCCOCCCCCCOC 34a_100000037705_100011998445 [0,1,0,0,0,0|3,0,0]=4 5055 B14R0.392 C=CCOCCOCCCCCCOC 7a_100000037705_100011998445 [0,1,0,0,0,0|3,0,0]=4 5056 B14R0.392 C=CCOCCOCCOCCCCC 34a_100000065479_100000718602 [0,1,0,0,0,0|3,0,0]=4 5057 B14R0.392 C=CCOCCOCCOCCCCC 7a_100000065479_100000210326 [0,1,0,0,0,0|3,0,0]=4 5058 B14R0.392 C=CCSCCCCCCCCCCC 62a_100000210623_100011215454 [0,1,0,0,0,0|1,0,0]=2 5059 B14R0.392 C=CCSCCCCCCCCCCO 62a_100000210623_200000033068 [0,1,0,0,0,0|2,0,0]=3 5060 B14R0.392 C=CCSCCCCCCCCCCO 62a_100009813290_100000210623 [0,1,0,0,0,0|2,0,0]=3 5061 B14R0.392 C=COCCCCOCCCCCC=O 7a_100000031558_100000139337 [0,1,0,0,0,0|1,0,2]=4 5062 B14R0.392 C=COCCCCOCCCCCCC 34a_100000031558_100000210614 [0,1,0,0,0,0|2,0,0]=3 5063 B14R0.392 C=COCCCCOCCCCCCC 7a_100000031558_100000210614 [0,1,0,0,0,0|2,0,0]=3 5064 B14R0.392 C=COCCCCOCCCCCCF 34a_100000031558_100015922095 [0,1,0,0,0,0|3,0,0]=4 5065 B14R0.392 C=COCCCCOCCCCCCF 7a_100000031558_100015922095 [0,1,0,0,0,0|3,0,0]=4 5066 B14R0.392 C=COCCCCOCCCCCCO 34a_100000031558_100000766143 [0,1,0,0,0,0|3,0,0]=4 5067 B14R0.392 C=COCCCCOCCCCCCO 7a_100000031558_100000766143 [0,1,0,0,0,0|3,0,0]=4 5068 B14R0.392 C=COCCCCOCCOCCCC 34a_100000031558_100000743108 [0,1,0,0,0,0|3,0,0]=4 5069 B14R0.392 C=COCCCCOCCOCCCC 7a_100000031558_100000743108 [0,1,0,0,0,0|3,0,0]=4 5070 B14R0.392 C=COCCCNCCCCCCCC 2230a_100000210767_100000210759 [0,1,0,0,0,0|2,0,0]=3 5071 B14R0.392 C=COCCCNCCCCCCCC 34a_100000210767_100000210759 [0,1,0,0,0,0|2,0,0]=3 5072 B14R0.392 C=COCCCNCCCCCCCO 2230a_100000210767_100000760002 [0,1,0,0,0,0|3,0,0]=4 5073 B14R0.392 C=COCCCNCCCCCCCO 34a_100000210767_100000760002 [0,1,0,0,0,0|3,0,0]=4 5074 B14R0.392 C=COCCCNCCCCCCOC 2230a_100000210767_100011998445 [0,1,0,0,0,0|3,0,0]=4 5075 B14R0.392 C=COCCCNCCCCCCOC 34a_100000210767_100011998445 [0,1,0,0,0,0|3,0,0]=4 5076 B14R0.392 C=COCCNCCCCCCCCC 2230a_100000212291_100000039644 [0,1,0,0,0,0|2,0,0]=3 5077 B14R0.392 C=COCCNCCCCCCCCC 34a_100000212291_100000039644 [0,1,0,0,0,0|2,0,0]=3 5078 B14R0.392 C=COCCNCCCCCCCCO 2230a_102515433106_100000039644 [0,1,0,0,0,0|3,0,0]=4 5079 B14R0.392 C=COCCNCCCCCCCCO 34a_102515433106_100000039644 [0,1,0,0,0,0|3,0,0]=4 5080 B14R0.392 C=COCCOCCCCCCCCBr 34a_100009813846_100000039644 [0,1,0,0,0,0|3,0,0]=4 5081 B14R0.392 C=COCCOCCCCCCCCBr 7a_100009813846_100000039644 [0,1,0,0,0,0|3,0,0]=4 5082 B14R0.392 C=COCCOCCCCCCCCC 34a_100000033082_100011214924 [0,1,0,0,0,0|2,0,0]=3 5083 B14R0.392 C=COCCOCCCCCCCCC 34a_100000210712_100000039644 [0,1,0,0,0,0|2,0,0]=3 5084 B14R0.392 C=COCCOCCCCCCCCC 7a_100000210712_100000039644 [0,1,0,0,0,0|2,0,0]=3 5085 B14R0.392 C=COCCOCCCCCCCCCl 34a_100000033203_100000039644 [0,1,0,0,0,0|3,0,0]=4 5086 B14R0.392 C=COCCOCCCCCCCCCl 7a_100000033203_100000039644 [0,1,0,0,0,0|3,0,0]=4 5087 B14R0.392 C=COCCOCCCCCCCCN 34a_102515433106_100000039644 [0,1,0,0,0,0|3,0,0]=4 5088 B14R0.392 C=COCCOCCCCCCCCO 34a_100000033082_100000033203 [0,1,0,0,0,0|3,0,0]=4 5089 B14R0.392 C=COCCOCCCCNCCCC 34a_200011216965_100000039644 [0,1,0,0,0,0|3,0,0]=4 5090 B14R0.392 C=COCCOCCCCOCCCC 34a_200000760531_100000039644 [0,1,0,0,0,0|3,0,0]=4 5091 B14R0.392 C=COCCOCCCCOCCCC 7a_200000760531_100000039644 [0,1,0,0,0,0|3,0,0]=4 5092 B14R0.392 C=COCCOCCOCCCCCC 34a_100000039918_100000210314 [0,1,0,0,0,0|3,0,0]=4 5093 B14R0.392 C=COCCOCCOCCCCCC 34a_100000691444_100000039644 [0,1,0,0,0,0|3,0,0]=4 5094 B14R0.392 C=COCCOCCOCCCCCC 7a_100000039918_100000210314 [0,1,0,0,0,0|3,0,0]=4 5095 B14R0.392 C=COCCOCCOCCCCCC 7a_100000691444_100000039644 [0,1,0,0,0,0|3,0,0]=4 5096 B14R0.392 C=COCCSCCCCCCCCC 62a_100000039644_100000210670 [0,1,0,0,0,0|2,0,0]=3 5097 B14R0.392 C=COCCSCCCCCCCCO 62a_100000033203_100000039644 [0,1,0,0,0,0|3,0,0]=4 5098 B14R0.392 C=COCCSCCCCCCCCO 62a_100000039644_100000033203 [0,1,0,0,0,0|3,0,0]=4 5099 B14R0.392 CC#CCCOCCCCCCCCC 34a_100000750427_100011214924 [0,1,0,0,0,0|1,0,2]=4 5100 B14R0.392 CC#CCNCCCCCCCCCC 2230a_100000684558_100000748600 [0,1,0,0,0,0|1,0,2]=4 5101 B14R0.392 CC#CCNCCCCCCCCCC 2230a_100000685387_100000210320 [0,1,0,0,0,0|1,0,2]=4 5102 B14R0.392 CC#CCNCCCCCCCCCC 34a_100000684558_100000748600 [0,1,0,0,0,0|1,0,2]=4 5103 B14R0.392 CC#CCNCCCCCCCCCC 34a_100000685387_100000210320 [0,1,0,0,0,0|1,0,2]=4 5104 B14R0.392 CC#CCOCCCCCCCCCC 34a_100000210711_100000748600 [0,1,0,0,0,0|1,0,2]=4 5105 B14R0.392 CC#CCOCCCCCCCCCC 34a_100000761923_100000210320 [0,1,0,0,0,0|1,0,2]=4 5106 B14R0.392 CC#CCOCCCCCCCCCC 7a_100000210711_100000748600 [0,1,0,0,0,0|1,0,2]=4 5107 B14R0.392 CC#CCSCCCCCCCCCC 62a_100000748600_100000210320 [0,1,0,0,0,0|1,0,2]=4 5108 B14R0.392 CC/C=C/CCCOCCCCCC=O 7a_100016287902_100000139337 [0,1,0,0,0,0|0,0,2]=3 5109 B14R0.392 CC/C=C/CCCOCCCCCCC 34a_100016287902_100000210614 [0,1,0,0,0,0|2,0,1]=4 5110 B14R0.392 CC/C=C/CCCOCCCCCCC 7a_100016287902_100000210614 [0,1,0,0,0,0|2,0,1]=4 5111 B14R0.392 CC/C=C\CCCCCCCNCCC 269862a_100020643023_200025770492 [0,1,0,0,0,0|2,0,1]=4 5112 B14R0.392 CC/C=C\CCCCCNCCCCC 269862a_100000209983_100016288537 [0,1,0,0,0,0|2,0,1]=4 5113 B14R0.392 CC/C=C\CCCCCOCCCC=O 7a_100016268722_200011292268 [0,1,0,0,0,0|0,0,2]=3 5114 B14R0.392 CC/C=C\CCCCCOCCCCC 34a_100016268722_100000718602 [0,1,0,0,0,0|2,0,1]=4 5115 B14R0.392 CC/C=C\CCCCCOCCCCC 7a_100016268722_100000210326 [0,1,0,0,0,0|2,0,1]=4 5116 B14R0.392 CC/C=C\CCCCOCCCCC=O 7a_100016287862_100000139335 [0,1,0,0,0,0|0,0,2]=3 5117 B14R0.392 CC/C=C\CCCCOCCCCCC 34a_100016287862_100000210314 [0,1,0,0,0,0|2,0,1]=4 5118 B14R0.392 CC/C=C\CCCCOCCCCCC 7a_100016287862_100000210314 [0,1,0,0,0,0|2,0,1]=4 5119 B14R0.392 CC/C=C\CCNCCCCCCCC 2230a_100000229939_100015370543 [0,1,0,0,0,0|2,0,1]=4 5120 B14R0.392 CC/C=C\CCNCCCCCCCC 34a_100000229939_100015370543 [0,1,0,0,0,0|2,0,1]=4 5121 B14R0.392 CC/C=C\CCOCCCCCCCC 34a_100000210232_100015370543 [0,1,0,0,0,0|2,0,1]=4 5122 B14R0.392 CC/C=C\CCOCCCCCCCC 34a_100016288707_100000210759 [0,1,0,0,0,0|2,0,1]=4 5123 B14R0.392 CC/C=C\CCOCCCCCCCC 7a_100000210232_100015370543 [0,1,0,0,0,0|2,0,1]=4 5124 B14R0.392 CC/C=C\CCOCCCCCCCC 7a_100016288707_100000210759 [0,1,0,0,0,0|2,0,1]=4 5125 B14R0.392 CC/C=C\CCSCCCCCCCC 62a_100000210759_100015370543 [0,1,0,0,0,0|2,0,1]=4 5126 B14R0.392 CC/C=C\CCSCCCCCCCC 62a_100015370543_100000210317 [0,1,0,0,0,0|2,0,1]=4 5127 B14R0.392 CC/C=C\CNCCCCCCCCC 2230a_100000212291_100103147603 [0,1,0,0,0,0|2,0,1]=4 5128 B14R0.392 CC/C=C\CNCCCCCCCCC 34a_100000212291_100103147603 [0,1,0,0,0,0|2,0,1]=4 5129 B14R0.392 CC/C=C\COCCCCCCCCC 34a_100000210712_100103147603 [0,1,0,0,0,0|2,0,1]=4 5130 B14R0.392 CC/C=C\COCCCCCCCCC 34a_100016268518_100011214924 [0,1,0,0,0,0|2,0,1]=4 5131 B14R0.392 CC/C=C\COCCCCCCCCC 7a_100000210712_100103147603 [0,1,0,0,0,0|2,0,1]=4 5132 B14R0.392 CC/C=C\CSCCCCCCCCC 62a_100103147603_100000210670 [0,1,0,0,0,0|2,0,1]=4 5133 B14R0.392 CC=C=CCCOCCCCCCCC 34a_100011020354_100000210759 [0,1,0,0,0,0|1,0,2]=4 5134 B14R0.392 CC=CCCCOCCCCCCCC 34a_100020645299_100000210759 [0,1,0,0,0,0|1,0,1]=3 5135 B14R0.392 CC=CCCCOCCCCCCCO 34a_100020645299_100000760002 [0,1,0,0,0,0|2,0,1]=4 5136 B14R0.392 CC=CCCCOCCCCCCOC 34a_100020645299_100011998445 [0,1,0,0,0,0|2,0,1]=4 5137 B14R0.392 CC=CCNCCCCCCCCCC 2230a_100000684558_100000070051 [0,1,0,0,0,0|1,0,1]=3 5138 B14R0.392 CC=CCNCCCCCCCCCC 34a_100000684558_100000070051 [0,1,0,0,0,0|1,0,1]=3 5139 B14R0.392 CC=CCNCCCCCCCCCO 2230a_100000078944_100000070051 [0,1,0,0,0,0|2,0,1]=4 5140 B14R0.392 CC=CCNCCCCCCCCCO 34a_100000078944_100000070051 [0,1,0,0,0,0|2,0,1]=4 5141 B14R0.392 CC=CCOCCCCCCCCCBr 34a_100009813782_100000070051 [0,1,0,0,0,0|2,0,1]=4 5142 B14R0.392 CC=CCOCCCCCCCCCBr 7a_100009813782_100000070051 [0,1,0,0,0,0|2,0,1]=4 5143 B14R0.392 CC=CCOCCCCCCCCCC 34a_100000210711_100000070051 [0,1,0,0,0,0|1,0,1]=3 5144 B14R0.392 CC=CCOCCCCCCCCCC 7a_100000210711_100000070051 [0,1,0,0,0,0|1,0,1]=3 5145 B14R0.392 CC=CCOCCCCCCCCCCl 34a_100009868337_100000070051 [0,1,0,0,0,0|2,0,1]=4 5146 B14R0.392 CC=CCOCCCCCCCCCCl 7a_100009868337_100000070051 [0,1,0,0,0,0|2,0,1]=4 5147 B14R0.392 CC=CCOCCCCCCCCCN 34a_100000078944_100000070051 [0,1,0,0,0,0|2,0,1]=4 5148 B14R0.392 CC=CCSCCCCCCCCCC 62a_100000070051_100000210320 [0,1,0,0,0,0|1,0,1]=3 5149 B14R0.392 CC=CCSCCCCCCCCCO 62a_100000070051_100009813782 [0,1,0,0,0,0|2,0,1]=4 5150 B14R0.392 CC=CCSCCCCCCCCCO 62a_100009813782_100000070051 [0,1,0,0,0,0|2,0,1]=4 5151 B14R0.392 CCCC#CCCOCCCCCC=O 7a_100000042726_100000139337 [0,1,0,0,0,0|0,0,2]=3 5152 B14R0.392 CCCC/C=C/COCCCCCC=O 7a_200016272032_100000139337 [0,1,0,0,0,0|0,0,2]=3 5153 B14R0.392 CCCC/C=C\CCOCCCCC=O 7a_200016286491_100000139335 [0,1,0,0,0,0|0,0,2]=3 5154 B14R0.392 CCCCC#CCCCSCCCC=O 62a_200000047210_200011292268 [0,1,0,0,0,0|0,0,2]=3 5155 B14R0.392 CCCCC#CCCCSCCCC=O 62a_200011292268_200000047210 [0,1,0,0,0,0|0,0,2]=3 5156 B14R0.392 CCCCC#CCCOCCCCC=O 7a_100000037610_100000139335 [0,1,0,0,0,0|0,0,2]=3 5157 B14R0.392 CCCCC#CCOCCCCCC=O 7a_200000034558_100000139337 [0,1,0,0,0,0|0,0,2]=3 5158 B14R0.392 CCCCC/C=C/COCCCCC=O 7a_100016258190_100000139335 [0,1,0,0,0,0|0,0,2]=3 5159 B14R0.392 CCCCC/C=C\CCOCCCC=O 7a_100016277358_200011292268 [0,1,0,0,0,0|0,0,2]=3 5160 B14R0.392 CCCCCC#CCCOCCCC=O 7a_200000042877_200011292268 [0,1,0,0,0,0|0,0,2]=3 5161 B14R0.392 CCCCCC#CCOCCCCC=O 7a_200000033628_100000139335 [0,1,0,0,0,0|0,0,2]=3 5162 B14R0.392 CCCCCC#CCSCCCCC=O 62a_100000139335_100009816472 [0,1,0,0,0,0|0,0,2]=3 5163 B14R0.392 CCCCCC#CCSCCCCC=O 62a_100009816472_100000139335 [0,1,0,0,0,0|0,0,2]=3 5164 B14R0.392 CCCCCC/C=C/COCCCC=O 7a_200016276170_200011292268 [0,1,0,0,0,0|0,0,2]=3 5165 B14R0.392 CCCCCCC#CCOCCCC=O 7a_200000037284_200011292268 [0,1,0,0,0,0|0,0,2]=3 5166 B14R0.392 CCCCCCCC/C=C/COCC=O 34a_200020667288_200009817547 [0,1,0,0,0,0|0,0,2]=3 5167 B14R0.392 CCCCCCCC/C=C/COCC=O 7a_200020667288_200015260668 [0,1,0,0,0,0|0,0,2]=3 5168 B14R0.392 CCCCCCCCCC/C=C/COC 34a_200025761149_200000210301 [0,1,0,0,0,0|2,0,1]=4 5169 B14R0.392 CCCCCCCCCC/C=C/COC 7a_200025761149_200000210301 [0,1,0,0,0,0|2,0,1]=4 5170 B14R0.392 CCCCCCCCCC/C=C/CO[13CH3] 34a_200025761149_200025704644 [0,1,0,0,0,0|2,0,1]=4 5171 B14R0.392 CCCCCCCCCC/C=C/CO[13CH3] 7a_200025761149_200025704644 [0,1,0,0,0,0|2,0,1]=4 5172 B14R0.392 CCCCCCCCCCCCCNC 2230a_100011215765_200000210301 [0,1,0,0,0,0|1,0,1]=3 5173 B14R0.392 CCCCCCCCCCCCCNC 2230a_106832991635_100000210684 [0,1,0,0,0,0|1,0,1]=3 5174 B14R0.392 CCCCCCCCCCCCCNC 270004a_106832991635_200011215488 [0,1,0,0,0,0|1,0,1]=3 5175 B14R0.392 CCCCCCCCCCCCCNC 34a_100011215765_200000210301 [0,1,0,0,0,0|1,0,1]=3 5176 B14R0.392 CCCCCCCCCCCCCNC 34a_100102657272_100000210684 [0,1,0,0,0,0|1,0,1]=3 5177 B14R0.392 CCCCCCCCCCCCCNC 7a_106832991635_100000210684 [0,1,0,0,0,0|1,0,1]=3 5178 B14R0.392 CCCCCCCCCCCCCN[13CH3] 2230a_100011215765_200025704644 [0,1,0,0,0,0|1,0,1]=3 5179 B14R0.392 CCCCCCCCCCCCCN[13CH3] 34a_100011215765_200025704644 [0,1,0,0,0,0|1,0,1]=3 5180 B14R0.392 CCCCCCCCCCCCCOC 34a_100000185773_200000210301 [0,1,0,0,0,0|0,0,2]=3 5181 B14R0.392 CCCCCCCCCCCCCOC 34a_100138415774_100000210684 [0,1,0,0,0,0|0,0,2]=3 5182 B14R0.392 CCCCCCCCCCCCCOC 7a_100000185773_200000210301 [0,1,0,0,0,0|0,0,2]=3 5183 B14R0.392 CCCCCCCCCCCCCO[13CH3] 34a_100000185773_200025704644 [0,1,0,0,0,0|0,0,2]=3 5184 B14R0.392 CCCCCCCCCCCCCO[13CH3] 7a_100000185773_200025704644 [0,1,0,0,0,0|0,0,2]=3 5185 B14R0.392 CCCCCCCCCCCCCSC 62a_200000210301_100011934334 [0,1,0,0,0,0|0,1,1]=3 5186 B14R0.392 CCCCCCCCCCCCCS[13CH3] 62a_200025704644_100011934334 [0,1,0,0,0,0|0,1,1]=3 5187 B14R0.392 CCCCCCCCCCCCNCC 2230a_100000210451_100000210202 [0,1,0,0,0,0|1,0,1]=3 5188 B14R0.392 CCCCCCCCCCCCNCC 2230a_100015525214_100011215052 [0,1,0,0,0,0|1,0,1]=3 5189 B14R0.392 CCCCCCCCCCCCNCC 270004a_100015525214_100011218549 [0,1,0,0,0,0|1,0,1]=3 5190 B14R0.392 CCCCCCCCCCCCNCC 34a_100000210451_100000210202 [0,1,0,0,0,0|1,0,1]=3 5191 B14R0.392 CCCCCCCCCCCCNCF 34a_100000210451_100015361967 [0,1,0,0,0,0|1,0,1]=3 5192 B14R0.392 CCCCCCCCCCCCOCC 34a_100000210810_100000210202 [0,1,0,0,0,0|1,0,1]=3 5193 B14R0.392 CCCCCCCCCCCCOCC 34a_100121572206_100000759014 [0,1,0,0,0,0|1,0,1]=3 5194 B14R0.392 CCCCCCCCCCCCOCC 7a_100000210810_100000210202 [0,1,0,0,0,0|1,0,1]=3 5195 B14R0.392 CCCCCCCCCCCCOCF 34a_100000210810_100015361967 [0,1,0,0,0,0|1,0,1]=3 5196 B14R0.392 CCCCCCCCCCCCOCF 7a_100000210810_100015361967 [0,1,0,0,0,0|1,0,1]=3 5197 B14R0.392 CCCCCCCCCCCCSCC 62a_100000210202_100000759014 [0,1,0,0,0,0|1,0,1]=3 5198 B14R0.392 CCCCCCCCCCCCSCF 62a_100015361967_100000759014 [0,1,0,0,0,0|1,0,1]=3 5199 B14R0.392 CCCCCCCCCCCNCC#N 2230a_200011215754_100011215382 [0,1,0,0,0,0|1,0,1]=3 5200 B14R0.392 CCCCCCCCCCCNCC=O 2230a_200011215754_200015260668 [0,1,0,0,0,0|0,0,0]=1 5201 B14R0.392 CCCCCCCCCCCNCC=O 34a_200011215754_200009817547 [0,1,0,0,0,0|0,0,0]=1 5202 B14R0.392 CCCCCCCCCCCNCCC 2230a_200011215754_100000210303 [0,1,0,0,0,0|1,0,1]=3 5203 B14R0.392 CCCCCCCCCCCNCCC 34a_200011215754_100000210303 [0,1,0,0,0,0|1,0,1]=3 5204 B14R0.392 CCCCCCCCCCCNCCF 2230a_200011215754_100011217306 [0,1,0,0,0,0|1,0,1]=3 5205 B14R0.392 CCCCCCCCCCCNCCF 34a_100000724931_100011215454 [0,1,0,0,0,0|1,0,1]=3 5206 B14R0.392 CCCCCCCCCCCNCCF 34a_200011215754_100011217306 [0,1,0,0,0,0|1,0,1]=3 5207 B14R0.392 CCCCCCCCCCCNCCO 2230a_100016997473_100011215454 [0,1,0,0,0,0|0,0,2]=3 5208 B14R0.392 CCCCCCCCCCCNCCO 2230a_200011215754_100000211926 [0,1,0,0,0,0|0,0,2]=3 5209 B14R0.392 CCCCCCCCCCCNCCO 34a_100016990907_100011215454 [0,1,0,0,0,0|0,0,2]=3 5210 B14R0.392 CCCCCCCCCCCNCCO 34a_200011215754_100000211926 [0,1,0,0,0,0|0,0,2]=3 5211 B14R0.392 CCCCCCCCCCCNCOC 2230a_200011215754_100000766300 [0,1,0,0,0,0|2,0,0]=3 5212 B14R0.392 CCCCCCCCCCCNCSC 2230a_200011215754_100011218213 [0,1,0,0,0,0|2,0,0]=3 5213 B14R0.392 CCCCCCCCCCCNCSC 34a_200011215754_100011218213 [0,1,0,0,0,0|2,0,0]=3 5214 B14R0.392 CCCCCCCCCCCOCC#N 7a_100000210809_100011215382 [0,1,0,0,0,0|1,0,1]=3 5215 B14R0.392 CCCCCCCCCCCOCC=O 34a_100000210809_200009817547 [0,1,0,0,0,0|0,0,0]=1 5216 B14R0.392 CCCCCCCCCCCOCC=O 7a_100000210809_200015260668 [0,1,0,0,0,0|0,0,0]=1 5217 B14R0.392 CCCCCCCCCCCOCCBr 34a_100000211926_100011215454 [0,1,0,0,0,0|1,0,1]=3 5218 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210258_100011215454 [0,1,0,0,0,0|1,0,1]=3 5219 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210809_100000210303 [0,1,0,0,0,0|1,0,1]=3 5220 B14R0.392 CCCCCCCCCCCOCCC 7a_100000210809_100000210303 [0,1,0,0,0,0|1,0,1]=3 5221 B14R0.392 CCCCCCCCCCCOCCF 34a_100000210809_100011217306 [0,1,0,0,0,0|1,0,1]=3 5222 B14R0.392 CCCCCCCCCCCOCCF 7a_100000210809_100011217306 [0,1,0,0,0,0|1,0,1]=3 5223 B14R0.392 CCCCCCCCCCCOCCN 34a_100000210304_100011215454 [0,1,0,0,0,0|1,0,1]=3 5224 B14R0.392 CCCCCCCCCCCOCCO 34a_100000210809_100000211926 [0,1,0,0,0,0|0,0,2]=3 5225 B14R0.392 CCCCCCCCCCCOCCO 7a_100000210809_100000211926 [0,1,0,0,0,0|0,0,2]=3 5226 B14R0.392 CCCCCCCCCCCOCSC 34a_100000210809_100011218213 [0,1,0,0,0,0|2,0,0]=3 5227 B14R0.392 CCCCCCCCCCCSCC#N 62a_100011215382_100011215454 [0,1,0,0,0,0|1,0,1]=3 5228 B14R0.392 CCCCCCCCCCCSCC=O 62a_200015260668_100011215454 [0,1,0,0,0,0|0,0,0]=1 5229 B14R0.392 CCCCCCCCCCCSCCC 62a_100000210303_100011215454 [0,1,0,0,0,0|1,0,1]=3 5230 B14R0.392 CCCCCCCCCCCSCCF 62a_100011217306_100011215454 [0,1,0,0,0,0|1,0,1]=3 5231 B14R0.392 CCCCCCCCCCCSCCO 62a_100000211926_100011215454 [0,1,0,0,0,0|0,0,2]=3 5232 B14R0.392 CCCCCCCCCCCSCOC 62a_100000766300_100011215454 [0,1,0,0,0,0|2,0,0]=3 5233 B14R0.392 CCCCCCCCCCCSCSC 62a_100011218213_100011215454 [0,1,0,0,0,0|2,0,0]=3 5234 B14R0.392 CCCCCCCCCCNCCC#N 2230a_100000684558_100011215226 [0,1,0,0,0,0|1,0,1]=3 5235 B14R0.392 CCCCCCCCCCNCCCC 2230a_100000102301_100000210320 [0,1,0,0,0,0|1,0,1]=3 5236 B14R0.392 CCCCCCCCCCNCCCC 2230a_100000684558_100000210211 [0,1,0,0,0,0|1,0,1]=3 5237 B14R0.392 CCCCCCCCCCNCCCC 34a_100000684558_100000210210 [0,1,0,0,0,0|1,0,1]=3 5238 B14R0.392 CCCCCCCCCCNCCCC 7a_106832991798_100000210320 [0,1,0,0,0,0|1,0,1]=3 5239 B14R0.392 CCCCCCCCCCNCCCF 2230a_100000684558_100011934791 [0,1,0,0,0,0|1,0,1]=3 5240 B14R0.392 CCCCCCCCCCNCCCF 2230a_100015189416_100000210320 [0,1,0,0,0,0|1,0,1]=3 5241 B14R0.392 CCCCCCCCCCNCCCF 34a_100000684558_100011934791 [0,1,0,0,0,0|1,0,1]=3 5242 B14R0.392 CCCCCCCCCCNCCCF 34a_100015189416_100000210320 [0,1,0,0,0,0|1,0,1]=3 5243 B14R0.392 CCCCCCCCCCNCCCO 2230a_100000684558_100000230001 [0,1,0,0,0,0|0,0,2]=3 5244 B14R0.392 CCCCCCCCCCNCCCO 34a_100000684558_100000230001 [0,1,0,0,0,0|0,0,2]=3 5245 B14R0.392 CCCCCCCCCCNCCOC 2230a_100000209980_100000210320 [0,1,0,0,0,0|2,0,0]=3 5246 B14R0.392 CCCCCCCCCCNCCOC 2230a_100000684558_100011201679 [0,1,0,0,0,0|2,0,0]=3 5247 B14R0.392 CCCCCCCCCCNCCOC 34a_100000684558_100011201679 [0,1,0,0,0,0|2,0,0]=3 5248 B14R0.392 CCCCCCCCCCNCCSC 2230a_100000684558_100000751147 [0,1,0,0,0,0|2,0,0]=3 5249 B14R0.392 CCCCCCCCCCNCCSC 2230a_100020590264_100000210320 [0,1,0,0,0,0|2,0,0]=3 5250 B14R0.392 CCCCCCCCCCNCCSC 34a_100000684558_100000212216 [0,1,0,0,0,0|2,0,0]=3 5251 B14R0.392 CCCCCCCCCCOCCC#N 7a_100000210711_100000184422 [0,1,0,0,0,0|1,0,1]=3 5252 B14R0.392 CCCCCCCCCCOCCCBr 34a_100011217188_100000210320 [0,1,0,0,0,0|1,0,1]=3 5253 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210227_100000210320 [0,1,0,0,0,0|1,0,1]=3 5254 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210711_100000210210 [0,1,0,0,0,0|1,0,1]=3 5255 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210227_100000210320 [0,1,0,0,0,0|1,0,1]=3 5256 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210711_100000210211 [0,1,0,0,0,0|1,0,1]=3 5257 B14R0.392 CCCCCCCCCCOCCCCl 34a_100000230001_100000210320 [0,1,0,0,0,0|1,0,1]=3 5258 B14R0.392 CCCCCCCCCCOCCCF 34a_100000210711_100011934791 [0,1,0,0,0,0|1,0,1]=3 5259 B14R0.392 CCCCCCCCCCOCCCF 34a_100000759539_100000210320 [0,1,0,0,0,0|1,0,1]=3 5260 B14R0.392 CCCCCCCCCCOCCCF 7a_100000210711_100011934791 [0,1,0,0,0,0|1,0,1]=3 5261 B14R0.392 CCCCCCCCCCOCCCN 34a_100000182051_100000210320 [0,1,0,0,0,0|1,0,1]=3 5262 B14R0.392 CCCCCCCCCCOCCCO 34a_100000210711_100000230001 [0,1,0,0,0,0|0,0,2]=3 5263 B14R0.392 CCCCCCCCCCOCCCO 7a_100000210711_100011215043 [0,1,0,0,0,0|0,0,2]=3 5264 B14R0.392 CCCCCCCCCCOCCOC 34a_100000210237_100000210320 [0,1,0,0,0,0|2,0,0]=3 5265 B14R0.392 CCCCCCCCCCOCCOC 34a_100000210711_100011201679 [0,1,0,0,0,0|2,0,0]=3 5266 B14R0.392 CCCCCCCCCCOCCOC 7a_100000210711_100000233755 [0,1,0,0,0,0|2,0,0]=3 5267 B14R0.392 CCCCCCCCCCOCCON 34a_100000700252_100000210320 [0,1,0,0,0,0|2,0,0]=3 5268 B14R0.392 CCCCCCCCCCOCCSC 34a_100000210711_100000212216 [0,1,0,0,0,0|2,0,0]=3 5269 B14R0.392 CCCCCCCCCCOCCSC 34a_100000230434_100000210320 [0,1,0,0,0,0|2,0,0]=3 5270 B14R0.392 CCCCCCCCCCOCCSC 7a_100000210711_100000212216 [0,1,0,0,0,0|2,0,0]=3 5271 B14R0.392 CCCCCCCCCCOCCSC 7a_100000230434_100000210320 [0,1,0,0,0,0|2,0,0]=3 5272 B14R0.392 CCCCCCCCCCSCCC#N 62a_100011215226_100000210320 [0,1,0,0,0,0|1,0,1]=3 5273 B14R0.392 CCCCCCCCCCSCCCC 62a_100000210211_100000210320 [0,1,0,0,0,0|1,0,1]=3 5274 B14R0.392 CCCCCCCCCCSCCCF 62a_100011934791_100000210320 [0,1,0,0,0,0|1,0,1]=3 5275 B14R0.392 CCCCCCCCCCSCCCO 62a_100011215043_100000210320 [0,1,0,0,0,0|0,0,2]=3 5276 B14R0.392 CCCCCCCCCCSCCOC 34a_100011628728_200000210301 [0,1,0,0,0,0|2,0,0]=3 5277 B14R0.392 CCCCCCCCCCSCCOC 62a_100000233755_100000210320 [0,1,0,0,0,0|2,0,0]=3 5278 B14R0.392 CCCCCCCCCCSCCOC 7a_100011628728_200000210301 [0,1,0,0,0,0|2,0,0]=3 5279 B14R0.392 CCCCCCCCCCSCCO[13CH3] 34a_100011628728_200025704644 [0,1,0,0,0,0|2,0,0]=3 5280 B14R0.392 CCCCCCCCCCSCCO[13CH3] 7a_100011628728_200025704644 [0,1,0,0,0,0|2,0,0]=3 5281 B14R0.392 CCCCCCCCCCSCCSC 62a_100000212216_100000210320 [0,1,0,0,0,0|2,0,0]=3 5282 B14R0.392 CCCCCCCCCCSCOCC 62a_100000739092_100000210320 [0,1,0,0,0,0|2,0,1]=4 5283 B14R0.392 CCCCCCCCCCSCSC#N 62a_100000211825_100000210320 [0,1,0,0,0,0|2,0,1]=4 5284 B14R0.392 CCCCCCCCCNCCCC#N 2230a_100000212291_100000687738 [0,1,0,0,0,0|1,0,1]=3 5285 B14R0.392 CCCCCCCCCNCCCC=O 2230a_100000212291_200011292268 [0,1,0,0,0,0|0,0,0]=1 5286 B14R0.392 CCCCCCCCCNCCCCC 2230a_100000209983_100011214924 [0,1,0,0,0,0|1,0,1]=3 5287 B14R0.392 CCCCCCCCCNCCCCC 2230a_100000212291_100000210326 [0,1,0,0,0,0|1,0,1]=3 5288 B14R0.392 CCCCCCCCCNCCCCC 34a_100000212291_100000718602 [0,1,0,0,0,0|1,0,1]=3 5289 B14R0.392 CCCCCCCCCNCCCCF 2230a_100000212291_100000729493 [0,1,0,0,0,0|1,0,1]=3 5290 B14R0.392 CCCCCCCCCNCCCCF 34a_100000212291_100000729493 [0,1,0,0,0,0|1,0,1]=3 5291 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000212291_100000210776 [0,1,0,0,0,0|0,0,2]=3 5292 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000750430_100011214924 [0,1,0,0,0,0|0,0,2]=3 5293 B14R0.392 CCCCCCCCCNCCCCO 34a_100000212291_100011216708 [0,1,0,0,0,0|0,0,2]=3 5294 B14R0.392 CCCCCCCCCNCCCCO 34a_100000750430_100011214924 [0,1,0,0,0,0|0,0,2]=3 5295 B14R0.392 CCCCCCCCCNCCCOC 2230a_100000212291_100000740836 [0,1,0,0,0,0|2,0,0]=3 5296 B14R0.392 CCCCCCCCCNCCCOC 34a_100000212291_100000740836 [0,1,0,0,0,0|2,0,0]=3 5297 B14R0.392 CCCCCCCCCNCCCOC 34a_100150723488_100011214924 [0,1,0,0,0,0|2,0,0]=3 5298 B14R0.392 CCCCCCCCCNCCCSC 2230a_100000749238_100011214924 [0,1,0,0,0,0|2,0,0]=3 5299 B14R0.392 CCCCCCCCCNCCOCC 2230a_100000212291_100011215890 [0,1,0,0,0,0|2,0,1]=4 5300 B14R0.392 CCCCCCCCCNCCOCC 2230a_102516460346_100011214924 [0,1,0,0,0,0|2,0,1]=4 5301 B14R0.392 CCCCCCCCCNCCOCC 34a_100000212291_100000210147 [0,1,0,0,0,0|2,0,1]=4 5302 B14R0.392 CCCCCCCCCNCCOCC 34a_102516460346_100011214924 [0,1,0,0,0,0|2,0,1]=4 5303 B14R0.392 CCCCCCCCCNCCSCC 2230a_100000106463_100011214924 [0,1,0,0,0,0|2,0,1]=4 5304 B14R0.392 CCCCCCCCCNCCSCC 2230a_100000212291_100000757381 [0,1,0,0,0,0|2,0,1]=4 5305 B14R0.392 CCCCCCCCCNCCSCC 34a_100000212291_100000757381 [0,1,0,0,0,0|2,0,1]=4 5306 B14R0.392 CCCCCCCCCOCCCC#N 7a_100000210712_100000687738 [0,1,0,0,0,0|1,0,1]=3 5307 B14R0.392 CCCCCCCCCOCCCC=O 7a_100000210712_200011292268 [0,1,0,0,0,0|0,0,0]=1 5308 B14R0.392 CCCCCCCCCOCCCCBr 34a_100011216708_100011214924 [0,1,0,0,0,0|1,0,1]=3 5309 B14R0.392 CCCCCCCCCOCCCCC 34a_100000210253_100011214924 [0,1,0,0,0,0|1,0,1]=3 5310 B14R0.392 CCCCCCCCCOCCCCC 34a_100000210712_100000718602 [0,1,0,0,0,0|1,0,1]=3 5311 B14R0.392 CCCCCCCCCOCCCCC 7a_100000210253_100000210328 [0,1,0,0,0,0|1,0,1]=3 5312 B14R0.392 CCCCCCCCCOCCCCC 7a_100000210712_100000210326 [0,1,0,0,0,0|1,0,1]=3 5313 B14R0.392 CCCCCCCCCOCCCCCl 34a_100000210776_100011214924 [0,1,0,0,0,0|1,0,1]=3 5314 B14R0.392 CCCCCCCCCOCCCCCl 7a_100000210776_100000210328 [0,1,0,0,0,0|1,0,1]=3 5315 B14R0.392 CCCCCCCCCOCCCCF 34a_100000210712_100000729493 [0,1,0,0,0,0|1,0,1]=3 5316 B14R0.392 CCCCCCCCCOCCCCF 34a_100011995726_100011214924 [0,1,0,0,0,0|1,0,1]=3 5317 B14R0.392 CCCCCCCCCOCCCCF 7a_100000210712_100000729493 [0,1,0,0,0,0|1,0,1]=3 5318 B14R0.392 CCCCCCCCCOCCCCF 7a_100011995726_100000210328 [0,1,0,0,0,0|1,0,1]=3 5319 B14R0.392 CCCCCCCCCOCCCCI 34a_200012148704_100011214924 [0,1,0,0,0,0|1,0,1]=3 5320 B14R0.392 CCCCCCCCCOCCCCN 34a_100000750430_100011214924 [0,1,0,0,0,0|1,0,1]=3 5321 B14R0.392 CCCCCCCCCOCCCCO 34a_100000210712_100011216708 [0,1,0,0,0,0|0,0,2]=3 5322 B14R0.392 CCCCCCCCCOCCCCO 7a_100000210712_100000210776 [0,1,0,0,0,0|0,0,2]=3 5323 B14R0.392 CCCCCCCCCOCCCNC 34a_100000213112_100011214924 [0,1,0,0,0,0|2,0,0]=3 5324 B14R0.392 CCCCCCCCCOCCCOC 34a_100000210712_100000740836 [0,1,0,0,0,0|2,0,0]=3 5325 B14R0.392 CCCCCCCCCOCCCOC 34a_100000740835_100011214924 [0,1,0,0,0,0|2,0,0]=3 5326 B14R0.392 CCCCCCCCCOCCCOC 7a_100000210712_100000740836 [0,1,0,0,0,0|2,0,0]=3 5327 B14R0.392 CCCCCCCCCOCCCSC 34a_100000690336_100011214924 [0,1,0,0,0,0|2,0,0]=3 5328 B14R0.392 CCCCCCCCCOCCCSC 7a_100000690336_100000210328 [0,1,0,0,0,0|2,0,0]=3 5329 B14R0.392 CCCCCCCCCOCCOCC 34a_100000210136_100011214924 [0,1,0,0,0,0|2,0,1]=4 5330 B14R0.392 CCCCCCCCCOCCOCC 34a_100000210712_100000210147 [0,1,0,0,0,0|2,0,1]=4 5331 B14R0.392 CCCCCCCCCOCCOCC 7a_100000210136_100000210328 [0,1,0,0,0,0|2,0,1]=4 5332 B14R0.392 CCCCCCCCCOCCOCC 7a_100000210712_100011215890 [0,1,0,0,0,0|2,0,1]=4 5333 B14R0.392 CCCCCCCCCOCCSCC 34a_100000210712_100000757381 [0,1,0,0,0,0|2,0,1]=4 5334 B14R0.392 CCCCCCCCCOCCSCC 34a_100000212035_100011214924 [0,1,0,0,0,0|2,0,1]=4 5335 B14R0.392 CCCCCCCCCOCCSCC 7a_100000210712_100000757381 [0,1,0,0,0,0|2,0,1]=4 5336 B14R0.392 CCCCCCCCCOCCSCC 7a_100000212035_100000210328 [0,1,0,0,0,0|2,0,1]=4 5337 B14R0.392 CCCCCCCCCSCCCC#N 62a_100000687738_100000210670 [0,1,0,0,0,0|1,0,1]=3 5338 B14R0.392 CCCCCCCCCSCCCC=O 62a_200011292268_100000210670 [0,1,0,0,0,0|0,0,0]=1 5339 B14R0.392 CCCCCCCCCSCCCCC 62a_100000210326_100000210670 [0,1,0,0,0,0|1,0,1]=3 5340 B14R0.392 CCCCCCCCCSCCCCF 62a_100000729493_100000210670 [0,1,0,0,0,0|1,0,1]=3 5341 B14R0.392 CCCCCCCCCSCCCCO 62a_100000210776_100000210670 [0,1,0,0,0,0|0,0,2]=3 5342 B14R0.392 CCCCCCCCCSCCCOC 62a_100000709357_100000210670 [0,1,0,0,0,0|2,0,0]=3 5343 B14R0.392 CCCCCCCCCSCCOCC 62a_100000210147_100000210670 [0,1,0,0,0,0|2,0,1]=4 5344 B14R0.392 CCCCCCCCCSCCSC#N 62a_100000034367_100000210670 [0,1,0,0,0,0|2,0,1]=4 5345 B14R0.392 CCCCCCCCCSCCSCC 62a_100000757381_100000210670 [0,1,0,0,0,0|2,0,1]=4 5346 B14R0.392 CCCCCCCCNCCCCC#N 2230a_100000229939_100000211819 [0,1,0,0,0,0|1,0,1]=3 5347 B14R0.392 CCCCCCCCNCCCCC=O 2230a_100000229939_100000139335 [0,1,0,0,0,0|0,0,0]=1 5348 B14R0.392 CCCCCCCCNCCCCCC 2230a_100000210581_100000210759 [0,1,0,0,0,0|1,0,1]=3 5349 B14R0.392 CCCCCCCCNCCCCCC 2230a_100000229939_100000210314 [0,1,0,0,0,0|1,0,1]=3 5350 B14R0.392 CCCCCCCCNCCCCCC 34a_100000229939_100000210314 [0,1,0,0,0,0|1,0,1]=3 5351 B14R0.392 CCCCCCCCNCCCCCF 2230a_100000229939_100000729378 [0,1,0,0,0,0|1,0,1]=3 5352 B14R0.392 CCCCCCCCNCCCCCF 34a_100000229939_100000729378 [0,1,0,0,0,0|1,0,1]=3 5353 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000229939_100000746330 [0,1,0,0,0,0|0,0,2]=3 5354 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000762737_100000210759 [0,1,0,0,0,0|0,0,2]=3 5355 B14R0.392 CCCCCCCCNCCCCCO 34a_100000229939_100000746330 [0,1,0,0,0,0|0,0,2]=3 5356 B14R0.392 CCCCCCCCNCCCCCO 34a_100000762737_100000210759 [0,1,0,0,0,0|0,0,2]=3 5357 B14R0.392 CCCCCCCCNCCCCOC 2230a_100000229939_100000730899 [0,1,0,0,0,0|2,0,0]=3 5358 B14R0.392 CCCCCCCCNCCCCOC 34a_100000229939_100000755781 [0,1,0,0,0,0|2,0,0]=3 5359 B14R0.392 CCCCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210759 [0,1,0,0,0,0|3,0,0]=4 5360 B14R0.392 CCCCCCCCNCCCOCC 2230a_100000210961_100000210759 [0,1,0,0,0,0|2,0,1]=4 5361 B14R0.392 CCCCCCCCNCCCOCC 2230a_100000229939_100012232248 [0,1,0,0,0,0|2,0,1]=4 5362 B14R0.392 CCCCCCCCNCCCOCC 34a_100000210961_100000210759 [0,1,0,0,0,0|2,0,1]=4 5363 B14R0.392 CCCCCCCCNCCCOCC 34a_100000229939_100012232248 [0,1,0,0,0,0|2,0,1]=4 5364 B14R0.392 CCCCCCCCNCCOCC#N 2230a_100000229939_200000047693 [0,1,0,0,0,0|2,0,1]=4 5365 B14R0.392 CCCCCCCCNCCOCCC 2230a_100000229939_100011215938 [0,1,0,0,0,0|2,0,1]=4 5366 B14R0.392 CCCCCCCCNCCOCCC 2230a_100161115042_100000210759 [0,1,0,0,0,0|2,0,1]=4 5367 B14R0.392 CCCCCCCCNCCOCCC 34a_100000229939_100011215938 [0,1,0,0,0,0|2,0,1]=4 5368 B14R0.392 CCCCCCCCNCCOCCC 34a_100161115042_100000210759 [0,1,0,0,0,0|2,0,1]=4 5369 B14R0.392 CCCCCCCCNCCOCCO 2230a_100000211614_100000210759 [0,1,0,0,0,0|1,0,2]=4 5370 B14R0.392 CCCCCCCCNCCOCCO 2230a_100000229939_100011215305 [0,1,0,0,0,0|1,0,2]=4 5371 B14R0.392 CCCCCCCCNCCOCCO 34a_100000211614_100000210759 [0,1,0,0,0,0|1,0,2]=4 5372 B14R0.392 CCCCCCCCNCCOCCO 34a_100000229939_100000692535 [0,1,0,0,0,0|1,0,2]=4 5373 B14R0.392 CCCCCCCCNCCSCCC 2230a_100020603323_100000210759 [0,1,0,0,0,0|2,0,1]=4 5374 B14R0.392 CCCCCCCCNCCSCCO 2230a_100011219999_100000210759 [0,1,0,0,0,0|1,0,2]=4 5375 B14R0.392 CCCCCCCCNCOCCCC 2230a_100000229939_100011995733 [0,1,0,0,0,0|2,0,1]=4 5376 B14R0.392 CCCCCCCCNCOCCCC 34a_100000229939_100011995733 [0,1,0,0,0,0|2,0,1]=4 5377 B14R0.392 CCCCCCCCNCOCCOC 2230a_100000229939_100000231047 [0,1,0,0,0,0|3,0,0]=4 5378 B14R0.392 CCCCCCCCOCCCCC#N 7a_100000210232_100000211819 [0,1,0,0,0,0|1,0,1]=3 5379 B14R0.392 CCCCCCCCOCCCCC=O 7a_100000210232_100000139335 [0,1,0,0,0,0|0,0,0]=1 5380 B14R0.392 CCCCCCCCOCCCCCBr 34a_100000746331_100000210759 [0,1,0,0,0,0|1,0,1]=3 5381 B14R0.392 CCCCCCCCOCCCCCBr 7a_100000746331_100000210759 [0,1,0,0,0,0|1,0,1]=3 5382 B14R0.392 CCCCCCCCOCCCCCC 34a_100000210232_100000210314 [0,1,0,0,0,0|1,0,1]=3 5383 B14R0.392 CCCCCCCCOCCCCCC 34a_100000210259_100000210759 [0,1,0,0,0,0|1,0,1]=3 5384 B14R0.392 CCCCCCCCOCCCCCC 7a_100000210232_100000210314 [0,1,0,0,0,0|1,0,1]=3 5385 B14R0.392 CCCCCCCCOCCCCCC 7a_100000210259_100000210759 [0,1,0,0,0,0|1,0,1]=3 5386 B14R0.392 CCCCCCCCOCCCCCCl 34a_100000746330_100000210759 [0,1,0,0,0,0|1,0,1]=3 5387 B14R0.392 CCCCCCCCOCCCCCCl 7a_100000746330_100000210759 [0,1,0,0,0,0|1,0,1]=3 5388 B14R0.392 CCCCCCCCOCCCCCF 34a_100000210232_100000729378 [0,1,0,0,0,0|1,0,1]=3 5389 B14R0.392 CCCCCCCCOCCCCCF 7a_100000210232_100000729378 [0,1,0,0,0,0|1,0,1]=3 5390 B14R0.392 CCCCCCCCOCCCCCI 34a_200012148887_100000210759 [0,1,0,0,0,0|1,0,1]=3 5391 B14R0.392 CCCCCCCCOCCCCCI 7a_200012148887_100000210759 [0,1,0,0,0,0|1,0,1]=3 5392 B14R0.392 CCCCCCCCOCCCCCN 34a_100000762737_100000210759 [0,1,0,0,0,0|1,0,1]=3 5393 B14R0.392 CCCCCCCCOCCCCCO 34a_100000210232_100000746330 [0,1,0,0,0,0|0,0,2]=3 5394 B14R0.392 CCCCCCCCOCCCCCO 7a_100000210232_100000746330 [0,1,0,0,0,0|0,0,2]=3 5395 B14R0.392 CCCCCCCCOCCCCOC 34a_100000210232_100000755781 [0,1,0,0,0,0|2,0,0]=3 5396 B14R0.392 CCCCCCCCOCCCCOC 34a_100000740925_100000210759 [0,1,0,0,0,0|2,0,0]=3 5397 B14R0.392 CCCCCCCCOCCCCOC 7a_100000210232_100000730899 [0,1,0,0,0,0|2,0,0]=3 5398 B14R0.392 CCCCCCCCOCCCCSC 34a_100011217163_100000210759 [0,1,0,0,0,0|2,0,0]=3 5399 B14R0.392 CCCCCCCCOCCCCSC 7a_100011217163_100000210759 [0,1,0,0,0,0|2,0,0]=3 5400 B14R0.392 CCCCCCCCOCCCOCC 34a_100000210232_100012232248 [0,1,0,0,0,0|2,0,1]=4 5401 B14R0.392 CCCCCCCCOCCCOCC 34a_100000757476_100000210759 [0,1,0,0,0,0|2,0,1]=4 5402 B14R0.392 CCCCCCCCOCCCOCC 7a_100000210232_100012232248 [0,1,0,0,0,0|2,0,1]=4 5403 B14R0.392 CCCCCCCCOCCCOCC 7a_100000757476_100000210759 [0,1,0,0,0,0|2,0,1]=4 5404 B14R0.392 CCCCCCCCOCCCSCC 34a_100011216438_100000210759 [0,1,0,0,0,0|2,0,1]=4 5405 B14R0.392 CCCCCCCCOCCCSCC 7a_100011216438_100000210759 [0,1,0,0,0,0|2,0,1]=4 5406 B14R0.392 CCCCCCCCOCCOCC#N 7a_100000210232_200000047693 [0,1,0,0,0,0|2,0,1]=4 5407 B14R0.392 CCCCCCCCOCCOCCBr 34a_100000692535_100000210759 [0,1,0,0,0,0|2,0,1]=4 5408 B14R0.392 CCCCCCCCOCCOCCBr 7a_100000692535_100000210759 [0,1,0,0,0,0|2,0,1]=4 5409 B14R0.392 CCCCCCCCOCCOCCC 34a_100000210232_100011215938 [0,1,0,0,0,0|2,0,1]=4 5410 B14R0.392 CCCCCCCCOCCOCCC 34a_100000752267_100000210759 [0,1,0,0,0,0|2,0,1]=4 5411 B14R0.392 CCCCCCCCOCCOCCC 7a_100000210232_100011215938 [0,1,0,0,0,0|2,0,1]=4 5412 B14R0.392 CCCCCCCCOCCOCCC 7a_100000752267_100000210759 [0,1,0,0,0,0|2,0,1]=4 5413 B14R0.392 CCCCCCCCOCCOCCCl 34a_100011215305_100000210759 [0,1,0,0,0,0|2,0,1]=4 5414 B14R0.392 CCCCCCCCOCCOCCCl 7a_100011215305_100000210759 [0,1,0,0,0,0|2,0,1]=4 5415 B14R0.392 CCCCCCCCOCCOCCF 34a_200015357709_100000210759 [0,1,0,0,0,0|2,0,1]=4 5416 B14R0.392 CCCCCCCCOCCOCCF 7a_200015357709_100000210759 [0,1,0,0,0,0|2,0,1]=4 5417 B14R0.392 CCCCCCCCOCCOCCI 34a_100012149058_100000210759 [0,1,0,0,0,0|2,0,1]=4 5418 B14R0.392 CCCCCCCCOCCOCCI 7a_100012149058_100000210759 [0,1,0,0,0,0|2,0,1]=4 5419 B14R0.392 CCCCCCCCOCCOCCN 34a_100000211614_100000210759 [0,1,0,0,0,0|2,0,1]=4 5420 B14R0.392 CCCCCCCCOCCOCCO 34a_100000210232_100000692535 [0,1,0,0,0,0|1,0,2]=4 5421 B14R0.392 CCCCCCCCOCCOCCO 7a_100000210232_100011215305 [0,1,0,0,0,0|1,0,2]=4 5422 B14R0.392 CCCCCCCCOCCSCCC 34a_200000230433_100000210759 [0,1,0,0,0,0|2,0,1]=4 5423 B14R0.392 CCCCCCCCOCCSCCC 7a_200000230433_100000210759 [0,1,0,0,0,0|2,0,1]=4 5424 B14R0.392 CCCCCCCCOCOCCCC 34a_100000210232_100011995733 [0,1,0,0,0,0|2,0,1]=4 5425 B14R0.392 CCCCCCCCSCCCCC#N 62a_100000210759_100000211819 [0,1,0,0,0,0|1,0,1]=3 5426 B14R0.392 CCCCCCCCSCCCCC#N 62a_100011219923_100000210317 [0,1,0,0,0,0|1,0,1]=3 5427 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000139335_100000210317 [0,1,0,0,0,0|0,0,0]=1 5428 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000210759_100000139335 [0,1,0,0,0,0|0,0,0]=1 5429 B14R0.392 CCCCCCCCSCCCCCC 62a_100000210314_100000210317 [0,1,0,0,0,0|1,0,1]=3 5430 B14R0.392 CCCCCCCCSCCCCCC 62a_100000210759_100000210757 [0,1,0,0,0,0|1,0,1]=3 5431 B14R0.392 CCCCCCCCSCCCCCF 62a_100000210759_100000729378 [0,1,0,0,0,0|1,0,1]=3 5432 B14R0.392 CCCCCCCCSCCCCCF 62a_100000729378_100000210317 [0,1,0,0,0,0|1,0,1]=3 5433 B14R0.392 CCCCCCCCSCCCCCO 62a_100000210759_100000746330 [0,1,0,0,0,0|0,0,2]=3 5434 B14R0.392 CCCCCCCCSCCCCCO 62a_100000746330_100000210317 [0,1,0,0,0,0|0,0,2]=3 5435 B14R0.392 CCCCCCCCSCCCCOC 62a_100000210759_100000730899 [0,1,0,0,0,0|2,0,0]=3 5436 B14R0.392 CCCCCCCCSCCCCOC 62a_100000730899_100000210317 [0,1,0,0,0,0|2,0,0]=3 5437 B14R0.392 CCCCCCCCSCCCOCC 62a_100000210759_100012232248 [0,1,0,0,0,0|2,0,1]=4 5438 B14R0.392 CCCCCCCCSCCCOCC 62a_100012232248_100000210317 [0,1,0,0,0,0|2,0,1]=4 5439 B14R0.392 CCCCCCCCSCCOCC#N 62a_100000210759_200000047693 [0,1,0,0,0,0|2,0,1]=4 5440 B14R0.392 CCCCCCCCSCCOCC#N 62a_200000047693_100000210317 [0,1,0,0,0,0|2,0,1]=4 5441 B14R0.392 CCCCCCCCSCCOCCC 62a_100000210759_100011215938 [0,1,0,0,0,0|2,0,1]=4 5442 B14R0.392 CCCCCCCCSCCOCCC 62a_100011215938_100000210317 [0,1,0,0,0,0|2,0,1]=4 5443 B14R0.392 CCCCCCCCSCCOCCO 62a_100000210759_100011215305 [0,1,0,0,0,0|1,0,2]=4 5444 B14R0.392 CCCCCCCCSCCOCCO 62a_100011215305_100000210317 [0,1,0,0,0,0|1,0,2]=4 5445 B14R0.392 CCCCCCCCSCOCCCC 62a_100000210759_100011995733 [0,1,0,0,0,0|2,0,1]=4 5446 B14R0.392 CCCCCCCCSCOCCCC 62a_100011995733_100000210317 [0,1,0,0,0,0|2,0,1]=4 5447 B14R0.392 CCCCCCCCSCOCCOC 62a_100000210759_100000231047 [0,1,0,0,0,0|3,0,0]=4 5448 B14R0.392 CCCCCCCCSCOCCOC 62a_100000231047_100000210317 [0,1,0,0,0,0|3,0,0]=4 5449 B14R0.392 CCCCCCCNCCCCCC#N 2230a_100000229938_100009813376 [0,1,0,0,0,0|1,0,1]=3 5450 B14R0.392 CCCCCCCNCCCCCC=O 2230a_100000229938_100000139337 [0,1,0,0,0,0|0,0,0]=1 5451 B14R0.392 CCCCCCCNCCCCCCC 2230a_100000229938_100000210681 [0,1,0,0,0,0|1,0,1]=3 5452 B14R0.392 CCCCCCCNCCCCCCF 2230a_100000229938_100015922095 [0,1,0,0,0,0|1,0,1]=3 5453 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000229938_100000766143 [0,1,0,0,0,0|0,0,2]=3 5454 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000686447_100000210681 [0,1,0,0,0,0|0,0,2]=3 5455 B14R0.392 CCCCCCCNCCCCCCO 34a_100000686447_100000210614 [0,1,0,0,0,0|0,0,2]=3 5456 B14R0.392 CCCCCCCNCCCCCOC 2230a_100000747528_100000210681 [0,1,0,0,0,0|2,0,0]=3 5457 B14R0.392 CCCCCCCNCCCCCOC 34a_100000747528_100000210614 [0,1,0,0,0,0|2,0,0]=3 5458 B14R0.392 CCCCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210681 [0,1,0,0,0,0|3,0,0]=4 5459 B14R0.392 CCCCCCCNCCCOCCC 2230a_100011217757_100000210681 [0,1,0,0,0,0|2,0,1]=4 5460 B14R0.392 CCCCCCCNCCCOCCC 34a_100011217757_100000210614 [0,1,0,0,0,0|2,0,1]=4 5461 B14R0.392 CCCCCCCNCCOCCCC 2230a_100000229938_100000743108 [0,1,0,0,0,0|2,0,1]=4 5462 B14R0.392 CCCCCCCNCCOCCOC 2230a_100000229938_100000695917 [0,1,0,0,0,0|3,0,0]=4 5463 B14R0.392 CCCCCCCNCCOCCOC 2230a_100000745349_100000210681 [0,1,0,0,0,0|3,0,0]=4 5464 B14R0.392 CCCCCCCNCCOCCOC 34a_100000745349_100000210614 [0,1,0,0,0,0|3,0,0]=4 5465 B14R0.392 CCCCCCCNCCSCCCC 2230a_100025743550_100000210681 [0,1,0,0,0,0|2,0,1]=4 5466 B14R0.392 CCCCCCCOCCCCCC#N 7a_100000210272_100009813376 [0,1,0,0,0,0|1,0,1]=3 5467 B14R0.392 CCCCCCCOCCCCCC=O 7a_100000210272_100000139337 [0,1,0,0,0,0|0,0,0]=1 5468 B14R0.392 CCCCCCCOCCCCCCBr 34a_100011215345_100000210614 [0,1,0,0,0,0|1,0,1]=3 5469 B14R0.392 CCCCCCCOCCCCCCBr 7a_100011215345_100000210614 [0,1,0,0,0,0|1,0,1]=3 5470 B14R0.392 CCCCCCCOCCCCCCC 34a_100000210272_100000210614 [0,1,0,0,0,0|1,0,1]=3 5471 B14R0.392 CCCCCCCOCCCCCCC 7a_100000210272_100000210614 [0,1,0,0,0,0|1,0,1]=3 5472 B14R0.392 CCCCCCCOCCCCCCCl 34a_100000766143_100000210614 [0,1,0,0,0,0|1,0,1]=3 5473 B14R0.392 CCCCCCCOCCCCCCCl 7a_100000766143_100000210614 [0,1,0,0,0,0|1,0,1]=3 5474 B14R0.392 CCCCCCCOCCCCCCF 34a_100000210272_100015922095 [0,1,0,0,0,0|1,0,1]=3 5475 B14R0.392 CCCCCCCOCCCCCCF 34a_100000732779_100000210614 [0,1,0,0,0,0|1,0,1]=3 5476 B14R0.392 CCCCCCCOCCCCCCF 7a_100000210272_100015922095 [0,1,0,0,0,0|1,0,1]=3 5477 B14R0.392 CCCCCCCOCCCCCCF 7a_100000732779_100000210614 [0,1,0,0,0,0|1,0,1]=3 5478 B14R0.392 CCCCCCCOCCCCCCN 34a_100000686447_100000210614 [0,1,0,0,0,0|1,0,1]=3 5479 B14R0.392 CCCCCCCOCCCCCCO 34a_100000210272_100000766143 [0,1,0,0,0,0|0,0,2]=3 5480 B14R0.392 CCCCCCCOCCCCCCO 7a_100000210272_100000766143 [0,1,0,0,0,0|0,0,2]=3 5481 B14R0.392 CCCCCCCOCCCCCNC 34a_100000722520_100000210614 [0,1,0,0,0,0|2,0,0]=3 5482 B14R0.392 CCCCCCCOCCOCCCC 34a_100000210238_100000210614 [0,1,0,0,0,0|2,0,1]=4 5483 B14R0.392 CCCCCCCOCCOCCCC 34a_100000210272_100000743108 [0,1,0,0,0,0|2,0,1]=4 5484 B14R0.392 CCCCCCCOCCOCCCC 7a_100000210238_100000210614 [0,1,0,0,0,0|2,0,1]=4 5485 B14R0.392 CCCCCCCOCCOCCCC 7a_100000210272_100000743108 [0,1,0,0,0,0|2,0,1]=4 5486 B14R0.392 CCCCCCCOCCOCCNC 34a_100000228057_100000210614 [0,1,0,0,0,0|3,0,0]=4 5487 B14R0.392 CCCCCCCOCCOCCOC 34a_100000210272_100000695917 [0,1,0,0,0,0|3,0,0]=4 5488 B14R0.392 CCCCCCCOCCOCCOC 34a_100011215163_100000210614 [0,1,0,0,0,0|3,0,0]=4 5489 B14R0.392 CCCCCCCOCCOCCOC 7a_100000210272_100000695917 [0,1,0,0,0,0|3,0,0]=4 5490 B14R0.392 CCCCCCCOCCOCCOC 7a_100011215163_100000210614 [0,1,0,0,0,0|3,0,0]=4 5491 B14R0.392 CCCCCCCOCCSCCCC 34a_200000230436_100000210614 [0,1,0,0,0,0|2,0,1]=4 5492 B14R0.392 CCCCCCCOCCSCCCC 7a_200000230436_100000210614 [0,1,0,0,0,0|2,0,1]=4 5493 B14R0.392 CCCCCCCSCCCCCC#N 62a_100000210614_100009813376 [0,1,0,0,0,0|1,0,1]=3 5494 B14R0.392 CCCCCCCSCCCCCC#N 62a_100009813376_100000210316 [0,1,0,0,0,0|1,0,1]=3 5495 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000139337_100000210316 [0,1,0,0,0,0|0,0,0]=1 5496 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000210614_100000139337 [0,1,0,0,0,0|0,0,0]=1 5497 B14R0.392 CCCCCCCSCCCCCCC 62a_100000210614_100000210316 [0,1,0,0,0,0|1,0,1]=3 5498 B14R0.392 CCCCCCCSCCCCCCF 62a_100000210614_100015922095 [0,1,0,0,0,0|1,0,1]=3 5499 B14R0.392 CCCCCCCSCCCCCCF 62a_100015922095_100000210316 [0,1,0,0,0,0|1,0,1]=3 5500 B14R0.392 CCCCCCCSCCCCCCO 62a_100000210614_100000766143 [0,1,0,0,0,0|0,0,2]=3 5501 B14R0.392 CCCCCCCSCCCCCCO 62a_100000766143_100000210316 [0,1,0,0,0,0|0,0,2]=3 5502 B14R0.392 CCCCCCCSCCOCCCC 62a_100000210614_100000743108 [0,1,0,0,0,0|2,0,1]=4 5503 B14R0.392 CCCCCCCSCCOCCCC 62a_100000743108_100000210316 [0,1,0,0,0,0|2,0,1]=4 5504 B14R0.392 CCCCCCCSCCOCCOC 62a_100000210614_100000695917 [0,1,0,0,0,0|3,0,0]=4 5505 B14R0.392 CCCCCCCSCCOCCOC 62a_100000695917_100000210316 [0,1,0,0,0,0|3,0,0]=4 5506 B14R0.392 CCCCCCNCCCCCCC#N 2230a_100000210581_100009813337 [0,1,0,0,0,0|1,0,1]=3 5507 B14R0.392 CCCCCCNCCCCCCCO 2230a_100000210581_100000760002 [0,1,0,0,0,0|0,0,2]=3 5508 B14R0.392 CCCCCCNCCCCCCCO 2230a_100011996573_100000210314 [0,1,0,0,0,0|0,0,2]=3 5509 B14R0.392 CCCCCCNCCCCCCCO 34a_100011996573_100000210314 [0,1,0,0,0,0|0,0,2]=3 5510 B14R0.392 CCCCCCNCCCCCCOC 2230a_100000210581_100011998445 [0,1,0,0,0,0|2,0,0]=3 5511 B14R0.392 CCCCCCNCCCOCCCC 2230a_200000211371_100000210314 [0,1,0,0,0,0|2,0,1]=4 5512 B14R0.392 CCCCCCNCCCOCCCC 34a_200000211371_100000210314 [0,1,0,0,0,0|2,0,1]=4 5513 B14R0.392 CCCCCCNCCCOCCCO 2230a_100011310245_100000210314 [0,1,0,0,0,0|1,0,2]=4 5514 B14R0.392 CCCCCCNCCCOCCCO 34a_100011310245_100000210314 [0,1,0,0,0,0|1,0,2]=4 5515 B14R0.392 CCCCCCNCCCOCCOC 2230a_100000206027_100000210314 [0,1,0,0,0,0|3,0,0]=4 5516 B14R0.392 CCCCCCNCCCOCCOC 2230a_100000210581_100011216529 [0,1,0,0,0,0|3,0,0]=4 5517 B14R0.392 CCCCCCNCCCOCCOC 34a_100000206027_100000210314 [0,1,0,0,0,0|3,0,0]=4 5518 B14R0.392 CCCCCCOCCCCCCC#N 7a_100000210259_100009813337 [0,1,0,0,0,0|1,0,1]=3 5519 B14R0.392 CCCCCCOCCCCCCCBr 34a_100000760002_100000210314 [0,1,0,0,0,0|1,0,1]=3 5520 B14R0.392 CCCCCCOCCCCCCCBr 7a_100000760002_100000210314 [0,1,0,0,0,0|1,0,1]=3 5521 B14R0.392 CCCCCCOCCCCCCCN 34a_100011996573_100000210314 [0,1,0,0,0,0|1,0,1]=3 5522 B14R0.392 CCCCCCOCCCCCCCO 34a_100000210259_100000760002 [0,1,0,0,0,0|0,0,2]=3 5523 B14R0.392 CCCCCCOCCCCCCCO 7a_100000210259_100000760002 [0,1,0,0,0,0|0,0,2]=3 5524 B14R0.392 CCCCCCOCCCCCCOC 34a_100000210259_100011998445 [0,1,0,0,0,0|2,0,0]=3 5525 B14R0.392 CCCCCCOCCCCCCOC 34a_200012092642_100000210314 [0,1,0,0,0,0|2,0,0]=3 5526 B14R0.392 CCCCCCOCCCCCCOC 7a_100000210259_100011998445 [0,1,0,0,0,0|2,0,0]=3 5527 B14R0.392 CCCCCCOCCCCCCOC 7a_200012092642_100000210314 [0,1,0,0,0,0|2,0,0]=3 5528 B14R0.392 CCCCCCOCCCOCCCC 34a_200011215613_100000210314 [0,1,0,0,0,0|2,0,1]=4 5529 B14R0.392 CCCCCCOCCCOCCCC 7a_200011215613_100000210314 [0,1,0,0,0,0|2,0,1]=4 5530 B14R0.392 CCCCCCOCCCOCCCN 34a_100011310245_100000210314 [0,1,0,0,0,0|2,0,1]=4 5531 B14R0.392 CCCCCCOCCCOCCOC 34a_100000210259_100011216529 [0,1,0,0,0,0|3,0,0]=4 5532 B14R0.392 CCCCCCOCCCOCCOC 7a_100000210259_100011216529 [0,1,0,0,0,0|3,0,0]=4 5533 B14R0.392 CCCCCCOCCNCCCCC 34a_100000224656_100000210314 [0,1,0,0,0,0|2,0,1]=4 5534 B14R0.392 CCCCCCOCCOCCCC#N 7a_100000691444_100000687738 [0,1,0,0,0,0|2,0,1]=4 5535 B14R0.392 CCCCCCOCCOCCCC=O 7a_100000691444_200011292268 [0,1,0,0,0,0|1,0,0]=2 5536 B14R0.392 CCCCCCOCCOCCCCC 34a_100000691444_100000718602 [0,1,0,0,0,0|2,0,1]=4 5537 B14R0.392 CCCCCCOCCOCCCCC 34a_100011215259_100000210314 [0,1,0,0,0,0|2,0,1]=4 5538 B14R0.392 CCCCCCOCCOCCCCC 7a_100000691444_100000210326 [0,1,0,0,0,0|2,0,1]=4 5539 B14R0.392 CCCCCCOCCOCCCCC 7a_100011215259_100000210314 [0,1,0,0,0,0|2,0,1]=4 5540 B14R0.392 CCCCCCOCCOCCCCF 34a_100000691444_100000729493 [0,1,0,0,0,0|2,0,1]=4 5541 B14R0.392 CCCCCCOCCOCCCCF 7a_100000691444_100000729493 [0,1,0,0,0,0|2,0,1]=4 5542 B14R0.392 CCCCCCOCCOCCCCO 34a_100000691444_100011216708 [0,1,0,0,0,0|1,0,2]=4 5543 B14R0.392 CCCCCCOCCOCCCCO 7a_100000691444_100000210776 [0,1,0,0,0,0|1,0,2]=4 5544 B14R0.392 CCCCCCOCCOCCCOC 34a_100000691444_100000740836 [0,1,0,0,0,0|3,0,0]=4 5545 B14R0.392 CCCCCCOCCOCCCOC 7a_100000691444_100000740836 [0,1,0,0,0,0|3,0,0]=4 5546 B14R0.392 CCCCCCSCCCCCCC#N 62a_100000210314_100009813337 [0,1,0,0,0,0|1,0,1]=3 5547 B14R0.392 CCCCCCSCCCCCCC#N 62a_100009813337_100000210757 [0,1,0,0,0,0|1,0,1]=3 5548 B14R0.392 CCCCCCSCCCCCCCO 62a_100000210314_100000760002 [0,1,0,0,0,0|0,0,2]=3 5549 B14R0.392 CCCCCCSCCCCCCCO 62a_100000760002_100000210757 [0,1,0,0,0,0|0,0,2]=3 5550 B14R0.392 CCCCCCSCCCCCCOC 62a_100000210314_100011998445 [0,1,0,0,0,0|2,0,0]=3 5551 B14R0.392 CCCCCCSCCCCCCOC 62a_100011998445_100000210757 [0,1,0,0,0,0|2,0,0]=3 5552 B14R0.392 CCCCCCSCCCOCCOC 62a_100000210314_100011216529 [0,1,0,0,0,0|3,0,0]=4 5553 B14R0.392 CCCCCCSCCCOCCOC 62a_100011216529_100000210757 [0,1,0,0,0,0|3,0,0]=4 5554 B14R0.392 CCCCCNCCCCCCCCO 2230a_100000209983_100000033203 [0,1,0,0,0,0|0,0,2]=3 5555 B14R0.392 CCCCCNCCCCCCCCO 2230a_102515433106_100000210326 [0,1,0,0,0,0|0,0,2]=3 5556 B14R0.392 CCCCCNCCCCCCCCO 34a_102515433106_100000718602 [0,1,0,0,0,0|0,0,2]=3 5557 B14R0.392 CCCCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210326 [0,1,0,0,0,0|3,0,0]=4 5558 B14R0.392 CCCCCNCCOCCCCCF 34a_100000224656_100000729378 [0,1,0,0,0,0|2,0,1]=4 5559 B14R0.392 CCCCCNCCOCCCCCO 34a_100000224656_100000746330 [0,1,0,0,0,0|1,0,2]=4 5560 B14R0.392 CCCCCNCCOCCCCOC 34a_100000224656_100000755781 [0,1,0,0,0,0|3,0,0]=4 5561 B14R0.392 CCCCCOCCCCCCCCBr 34a_100009813846_100000718602 [0,1,0,0,0,0|1,0,1]=3 5562 B14R0.392 CCCCCOCCCCCCCCBr 7a_100009813846_100000210326 [0,1,0,0,0,0|1,0,1]=3 5563 B14R0.392 CCCCCOCCCCCCCCCl 34a_100000033203_100000718602 [0,1,0,0,0,0|1,0,1]=3 5564 B14R0.392 CCCCCOCCCCCCCCCl 7a_100000033203_100000210326 [0,1,0,0,0,0|1,0,1]=3 5565 B14R0.392 CCCCCOCCCCCCCCN 34a_102515433106_100000718602 [0,1,0,0,0,0|1,0,1]=3 5566 B14R0.392 CCCCCOCCCCCCCCO 34a_100000210253_100000033203 [0,1,0,0,0,0|0,0,2]=3 5567 B14R0.392 CCCCCOCCCCCCCCO 7a_100000210253_100000033203 [0,1,0,0,0,0|0,0,2]=3 5568 B14R0.392 CCCCCOCCCCCNCCN 34a_103619048469_100000718602 [0,1,0,0,0,0|2,0,1]=4 5569 B14R0.392 CCCCCOCCCCNCCCC 34a_200011216965_100000718602 [0,1,0,0,0,0|2,0,1]=4 5570 B14R0.392 CCCCCOCCCCOCCCC 34a_200000760531_100000718602 [0,1,0,0,0,0|2,0,1]=4 5571 B14R0.392 CCCCCOCCCCOCCCC 7a_200000760531_100000210326 [0,1,0,0,0,0|2,0,1]=4 5572 B14R0.392 CCCCCOCCCOCCCOC 34a_200011215475_100000718602 [0,1,0,0,0,0|3,0,0]=4 5573 B14R0.392 CCCCCOCCCOCCCOC 7a_200011215475_100000210326 [0,1,0,0,0,0|3,0,0]=4 5574 B14R0.392 CCCCCOCCOCCCCC#N 7a_100011215259_100000211819 [0,1,0,0,0,0|2,0,1]=4 5575 B14R0.392 CCCCCOCCOCCCCC=O 7a_100011215259_100000139335 [0,1,0,0,0,0|1,0,0]=2 5576 B14R0.392 CCCCCOCCOCCCCCF 34a_100011215259_100000729378 [0,1,0,0,0,0|2,0,1]=4 5577 B14R0.392 CCCCCOCCOCCCCCF 7a_100011215259_100000729378 [0,1,0,0,0,0|2,0,1]=4 5578 B14R0.392 CCCCCOCCOCCCCCO 34a_100011215259_100000746330 [0,1,0,0,0,0|1,0,2]=4 5579 B14R0.392 CCCCCOCCOCCCCCO 7a_100011215259_100000746330 [0,1,0,0,0,0|1,0,2]=4 5580 B14R0.392 CCCCCOCCOCCCCOC 34a_100011215259_100000755781 [0,1,0,0,0,0|3,0,0]=4 5581 B14R0.392 CCCCCOCCOCCCCOC 7a_100011215259_100000730899 [0,1,0,0,0,0|3,0,0]=4 5582 B14R0.392 CCCCCSCCCCCCCCO 62a_100000033203_100000210326 [0,1,0,0,0,0|0,0,2]=3 5583 B14R0.392 CCCCCSCCCCCCCCO 62a_100000210326_100000033203 [0,1,0,0,0,0|0,0,2]=3 5584 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000078944_100000210211 [0,1,0,0,0,0|0,0,2]=3 5585 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000102301_100009813782 [0,1,0,0,0,0|0,0,2]=3 5586 B14R0.392 CCCCNCCCCCCCCCO 34a_100000078944_100000210210 [0,1,0,0,0,0|0,0,2]=3 5587 B14R0.392 CCCCNCCCCCCCCCO 7a_106832991798_100009813782 [0,1,0,0,0,0|0,0,2]=3 5588 B14R0.392 CCCCNCCCCOCCCCF 34a_200011216965_100000729493 [0,1,0,0,0,0|2,0,1]=4 5589 B14R0.392 CCCCNCCCCOCCCCO 34a_200011216965_100011216708 [0,1,0,0,0,0|1,0,2]=4 5590 B14R0.392 CCCCNCCCCOCCCOC 34a_200011216965_100000740836 [0,1,0,0,0,0|3,0,0]=4 5591 B14R0.392 CCCCOCCCCCCCCCBr 34a_100009813782_100000210210 [0,1,0,0,0,0|1,0,1]=3 5592 B14R0.392 CCCCOCCCCCCCCCBr 7a_100009813782_100000210211 [0,1,0,0,0,0|1,0,1]=3 5593 B14R0.392 CCCCOCCCCCCCCCCl 34a_100009868337_100000210210 [0,1,0,0,0,0|1,0,1]=3 5594 B14R0.392 CCCCOCCCCCCCCCCl 7a_100009868337_100000210211 [0,1,0,0,0,0|1,0,1]=3 5595 B14R0.392 CCCCOCCCCCCCCCN 34a_100000078944_100000210210 [0,1,0,0,0,0|1,0,1]=3 5596 B14R0.392 CCCCOCCCCCCCCCO 34a_100000210227_100009813782 [0,1,0,0,0,0|0,0,2]=3 5597 B14R0.392 CCCCOCCCCCCCCCO 7a_100000210227_100009813782 [0,1,0,0,0,0|0,0,2]=3 5598 B14R0.392 CCCCOCCCCOCCCC#N 7a_200000760531_100000687738 [0,1,0,0,0,0|2,0,1]=4 5599 B14R0.392 CCCCOCCCCOCCCC=O 7a_200000760531_200011292268 [0,1,0,0,0,0|1,0,0]=2 5600 B14R0.392 CCCCOCCCCOCCCCF 34a_200000760531_100000729493 [0,1,0,0,0,0|2,0,1]=4 5601 B14R0.392 CCCCOCCCCOCCCCF 7a_200000760531_100000729493 [0,1,0,0,0,0|2,0,1]=4 5602 B14R0.392 CCCCOCCCCOCCCCO 34a_200000760531_100011216708 [0,1,0,0,0,0|1,0,2]=4 5603 B14R0.392 CCCCOCCCCOCCCCO 7a_200000760531_100000210776 [0,1,0,0,0,0|1,0,2]=4 5604 B14R0.392 CCCCOCCCCOCCCOC 34a_200000760531_100000740836 [0,1,0,0,0,0|3,0,0]=4 5605 B14R0.392 CCCCOCCCCOCCCOC 7a_200000760531_100000740836 [0,1,0,0,0,0|3,0,0]=4 5606 B14R0.392 CCCCOCCCNCCCCC#N 2230a_200000211371_100000211819 [0,1,0,0,0,0|2,0,1]=4 5607 B14R0.392 CCCCOCCCNCCCCC=O 2230a_200000211371_100000139335 [0,1,0,0,0,0|1,0,0]=2 5608 B14R0.392 CCCCOCCCNCCCCCF 2230a_200000211371_100000729378 [0,1,0,0,0,0|2,0,1]=4 5609 B14R0.392 CCCCOCCCNCCCCCF 34a_200000211371_100000729378 [0,1,0,0,0,0|2,0,1]=4 5610 B14R0.392 CCCCOCCCNCCCCCO 2230a_200000211371_100000746330 [0,1,0,0,0,0|1,0,2]=4 5611 B14R0.392 CCCCOCCCNCCCCCO 34a_200000211371_100000746330 [0,1,0,0,0,0|1,0,2]=4 5612 B14R0.392 CCCCOCCCNCCCCOC 2230a_200000211371_100000730899 [0,1,0,0,0,0|3,0,0]=4 5613 B14R0.392 CCCCOCCCNCCCCOC 34a_200000211371_100000755781 [0,1,0,0,0,0|3,0,0]=4 5614 B14R0.392 CCCCOCCCOCCCCC#N 7a_200011215613_100000211819 [0,1,0,0,0,0|2,0,1]=4 5615 B14R0.392 CCCCOCCCOCCCCC=O 7a_200011215613_100000139335 [0,1,0,0,0,0|1,0,0]=2 5616 B14R0.392 CCCCOCCCOCCCCCF 34a_200011215613_100000729378 [0,1,0,0,0,0|2,0,1]=4 5617 B14R0.392 CCCCOCCCOCCCCCF 7a_200011215613_100000729378 [0,1,0,0,0,0|2,0,1]=4 5618 B14R0.392 CCCCOCCCOCCCCCO 34a_200011215613_100000746330 [0,1,0,0,0,0|1,0,2]=4 5619 B14R0.392 CCCCOCCCOCCCCCO 7a_200011215613_100000746330 [0,1,0,0,0,0|1,0,2]=4 5620 B14R0.392 CCCCOCCCOCCCCOC 34a_200011215613_100000755781 [0,1,0,0,0,0|3,0,0]=4 5621 B14R0.392 CCCCOCCCOCCCCOC 7a_200011215613_100000730899 [0,1,0,0,0,0|3,0,0]=4 5622 B14R0.392 CCCCOCCNCCCCCCO 2230a_100000686447_100000743108 [0,1,0,0,0,0|1,0,2]=4 5623 B14R0.392 CCCCOCCNCCCCCCO 34a_100000686447_100000743108 [0,1,0,0,0,0|1,0,2]=4 5624 B14R0.392 CCCCOCCNCCCCCOC 2230a_100000747528_100000743108 [0,1,0,0,0,0|3,0,0]=4 5625 B14R0.392 CCCCOCCNCCCCCOC 34a_100000747528_100000743108 [0,1,0,0,0,0|3,0,0]=4 5626 B14R0.392 CCCCOCCOCCCCCC#N 7a_100000210238_100009813376 [0,1,0,0,0,0|2,0,1]=4 5627 B14R0.392 CCCCOCCOCCCCCC=O 7a_100000210238_100000139337 [0,1,0,0,0,0|1,0,0]=2 5628 B14R0.392 CCCCOCCOCCCCCCBr 34a_100011215345_100000743108 [0,1,0,0,0,0|2,0,1]=4 5629 B14R0.392 CCCCOCCOCCCCCCBr 7a_100011215345_100000743108 [0,1,0,0,0,0|2,0,1]=4 5630 B14R0.392 CCCCOCCOCCCCCCCl 34a_100000766143_100000743108 [0,1,0,0,0,0|2,0,1]=4 5631 B14R0.392 CCCCOCCOCCCCCCCl 7a_100000766143_100000743108 [0,1,0,0,0,0|2,0,1]=4 5632 B14R0.392 CCCCOCCOCCCCCCF 34a_100000210238_100015922095 [0,1,0,0,0,0|2,0,1]=4 5633 B14R0.392 CCCCOCCOCCCCCCF 34a_100000732779_100000743108 [0,1,0,0,0,0|2,0,1]=4 5634 B14R0.392 CCCCOCCOCCCCCCF 7a_100000210238_100015922095 [0,1,0,0,0,0|2,0,1]=4 5635 B14R0.392 CCCCOCCOCCCCCCF 7a_100000732779_100000743108 [0,1,0,0,0,0|2,0,1]=4 5636 B14R0.392 CCCCOCCOCCCCCCN 34a_100000686447_100000743108 [0,1,0,0,0,0|2,0,1]=4 5637 B14R0.392 CCCCOCCOCCCCCCO 34a_100000210238_100000766143 [0,1,0,0,0,0|1,0,2]=4 5638 B14R0.392 CCCCOCCOCCCCCCO 7a_100000210238_100000766143 [0,1,0,0,0,0|1,0,2]=4 5639 B14R0.392 CCCCOCCOCCCCCNC 34a_100000722520_100000743108 [0,1,0,0,0,0|3,0,0]=4 5640 B14R0.392 CCCCOCCSCCCCCC#N 62a_100000743108_100009813376 [0,1,0,0,0,0|2,0,1]=4 5641 B14R0.392 CCCCOCCSCCCCCC#N 62a_100009813376_100000743108 [0,1,0,0,0,0|2,0,1]=4 5642 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000139337_100000743108 [0,1,0,0,0,0|1,0,0]=2 5643 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000743108_100000139337 [0,1,0,0,0,0|1,0,0]=2 5644 B14R0.392 CCCCOCCSCCCCCCF 62a_100000743108_100015922095 [0,1,0,0,0,0|2,0,1]=4 5645 B14R0.392 CCCCOCCSCCCCCCF 62a_100015922095_100000743108 [0,1,0,0,0,0|2,0,1]=4 5646 B14R0.392 CCCCOCCSCCCCCCO 62a_100000743108_100000766143 [0,1,0,0,0,0|1,0,2]=4 5647 B14R0.392 CCCCOCCSCCCCCCO 62a_100000766143_100000743108 [0,1,0,0,0,0|1,0,2]=4 5648 B14R0.392 CCCCOCNCCCCCCCO 2230a_100011996573_100011995733 [0,1,0,0,0,0|1,0,2]=4 5649 B14R0.392 CCCCOCNCCCCCCCO 34a_100011996573_100011995733 [0,1,0,0,0,0|1,0,2]=4 5650 B14R0.392 CCCCOCOCCCCCCCBr 34a_100000760002_100011995733 [0,1,0,0,0,0|2,0,1]=4 5651 B14R0.392 CCCCOCOCCCCCCCN 34a_100011996573_100011995733 [0,1,0,0,0,0|2,0,1]=4 5652 B14R0.392 CCCCOCOCCCCCCOC 34a_200012092642_100011995733 [0,1,0,0,0,0|3,0,0]=4 5653 B14R0.392 CCCCOCSCCCCCCC#N 62a_100009813337_100011995733 [0,1,0,0,0,0|2,0,1]=4 5654 B14R0.392 CCCCOCSCCCCCCC#N 62a_100011995733_100009813337 [0,1,0,0,0,0|2,0,1]=4 5655 B14R0.392 CCCCOCSCCCCCCCO 62a_100000760002_100011995733 [0,1,0,0,0,0|1,0,2]=4 5656 B14R0.392 CCCCOCSCCCCCCCO 62a_100011995733_100000760002 [0,1,0,0,0,0|1,0,2]=4 5657 B14R0.392 CCCCOCSCCCCCCOC 62a_100011995733_100011998445 [0,1,0,0,0,0|3,0,0]=4 5658 B14R0.392 CCCCOCSCCCCCCOC 62a_100011998445_100011995733 [0,1,0,0,0,0|3,0,0]=4 5659 B14R0.392 CCCCSCCCCCCCCCO 62a_100000210211_100009813782 [0,1,0,0,0,0|0,0,2]=3 5660 B14R0.392 CCCCSCCCCCCCCCO 62a_100009813782_100000210210 [0,1,0,0,0,0|0,0,2]=3 5661 B14R0.392 CCCCSCCNCCCCCC#N 2230a_100025743550_100009813376 [0,1,0,0,0,0|2,0,1]=4 5662 B14R0.392 CCCCSCCNCCCCCC=O 2230a_100025743550_100000139337 [0,1,0,0,0,0|1,0,0]=2 5663 B14R0.392 CCCCSCCNCCCCCCF 2230a_100025743550_100015922095 [0,1,0,0,0,0|2,0,1]=4 5664 B14R0.392 CCCCSCCNCCCCCCO 2230a_100025743550_100000766143 [0,1,0,0,0,0|1,0,2]=4 5665 B14R0.392 CCCCSCCOCCCCCC#N 7a_200000230436_100009813376 [0,1,0,0,0,0|2,0,1]=4 5666 B14R0.392 CCCCSCCOCCCCCC=O 7a_200000230436_100000139337 [0,1,0,0,0,0|1,0,0]=2 5667 B14R0.392 CCCCSCCOCCCCCCF 34a_200000230436_100015922095 [0,1,0,0,0,0|2,0,1]=4 5668 B14R0.392 CCCCSCCOCCCCCCF 7a_200000230436_100015922095 [0,1,0,0,0,0|2,0,1]=4 5669 B14R0.392 CCCCSCCOCCCCCCO 34a_200000230436_100000766143 [0,1,0,0,0,0|1,0,2]=4 5670 B14R0.392 CCCCSCCOCCCCCCO 7a_200000230436_100000766143 [0,1,0,0,0,0|1,0,2]=4 5671 B14R0.392 CCCNCCCCCCCCCCO 2230a_100000066964_100000210303 [0,1,0,0,0,0|0,0,2]=3 5672 B14R0.392 CCCNCCCCCCCCCCO 34a_100000066964_100000210303 [0,1,0,0,0,0|0,0,2]=3 5673 B14R0.392 CCCOCCCCCCCCCCBr 34a_100009813290_100000210303 [0,1,0,0,0,0|1,0,1]=3 5674 B14R0.392 CCCOCCCCCCCCCCBr 7a_100009813290_100000210303 [0,1,0,0,0,0|1,0,1]=3 5675 B14R0.392 CCCOCCCCCCCCCCCl 34a_200000033068_100000210303 [0,1,0,0,0,0|1,0,1]=3 5676 B14R0.392 CCCOCCCCCCCCCCCl 7a_200000033068_100000210303 [0,1,0,0,0,0|1,0,1]=3 5677 B14R0.392 CCCOCCCCCCCCCCN 34a_100000066964_100000210303 [0,1,0,0,0,0|1,0,1]=3 5678 B14R0.392 CCCOCCCCCCCCCCO 34a_100000210258_100009813290 [0,1,0,0,0,0|0,0,2]=3 5679 B14R0.392 CCCOCCCNCCCCCC#N 2230a_100011217757_100009813376 [0,1,0,0,0,0|2,0,1]=4 5680 B14R0.392 CCCOCCCNCCCCCC=O 2230a_100011217757_100000139337 [0,1,0,0,0,0|1,0,0]=2 5681 B14R0.392 CCCOCCCNCCCCCCF 2230a_100011217757_100015922095 [0,1,0,0,0,0|2,0,1]=4 5682 B14R0.392 CCCOCCCNCCCCCCF 34a_100011217757_100015922095 [0,1,0,0,0,0|2,0,1]=4 5683 B14R0.392 CCCOCCCNCCCCCCO 2230a_100011217757_100000766143 [0,1,0,0,0,0|1,0,2]=4 5684 B14R0.392 CCCOCCCNCCCCCCO 34a_100011217757_100000766143 [0,1,0,0,0,0|1,0,2]=4 5685 B14R0.392 CCCOCCNCCCCCCC#N 2230a_100161115042_100009813337 [0,1,0,0,0,0|2,0,1]=4 5686 B14R0.392 CCCOCCNCCCCCCCO 2230a_100011996573_100011215938 [0,1,0,0,0,0|1,0,2]=4 5687 B14R0.392 CCCOCCNCCCCCCCO 2230a_100161115042_100000760002 [0,1,0,0,0,0|1,0,2]=4 5688 B14R0.392 CCCOCCNCCCCCCCO 34a_100011996573_100011215938 [0,1,0,0,0,0|1,0,2]=4 5689 B14R0.392 CCCOCCNCCCCCCCO 34a_100161115042_100000760002 [0,1,0,0,0,0|1,0,2]=4 5690 B14R0.392 CCCOCCNCCCCCCOC 2230a_100161115042_100011998445 [0,1,0,0,0,0|3,0,0]=4 5691 B14R0.392 CCCOCCNCCCCCCOC 34a_100161115042_100011998445 [0,1,0,0,0,0|3,0,0]=4 5692 B14R0.392 CCCOCCOCCCCCCC#N 7a_100000752267_100009813337 [0,1,0,0,0,0|2,0,1]=4 5693 B14R0.392 CCCOCCOCCCCCCCBr 34a_100000760002_100011215938 [0,1,0,0,0,0|2,0,1]=4 5694 B14R0.392 CCCOCCOCCCCCCCBr 7a_100000760002_100011215938 [0,1,0,0,0,0|2,0,1]=4 5695 B14R0.392 CCCOCCOCCCCCCCN 34a_100011996573_100011215938 [0,1,0,0,0,0|2,0,1]=4 5696 B14R0.392 CCCOCCOCCCCCCCO 34a_100000752267_100000760002 [0,1,0,0,0,0|1,0,2]=4 5697 B14R0.392 CCCOCCOCCCCCCCO 7a_100000752267_100000760002 [0,1,0,0,0,0|1,0,2]=4 5698 B14R0.392 CCCOCCOCCCCCCOC 34a_100000752267_100011998445 [0,1,0,0,0,0|3,0,0]=4 5699 B14R0.392 CCCOCCOCCCCCCOC 34a_200012092642_100011215938 [0,1,0,0,0,0|3,0,0]=4 5700 B14R0.392 CCCOCCOCCCCCCOC 7a_100000752267_100011998445 [0,1,0,0,0,0|3,0,0]=4 5701 B14R0.392 CCCOCCOCCCCCCOC 7a_200012092642_100011215938 [0,1,0,0,0,0|3,0,0]=4 5702 B14R0.392 CCCOCCOCCNCCCC=O 2230a_200011904461_200011292268 [0,1,0,0,0,0|2,0,0]=3 5703 B14R0.392 CCCOCCSCCCCCCC#N 62a_100009813337_100011215938 [0,1,0,0,0,0|2,0,1]=4 5704 B14R0.392 CCCOCCSCCCCCCC#N 62a_100011215938_100009813337 [0,1,0,0,0,0|2,0,1]=4 5705 B14R0.392 CCCOCCSCCCCCCCO 62a_100000760002_100011215938 [0,1,0,0,0,0|1,0,2]=4 5706 B14R0.392 CCCOCCSCCCCCCCO 62a_100011215938_100000760002 [0,1,0,0,0,0|1,0,2]=4 5707 B14R0.392 CCCOCCSCCCCCCOC 62a_100011215938_100011998445 [0,1,0,0,0,0|3,0,0]=4 5708 B14R0.392 CCCOCCSCCCCCCOC 62a_100011998445_100011215938 [0,1,0,0,0,0|3,0,0]=4 5709 B14R0.392 CCCSCCCCCCCCCCO 62a_100000210303_200000033068 [0,1,0,0,0,0|0,0,2]=3 5710 B14R0.392 CCCSCCCCCCCCCCO 62a_100009813290_100000210303 [0,1,0,0,0,0|0,0,2]=3 5711 B14R0.392 CCCSCCNCCCCCCC#N 2230a_100020603323_100009813337 [0,1,0,0,0,0|2,0,1]=4 5712 B14R0.392 CCCSCCNCCCCCCCO 2230a_100020603323_100000760002 [0,1,0,0,0,0|1,0,2]=4 5713 B14R0.392 CCCSCCNCCCCCCOC 2230a_100020603323_100011998445 [0,1,0,0,0,0|3,0,0]=4 5714 B14R0.392 CCCSCCOCCCCCCC#N 7a_200000230433_100009813337 [0,1,0,0,0,0|2,0,1]=4 5715 B14R0.392 CCCSCCOCCCCCCCO 34a_200000230433_100000760002 [0,1,0,0,0,0|1,0,2]=4 5716 B14R0.392 CCCSCCOCCCCCCCO 7a_200000230433_100000760002 [0,1,0,0,0,0|1,0,2]=4 5717 B14R0.392 CCCSCCOCCCCCCOC 34a_200000230433_100011998445 [0,1,0,0,0,0|3,0,0]=4 5718 B14R0.392 CCCSCCOCCCCCCOC 7a_200000230433_100011998445 [0,1,0,0,0,0|3,0,0]=4 5719 B14R0.392 CCNCCCCCCCCCCCO 2230a_100015525214_100009812471 [0,1,0,0,0,0|0,0,2]=3 5720 B14R0.392 CCOCCCCCCCCCCCBr 34a_100009812471_100000210202 [0,1,0,0,0,0|1,0,1]=3 5721 B14R0.392 CCOCCCCCCCCCCCBr 7a_100009812471_100000210202 [0,1,0,0,0,0|1,0,1]=3 5722 B14R0.392 CCOCCCCCCCCCCCO 34a_100121572206_100009812471 [0,1,0,0,0,0|0,0,2]=3 5723 B14R0.392 CCOCCCCCCCCCOCC 34a_100009875440_100000210202 [0,1,0,0,0,0|2,0,1]=4 5724 B14R0.392 CCOCCCCCCCCCOCC 7a_100009875440_100000210202 [0,1,0,0,0,0|2,0,1]=4 5725 B14R0.392 CCOCCCCCCCCCOCF 34a_100009875440_100015361967 [0,1,0,0,0,0|2,0,1]=4 5726 B14R0.392 CCOCCCCCCCCCOCF 7a_100009875440_100015361967 [0,1,0,0,0,0|2,0,1]=4 5727 B14R0.392 CCOCCCNCCCCCCC#N 2230a_100000210961_100009813337 [0,1,0,0,0,0|2,0,1]=4 5728 B14R0.392 CCOCCCNCCCCCCCO 2230a_100000210961_100000760002 [0,1,0,0,0,0|1,0,2]=4 5729 B14R0.392 CCOCCCNCCCCCCCO 2230a_100011996573_100012232248 [0,1,0,0,0,0|1,0,2]=4 5730 B14R0.392 CCOCCCNCCCCCCCO 34a_100000210961_100000760002 [0,1,0,0,0,0|1,0,2]=4 5731 B14R0.392 CCOCCCNCCCCCCCO 34a_100011996573_100012232248 [0,1,0,0,0,0|1,0,2]=4 5732 B14R0.392 CCOCCCNCCCCCCOC 2230a_100000210961_100011998445 [0,1,0,0,0,0|3,0,0]=4 5733 B14R0.392 CCOCCCNCCCCCCOC 34a_100000210961_100011998445 [0,1,0,0,0,0|3,0,0]=4 5734 B14R0.392 CCOCCCOCCCCCCC#N 7a_100000757476_100009813337 [0,1,0,0,0,0|2,0,1]=4 5735 B14R0.392 CCOCCCOCCCCCCCBr 34a_100000760002_100012232248 [0,1,0,0,0,0|2,0,1]=4 5736 B14R0.392 CCOCCCOCCCCCCCBr 7a_100000760002_100012232248 [0,1,0,0,0,0|2,0,1]=4 5737 B14R0.392 CCOCCCOCCCCCCCN 34a_100011996573_100012232248 [0,1,0,0,0,0|2,0,1]=4 5738 B14R0.392 CCOCCCOCCCCCCCO 34a_100000757476_100000760002 [0,1,0,0,0,0|1,0,2]=4 5739 B14R0.392 CCOCCCOCCCCCCCO 7a_100000757476_100000760002 [0,1,0,0,0,0|1,0,2]=4 5740 B14R0.392 CCOCCCOCCCCCCOC 34a_100000757476_100011998445 [0,1,0,0,0,0|3,0,0]=4 5741 B14R0.392 CCOCCCOCCCCCCOC 34a_200012092642_100012232248 [0,1,0,0,0,0|3,0,0]=4 5742 B14R0.392 CCOCCCOCCCCCCOC 7a_100000757476_100011998445 [0,1,0,0,0,0|3,0,0]=4 5743 B14R0.392 CCOCCCOCCCCCCOC 7a_200012092642_100012232248 [0,1,0,0,0,0|3,0,0]=4 5744 B14R0.392 CCOCCCSCCCCCCC#N 62a_100009813337_100012232248 [0,1,0,0,0,0|2,0,1]=4 5745 B14R0.392 CCOCCCSCCCCCCC#N 62a_100012232248_100009813337 [0,1,0,0,0,0|2,0,1]=4 5746 B14R0.392 CCOCCCSCCCCCCCO 62a_100000760002_100012232248 [0,1,0,0,0,0|1,0,2]=4 5747 B14R0.392 CCOCCCSCCCCCCCO 62a_100012232248_100000760002 [0,1,0,0,0,0|1,0,2]=4 5748 B14R0.392 CCOCCCSCCCCCCOC 62a_100011998445_100012232248 [0,1,0,0,0,0|3,0,0]=4 5749 B14R0.392 CCOCCCSCCCCCCOC 62a_100012232248_100011998445 [0,1,0,0,0,0|3,0,0]=4 5750 B14R0.392 CCOCCNCCCCCCCCO 2230a_102515433106_100011215890 [0,1,0,0,0,0|1,0,2]=4 5751 B14R0.392 CCOCCNCCCCCCCCO 2230a_102516460346_100000033203 [0,1,0,0,0,0|1,0,2]=4 5752 B14R0.392 CCOCCNCCCCCCCCO 34a_102515433106_100000210147 [0,1,0,0,0,0|1,0,2]=4 5753 B14R0.392 CCOCCNCCCCCCCCO 34a_102516460346_100000033203 [0,1,0,0,0,0|1,0,2]=4 5754 B14R0.392 CCOCCOCCCCCCCCBr 34a_100009813846_100000210147 [0,1,0,0,0,0|2,0,1]=4 5755 B14R0.392 CCOCCOCCCCCCCCBr 7a_100009813846_100011215890 [0,1,0,0,0,0|2,0,1]=4 5756 B14R0.392 CCOCCOCCCCCCCCCl 34a_100000033203_100000210147 [0,1,0,0,0,0|2,0,1]=4 5757 B14R0.392 CCOCCOCCCCCCCCCl 7a_100000033203_100011215890 [0,1,0,0,0,0|2,0,1]=4 5758 B14R0.392 CCOCCOCCCCCCCCN 34a_102515433106_100000210147 [0,1,0,0,0,0|2,0,1]=4 5759 B14R0.392 CCOCCOCCCCCCCCO 34a_100000210136_100000033203 [0,1,0,0,0,0|1,0,2]=4 5760 B14R0.392 CCOCCOCCCCCCCCO 7a_100000210136_100000033203 [0,1,0,0,0,0|1,0,2]=4 5761 B14R0.392 CCOCCOCCNCCCCC=O 2230a_100102712874_100000139335 [0,1,0,0,0,0|2,0,0]=3 5762 B14R0.392 CCOCCOCCOCCCCC=O 7a_100000210240_100000139335 [0,1,0,0,0,0|2,0,0]=3 5763 B14R0.392 CCOCCOCCOCCNCC=O 2230a_100012282185_200015260668 [0,1,0,0,0,0|3,0,0]=4 5764 B14R0.392 CCOCCOCCOCCNCC=O 34a_100012282185_200009817547 [0,1,0,0,0,0|3,0,0]=4 5765 B14R0.392 CCOCCOCCOCCOCC=O 34a_100000033264_200009817547 [0,1,0,0,0,0|3,0,0]=4 5766 B14R0.392 CCOCCOCCOCCOCC=O 7a_100000033264_200015260668 [0,1,0,0,0,0|3,0,0]=4 5767 B14R0.392 CCOCCOCCSCCCCC=O 62a_100000139335_100011211534 [0,1,0,0,0,0|2,0,0]=3 5768 B14R0.392 CCOCCOCCSCCCCC=O 62a_100011211534_100000139335 [0,1,0,0,0,0|2,0,0]=3 5769 B14R0.392 CCOCCSCCCCCCCCO 62a_100000033203_100011215890 [0,1,0,0,0,0|1,0,2]=4 5770 B14R0.392 CCOCCSCCCCCCCCO 62a_100000210147_100000033203 [0,1,0,0,0,0|1,0,2]=4 5771 B14R0.392 CCOCSCCCCCCCCCO 62a_100000739092_100009813782 [0,1,0,0,0,0|1,0,2]=4 5772 B14R0.392 CCOCSCCCCCCCCCO 62a_100009813782_100000739092 [0,1,0,0,0,0|1,0,2]=4 5773 B14R0.392 CCSCCCCCCCCCCCO 62a_100009812471_100000210202 [0,1,0,0,0,0|0,0,2]=3 5774 B14R0.392 CCSCCCOCCCCCCC#N 7a_100011216438_100009813337 [0,1,0,0,0,0|2,0,1]=4 5775 B14R0.392 CCSCCCOCCCCCCCO 34a_100011216438_100000760002 [0,1,0,0,0,0|1,0,2]=4 5776 B14R0.392 CCSCCCOCCCCCCCO 7a_100011216438_100000760002 [0,1,0,0,0,0|1,0,2]=4 5777 B14R0.392 CCSCCCOCCCCCCOC 34a_100011216438_100011998445 [0,1,0,0,0,0|3,0,0]=4 5778 B14R0.392 CCSCCCOCCCCCCOC 7a_100011216438_100011998445 [0,1,0,0,0,0|3,0,0]=4 5779 B14R0.392 CCSCCNCCCCCCCCO 2230a_100000106463_100000033203 [0,1,0,0,0,0|1,0,2]=4 5780 B14R0.392 CCSCCNCCCCCCCCO 2230a_102515433106_100000757381 [0,1,0,0,0,0|1,0,2]=4 5781 B14R0.392 CCSCCNCCCCCCCCO 34a_102515433106_100000757381 [0,1,0,0,0,0|1,0,2]=4 5782 B14R0.392 CCSCCOCCCCCCCCBr 34a_100009813846_100000757381 [0,1,0,0,0,0|2,0,1]=4 5783 B14R0.392 CCSCCOCCCCCCCCBr 7a_100009813846_100000757381 [0,1,0,0,0,0|2,0,1]=4 5784 B14R0.392 CCSCCOCCCCCCCCCl 34a_100000033203_100000757381 [0,1,0,0,0,0|2,0,1]=4 5785 B14R0.392 CCSCCOCCCCCCCCCl 7a_100000033203_100000757381 [0,1,0,0,0,0|2,0,1]=4 5786 B14R0.392 CCSCCOCCCCCCCCN 34a_102515433106_100000757381 [0,1,0,0,0,0|2,0,1]=4 5787 B14R0.392 CCSCCOCCCCCCCCO 34a_100000212035_100000033203 [0,1,0,0,0,0|1,0,2]=4 5788 B14R0.392 CCSCCOCCCCCCCCO 7a_100000212035_100000033203 [0,1,0,0,0,0|1,0,2]=4 5789 B14R0.392 CCSCCSCCCCCCCCO 62a_100000033203_100000757381 [0,1,0,0,0,0|1,0,2]=4 5790 B14R0.392 CCSCCSCCCCCCCCO 62a_100000757381_100000033203 [0,1,0,0,0,0|1,0,2]=4 5791 B14R0.392 CNCCCCCCCCCCCCO 2230a_100000066677_200000210301 [0,1,0,0,0,0|0,0,2]=3 5792 B14R0.392 CNCCCCCCCCCCCCO 2230a_106832991635_100009813331 [0,1,0,0,0,0|0,0,2]=3 5793 B14R0.392 CNCCCCCCCCCCCCO 34a_100000066677_200000210301 [0,1,0,0,0,0|0,0,2]=3 5794 B14R0.392 CNCCCCCCCCCCCCO 34a_100102657272_100009813331 [0,1,0,0,0,0|0,0,2]=3 5795 B14R0.392 CNCCCCCCCCCCCCO 7a_106832991635_100009813331 [0,1,0,0,0,0|0,0,2]=3 5796 B14R0.392 CNCCCCCCOCCCCCO 2230a_106832991635_200132310570 [0,1,0,0,0,0|1,0,2]=4 5797 B14R0.392 CNCCCCCCOCCCCCO 34a_100102657272_200132310570 [0,1,0,0,0,0|1,0,2]=4 5798 B14R0.392 CNCCCCCCOCCCCCO 7a_106832991635_200132310570 [0,1,0,0,0,0|1,0,2]=4 5799 B14R0.392 CNCCCCCOCCCCCCF 34a_100000722520_100015922095 [0,1,0,0,0,0|2,0,1]=4 5800 B14R0.392 CNCCCCCOCCCCCCO 34a_100000722520_100000766143 [0,1,0,0,0,0|1,0,2]=4 5801 B14R0.392 CNCCCOCCCCCCCCO 34a_100000213112_100000033203 [0,1,0,0,0,0|1,0,2]=4 5802 B14R0.392 COCCCCCCCCCCCCBr 34a_100009813331_200000210301 [0,1,0,0,0,0|1,0,1]=3 5803 B14R0.392 COCCCCCCCCCCCCBr 7a_100009813331_200000210301 [0,1,0,0,0,0|1,0,1]=3 5804 B14R0.392 COCCCCCCCCCCCCN 34a_100000066677_200000210301 [0,1,0,0,0,0|1,0,1]=3 5805 B14R0.392 COCCCCCCCCCCCCO 34a_100138415774_100009813331 [0,1,0,0,0,0|0,0,2]=3 5806 B14R0.392 COCCCCCCNCCCCCO 2230a_100000762737_100011998445 [0,1,0,0,0,0|1,0,2]=4 5807 B14R0.392 COCCCCCCNCCCCCO 34a_100000762737_100011998445 [0,1,0,0,0,0|1,0,2]=4 5808 B14R0.392 COCCCCCCOCCCCC#N 7a_200012092642_100000211819 [0,1,0,0,0,0|2,0,1]=4 5809 B14R0.392 COCCCCCCOCCCCC=O 7a_200012092642_100000139335 [0,1,0,0,0,0|1,0,0]=2 5810 B14R0.392 COCCCCCCOCCCCCBr 34a_100000746331_100011998445 [0,1,0,0,0,0|2,0,1]=4 5811 B14R0.392 COCCCCCCOCCCCCBr 7a_100000746331_100011998445 [0,1,0,0,0,0|2,0,1]=4 5812 B14R0.392 COCCCCCCOCCCCCCl 34a_100000746330_100011998445 [0,1,0,0,0,0|2,0,1]=4 5813 B14R0.392 COCCCCCCOCCCCCCl 7a_100000746330_100011998445 [0,1,0,0,0,0|2,0,1]=4 5814 B14R0.392 COCCCCCCOCCCCCF 34a_200012092642_100000729378 [0,1,0,0,0,0|2,0,1]=4 5815 B14R0.392 COCCCCCCOCCCCCF 7a_200012092642_100000729378 [0,1,0,0,0,0|2,0,1]=4 5816 B14R0.392 COCCCCCCOCCCCCI 34a_200012148887_100011998445 [0,1,0,0,0,0|2,0,1]=4 5817 B14R0.392 COCCCCCCOCCCCCI 7a_200012148887_100011998445 [0,1,0,0,0,0|2,0,1]=4 5818 B14R0.392 COCCCCCCOCCCCCN 34a_100000762737_100011998445 [0,1,0,0,0,0|2,0,1]=4 5819 B14R0.392 COCCCCCCOCCCCCO 34a_100138415774_200132310570 [0,1,0,0,0,0|1,0,2]=4 5820 B14R0.392 COCCCCCCOCCCCCO 34a_200012092642_100000746330 [0,1,0,0,0,0|1,0,2]=4 5821 B14R0.392 COCCCCCCOCCCCCO 7a_200012092642_100000746330 [0,1,0,0,0,0|1,0,2]=4 5822 B14R0.392 COCCCCCCOCCCCOC 34a_100000740925_100011998445 [0,1,0,0,0,0|3,0,0]=4 5823 B14R0.392 COCCCCCCOCCCCOC 34a_200012092642_100000755781 [0,1,0,0,0,0|3,0,0]=4 5824 B14R0.392 COCCCCCCOCCCCOC 7a_200012092642_100000730899 [0,1,0,0,0,0|3,0,0]=4 5825 B14R0.392 COCCCCCCOCCCCSC 34a_100011217163_100011998445 [0,1,0,0,0,0|3,0,0]=4 5826 B14R0.392 COCCCCCCOCCCCSC 7a_100011217163_100011998445 [0,1,0,0,0,0|3,0,0]=4 5827 B14R0.392 COCCCCCCSCCCCC#N 62a_100011219923_100011998445 [0,1,0,0,0,0|2,0,1]=4 5828 B14R0.392 COCCCCCCSCCCCC#N 62a_100011998445_100000211819 [0,1,0,0,0,0|2,0,1]=4 5829 B14R0.392 COCCCCCCSCCCCC=O 62a_100000139335_100011998445 [0,1,0,0,0,0|1,0,0]=2 5830 B14R0.392 COCCCCCCSCCCCC=O 62a_100011998445_100000139335 [0,1,0,0,0,0|1,0,0]=2 5831 B14R0.392 COCCCCCCSCCCCCF 62a_100000729378_100011998445 [0,1,0,0,0,0|2,0,1]=4 5832 B14R0.392 COCCCCCCSCCCCCF 62a_100011998445_100000729378 [0,1,0,0,0,0|2,0,1]=4 5833 B14R0.392 COCCCCCCSCCCCCO 62a_100000746330_100011998445 [0,1,0,0,0,0|1,0,2]=4 5834 B14R0.392 COCCCCCCSCCCCCO 62a_100011998445_100000746330 [0,1,0,0,0,0|1,0,2]=4 5835 B14R0.392 COCCCCCCSCCCCOC 62a_100000730899_100011998445 [0,1,0,0,0,0|3,0,0]=4 5836 B14R0.392 COCCCCCCSCCCCOC 62a_100011998445_100000730899 [0,1,0,0,0,0|3,0,0]=4 5837 B14R0.392 COCCCCCNCCCCCC#N 2230a_100000747528_100009813376 [0,1,0,0,0,0|2,0,1]=4 5838 B14R0.392 COCCCCCNCCCCCC=O 2230a_100000747528_100000139337 [0,1,0,0,0,0|1,0,0]=2 5839 B14R0.392 COCCCCCNCCCCCCF 2230a_100000747528_100015922095 [0,1,0,0,0,0|2,0,1]=4 5840 B14R0.392 COCCCCCNCCCCCCF 34a_100000747528_100015922095 [0,1,0,0,0,0|2,0,1]=4 5841 B14R0.392 COCCCCCNCCCCCCO 2230a_100000747528_100000766143 [0,1,0,0,0,0|1,0,2]=4 5842 B14R0.392 COCCCCCNCCCCCCO 34a_100000747528_100000766143 [0,1,0,0,0,0|1,0,2]=4 5843 B14R0.392 COCCCCCOCCCCCCCl 34a_200132310570_200000210301 [0,1,0,0,0,0|2,0,1]=4 5844 B14R0.392 COCCCCCOCCCCCCCl 7a_200132310570_200000210301 [0,1,0,0,0,0|2,0,1]=4 5845 B14R0.392 COCCCCNCCCCCCCO 2230a_100011996573_100000730899 [0,1,0,0,0,0|1,0,2]=4 5846 B14R0.392 COCCCCNCCCCCCCO 34a_100011996573_100000755781 [0,1,0,0,0,0|1,0,2]=4 5847 B14R0.392 COCCCCOCCCCCCCBr 34a_100000760002_100000755781 [0,1,0,0,0,0|2,0,1]=4 5848 B14R0.392 COCCCCOCCCCCCCBr 7a_100000760002_100000730899 [0,1,0,0,0,0|2,0,1]=4 5849 B14R0.392 COCCCCOCCCCCCCN 34a_100011996573_100000755781 [0,1,0,0,0,0|2,0,1]=4 5850 B14R0.392 COCCCCOCCCCCCCO 34a_100000740925_100000760002 [0,1,0,0,0,0|1,0,2]=4 5851 B14R0.392 COCCCCSCCCCCCC#N 62a_100000730899_100009813337 [0,1,0,0,0,0|2,0,1]=4 5852 B14R0.392 COCCCCSCCCCCCC#N 62a_100009813337_100000730899 [0,1,0,0,0,0|2,0,1]=4 5853 B14R0.392 COCCCCSCCCCCCCO 62a_100000730899_100000760002 [0,1,0,0,0,0|1,0,2]=4 5854 B14R0.392 COCCCCSCCCCCCCO 62a_100000760002_100000730899 [0,1,0,0,0,0|1,0,2]=4 5855 B14R0.392 COCCCNCCCCCCCCO 2230a_102515433106_100000740836 [0,1,0,0,0,0|1,0,2]=4 5856 B14R0.392 COCCCNCCCCCCCCO 34a_100150723488_100000033203 [0,1,0,0,0,0|1,0,2]=4 5857 B14R0.392 COCCCNCCCCCCCCO 34a_102515433106_100000740836 [0,1,0,0,0,0|1,0,2]=4 5858 B14R0.392 COCCCOCCCCCCCCBr 34a_100009813846_100000740836 [0,1,0,0,0,0|2,0,1]=4 5859 B14R0.392 COCCCOCCCCCCCCBr 7a_100009813846_100000740836 [0,1,0,0,0,0|2,0,1]=4 5860 B14R0.392 COCCCOCCCCCCCCCl 34a_100000033203_100000740836 [0,1,0,0,0,0|2,0,1]=4 5861 B14R0.392 COCCCOCCCCCCCCCl 7a_100000033203_100000740836 [0,1,0,0,0,0|2,0,1]=4 5862 B14R0.392 COCCCOCCCCCCCCN 34a_102515433106_100000740836 [0,1,0,0,0,0|2,0,1]=4 5863 B14R0.392 COCCCOCCCCCCCCO 34a_100000740835_100000033203 [0,1,0,0,0,0|1,0,2]=4 5864 B14R0.392 COCCCOCCCOCCCC=O 7a_200011215475_200011292268 [0,1,0,0,0,0|2,0,0]=3 5865 B14R0.392 COCCCSCCCCCCCCO 62a_100000033203_100000709357 [0,1,0,0,0,0|1,0,2]=4 5866 B14R0.392 COCCCSCCCCCCCCO 62a_100000709357_100000033203 [0,1,0,0,0,0|1,0,2]=4 5867 B14R0.392 COCCNCCCCCCCCCO 2230a_100000078944_100011201679 [0,1,0,0,0,0|1,0,2]=4 5868 B14R0.392 COCCNCCCCCCCCCO 2230a_100000209980_100009813782 [0,1,0,0,0,0|1,0,2]=4 5869 B14R0.392 COCCNCCCCCCCCCO 34a_100000078944_100011201679 [0,1,0,0,0,0|1,0,2]=4 5870 B14R0.392 COCCOCCCCCCCCCBr 34a_100009813782_100011201679 [0,1,0,0,0,0|2,0,1]=4 5871 B14R0.392 COCCOCCCCCCCCCBr 7a_100009813782_100000233755 [0,1,0,0,0,0|2,0,1]=4 5872 B14R0.392 COCCOCCCCCCCCCCl 34a_100009868337_100011201679 [0,1,0,0,0,0|2,0,1]=4 5873 B14R0.392 COCCOCCCCCCCCCCl 7a_100009868337_100000233755 [0,1,0,0,0,0|2,0,1]=4 5874 B14R0.392 COCCOCCCCCCCCCN 34a_100000078944_100011201679 [0,1,0,0,0,0|2,0,1]=4 5875 B14R0.392 COCCOCCCCCCCCCO 34a_100000210237_100009813782 [0,1,0,0,0,0|1,0,2]=4 5876 B14R0.392 COCCOCCCNCCCCC=O 2230a_100000206027_100000139335 [0,1,0,0,0,0|2,0,0]=3 5877 B14R0.392 COCCOCCCSCCCCC=O 62a_100000139335_100011216529 [0,1,0,0,0,0|2,0,0]=3 5878 B14R0.392 COCCOCCCSCCCCC=O 62a_100011216529_100000139335 [0,1,0,0,0,0|2,0,0]=3 5879 B14R0.392 COCCOCCNCCCCCC=O 2230a_100000745349_100000139337 [0,1,0,0,0,0|2,0,0]=3 5880 B14R0.392 COCCOCCOCCCCCC=O 7a_100011215163_100000139337 [0,1,0,0,0,0|2,0,0]=3 5881 B14R0.392 COCCOCCSCCCCCC=O 62a_100000139337_100000695917 [0,1,0,0,0,0|2,0,0]=3 5882 B14R0.392 COCCOCCSCCCCCC=O 62a_100000695917_100000139337 [0,1,0,0,0,0|2,0,0]=3 5883 B14R0.392 COCCSCCCCCCCCCO 62a_100000233755_100009813782 [0,1,0,0,0,0|1,0,2]=4 5884 B14R0.392 COCCSCCCCCCCCCO 62a_100009813782_100000233755 [0,1,0,0,0,0|1,0,2]=4 5885 B14R0.392 COCNCCCCCCCCCCO 2230a_100000066964_100000766300 [0,1,0,0,0,0|1,0,2]=4 5886 B14R0.392 COCSCCCCCCCCCCO 62a_100000766300_200000033068 [0,1,0,0,0,0|1,0,2]=4 5887 B14R0.392 COCSCCCCCCCCCCO 62a_100009813290_100000766300 [0,1,0,0,0,0|1,0,2]=4 5888 B14R0.392 CSCCCCCCCCCCCCO 62a_100009813331_200000210301 [0,1,0,0,0,0|0,0,2]=3 5889 B14R0.392 CSCCCCCCOCCCCCO 62a_200000210301_200132310570 [0,1,0,0,0,0|1,0,2]=4 5890 B14R0.392 CSCCCCCCOCCCCCO 62a_200132310570_200000210301 [0,1,0,0,0,0|1,0,2]=4 5891 B14R0.392 CSCCCCOCCCCCCC#N 7a_100011217163_100009813337 [0,1,0,0,0,0|2,0,1]=4 5892 B14R0.392 CSCCCCOCCCCCCCO 34a_100011217163_100000760002 [0,1,0,0,0,0|1,0,2]=4 5893 B14R0.392 CSCCCCOCCCCCCCO 7a_100011217163_100000760002 [0,1,0,0,0,0|1,0,2]=4 5894 B14R0.392 CSCCCNCCCCCCCCO 2230a_100000749238_100000033203 [0,1,0,0,0,0|1,0,2]=4 5895 B14R0.392 CSCCCOCCCCCCCCO 34a_100000690336_100000033203 [0,1,0,0,0,0|1,0,2]=4 5896 B14R0.392 CSCCCOCCCCCCCCO 7a_100000690336_100000033203 [0,1,0,0,0,0|1,0,2]=4 5897 B14R0.392 CSCCNCCCCCCCCCO 2230a_100000078944_100000751147 [0,1,0,0,0,0|1,0,2]=4 5898 B14R0.392 CSCCNCCCCCCCCCO 2230a_100020590264_100009813782 [0,1,0,0,0,0|1,0,2]=4 5899 B14R0.392 CSCCNCCCCCCCCCO 34a_100000078944_100000212216 [0,1,0,0,0,0|1,0,2]=4 5900 B14R0.392 CSCCOCCCCCCCCCBr 34a_100009813782_100000212216 [0,1,0,0,0,0|2,0,1]=4 5901 B14R0.392 CSCCOCCCCCCCCCBr 7a_100009813782_100000212216 [0,1,0,0,0,0|2,0,1]=4 5902 B14R0.392 CSCCOCCCCCCCCCCl 34a_100009868337_100000212216 [0,1,0,0,0,0|2,0,1]=4 5903 B14R0.392 CSCCOCCCCCCCCCCl 7a_100009868337_100000212216 [0,1,0,0,0,0|2,0,1]=4 5904 B14R0.392 CSCCOCCCCCCCCCN 34a_100000078944_100000212216 [0,1,0,0,0,0|2,0,1]=4 5905 B14R0.392 CSCCOCCCCCCCCCO 34a_100000230434_100009813782 [0,1,0,0,0,0|1,0,2]=4 5906 B14R0.392 CSCCOCCCCCCCCCO 7a_100000230434_100009813782 [0,1,0,0,0,0|1,0,2]=4 5907 B14R0.392 CSCCSCCCCCCCCCO 62a_100000212216_100009813782 [0,1,0,0,0,0|1,0,2]=4 5908 B14R0.392 CSCCSCCCCCCCCCO 62a_100009813782_100000751147 [0,1,0,0,0,0|1,0,2]=4 5909 B14R0.392 CSCNCCCCCCCCCCO 2230a_100000066964_100011218213 [0,1,0,0,0,0|1,0,2]=4 5910 B14R0.392 CSCNCCCCCCCCCCO 34a_100000066964_100011218213 [0,1,0,0,0,0|1,0,2]=4 5911 B14R0.392 CSCOCCCCCCCCCCBr 34a_100009813290_100011218213 [0,1,0,0,0,0|2,0,1]=4 5912 B14R0.392 CSCOCCCCCCCCCCCl 34a_200000033068_100011218213 [0,1,0,0,0,0|2,0,1]=4 5913 B14R0.392 CSCOCCCCCCCCCCN 34a_100000066964_100011218213 [0,1,0,0,0,0|2,0,1]=4 5914 B14R0.392 CSCSCCCCCCCCCCO 62a_100009813290_100011218213 [0,1,0,0,0,0|1,0,2]=4 5915 B14R0.392 CSCSCCCCCCCCCCO 62a_100011218213_200000033068 [0,1,0,0,0,0|1,0,2]=4 5916 B14R0.392 FCCCCCCOCCCCCCBr 34a_100011215345_100015922095 [0,1,0,0,0,0|2,0,1]=4 5917 B14R0.392 FCCCCCCOCCCCCCBr 7a_100011215345_100015922095 [0,1,0,0,0,0|2,0,1]=4 5918 B14R0.392 FCCCCCCOCCCCCCCl 34a_100000766143_100015922095 [0,1,0,0,0,0|2,0,1]=4 5919 B14R0.392 FCCCCCCOCCCCCCCl 7a_100000766143_100015922095 [0,1,0,0,0,0|2,0,1]=4 5920 B14R0.392 FCCCCCCOCCCCCCF 34a_100000732779_100015922095 [0,1,0,0,0,0|2,0,1]=4 5921 B14R0.392 FCCCCCCOCCCCCCF 7a_100000732779_100015922095 [0,1,0,0,0,0|2,0,1]=4 5922 B14R0.392 FCCCCCCSCCCCCCF 62a_100015922095_100015922095 [0,1,0,0,0,0|2,0,1]=4 5923 B14R0.392 FCCCCCOCCCCCCCBr 34a_100000760002_100000729378 [0,1,0,0,0,0|2,0,1]=4 5924 B14R0.392 FCCCCCOCCCCCCCBr 7a_100000760002_100000729378 [0,1,0,0,0,0|2,0,1]=4 5925 B14R0.392 FCCCCOCCCCCCCCBr 34a_100009813846_100000729493 [0,1,0,0,0,0|2,0,1]=4 5926 B14R0.392 FCCCCOCCCCCCCCBr 7a_100009813846_100000729493 [0,1,0,0,0,0|2,0,1]=4 5927 B14R0.392 FCCCCOCCCCCCCCCl 34a_100000033203_100000729493 [0,1,0,0,0,0|2,0,1]=4 5928 B14R0.392 FCCCCOCCCCCCCCCl 7a_100000033203_100000729493 [0,1,0,0,0,0|2,0,1]=4 5929 B14R0.392 FCCCOCCCCCCCCCBr 34a_100009813782_100011934791 [0,1,0,0,0,0|2,0,1]=4 5930 B14R0.392 FCCCOCCCCCCCCCBr 7a_100009813782_100011934791 [0,1,0,0,0,0|2,0,1]=4 5931 B14R0.392 FCCCOCCCCCCCCCCl 34a_100009868337_100011934791 [0,1,0,0,0,0|2,0,1]=4 5932 B14R0.392 FCCCOCCCCCCCCCCl 7a_100009868337_100011934791 [0,1,0,0,0,0|2,0,1]=4 5933 B14R0.392 FCCOCCCCCCCCCCBr 34a_100009813290_100011217306 [0,1,0,0,0,0|2,0,1]=4 5934 B14R0.392 FCCOCCCCCCCCCCBr 7a_100009813290_100011217306 [0,1,0,0,0,0|2,0,1]=4 5935 B14R0.392 FCCOCCCCCCCCCCCl 34a_200000033068_100011217306 [0,1,0,0,0,0|2,0,1]=4 5936 B14R0.392 FCCOCCCCCCCCCCCl 7a_200000033068_100011217306 [0,1,0,0,0,0|2,0,1]=4 5937 B14R0.392 FCOCCCCCCCCCCCBr 34a_100009812471_100015361967 [0,1,0,0,0,0|2,0,1]=4 5938 B14R0.392 FCOCCCCCCCCCCCBr 7a_100009812471_100015361967 [0,1,0,0,0,0|2,0,1]=4 5939 B14R0.392 N#CCCCCCCNCCCCCO 2230a_100000762737_100009813337 [0,1,0,0,0,0|2,0,1]=4 5940 B14R0.392 N#CCCCCCCOCCCCCBr 7a_100000746331_100009813337 [0,1,0,0,0,0|2,0,1]=4 5941 B14R0.392 N#CCCCCCCOCCCCCCl 7a_100000746330_100009813337 [0,1,0,0,0,0|2,0,1]=4 5942 B14R0.392 N#CCCCCCCOCCCCCI 7a_200012148887_100009813337 [0,1,0,0,0,0|2,0,1]=4 5943 B14R0.392 N#CCCCCCCSCCCCC=O 62a_100000139335_100009813337 [0,1,0,0,0,0|1,0,1]=3 5944 B14R0.392 N#CCCCCCCSCCCCC=O 62a_100009813337_100000139335 [0,1,0,0,0,0|1,0,1]=3 5945 B14R0.392 N#CCCCCCCSCCCCCF 62a_100000729378_100009813337 [0,1,0,0,0,0|2,0,1]=4 5946 B14R0.392 N#CCCCCCCSCCCCCF 62a_100009813337_100000729378 [0,1,0,0,0,0|2,0,1]=4 5947 B14R0.392 N#CCCCCCCSCCCCCO 62a_100000746330_100009813337 [0,1,0,0,0,0|2,0,1]=4 5948 B14R0.392 N#CCCCCCCSCCCCCO 62a_100009813337_100000746330 [0,1,0,0,0,0|2,0,1]=4 5949 B14R0.392 N#CCCCCCNCCCCCCO 2230a_100000686447_100009813376 [0,1,0,0,0,0|2,0,1]=4 5950 B14R0.392 N#CCCCCCOCCCCCCBr 7a_100011215345_100009813376 [0,1,0,0,0,0|2,0,1]=4 5951 B14R0.392 N#CCCCCCOCCCCCCCl 7a_100000766143_100009813376 [0,1,0,0,0,0|2,0,1]=4 5952 B14R0.392 N#CCCCCCOCCCCCCF 7a_100000732779_100009813376 [0,1,0,0,0,0|2,0,1]=4 5953 B14R0.392 N#CCCCCCSCCCCCC=O 62a_100000139337_100009813376 [0,1,0,0,0,0|1,0,1]=3 5954 B14R0.392 N#CCCCCCSCCCCCC=O 62a_100009813376_100000139337 [0,1,0,0,0,0|1,0,1]=3 5955 B14R0.392 N#CCCCCCSCCCCCCF 62a_100009813376_100015922095 [0,1,0,0,0,0|2,0,1]=4 5956 B14R0.392 N#CCCCCCSCCCCCCF 62a_100015922095_100009813376 [0,1,0,0,0,0|2,0,1]=4 5957 B14R0.392 N#CCCCCCSCCCCCCO 62a_100000766143_100009813376 [0,1,0,0,0,0|2,0,1]=4 5958 B14R0.392 N#CCCCCCSCCCCCCO 62a_100009813376_100000766143 [0,1,0,0,0,0|2,0,1]=4 5959 B14R0.392 N#CCCCCNCCCCCCCO 2230a_100011996573_100000211819 [0,1,0,0,0,0|2,0,1]=4 5960 B14R0.392 N#CCCCCOCCCCCCCBr 7a_100000760002_100000211819 [0,1,0,0,0,0|2,0,1]=4 5961 B14R0.392 N#CCCCCSCCCCCCCO 62a_100000760002_100000211819 [0,1,0,0,0,0|2,0,1]=4 5962 B14R0.392 N#CCCCCSCCCCCCCO 62a_100011219923_100000760002 [0,1,0,0,0,0|2,0,1]=4 5963 B14R0.392 N#CCCCNCCCCCCCCO 2230a_102515433106_100000687738 [0,1,0,0,0,0|2,0,1]=4 5964 B14R0.392 N#CCCCOCCCCCCCCBr 7a_100009813846_100000687738 [0,1,0,0,0,0|2,0,1]=4 5965 B14R0.392 N#CCCCOCCCCCCCCCl 7a_100000033203_100000687738 [0,1,0,0,0,0|2,0,1]=4 5966 B14R0.392 N#CCCCSCCCCCCCCO 62a_100000033203_100000687738 [0,1,0,0,0,0|2,0,1]=4 5967 B14R0.392 N#CCCCSCCCCCCCCO 62a_100000687738_100000033203 [0,1,0,0,0,0|2,0,1]=4 5968 B14R0.392 N#CCCNCCCCCCCCCO 2230a_100000078944_100011215226 [0,1,0,0,0,0|2,0,1]=4 5969 B14R0.392 N#CCCOCCCCCCCCCBr 7a_100009813782_100000184422 [0,1,0,0,0,0|2,0,1]=4 5970 B14R0.392 N#CCCOCCCCCCCCCCl 7a_100009868337_100000184422 [0,1,0,0,0,0|2,0,1]=4 5971 B14R0.392 N#CCCSCCCCCCCCCO 62a_100009813782_100011215226 [0,1,0,0,0,0|2,0,1]=4 5972 B14R0.392 N#CCCSCCCCCCCCCO 62a_100011215226_100009813782 [0,1,0,0,0,0|2,0,1]=4 5973 B14R0.392 N#CCNCCCCCCCCCCO 2230a_100000066964_100011215382 [0,1,0,0,0,0|2,0,1]=4 5974 B14R0.392 N#CCOCCCCCCCCCCBr 7a_100009813290_100011215382 [0,1,0,0,0,0|2,0,1]=4 5975 B14R0.392 N#CCOCCCCCCCCCCCl 7a_200000033068_100011215382 [0,1,0,0,0,0|2,0,1]=4 5976 B14R0.392 N#CCSCCCCCCCCCCO 62a_100009813290_100011215382 [0,1,0,0,0,0|2,0,1]=4 5977 B14R0.392 N#CCSCCCCCCCCCCO 62a_100011215382_200000033068 [0,1,0,0,0,0|2,0,1]=4 5978 B14R0.392 NCCCCCCCCCCOCC=O 34a_100000066964_200009817547 [0,1,0,0,0,0|1,0,0]=2 5979 B14R0.392 NCCCCCCCCCCOCCF 34a_100000066964_100011217306 [0,1,0,0,0,0|2,0,1]=4 5980 B14R0.392 NCCCCCCCCCCOCCO 34a_100000066964_100000211926 [0,1,0,0,0,0|1,0,2]=4 5981 B14R0.392 NCCCCCCCCCOCCCF 34a_100000078944_100011934791 [0,1,0,0,0,0|2,0,1]=4 5982 B14R0.392 NCCCCCCCCCOCCCO 34a_100000078944_100000230001 [0,1,0,0,0,0|1,0,2]=4 5983 B14R0.392 NCCCCCCCCOCCCCF 34a_102515433106_100000729493 [0,1,0,0,0,0|2,0,1]=4 5984 B14R0.392 NCCCCCCCCOCCCCO 34a_102515433106_100011216708 [0,1,0,0,0,0|1,0,2]=4 5985 B14R0.392 NCCCCCCCOCCCCCF 34a_100011996573_100000729378 [0,1,0,0,0,0|2,0,1]=4 5986 B14R0.392 NCCCCCCCOCCCCCO 34a_100011996573_100000746330 [0,1,0,0,0,0|1,0,2]=4 5987 B14R0.392 NCCCCCCOCCCCCCF 34a_100000686447_100015922095 [0,1,0,0,0,0|2,0,1]=4 5988 B14R0.392 NCCCCCCOCCCCCCO 34a_100000686447_100000766143 [0,1,0,0,0,0|1,0,2]=4 5989 B14R0.392 NCCCCCOCCCCCCCO 34a_100000762737_100000760002 [0,1,0,0,0,0|1,0,2]=4 5990 B14R0.392 NCCCCOCCCCCCCCO 34a_100000750430_100000033203 [0,1,0,0,0,0|1,0,2]=4 5991 B14R0.392 NCCCOCCCCCCCCCO 34a_100000182051_100009813782 [0,1,0,0,0,0|1,0,2]=4 5992 B14R0.392 NCCOCCCCCCCCCCO 34a_100000210304_100009813290 [0,1,0,0,0,0|1,0,2]=4 5993 B14R0.392 NOCCOCCCCCCCCCO 34a_100000700252_100009813782 [0,1,0,0,0,0|3,0,0]=4 5994 B14R0.392 O=CCCCCCNCCCCCCO 2230a_100000686447_100000139337 [0,1,0,0,0,0|1,0,0]=2 5995 B14R0.392 O=CCCCCCOCCCCCCBr 7a_100011215345_100000139337 [0,1,0,0,0,0|1,0,0]=2 5996 B14R0.392 O=CCCCCCOCCCCCCCl 7a_100000766143_100000139337 [0,1,0,0,0,0|1,0,0]=2 5997 B14R0.392 O=CCCCCCOCCCCCCF 7a_100000732779_100000139337 [0,1,0,0,0,0|1,0,0]=2 5998 B14R0.392 O=CCCCCCSCCCCCC=O 62a_100000139337_100000139337 [0,1,0,0,0,0|1,0,1]=3 5999 B14R0.392 O=CCCCCCSCCCCCCF 62a_100000139337_100015922095 [0,1,0,0,0,0|1,0,0]=2 6000 B14R0.392 O=CCCCCCSCCCCCCF 62a_100015922095_100000139337 [0,1,0,0,0,0|1,0,0]=2 6001 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000139337_100000766143 [0,1,0,0,0,0|1,0,0]=2 6002 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000766143_100000139337 [0,1,0,0,0,0|1,0,0]=2 6003 B14R0.392 O=CCCCCNCCCCCCCO 2230a_100011996573_100000139335 [0,1,0,0,0,0|1,0,0]=2 6004 B14R0.392 O=CCCCCNCCCOCCCO 2230a_100011310245_100000139335 [0,1,0,0,0,0|2,0,0]=3 6005 B14R0.392 O=CCCCCOCCCCCCCBr 7a_100000760002_100000139335 [0,1,0,0,0,0|1,0,0]=2 6006 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000139335_100000760002 [0,1,0,0,0,0|1,0,0]=2 6007 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000760002_100000139335 [0,1,0,0,0,0|1,0,0]=2 6008 B14R0.392 O=CCCCNCCCCCCCCO 2230a_102515433106_200011292268 [0,1,0,0,0,0|1,0,0]=2 6009 B14R0.392 O=CCCCNCCOCCOCCO 2230a_100011998139_200011292268 [0,1,0,0,0,0|3,0,0]=4 6010 B14R0.392 O=CCCCOCCCCCCCCBr 7a_100009813846_200011292268 [0,1,0,0,0,0|1,0,0]=2 6011 B14R0.392 O=CCCCOCCCCCCCCCl 7a_100000033203_200011292268 [0,1,0,0,0,0|1,0,0]=2 6012 B14R0.392 O=CCCCOCCOCCOCCBr 7a_100010132937_200011292268 [0,1,0,0,0,0|3,0,0]=4 6013 B14R0.392 O=CCCCOCCOCCOCCCl 7a_100000032323_200011292268 [0,1,0,0,0,0|3,0,0]=4 6014 B14R0.392 O=CCCCSCCCCCCCCO 62a_100000033203_200011292268 [0,1,0,0,0,0|1,0,0]=2 6015 B14R0.392 O=CCCCSCCCCCCCCO 62a_200011292268_100000033203 [0,1,0,0,0,0|1,0,0]=2 6016 B14R0.392 O=CCCCSCCOCCOCCO 62a_100000032323_200011292268 [0,1,0,0,0,0|3,0,0]=4 6017 B14R0.392 O=CCCCSCCOCCOCCO 62a_200011292268_100000032323 [0,1,0,0,0,0|3,0,0]=4 6018 B14R0.392 O=CCNCCCCCCCCCCO 2230a_100000066964_200015260668 [0,1,0,0,0,0|1,0,0]=2 6019 B14R0.392 O=CCNCCCCCCCCCCO 34a_100000066964_200009817547 [0,1,0,0,0,0|1,0,0]=2 6020 B14R0.392 O=CCOCCCCCCCCCCBr 34a_100009813290_200009817547 [0,1,0,0,0,0|1,0,0]=2 6021 B14R0.392 O=CCOCCCCCCCCCCBr 7a_100009813290_200015260668 [0,1,0,0,0,0|1,0,0]=2 6022 B14R0.392 O=CCOCCCCCCCCCCCl 34a_200000033068_200009817547 [0,1,0,0,0,0|1,0,0]=2 6023 B14R0.392 O=CCOCCCCCCCCCCCl 7a_200000033068_200015260668 [0,1,0,0,0,0|1,0,0]=2 6024 B14R0.392 O=CCSCCCCCCCCCCO 62a_100009813290_200015260668 [0,1,0,0,0,0|1,0,0]=2 6025 B14R0.392 O=CCSCCCCCCCCCCO 62a_200015260668_200000033068 [0,1,0,0,0,0|1,0,0]=2 6026 B14R0.392 OCCCCCCCCCCCSCF 62a_100009812471_100015361967 [0,1,0,0,0,0|1,0,2]=4 6027 B14R0.392 OCCCCCCCCCCNCCF 2230a_100000066964_100011217306 [0,1,0,0,0,0|1,0,2]=4 6028 B14R0.392 OCCCCCCCCCCNCCF 34a_100000066964_100011217306 [0,1,0,0,0,0|1,0,2]=4 6029 B14R0.392 OCCCCCCCCCCNCCF 34a_100000724931_100009813290 [0,1,0,0,0,0|1,0,2]=4 6030 B14R0.392 OCCCCCCCCCCNCCO 2230a_100000066964_100000211926 [0,1,0,0,0,0|1,0,2]=4 6031 B14R0.392 OCCCCCCCCCCNCCO 2230a_100016997473_100009813290 [0,1,0,0,0,0|1,0,2]=4 6032 B14R0.392 OCCCCCCCCCCNCCO 34a_100000066964_100000211926 [0,1,0,0,0,0|1,0,2]=4 6033 B14R0.392 OCCCCCCCCCCNCCO 34a_100016990907_100009813290 [0,1,0,0,0,0|1,0,2]=4 6034 B14R0.392 OCCCCCCCCCCOCCBr 34a_100000211926_100009813290 [0,1,0,0,0,0|1,0,2]=4 6035 B14R0.392 OCCCCCCCCCCSCCF 62a_100009813290_100011217306 [0,1,0,0,0,0|1,0,2]=4 6036 B14R0.392 OCCCCCCCCCCSCCF 62a_100011217306_200000033068 [0,1,0,0,0,0|1,0,2]=4 6037 B14R0.392 OCCCCCCCCCCSCCO 62a_100000211926_200000033068 [0,1,0,0,0,0|1,0,2]=4 6038 B14R0.392 OCCCCCCCCCCSCCO 62a_100009813290_100000211926 [0,1,0,0,0,0|1,0,2]=4 6039 B14R0.392 OCCCCCCCCCNCCCF 2230a_100000078944_100011934791 [0,1,0,0,0,0|1,0,2]=4 6040 B14R0.392 OCCCCCCCCCNCCCF 2230a_100015189416_100009813782 [0,1,0,0,0,0|1,0,2]=4 6041 B14R0.392 OCCCCCCCCCNCCCF 34a_100000078944_100011934791 [0,1,0,0,0,0|1,0,2]=4 6042 B14R0.392 OCCCCCCCCCNCCCF 34a_100015189416_100009813782 [0,1,0,0,0,0|1,0,2]=4 6043 B14R0.392 OCCCCCCCCCNCCCO 2230a_100000078944_100000230001 [0,1,0,0,0,0|1,0,2]=4 6044 B14R0.392 OCCCCCCCCCNCCCO 34a_100000078944_100000230001 [0,1,0,0,0,0|1,0,2]=4 6045 B14R0.392 OCCCCCCCCCOCCCBr 34a_100011217188_100009813782 [0,1,0,0,0,0|1,0,2]=4 6046 B14R0.392 OCCCCCCCCCOCCCCl 34a_100000230001_100009813782 [0,1,0,0,0,0|1,0,2]=4 6047 B14R0.392 OCCCCCCCCCOCCCF 34a_100000759539_100009813782 [0,1,0,0,0,0|1,0,2]=4 6048 B14R0.392 OCCCCCCCCCSCCCF 62a_100009813782_100011934791 [0,1,0,0,0,0|1,0,2]=4 6049 B14R0.392 OCCCCCCCCCSCCCF 62a_100011934791_100009813782 [0,1,0,0,0,0|1,0,2]=4 6050 B14R0.392 OCCCCCCCCCSCCCO 62a_100009813782_100011215043 [0,1,0,0,0,0|1,0,2]=4 6051 B14R0.392 OCCCCCCCCCSCCCO 62a_100011215043_100009813782 [0,1,0,0,0,0|1,0,2]=4 6052 B14R0.392 OCCCCCCCCNCCCCF 2230a_102515433106_100000729493 [0,1,0,0,0,0|1,0,2]=4 6053 B14R0.392 OCCCCCCCCNCCCCF 34a_102515433106_100000729493 [0,1,0,0,0,0|1,0,2]=4 6054 B14R0.392 OCCCCCCCCNCCCCO 2230a_100000750430_100000033203 [0,1,0,0,0,0|1,0,2]=4 6055 B14R0.392 OCCCCCCCCNCCCCO 2230a_102515433106_100000210776 [0,1,0,0,0,0|1,0,2]=4 6056 B14R0.392 OCCCCCCCCNCCCCO 34a_100000750430_100000033203 [0,1,0,0,0,0|1,0,2]=4 6057 B14R0.392 OCCCCCCCCNCCCCO 34a_102515433106_100011216708 [0,1,0,0,0,0|1,0,2]=4 6058 B14R0.392 OCCCCCCCCOCCCCBr 34a_100011216708_100000033203 [0,1,0,0,0,0|1,0,2]=4 6059 B14R0.392 OCCCCCCCCOCCCCCl 34a_100000210776_100000033203 [0,1,0,0,0,0|1,0,2]=4 6060 B14R0.392 OCCCCCCCCOCCCCCl 7a_100000210776_100000033203 [0,1,0,0,0,0|1,0,2]=4 6061 B14R0.392 OCCCCCCCCOCCCCF 34a_100011995726_100000033203 [0,1,0,0,0,0|1,0,2]=4 6062 B14R0.392 OCCCCCCCCOCCCCF 7a_100011995726_100000033203 [0,1,0,0,0,0|1,0,2]=4 6063 B14R0.392 OCCCCCCCCOCCCCI 34a_200012148704_100000033203 [0,1,0,0,0,0|1,0,2]=4 6064 B14R0.392 OCCCCCCCCSCCCCF 62a_100000033203_100000729493 [0,1,0,0,0,0|1,0,2]=4 6065 B14R0.392 OCCCCCCCCSCCCCF 62a_100000729493_100000033203 [0,1,0,0,0,0|1,0,2]=4 6066 B14R0.392 OCCCCCCCCSCCCCO 62a_100000033203_100000210776 [0,1,0,0,0,0|1,0,2]=4 6067 B14R0.392 OCCCCCCCCSCCCCO 62a_100000210776_100000033203 [0,1,0,0,0,0|1,0,2]=4 6068 B14R0.392 OCCCCCCCNCCCCCF 2230a_100011996573_100000729378 [0,1,0,0,0,0|1,0,2]=4 6069 B14R0.392 OCCCCCCCNCCCCCF 34a_100011996573_100000729378 [0,1,0,0,0,0|1,0,2]=4 6070 B14R0.392 OCCCCCCCNCCCCCO 2230a_100000762737_100000760002 [0,1,0,0,0,0|1,0,2]=4 6071 B14R0.392 OCCCCCCCNCCCCCO 2230a_100011996573_100000746330 [0,1,0,0,0,0|1,0,2]=4 6072 B14R0.392 OCCCCCCCNCCCCCO 34a_100000762737_100000760002 [0,1,0,0,0,0|1,0,2]=4 6073 B14R0.392 OCCCCCCCNCCCCCO 34a_100011996573_100000746330 [0,1,0,0,0,0|1,0,2]=4 6074 B14R0.392 OCCCCCCCOCCCCCBr 34a_100000746331_100000760002 [0,1,0,0,0,0|1,0,2]=4 6075 B14R0.392 OCCCCCCCOCCCCCBr 7a_100000746331_100000760002 [0,1,0,0,0,0|1,0,2]=4 6076 B14R0.392 OCCCCCCCOCCCCCCl 34a_100000746330_100000760002 [0,1,0,0,0,0|1,0,2]=4 6077 B14R0.392 OCCCCCCCOCCCCCCl 7a_100000746330_100000760002 [0,1,0,0,0,0|1,0,2]=4 6078 B14R0.392 OCCCCCCCOCCCCCI 34a_200012148887_100000760002 [0,1,0,0,0,0|1,0,2]=4 6079 B14R0.392 OCCCCCCCOCCCCCI 7a_200012148887_100000760002 [0,1,0,0,0,0|1,0,2]=4 6080 B14R0.392 OCCCCCCCSCCCCCF 62a_100000729378_100000760002 [0,1,0,0,0,0|1,0,2]=4 6081 B14R0.392 OCCCCCCCSCCCCCF 62a_100000760002_100000729378 [0,1,0,0,0,0|1,0,2]=4 6082 B14R0.392 OCCCCCCCSCCCCCO 62a_100000746330_100000760002 [0,1,0,0,0,0|1,0,2]=4 6083 B14R0.392 OCCCCCCCSCCCCCO 62a_100000760002_100000746330 [0,1,0,0,0,0|1,0,2]=4 6084 B14R0.392 OCCCCCCNCCCCCCF 2230a_100000686447_100015922095 [0,1,0,0,0,0|1,0,2]=4 6085 B14R0.392 OCCCCCCNCCCCCCF 34a_100000686447_100015922095 [0,1,0,0,0,0|1,0,2]=4 6086 B14R0.392 OCCCCCCNCCCCCCO 2230a_100000686447_100000766143 [0,1,0,0,0,0|1,0,2]=4 6087 B14R0.392 OCCCCCCNCCCCCCO 34a_100000686447_100000766143 [0,1,0,0,0,0|1,0,2]=4 6088 B14R0.392 OCCCCCCOCCCCCCBr 34a_100011215345_100000766143 [0,1,0,0,0,0|1,0,2]=4 6089 B14R0.392 OCCCCCCOCCCCCCBr 7a_100011215345_100000766143 [0,1,0,0,0,0|1,0,2]=4 6090 B14R0.392 OCCCCCCOCCCCCCCl 34a_100000766143_100000766143 [0,1,0,0,0,0|1,0,2]=4 6091 B14R0.392 OCCCCCCOCCCCCCCl 7a_100000766143_100000766143 [0,1,0,0,0,0|1,0,2]=4 6092 B14R0.392 OCCCCCCOCCCCCCF 34a_100000732779_100000766143 [0,1,0,0,0,0|1,0,2]=4 6093 B14R0.392 OCCCCCCOCCCCCCF 7a_100000732779_100000766143 [0,1,0,0,0,0|1,0,2]=4 6094 B14R0.392 OCCCCCCSCCCCCCF 62a_100000766143_100015922095 [0,1,0,0,0,0|1,0,2]=4 6095 B14R0.392 OCCCCCCSCCCCCCF 62a_100015922095_100000766143 [0,1,0,0,0,0|1,0,2]=4 6096 B14R0.392 OCCCCCCSCCCCCCO 62a_100000766143_100000766143 [0,1,0,0,0,0|1,0,2]=4 6097 B14R0.392 OCCCCCOCCCCCCCBr 34a_100000760002_100000746330 [0,1,0,0,0,0|1,0,2]=4 6098 B14R0.392 OCCCCCOCCCCCCCBr 7a_100000760002_100000746330 [0,1,0,0,0,0|1,0,2]=4 6099 B14R0.392 OCCCCOCCCCCCCCBr 34a_100009813846_100011216708 [0,1,0,0,0,0|1,0,2]=4 6100 B14R0.392 OCCCCOCCCCCCCCBr 7a_100009813846_100000210776 [0,1,0,0,0,0|1,0,2]=4 6101 B14R0.392 OCCCCOCCCCCCCCCl 34a_100000033203_100011216708 [0,1,0,0,0,0|1,0,2]=4 6102 B14R0.392 OCCCCOCCCCCCCCCl 7a_100000033203_100000210776 [0,1,0,0,0,0|1,0,2]=4 6103 B14R0.392 OCCCOCCCCCCCCCBr 34a_100009813782_100000230001 [0,1,0,0,0,0|1,0,2]=4 6104 B14R0.392 OCCCOCCCCCCCCCBr 7a_100009813782_100011215043 [0,1,0,0,0,0|1,0,2]=4 6105 B14R0.392 OCCCOCCCCCCCCCCl 34a_100009868337_100000230001 [0,1,0,0,0,0|1,0,2]=4 6106 B14R0.392 OCCCOCCCCCCCCCCl 7a_100009868337_100011215043 [0,1,0,0,0,0|1,0,2]=4 6107 B14R0.392 OCCOCCCCCCCCCCBr 34a_100009813290_100000211926 [0,1,0,0,0,0|1,0,2]=4 6108 B14R0.392 OCCOCCCCCCCCCCBr 7a_100009813290_100000211926 [0,1,0,0,0,0|1,0,2]=4 6109 B14R0.392 OCCOCCCCCCCCCCCl 34a_200000033068_100000211926 [0,1,0,0,0,0|1,0,2]=4 6110 B14R0.392 OCCOCCCCCCCCCCCl 7a_200000033068_100000211926 [0,1,0,0,0,0|1,0,2]=4 6111 B14R0.392 [13CH3]NCCCCCCCCCCCCO 2230a_100000066677_200025704644 [0,1,0,0,0,0|0,0,2]=3 6112 B14R0.392 [13CH3]NCCCCCCCCCCCCO 34a_100000066677_200025704644 [0,1,0,0,0,0|0,0,2]=3 6113 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 34a_100009813331_200025704644 [0,1,0,0,0,0|1,0,1]=3 6114 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 7a_100009813331_200025704644 [0,1,0,0,0,0|1,0,1]=3 6115 B14R0.392 [13CH3]OCCCCCCCCCCCCN 34a_100000066677_200025704644 [0,1,0,0,0,0|1,0,1]=3 6116 B14R0.392 [13CH3]OCCCCCOCCCCCCCl 34a_200132310570_200025704644 [0,1,0,0,0,0|2,0,1]=4 6117 B14R0.392 [13CH3]OCCCCCOCCCCCCCl 7a_200132310570_200025704644 [0,1,0,0,0,0|2,0,1]=4 6118 B14R0.392 [13CH3]SCCCCCCCCCCCCO 62a_100009813331_200025704644 [0,1,0,0,0,0|0,0,2]=3 6119 B14R0.392 [13CH3]SCCCCCCOCCCCCO 62a_200025704644_200132310570 [0,1,0,0,0,0|1,0,2]=4 6120 B14R0.392 [13CH3]SCCCCCCOCCCCCO 62a_200132310570_200025704644 [0,1,0,0,0,0|1,0,2]=4 6121 B14R0.392 [N-]=[N+]=NCCCCCCNCCCC=O 2230a_200000049180_200011292268 [0,1,0,0,0,0|3,0,0]=4 6122 B14R0.392 [N-]=[N+]=NCCCCNCCCCCC=O 2230a_100000101370_100000139337 [0,1,0,0,0,0|3,0,0]=4 6123 B14R0.393 C#CCC(=O)CCCCCCCCCC 1458a_100000210375_100000184674 [0,1,0,0,0,0|1,0,2]=4 6124 B14R0.393 C#CCC(=O)CCCCCCCCCC 1458a_100011220946_100000210319 [0,1,0,0,0,0|1,0,2]=4 6125 B14R0.393 C#CCC(C)OCCCCCCCCC 34a_100000685586_100011214924 [0,1,0,0,0,0|2,0,1]=4 6126 B14R0.393 C#CCC(C)OCCCCCCCCC 7a_100000685586_100000210328 [0,1,0,0,0,0|2,0,1]=4 6127 B14R0.393 C#CCCCCCCCCC(=O)CCC 1458a_100000029693_100000210303 [0,1,0,0,0,0|1,0,2]=4 6128 B14R0.393 C#CCCCCCCCNC(C)CCC 2230a_100000741246_100153394163 [0,1,0,0,0,0|2,0,1]=4 6129 B14R0.393 C#CCCCCCCCOC(C)CCC 34a_100000054614_100000766640 [0,1,0,0,0,0|2,0,1]=4 6130 B14R0.393 C#CCCCCCCCOC(C)CCC 34a_100000764384_100153394163 [0,1,0,0,0,0|2,0,1]=4 6131 B14R0.393 C#CCCCCCCCOC(C)CCC 7a_100000054614_100000766640 [0,1,0,0,0,0|2,0,1]=4 6132 B14R0.393 C#CCCCCCCCOC(C)CCC 7a_100000764384_100153394163 [0,1,0,0,0,0|2,0,1]=4 6133 B14R0.393 C#CCCCCCCCSC(C)CCC 62a_100000766640_100153394163 [0,1,0,0,0,0|2,0,1]=4 6134 B14R0.393 C#CCCCCCCCSC(C)CCC 62a_100153394163_100000766640 [0,1,0,0,0,0|2,0,1]=4 6135 B14R0.393 C#CCCCCCCOCC(C)CCC 34a_100000688023_100012276617 [0,1,0,0,0,0|2,0,1]=4 6136 B14R0.393 C#CCCCCCCOCC(C)CCC 34a_100011217361_100011216630 [0,1,0,0,0,0|2,0,1]=4 6137 B14R0.393 C#CCCCCCCOCC(C)CCC 7a_100000688023_100012276617 [0,1,0,0,0,0|2,0,1]=4 6138 B14R0.393 C#CCCCCCCOCC(C)CCC 7a_100011217361_100011216630 [0,1,0,0,0,0|2,0,1]=4 6139 B14R0.393 C#CCCCCCCOC[C@@H](N)CCC 34a_100000732646_100012276617 [0,1,0,0,0,0|2,0,1]=4 6140 B14R0.393 C#CCCCCCCSCC(C)CCC 62a_100011216630_100012276617 [0,1,0,0,0,0|2,0,1]=4 6141 B14R0.393 C#CCCCCCCSCC(C)CCC 62a_100012276617_100011216630 [0,1,0,0,0,0|2,0,1]=4 6142 B14R0.393 C#CCCCCCOCCC(C)CCC 34a_100011217855_100012094781 [0,1,0,0,0,0|2,0,1]=4 6143 B14R0.393 C#CCCCCCOCCC(C)CCC 7a_100011217855_100012094781 [0,1,0,0,0,0|2,0,1]=4 6144 B14R0.393 C#CCCCCCOCC[C@@H](N)CCC 34a_100015193777_100012094781 [0,1,0,0,0,0|2,0,1]=4 6145 B14R0.393 C#CCCCCOCCCC(C)CCC 34a_100011713154_100010269958 [0,1,0,0,0,0|2,0,1]=4 6146 B14R0.393 C#CCCCCOCCCC(C)CCC 7a_100011713154_100010269958 [0,1,0,0,0,0|2,0,1]=4 6147 B14R0.393 C#CCN(C)CCCCCCCCCC 2230a_100000207566_100000038162 [0,1,0,0,0,0|2,0,1]=4 6148 B14R0.393 C#CCN(C)CCCCCCCCCC 2230a_100000225692_100000210320 [0,1,0,0,0,0|2,0,1]=4 6149 B14R0.393 C#CCN(C)CCCCCCCCCC 34a_100000225692_100000210320 [0,1,0,0,0,0|2,0,1]=4 6150 B14R0.393 C/C=C/C(C)OCCCCCCCCC 34a_200102604097_100011214924 [0,1,0,0,0,0|2,0,1]=4 6151 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210193_100000210319 [0,1,0,0,0,0|1,0,1]=3 6152 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210375_100000210623 [0,1,0,0,0,0|1,0,1]=3 6153 B14R0.393 C=CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210623 [0,1,0,0,0,0|2,0,1]=4 6154 B14R0.393 C=CCC(=O)CCCCCCCCCO 1458a_100000210193_100009813782 [0,1,0,0,0,0|2,0,1]=4 6155 B14R0.393 C=CCC(=O)COCCCCCCCC 1458a_100000759886_100000210623 [0,1,0,0,0,0|2,0,1]=4 6156 B14R0.393 C=CCC(=O)NCCCCCCCCC 11a_100000212291_100000210193 [0,1,0,0,0,0|2,0,1]=4 6157 B14R0.393 C=CCC(=O)NCCCCCCCCC 1626a_100000212291_100000210193 [0,1,0,0,0,0|2,0,1]=4 6158 B14R0.393 C=CCC(=O)NCCCCCCCCC 240690a_100000212291_100000210193 [0,1,0,0,0,0|2,0,1]=4 6159 B14R0.393 C=CCC(=O)NCCCCCCCCC 527a_100000212291_100000210193 [0,1,0,0,0,0|2,0,1]=4 6160 B14R0.393 C=CCC(C)COCCCCCCCC 34a_100009832082_100000210759 [0,1,0,0,0,0|2,0,0]=3 6161 B14R0.393 C=CCC(C)COCCCCCCCC 7a_100009832082_100000210759 [0,1,0,0,0,0|2,0,0]=3 6162 B14R0.393 C=CCC(C)COCCCCCCCO 34a_100009832082_100000760002 [0,1,0,0,0,0|3,0,0]=4 6163 B14R0.393 C=CCC(C)COCCCCCCCO 7a_100009832082_100000760002 [0,1,0,0,0,0|3,0,0]=4 6164 B14R0.393 C=CCC(C)COCCCCCCOC 34a_100009832082_100011998445 [0,1,0,0,0,0|3,0,0]=4 6165 B14R0.393 C=CCC(C)COCCCCCCOC 7a_100009832082_100011998445 [0,1,0,0,0,0|3,0,0]=4 6166 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211349_100000210303 [0,1,0,0,0,0|1,0,1]=3 6167 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211992_100011933949 [0,1,0,0,0,0|1,0,1]=3 6168 B14R0.393 C=CCCCCCCCCC(=O)CCF 1458a_100000211349_100011217306 [0,1,0,0,0,0|2,0,1]=4 6169 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100000211349_100000211926 [0,1,0,0,0,0|2,0,1]=4 6170 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100011216618_100011933949 [0,1,0,0,0,0|2,0,1]=4 6171 B14R0.393 C=CCCCCCCCCC(=O)COC 1458a_100000210968_100011933949 [0,1,0,0,0,0|2,0,1]=4 6172 B14R0.393 C=CCCCCCCCCC(=O)CSC 1458a_100000184570_100011933949 [0,1,0,0,0,0|2,0,1]=4 6173 B14R0.393 C=CCCCCCCCCC(=O)NCC 11a_100015525214_100000211349 [0,1,0,0,0,0|2,0,1]=4 6174 B14R0.393 C=CCCCCCCCCC(=O)NCC 240690a_100015525214_100000211349 [0,1,0,0,0,0|2,0,1]=4 6175 B14R0.393 C=CCCCCCCCCC(=O)NCC 527a_100015525214_100000211349 [0,1,0,0,0,0|2,0,1]=4 6176 B14R0.393 C=CCCCCCCCCN(C)CCC 2230a_100000747261_100011933949 [0,1,0,0,0,0|2,0,0]=3 6177 B14R0.393 C=CCCCCCCCCN(C)CCC 269982a_100000747261_100011933949 [0,1,0,0,0,0|2,0,0]=3 6178 B14R0.393 C=CCCCCCCCCN(C)CCO 2230a_100000210263_100011933949 [0,1,0,0,0,0|3,0,0]=4 6179 B14R0.393 C=CCCCCCCCCN(C)CCO 269982a_100000210263_100011933949 [0,1,0,0,0,0|3,0,0]=4 6180 B14R0.393 C=CCCCCCCCNC(C)CCC 2230a_100000741246_100012355270 [0,1,0,0,0,0|2,0,0]=3 6181 B14R0.393 C=CCCCCCCCN[C@H](C)CCO 2230a_100000706166_100012355270 [0,1,0,0,0,0|3,0,0]=4 6182 B14R0.393 C=CCCCCCCCN[C@H](C)CCO 34a_100000706166_100012355270 [0,1,0,0,0,0|3,0,0]=4 6183 B14R0.393 C=CCCCCCCCN[C@H](C)COC 2230a_100000764878_100012355270 [0,1,0,0,0,0|3,0,0]=4 6184 B14R0.393 C=CCCCCCCCOC(C)CCBr 34a_100012276601_100012355270 [0,1,0,0,0,0|3,0,0]=4 6185 B14R0.393 C=CCCCCCCCOC(C)CCC 34a_100000730831_100000766640 [0,1,0,0,0,0|2,0,0]=3 6186 B14R0.393 C=CCCCCCCCOC(C)CCC 34a_100000764384_100012355270 [0,1,0,0,0,0|2,0,0]=3 6187 B14R0.393 C=CCCCCCCCOC(C)CCC 7a_100000730831_100000766640 [0,1,0,0,0,0|2,0,0]=3 6188 B14R0.393 C=CCCCCCCCOC(C)CCC 7a_100000764384_100012355270 [0,1,0,0,0,0|2,0,0]=3 6189 B14R0.393 C=CCCCCCCCOC(C)CCO 34a_100000730831_100009893172 [0,1,0,0,0,0|3,0,0]=4 6190 B14R0.393 C=CCCCCCCCOC(C)CCO 7a_100000730831_100009893172 [0,1,0,0,0,0|3,0,0]=4 6191 B14R0.393 C=CCCCCCCCOC(C)COC 34a_100000730831_100000765312 [0,1,0,0,0,0|3,0,0]=4 6192 B14R0.393 C=CCCCCCCCOC(C)COC 7a_100000730831_100000765312 [0,1,0,0,0,0|3,0,0]=4 6193 B14R0.393 C=CCCCCCCCO[C@H](C)COC 34a_100011934205_100012355270 [0,1,0,0,0,0|3,0,0]=4 6194 B14R0.393 C=CCCCCCCCSC(C)CCC 62a_100000766640_100012355270 [0,1,0,0,0,0|2,0,0]=3 6195 B14R0.393 C=CCCCCCCCSC(C)CCC 62a_100012355270_100000766640 [0,1,0,0,0,0|2,0,0]=3 6196 B14R0.393 C=CCCCCCCCSC(C)CCO 62a_100009893172_100012355270 [0,1,0,0,0,0|3,0,0]=4 6197 B14R0.393 C=CCCCCCCCSC(C)CCO 62a_100012355270_100009893172 [0,1,0,0,0,0|3,0,0]=4 6198 B14R0.393 C=CCCCCCCCSC(C)COC 62a_100000765312_100012355270 [0,1,0,0,0,0|3,0,0]=4 6199 B14R0.393 C=CCCCCCCCSC(C)COC 62a_100012355270_100000765312 [0,1,0,0,0,0|3,0,0]=4 6200 B14R0.393 C=CCCCCCCNCC(O)COC 2230a_100000756049_100011215473 [0,1,0,0,0,0|3,0,0]=4 6201 B14R0.393 C=CCCCCCCNCC(O)COC 34a_100000756049_100011215473 [0,1,0,0,0,0|3,0,0]=4 6202 B14R0.393 C=CCCCCCCOCC(=O)CCC 7a_200011216477_100000747444 [0,1,0,0,0,0|2,0,1]=4 6203 B14R0.393 C=CCCCCCCOCC(C)CCC 34a_100000688023_100011215473 [0,1,0,0,0,0|2,0,0]=3 6204 B14R0.393 C=CCCCCCCOCC(C)CCC 34a_200011216477_100011216630 [0,1,0,0,0,0|2,0,0]=3 6205 B14R0.393 C=CCCCCCCOCC(C)CCC 7a_100000688023_100011215473 [0,1,0,0,0,0|2,0,0]=3 6206 B14R0.393 C=CCCCCCCOCC(C)CCC 7a_200011216477_100011216630 [0,1,0,0,0,0|2,0,0]=3 6207 B14R0.393 C=CCCCCCCOCC(C)CCN 34a_106354213184_100011215473 [0,1,0,0,0,0|3,0,0]=4 6208 B14R0.393 C=CCCCCCCOCC(N)COC 34a_100000724102_100011215473 [0,1,0,0,0,0|3,0,0]=4 6209 B14R0.393 C=CCCCCCCOCC(O)COC 34a_200011216477_100011215053 [0,1,0,0,0,0|3,0,0]=4 6210 B14R0.393 C=CCCCCCCOCC(O)COC 7a_200011216477_100011215053 [0,1,0,0,0,0|3,0,0]=4 6211 B14R0.393 C=CCCCCCCOC[C@@H](N)CCC 34a_100000732646_100011215473 [0,1,0,0,0,0|2,0,0]=3 6212 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100000747444_100011215473 [0,1,0,0,0,0|2,0,1]=4 6213 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100011215473_100000747444 [0,1,0,0,0,0|2,0,1]=4 6214 B14R0.393 C=CCCCCCCSCC(C)CCC 62a_100011215473_100011216630 [0,1,0,0,0,0|2,0,0]=3 6215 B14R0.393 C=CCCCCCCSCC(C)CCC 62a_100011216630_100011215473 [0,1,0,0,0,0|2,0,0]=3 6216 B14R0.393 C=CCCCCCCSCC(O)COC 62a_100011215053_100011215473 [0,1,0,0,0,0|3,0,0]=4 6217 B14R0.393 C=CCCCCCCSCC(O)COC 62a_100011215473_100011215053 [0,1,0,0,0,0|3,0,0]=4 6218 B14R0.393 C=CCCCCCOCCC(C)CCC 34a_100011217855_100000700193 [0,1,0,0,0,0|2,0,0]=3 6219 B14R0.393 C=CCCCCCOCCC(C)CCC 7a_100011217855_100000700193 [0,1,0,0,0,0|2,0,0]=3 6220 B14R0.393 C=CCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000700193 [0,1,0,0,0,0|2,0,0]=3 6221 B14R0.393 C=CCCCCOCCCC(C)CCC 34a_100011713154_100011215482 [0,1,0,0,0,0|2,0,0]=3 6222 B14R0.393 C=CCCCCOCCCC(C)CCC 7a_100011713154_100011215482 [0,1,0,0,0,0|2,0,0]=3 6223 B14R0.393 C=CCN(C)CCCCCCCCCC 2230a_100000207566_100000210623 [0,1,0,0,0,0|2,0,0]=3 6224 B14R0.393 C=CCN(C)CCCCCCCCCC 2230a_100000225617_100000210320 [0,1,0,0,0,0|2,0,0]=3 6225 B14R0.393 C=CCN(C)CCCCCCCCCC 269982a_100000207566_100000210623 [0,1,0,0,0,0|2,0,0]=3 6226 B14R0.393 C=CCN(C)CCCCCCCCCC 269982a_100000225617_100000210320 [0,1,0,0,0,0|2,0,0]=3 6227 B14R0.393 C=CCN(C)CCCCCCCCCO 2230a_100000225617_100009813782 [0,1,0,0,0,0|3,0,0]=4 6228 B14R0.393 C=CCN(C)CCCCCCCCCO 269982a_100000225617_100009813782 [0,1,0,0,0,0|3,0,0]=4 6229 B14R0.393 C=CC[C@@H](C)OCCCCCCCCC 34a_100000731007_100011214924 [0,1,0,0,0,0|2,0,0]=3 6230 B14R0.393 C=CC[C@@H](C)OCCCCCCCCC 7a_100000731007_100000210328 [0,1,0,0,0,0|2,0,0]=3 6231 B14R0.393 C=CC[C@@H](C)OCCCCCCCCO 34a_100000731007_100000033203 [0,1,0,0,0,0|3,0,0]=4 6232 B14R0.393 C=CC[C@@H](C)OCCCCCCCCO 7a_100000731007_100000033203 [0,1,0,0,0,0|3,0,0]=4 6233 B14R0.393 C=CC[C@@H](N)COCCCCCCCC 34a_100020615467_100000210759 [0,1,0,0,0,0|2,0,0]=3 6234 B14R0.393 C=CC[C@@H](N)COCCCCCCCO 34a_100020615467_100000760002 [0,1,0,0,0,0|3,0,0]=4 6235 B14R0.393 C=CC[C@@H](N)COCCCCCCOC 34a_100020615467_100011998445 [0,1,0,0,0,0|3,0,0]=4 6236 B14R0.393 CC=CC(=O)CCCCCCCCCC 1458a_100000210699_100000210319 [0,1,0,0,0,0|1,0,2]=4 6237 B14R0.393 CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210303 [0,1,0,0,0,0|1,0,2]=4 6238 B14R0.393 CCCC(=O)CCCCCCCCCO 1458a_100000211992_100009813782 [0,1,0,0,0,0|0,0,3]=4 6239 B14R0.393 CCCC(=O)OCSCCCCCC=O 62a_100000139337_100000034017 [0,1,0,0,0,0|2,0,1]=4 6240 B14R0.393 CCCC(C)CCCOCCCCC#N 7a_100011713154_100000211819 [0,1,0,0,0,0|2,0,1]=4 6241 B14R0.393 CCCC(C)CCCOCCCCC=O 7a_100011713154_100000139335 [0,1,0,0,0,0|1,0,0]=2 6242 B14R0.393 CCCC(C)CCCOCCCCCF 34a_100011713154_100000729378 [0,1,0,0,0,0|2,0,1]=4 6243 B14R0.393 CCCC(C)CCCOCCCCCF 7a_100011713154_100000729378 [0,1,0,0,0,0|2,0,1]=4 6244 B14R0.393 CCCC(C)CCCOCCCCCO 34a_100011713154_100000746330 [0,1,0,0,0,0|1,0,2]=4 6245 B14R0.393 CCCC(C)CCCOCCCCCO 7a_100011713154_100000746330 [0,1,0,0,0,0|1,0,2]=4 6246 B14R0.393 CCCC(C)CCCOCCCCOC 34a_100011713154_100000755781 [0,1,0,0,0,0|3,0,0]=4 6247 B14R0.393 CCCC(C)CCCOCCCCOC 7a_100011713154_100000730899 [0,1,0,0,0,0|3,0,0]=4 6248 B14R0.393 CCCC(C)CCOCCCCCC#N 7a_100011217855_100009813376 [0,1,0,0,0,0|2,0,1]=4 6249 B14R0.393 CCCC(C)CCOCCCCCC=O 7a_100011217855_100000139337 [0,1,0,0,0,0|1,0,0]=2 6250 B14R0.393 CCCC(C)CCOCCCCCCF 34a_100011217855_100015922095 [0,1,0,0,0,0|2,0,1]=4 6251 B14R0.393 CCCC(C)CCOCCCCCCF 7a_100011217855_100015922095 [0,1,0,0,0,0|2,0,1]=4 6252 B14R0.393 CCCC(C)CCOCCCCCCO 34a_100011217855_100000766143 [0,1,0,0,0,0|1,0,2]=4 6253 B14R0.393 CCCC(C)CCOCCCCCCO 7a_100011217855_100000766143 [0,1,0,0,0,0|1,0,2]=4 6254 B14R0.393 CCCC(C)CNCCCCCCCO 2230a_100011996573_100011216630 [0,1,0,0,0,0|1,0,2]=4 6255 B14R0.393 CCCC(C)CNCCCCCCCO 270004a_100011996573_100000243154 [0,1,0,0,0,0|1,0,2]=4 6256 B14R0.393 CCCC(C)CNCCCCCCCO 34a_100011996573_100011216630 [0,1,0,0,0,0|1,0,2]=4 6257 B14R0.393 CCCC(C)COCCCCCCC#N 7a_100000688023_100009813337 [0,1,0,0,0,0|2,0,1]=4 6258 B14R0.393 CCCC(C)COCCCCCCCBr 34a_100000760002_100011216630 [0,1,0,0,0,0|2,0,1]=4 6259 B14R0.393 CCCC(C)COCCCCCCCBr 7a_100000760002_100011216630 [0,1,0,0,0,0|2,0,1]=4 6260 B14R0.393 CCCC(C)COCCCCCCCN 34a_100011996573_100011216630 [0,1,0,0,0,0|2,0,1]=4 6261 B14R0.393 CCCC(C)COCCCCCCCO 34a_100000688023_100000760002 [0,1,0,0,0,0|1,0,2]=4 6262 B14R0.393 CCCC(C)COCCCCCCCO 7a_100000688023_100000760002 [0,1,0,0,0,0|1,0,2]=4 6263 B14R0.393 CCCC(C)COCCCCCCOC 34a_100000688023_100011998445 [0,1,0,0,0,0|3,0,0]=4 6264 B14R0.393 CCCC(C)COCCCCCCOC 34a_200012092642_100011216630 [0,1,0,0,0,0|3,0,0]=4 6265 B14R0.393 CCCC(C)COCCCCCCOC 7a_100000688023_100011998445 [0,1,0,0,0,0|3,0,0]=4 6266 B14R0.393 CCCC(C)COCCCCCCOC 7a_200012092642_100011216630 [0,1,0,0,0,0|3,0,0]=4 6267 B14R0.393 CCCC(C)CSCCCCCCC#N 62a_100009813337_100011216630 [0,1,0,0,0,0|2,0,1]=4 6268 B14R0.393 CCCC(C)CSCCCCCCC#N 62a_100011216630_100009813337 [0,1,0,0,0,0|2,0,1]=4 6269 B14R0.393 CCCC(C)CSCCCCCCCO 62a_100000760002_100011216630 [0,1,0,0,0,0|1,0,2]=4 6270 B14R0.393 CCCC(C)CSCCCCCCCO 62a_100011216630_100000760002 [0,1,0,0,0,0|1,0,2]=4 6271 B14R0.393 CCCC(C)CSCCCCCCOC 62a_100011216630_100011998445 [0,1,0,0,0,0|3,0,0]=4 6272 B14R0.393 CCCC(C)CSCCCCCCOC 62a_100011998445_100011216630 [0,1,0,0,0,0|3,0,0]=4 6273 B14R0.393 CCCC(C)NCCCCCCCCO 2230a_100000741246_100000033203 [0,1,0,0,0,0|1,0,2]=4 6274 B14R0.393 CCCC(C)NCCCCCCCCO 2230a_102515433106_100000766640 [0,1,0,0,0,0|1,0,2]=4 6275 B14R0.393 CCCC(C)NCCCCCCCCO 270004a_102515433106_100000211909 [0,1,0,0,0,0|1,0,2]=4 6276 B14R0.393 CCCC(C)NCCCCCCCCO 34a_102515433106_100000766640 [0,1,0,0,0,0|1,0,2]=4 6277 B14R0.393 CCCC(C)OCCCCCCCCBr 34a_100009813846_100000766640 [0,1,0,0,0,0|2,0,1]=4 6278 B14R0.393 CCCC(C)OCCCCCCCCBr 7a_100009813846_100000766640 [0,1,0,0,0,0|2,0,1]=4 6279 B14R0.393 CCCC(C)OCCCCCCCCCl 34a_100000033203_100000766640 [0,1,0,0,0,0|2,0,1]=4 6280 B14R0.393 CCCC(C)OCCCCCCCCCl 7a_100000033203_100000766640 [0,1,0,0,0,0|2,0,1]=4 6281 B14R0.393 CCCC(C)OCCCCCCCCN 34a_102515433106_100000766640 [0,1,0,0,0,0|2,0,1]=4 6282 B14R0.393 CCCC(C)OCCCCCCCCO 34a_100000764384_100000033203 [0,1,0,0,0,0|1,0,2]=4 6283 B14R0.393 CCCC(C)OCCCCCCCCO 7a_100000764384_100000033203 [0,1,0,0,0,0|1,0,2]=4 6284 B14R0.393 CCCC(C)SCCCCCCCCO 62a_100000033203_100000766640 [0,1,0,0,0,0|1,0,2]=4 6285 B14R0.393 CCCC(C)SCCCCCCCCO 62a_100000766640_100000033203 [0,1,0,0,0,0|1,0,2]=4 6286 B14R0.393 CCCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210319 [0,1,0,0,0,0|1,0,2]=4 6287 B14R0.393 CCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210319 [0,1,0,0,0,0|1,0,2]=4 6288 B14R0.393 CCCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210319 [0,1,0,0,0,0|1,0,2]=4 6289 B14R0.393 CCCCCCCCCCC(=O)CC#N 1458a_100000210375_100011214920 [0,1,0,0,0,0|1,0,2]=4 6290 B14R0.393 CCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210319 [0,1,0,0,0,0|1,0,2]=4 6291 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000210375_100000210303 [0,1,0,0,0,0|1,0,2]=4 6292 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000211992_100000210319 [0,1,0,0,0,0|1,0,2]=4 6293 B14R0.393 CCCCCCCCCCC(=O)CCF 1458a_100000210375_100011217306 [0,1,0,0,0,0|1,0,2]=4 6294 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100000210375_100000211926 [0,1,0,0,0,0|0,0,3]=4 6295 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210319 [0,1,0,0,0,0|0,0,3]=4 6296 B14R0.393 CCCCCCCCCCC(=O)COC 1458a_100000210968_100000210319 [0,1,0,0,0,0|2,0,1]=4 6297 B14R0.393 CCCCCCCCCCC(=O)CSC 1458a_100000184570_100000210319 [0,1,0,0,0,0|2,0,1]=4 6298 B14R0.393 CCCCCCCCCCC(C)NCC 270004a_100015525214_200011219864 [0,1,0,0,0,0|2,0,1]=4 6299 B14R0.393 CCCCCCCCCCC(C)OCC 34a_100011215000_100000210202 [0,1,0,0,0,0|2,0,1]=4 6300 B14R0.393 CCCCCCCCCCC(C)OCC 7a_100011215000_100000210202 [0,1,0,0,0,0|2,0,1]=4 6301 B14R0.393 CCCCCCCCCCC(C)OCF 34a_100011215000_100015361967 [0,1,0,0,0,0|2,0,1]=4 6302 B14R0.393 CCCCCCCCCCC(C)OCF 7a_100011215000_100015361967 [0,1,0,0,0,0|2,0,1]=4 6303 B14R0.393 CCCCCCCCCCN(C)CC#N 2230a_100000207566_100011215382 [0,1,0,0,0,0|2,0,1]=4 6304 B14R0.393 CCCCCCCCCCN(C)CC#N 2230a_100000748184_100000210320 [0,1,0,0,0,0|2,0,1]=4 6305 B14R0.393 CCCCCCCCCCN(C)CC#N 269982a_100000207566_100011214920 [0,1,0,0,0,0|2,0,1]=4 6306 B14R0.393 CCCCCCCCCCN(C)CC=O 2230a_100000207566_200015260668 [0,1,0,0,0,0|1,0,0]=2 6307 B14R0.393 CCCCCCCCCCN(C)CC=O 269982a_100000207566_200015260668 [0,1,0,0,0,0|1,0,0]=2 6308 B14R0.393 CCCCCCCCCCN(C)CCC 2230a_100000207566_100000210303 [0,1,0,0,0,0|2,0,1]=4 6309 B14R0.393 CCCCCCCCCCN(C)CCC 2230a_100000747261_100000210320 [0,1,0,0,0,0|2,0,1]=4 6310 B14R0.393 CCCCCCCCCCN(C)CCC 269982a_100000207566_100000210303 [0,1,0,0,0,0|2,0,1]=4 6311 B14R0.393 CCCCCCCCCCN(C)CCC 269982a_100000747261_100000210320 [0,1,0,0,0,0|2,0,1]=4 6312 B14R0.393 CCCCCCCCCCN(C)CCF 2230a_100000207566_100011217306 [0,1,0,0,0,0|2,0,1]=4 6313 B14R0.393 CCCCCCCCCCN(C)CCF 269982a_100000207566_100011217306 [0,1,0,0,0,0|2,0,1]=4 6314 B14R0.393 CCCCCCCCCCN(C)CCO 2230a_100000207566_100000211926 [0,1,0,0,0,0|1,0,2]=4 6315 B14R0.393 CCCCCCCCCCN(C)CCO 2230a_100000210263_100000210320 [0,1,0,0,0,0|1,0,2]=4 6316 B14R0.393 CCCCCCCCCCN(C)CCO 269982a_100000207566_100000211926 [0,1,0,0,0,0|1,0,2]=4 6317 B14R0.393 CCCCCCCCCCN(C)CCO 269982a_100000210263_100000210320 [0,1,0,0,0,0|1,0,2]=4 6318 B14R0.393 CCCCCCCCCCN(C)COC 2230a_100000207566_100000766300 [0,1,0,0,0,0|3,0,0]=4 6319 B14R0.393 CCCCCCCCCCN(C)COC 269982a_100000207566_100000766300 [0,1,0,0,0,0|3,0,0]=4 6320 B14R0.393 CCCCCCCCCCN(C)CSC 2230a_100000207566_100011218213 [0,1,0,0,0,0|3,0,0]=4 6321 B14R0.393 CCCCCCCCCCN(C)CSC 269982a_100000207566_100011218213 [0,1,0,0,0,0|3,0,0]=4 6322 B14R0.393 CCCCCCCCCNC(C)CC#N 2230a_100000212291_100009813641 [0,1,0,0,0,0|2,0,1]=4 6323 B14R0.393 CCCCCCCCCNC(C)CCC 2230a_100000212291_100000766640 [0,1,0,0,0,0|2,0,1]=4 6324 B14R0.393 CCCCCCCCCNC(C)CCC 2230a_100000741246_100011214924 [0,1,0,0,0,0|2,0,1]=4 6325 B14R0.393 CCCCCCCCCNC(C)CCC 270004a_100000212291_100000211909 [0,1,0,0,0,0|2,0,1]=4 6326 B14R0.393 CCCCCCCCCNC(C)CCC 34a_100000212291_100000766640 [0,1,0,0,0,0|2,0,1]=4 6327 B14R0.393 CCCCCCCCCNC(C)CCO 2230a_100000212291_100009893172 [0,1,0,0,0,0|1,0,2]=4 6328 B14R0.393 CCCCCCCCCNC(C)CCO 34a_100000212291_100009893172 [0,1,0,0,0,0|1,0,2]=4 6329 B14R0.393 CCCCCCCCCNC(C)COC 2230a_100000212291_100000765312 [0,1,0,0,0,0|3,0,0]=4 6330 B14R0.393 CCCCCCCCCNC(C)COC 270004a_100000212291_100000749346 [0,1,0,0,0,0|3,0,0]=4 6331 B14R0.393 CCCCCCCCCNC(C)COC 34a_100000212291_100000765312 [0,1,0,0,0,0|3,0,0]=4 6332 B14R0.393 CCCCCCCCCNC(C)CSC 270004a_100000212291_100011216314 [0,1,0,0,0,0|3,0,0]=4 6333 B14R0.393 CCCCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100011214924 [0,1,0,0,0,0|2,0,1]=4 6334 B14R0.393 CCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100011214924 [0,1,0,0,0,0|1,0,2]=4 6335 B14R0.393 CCCCCCCCCN[C@H](C)CCO 34a_100000706166_100011214924 [0,1,0,0,0,0|1,0,2]=4 6336 B14R0.393 CCCCCCCCCN[C@H](C)COC 2230a_100000764878_100011214924 [0,1,0,0,0,0|3,0,0]=4 6337 B14R0.393 CCCCCCCCCOC(C)CC#N 7a_100000210712_100009813641 [0,1,0,0,0,0|2,0,1]=4 6338 B14R0.393 CCCCCCCCCOC(C)CCBr 34a_100012276601_100011214924 [0,1,0,0,0,0|2,0,1]=4 6339 B14R0.393 CCCCCCCCCOC(C)CCC 34a_100000210712_100000766640 [0,1,0,0,0,0|2,0,1]=4 6340 B14R0.393 CCCCCCCCCOC(C)CCC 34a_100000764384_100011214924 [0,1,0,0,0,0|2,0,1]=4 6341 B14R0.393 CCCCCCCCCOC(C)CCC 7a_100000210712_100000766640 [0,1,0,0,0,0|2,0,1]=4 6342 B14R0.393 CCCCCCCCCOC(C)CCC 7a_100000764384_100000210328 [0,1,0,0,0,0|2,0,1]=4 6343 B14R0.393 CCCCCCCCCOC(C)CCO 34a_100000210712_100009893172 [0,1,0,0,0,0|1,0,2]=4 6344 B14R0.393 CCCCCCCCCOC(C)CCO 7a_100000210712_100009893172 [0,1,0,0,0,0|1,0,2]=4 6345 B14R0.393 CCCCCCCCCOC(C)COC 34a_100000210712_100000765312 [0,1,0,0,0,0|3,0,0]=4 6346 B14R0.393 CCCCCCCCCOC(C)COC 7a_100000210712_100000765312 [0,1,0,0,0,0|3,0,0]=4 6347 B14R0.393 CCCCCCCCCO[C@H](C)COC 34a_100011934205_100011214924 [0,1,0,0,0,0|3,0,0]=4 6348 B14R0.393 CCCCCCCCCSC(C)CC#N 62a_100009813641_100000210670 [0,1,0,0,0,0|2,0,1]=4 6349 B14R0.393 CCCCCCCCCSC(C)CCC 62a_100000766640_100000210670 [0,1,0,0,0,0|2,0,1]=4 6350 B14R0.393 CCCCCCCCCSC(C)CCO 62a_100009893172_100000210670 [0,1,0,0,0,0|1,0,2]=4 6351 B14R0.393 CCCCCCCCCSC(C)COC 62a_100000765312_100000210670 [0,1,0,0,0,0|3,0,0]=4 6352 B14R0.393 CCCCCCCCNCC(C)CCC 2230a_100000229939_100011216630 [0,1,0,0,0,0|2,0,1]=4 6353 B14R0.393 CCCCCCCCNCC(C)CCC 270004a_100000229939_100000243154 [0,1,0,0,0,0|2,0,1]=4 6354 B14R0.393 CCCCCCCCNCC(C)CCC 34a_100000229939_100011216630 [0,1,0,0,0,0|2,0,1]=4 6355 B14R0.393 CCCCCCCCNCC(O)COC 2230a_100000756049_100000210759 [0,1,0,0,0,0|3,0,0]=4 6356 B14R0.393 CCCCCCCCNCC(O)COC 34a_100000229939_100011215053 [0,1,0,0,0,0|3,0,0]=4 6357 B14R0.393 CCCCCCCCNCC(O)COC 34a_100000756049_100000210759 [0,1,0,0,0,0|3,0,0]=4 6358 B14R0.393 CCCCCCCCNC[C@@H](O)CC#N 2230a_100000229939_100000001066 [0,1,0,0,0,0|2,0,1]=4 6359 B14R0.393 CCCCCCCCOCC(C)CCC 34a_100000210232_100011216630 [0,1,0,0,0,0|2,0,1]=4 6360 B14R0.393 CCCCCCCCOCC(C)CCC 34a_100000688023_100000210759 [0,1,0,0,0,0|2,0,1]=4 6361 B14R0.393 CCCCCCCCOCC(C)CCC 7a_100000210232_100011216630 [0,1,0,0,0,0|2,0,1]=4 6362 B14R0.393 CCCCCCCCOCC(C)CCC 7a_100000688023_100000210759 [0,1,0,0,0,0|2,0,1]=4 6363 B14R0.393 CCCCCCCCOCC(C)CCN 34a_106354213184_100000210759 [0,1,0,0,0,0|2,0,1]=4 6364 B14R0.393 CCCCCCCCOCC(N)COC 34a_100000724102_100000210759 [0,1,0,0,0,0|3,0,0]=4 6365 B14R0.393 CCCCCCCCOCC(O)COC 34a_100000210232_100011215053 [0,1,0,0,0,0|3,0,0]=4 6366 B14R0.393 CCCCCCCCOCC(O)COC 7a_100000210232_100011215053 [0,1,0,0,0,0|3,0,0]=4 6367 B14R0.393 CCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210759 [0,1,0,0,0,0|2,0,1]=4 6368 B14R0.393 CCCCCCCCOC[C@@H](O)CC#N 7a_100000210232_100000001066 [0,1,0,0,0,0|2,0,1]=4 6369 B14R0.393 CCCCCCCCSCC(C)CCC 62a_100000210759_100011216630 [0,1,0,0,0,0|2,0,1]=4 6370 B14R0.393 CCCCCCCCSCC(C)CCC 62a_100011216630_100000210317 [0,1,0,0,0,0|2,0,1]=4 6371 B14R0.393 CCCCCCCCSCC(O)COC 62a_100000210759_100011215053 [0,1,0,0,0,0|3,0,0]=4 6372 B14R0.393 CCCCCCCCSCC(O)COC 62a_100011215053_100000210317 [0,1,0,0,0,0|3,0,0]=4 6373 B14R0.393 CCCCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210317 [0,1,0,0,0,0|2,0,1]=4 6374 B14R0.393 CCCCCCCCSC[C@@H](O)CC#N 62a_100000210759_100000001066 [0,1,0,0,0,0|2,0,1]=4 6375 B14R0.393 CCCCCCCOCCC(C)CCC 34a_100011217855_100000210614 [0,1,0,0,0,0|2,0,1]=4 6376 B14R0.393 CCCCCCCOCCC(C)CCC 7a_100011217855_100000210614 [0,1,0,0,0,0|2,0,1]=4 6377 B14R0.393 CCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210614 [0,1,0,0,0,0|2,0,1]=4 6378 B14R0.393 CCCCCCOCCCC(C)CCC 34a_100011713154_100000210314 [0,1,0,0,0,0|2,0,1]=4 6379 B14R0.393 CCCCCCOCCCC(C)CCC 7a_100011713154_100000210314 [0,1,0,0,0,0|2,0,1]=4 6380 B14R0.393 CCCN(C)CCCCCCCCCO 2230a_100000747261_100009813782 [0,1,0,0,0,0|1,0,2]=4 6381 B14R0.393 CCCN(C)CCCCCCCCCO 269982a_100000747261_100009813782 [0,1,0,0,0,0|1,0,2]=4 6382 B14R0.393 CCC[C@H](N)CCOCCCCCCF 34a_100015193777_100015922095 [0,1,0,0,0,0|2,0,1]=4 6383 B14R0.393 CCC[C@H](N)CCOCCCCCCO 34a_100015193777_100000766143 [0,1,0,0,0,0|1,0,2]=4 6384 B14R0.393 CCC[C@H](N)COCCCCCCCO 34a_100000732646_100000760002 [0,1,0,0,0,0|1,0,2]=4 6385 B14R0.393 CCC[C@H](N)COCCCCCCOC 34a_100000732646_100011998445 [0,1,0,0,0,0|3,0,0]=4 6386 B14R0.393 CCNC(=O)CCSCCCCCC=O 62a_100000139337_100000737597 [0,1,0,0,0,0|2,0,1]=4 6387 B14R0.393 CCNC(=O)CCSCCCCCC=O 62a_100000737597_100000139337 [0,1,0,0,0,0|2,0,1]=4 6388 B14R0.393 CCOC(=O)CCCCCCSCC=O 62a_200015260668_100009814379 [0,1,0,0,0,0|2,0,1]=4 6389 B14R0.393 CCOC(=O)CCCCSCCCC=O 62a_100000750268_200011292268 [0,1,0,0,0,0|2,0,1]=4 6390 B14R0.393 CCOC(=O)CCCCSCCCC=O 62a_200011292268_100000750268 [0,1,0,0,0,0|2,0,1]=4 6391 B14R0.393 CCOC(=O)CCCOCCCCC=O 7a_100012001163_100000139335 [0,1,0,0,0,0|2,0,1]=4 6392 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100000139335_100009991533 [0,1,0,0,0,0|2,0,1]=4 6393 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100009991533_100000139335 [0,1,0,0,0,0|2,0,1]=4 6394 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000139337_100000765890 [0,1,0,0,0,0|2,0,1]=4 6395 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000765890_100000139337 [0,1,0,0,0,0|2,0,1]=4 6396 B14R0.394 C#CCCCCCCCCCOC(C)C 34a_100000034437_100000210206 [0,1,0,0,0,0|2,0,1]=4 6397 B14R0.394 C#CCCCCCCCCCOC(C)C 7a_100000034437_100000210206 [0,1,0,0,0,0|2,0,1]=4 6398 B14R0.394 C#CCCCCCCCCOCC(=O)N 34a_100000065265_100000187820 [0,1,0,0,0,0|1,0,2]=4 6399 B14R0.394 C#CCCCCCCCCOCC(=O)N 7a_100000065265_100000187820 [0,1,0,0,0,0|1,0,2]=4 6400 B14R0.394 C#CCCCCCCCCOCC(=O)[O-] 34a_100000065265_100020667443 [0,1,0,0,0,0|1,0,2]=4 6401 B14R0.394 C#CCCCCCCCCOCC(C)C 34a_100000065265_100000210624 [0,1,0,0,0,0|2,0,1]=4 6402 B14R0.394 C#CCCCCCCCCOCC(C)C 7a_100000065265_100000210760 [0,1,0,0,0,0|2,0,1]=4 6403 B14R0.394 C#CCCCCCCCCOCC(C)O 34a_100000065265_100011218427 [0,1,0,0,0,0|2,0,1]=4 6404 B14R0.394 C#CCCCCCCCCOCC(C)O 7a_100000065265_100011218427 [0,1,0,0,0,0|2,0,1]=4 6405 B14R0.394 C#CCCCCCCCCOC[C@@H](C)O 34a_100000065265_100009817552 [0,1,0,0,0,0|2,0,1]=4 6406 B14R0.394 C#CCCCCCCCCOC[C@@H](C)O 7a_100000065265_100009817552 [0,1,0,0,0,0|2,0,1]=4 6407 B14R0.394 C#CCCCCCCCNCCC(C)O 2230a_200000755665_100153394163 [0,1,0,0,0,0|2,0,1]=4 6408 B14R0.394 C#CCCCCCCCOCCC(=O)C 34a_100000759926_100153394163 [0,1,0,0,0,0|1,0,2]=4 6409 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000054614_100000053229 [0,1,0,0,0,0|1,0,2]=4 6410 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000759926_100153394163 [0,1,0,0,0,0|1,0,2]=4 6411 B14R0.394 C#CCCCCCCCOCCC(=O)N 34a_100000054614_100000731001 [0,1,0,0,0,0|1,0,2]=4 6412 B14R0.394 C#CCCCCCCCOCCC(=O)N 34a_100000757172_100153394163 [0,1,0,0,0,0|1,0,2]=4 6413 B14R0.394 C#CCCCCCCCOCCC(=O)N 7a_100000054614_100000744528 [0,1,0,0,0,0|1,0,2]=4 6414 B14R0.394 C#CCCCCCCCOCCC(=O)N 7a_100000757172_100153394163 [0,1,0,0,0,0|1,0,2]=4 6415 B14R0.394 C#CCCCCCCCOCCC(C)Br 34a_100009893172_100153394163 [0,1,0,0,0,0|2,0,1]=4 6416 B14R0.394 C#CCCCCCCCOCCC(C)C 34a_100000054614_100000210312 [0,1,0,0,0,0|2,0,1]=4 6417 B14R0.394 C#CCCCCCCCOCCC(C)C 34a_100000210254_100153394163 [0,1,0,0,0,0|2,0,1]=4 6418 B14R0.394 C#CCCCCCCCOCCC(C)C 7a_100000054614_100000210626 [0,1,0,0,0,0|2,0,1]=4 6419 B14R0.394 C#CCCCCCCCOCCC(C)C 7a_100000210254_100153394163 [0,1,0,0,0,0|2,0,1]=4 6420 B14R0.394 C#CCCCCCCCOCCC(C)O 34a_100000054614_100012276601 [0,1,0,0,0,0|2,0,1]=4 6421 B14R0.394 C#CCCCCCCCOCCC(C)O 7a_100000054614_100012276601 [0,1,0,0,0,0|2,0,1]=4 6422 B14R0.394 C#CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100153394163 [0,1,0,0,0,0|2,0,1]=4 6423 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100000053229_100153394163 [0,1,0,0,0,0|1,0,2]=4 6424 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100153394163_100000053229 [0,1,0,0,0,0|1,0,2]=4 6425 B14R0.394 C#CCCCCCCCSCCC(=O)N 62a_100000744528_100153394163 [0,1,0,0,0,0|1,0,2]=4 6426 B14R0.394 C#CCCCCCCCSCCC(=O)N 62a_100153394163_100000744528 [0,1,0,0,0,0|1,0,2]=4 6427 B14R0.394 C#CCCCCCCCSCCC(C)C 62a_100000210312_100153394163 [0,1,0,0,0,0|2,0,1]=4 6428 B14R0.394 C#CCCCCCCCSCCC(C)C 62a_100153394163_100000210312 [0,1,0,0,0,0|2,0,1]=4 6429 B14R0.394 C#CCCCCCCCSCCC(C)O 62a_100012276601_100153394163 [0,1,0,0,0,0|2,0,1]=4 6430 B14R0.394 C#CCCCCCCCSCCC(C)O 62a_100153394163_100012276601 [0,1,0,0,0,0|2,0,1]=4 6431 B14R0.394 C#CCCCCCCNCCCC(=O)N 34a_100000739312_100012276617 [0,1,0,0,0,0|1,0,2]=4 6432 B14R0.394 C#CCCCCCCNCCCC(C)C 2230a_200000737386_100012276617 [0,1,0,0,0,0|2,0,1]=4 6433 B14R0.394 C#CCCCCCCNCCCC(C)C 34a_200000737386_100012276617 [0,1,0,0,0,0|2,0,1]=4 6434 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100000759063_100012276617 [0,1,0,0,0,0|1,0,2]=4 6435 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100011217361_100000685027 [0,1,0,0,0,0|1,0,2]=4 6436 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100000759063_100012276617 [0,1,0,0,0,0|1,0,2]=4 6437 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100011217361_100011215641 [0,1,0,0,0,0|1,0,2]=4 6438 B14R0.394 C#CCCCCCCOCCCC(=O)N 34a_100011217361_100102525003 [0,1,0,0,0,0|1,0,2]=4 6439 B14R0.394 C#CCCCCCCOCCCC(=O)N 7a_100011217361_100102525003 [0,1,0,0,0,0|1,0,2]=4 6440 B14R0.394 C#CCCCCCCOCCCC(C)C 34a_100000210774_100012276617 [0,1,0,0,0,0|2,0,1]=4 6441 B14R0.394 C#CCCCCCCOCCCC(C)C 34a_100011217361_100011214892 [0,1,0,0,0,0|2,0,1]=4 6442 B14R0.394 C#CCCCCCCOCCCC(C)C 7a_100000210774_100012276617 [0,1,0,0,0,0|2,0,1]=4 6443 B14R0.394 C#CCCCCCCOCCCC(C)C 7a_100011217361_100011214892 [0,1,0,0,0,0|2,0,1]=4 6444 B14R0.394 C#CCCCCCCOCCCC(C)O 34a_100011217361_200000718107 [0,1,0,0,0,0|2,0,1]=4 6445 B14R0.394 C#CCCCCCCOCCCC(C)O 7a_100011217361_200000718107 [0,1,0,0,0,0|2,0,1]=4 6446 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100011215641_100012276617 [0,1,0,0,0,0|1,0,2]=4 6447 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100012276617_100011215641 [0,1,0,0,0,0|1,0,2]=4 6448 B14R0.394 C#CCCCCCCSCCCC(=O)N 62a_100012276617_100102525003 [0,1,0,0,0,0|1,0,2]=4 6449 B14R0.394 C#CCCCCCCSCCCC(=O)N 62a_100102525003_100012276617 [0,1,0,0,0,0|1,0,2]=4 6450 B14R0.394 C#CCCCCCCSCCCC(C)C 62a_100011214892_100012276617 [0,1,0,0,0,0|2,0,1]=4 6451 B14R0.394 C#CCCCCCCSCCCC(C)C 62a_100012276617_100011214892 [0,1,0,0,0,0|2,0,1]=4 6452 B14R0.394 C#CCCCCCCSCCCC(C)O 62a_100012276617_200000718107 [0,1,0,0,0,0|2,0,1]=4 6453 B14R0.394 C#CCCCCCCSCCCC(C)O 62a_200000718107_100012276617 [0,1,0,0,0,0|2,0,1]=4 6454 B14R0.394 C#CCCCCCNCCCCC(=O)N 34a_100000696515_100012094781 [0,1,0,0,0,0|1,0,2]=4 6455 B14R0.394 C#CCCCCCOCCCCC(=O)C 34a_100000766912_100009817362 [0,1,0,0,0,0|1,0,2]=4 6456 B14R0.394 C#CCCCCCOCCCCC(=O)C 7a_100000766912_100000735457 [0,1,0,0,0,0|1,0,2]=4 6457 B14R0.394 C#CCCCCCOCCCCC(=O)N 34a_100012022536_100012094781 [0,1,0,0,0,0|1,0,2]=4 6458 B14R0.394 C#CCCCCCOCCCCC(=O)N 7a_100012022536_100012094781 [0,1,0,0,0,0|1,0,2]=4 6459 B14R0.394 C#CCCCCCOCCCCC(C)C 34a_100000766912_100011216152 [0,1,0,0,0,0|2,0,1]=4 6460 B14R0.394 C#CCCCCCOCCCCC(C)C 34a_100011214890_100012094781 [0,1,0,0,0,0|2,0,1]=4 6461 B14R0.394 C#CCCCCCOCCCCC(C)C 7a_100000766912_100011216152 [0,1,0,0,0,0|2,0,1]=4 6462 B14R0.394 C#CCCCCCOCCCCC(C)C 7a_100011214890_100012094781 [0,1,0,0,0,0|2,0,1]=4 6463 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100000735457_100012094781 [0,1,0,0,0,0|1,0,2]=4 6464 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100012094781_100000735457 [0,1,0,0,0,0|1,0,2]=4 6465 B14R0.394 C#CCCCCCSCCCCC(C)C 62a_100011216152_100012094781 [0,1,0,0,0,0|2,0,1]=4 6466 B14R0.394 C#CCCCCCSCCCCC(C)C 62a_100012094781_100011216152 [0,1,0,0,0,0|2,0,1]=4 6467 B14R0.394 C#CCCCCNCCCCCC(=O)N 2230a_100000706060_100009817443 [0,1,0,0,0,0|1,0,2]=4 6468 B14R0.394 C#CCCCCNCCCCCC(=O)N 34a_100000706060_100009817443 [0,1,0,0,0,0|1,0,2]=4 6469 B14R0.394 C#CCCCCNCCCCCC(C)C 2230a_100000706060_100000210682 [0,1,0,0,0,0|2,0,1]=4 6470 B14R0.394 C#CCCCCNCCCCCC(C)C 2230a_100011290863_100010269958 [0,1,0,0,0,0|2,0,1]=4 6471 B14R0.394 C#CCCCCNCCCCCC(C)C 34a_100000706060_100000210682 [0,1,0,0,0,0|2,0,1]=4 6472 B14R0.394 C#CCCCCNCCCCCC(C)C 34a_100011290863_100010269958 [0,1,0,0,0,0|2,0,1]=4 6473 B14R0.394 C#CCCCCOCCCCCC(=O)N 34a_100000123541_100010269958 [0,1,0,0,0,0|1,0,2]=4 6474 B14R0.394 C#CCCCCOCCCCCC(=O)N 34a_100000766709_100009817443 [0,1,0,0,0,0|1,0,2]=4 6475 B14R0.394 C#CCCCCOCCCCCC(=O)N 7a_100000123541_100010269958 [0,1,0,0,0,0|1,0,2]=4 6476 B14R0.394 C#CCCCCOCCCCCC(=O)N 7a_100000766709_100009817443 [0,1,0,0,0,0|1,0,2]=4 6477 B14R0.394 C#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100010269958 [0,1,0,0,0,0|1,0,2]=4 6478 B14R0.394 C#CCCCCOCCCCCC(C)C 34a_100000766709_100000210682 [0,1,0,0,0,0|2,0,1]=4 6479 B14R0.394 C#CCCCCOCCCCCC(C)C 34a_100011995859_100010269958 [0,1,0,0,0,0|2,0,1]=4 6480 B14R0.394 C#CCCCCOCCCCCC(C)C 7a_100000766709_100000210682 [0,1,0,0,0,0|2,0,1]=4 6481 B14R0.394 C#CCCCCOCCCCCC(C)C 7a_100011995859_100010269958 [0,1,0,0,0,0|2,0,1]=4 6482 B14R0.394 C#CCCCCSCCCCCC(=O)N 62a_100009817443_100010269958 [0,1,0,0,0,0|1,0,2]=4 6483 B14R0.394 C#CCCCCSCCCCCC(=O)N 62a_100010269958_100009817443 [0,1,0,0,0,0|1,0,2]=4 6484 B14R0.394 C#CCCCCSCCCCCC(C)C 62a_100000210682_100010269958 [0,1,0,0,0,0|2,0,1]=4 6485 B14R0.394 C#CCCCCSCCCCCC(C)C 62a_100010269958_100000210682 [0,1,0,0,0,0|2,0,1]=4 6486 B14R0.394 C#CCCCNCCCCCCC(C)C 2230a_100000211014_100000731252 [0,1,0,0,0,0|2,0,1]=4 6487 B14R0.394 C#CCCCNCCCCCCC(C)C 34a_100000211014_100000695029 [0,1,0,0,0,0|2,0,1]=4 6488 B14R0.394 C#CCCOCCCCCCCC(C)C 34a_200000210741_100000688953 [0,1,0,0,0,0|2,0,1]=4 6489 B14R0.394 C#CCCOCCCCCCCC(C)C 7a_200000210741_100000688953 [0,1,0,0,0,0|2,0,1]=4 6490 B14R0.394 C/C=C/COCCCCCCCC(C)C 34a_200000210741_100102629194 [0,1,0,0,0,0|2,0,1]=4 6491 B14R0.394 C/C=C/COCCCCCCCC(C)C 7a_200000210741_100102629194 [0,1,0,0,0,0|2,0,1]=4 6492 B14R0.394 C=C(Br)CCOCCCCCCCCC 34a_100009813270_100011214924 [0,1,0,0,0,0|2,0,0]=3 6493 B14R0.394 C=C(Br)CCOCCCCCCCCO 34a_100009813270_100000033203 [0,1,0,0,0,0|3,0,0]=4 6494 B14R0.394 C=C(C)CCNCCCCCCCCC 2230a_100000212291_100000730704 [0,1,0,0,0,0|2,0,0]=3 6495 B14R0.394 C=C(C)CCNCCCCCCCCC 34a_100000212291_100000730704 [0,1,0,0,0,0|2,0,0]=3 6496 B14R0.394 C=C(C)CCNCCCCCCCCO 2230a_102515433106_100000730704 [0,1,0,0,0,0|3,0,0]=4 6497 B14R0.394 C=C(C)CCNCCCCCCCCO 34a_102515433106_100000730704 [0,1,0,0,0,0|3,0,0]=4 6498 B14R0.394 C=C(C)CCOCCCCCCCCBr 34a_100009813846_100000730704 [0,1,0,0,0,0|3,0,0]=4 6499 B14R0.394 C=C(C)CCOCCCCCCCCBr 7a_100009813846_100000730704 [0,1,0,0,0,0|3,0,0]=4 6500 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000210712_100000730704 [0,1,0,0,0,0|2,0,0]=3 6501 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000764851_100011214924 [0,1,0,0,0,0|2,0,0]=3 6502 B14R0.394 C=C(C)CCOCCCCCCCCC 7a_100000210712_100000730704 [0,1,0,0,0,0|2,0,0]=3 6503 B14R0.394 C=C(C)CCOCCCCCCCCCl 34a_100000033203_100000730704 [0,1,0,0,0,0|3,0,0]=4 6504 B14R0.394 C=C(C)CCOCCCCCCCCCl 7a_100000033203_100000730704 [0,1,0,0,0,0|3,0,0]=4 6505 B14R0.394 C=C(C)CCOCCCCCCCCN 34a_102515433106_100000730704 [0,1,0,0,0,0|3,0,0]=4 6506 B14R0.394 C=C(C)CCOCCCCCCCCO 34a_100000764851_100000033203 [0,1,0,0,0,0|3,0,0]=4 6507 B14R0.394 C=C(C)CCOCCCCNCCCC 34a_200011216965_100000730704 [0,1,0,0,0,0|3,0,0]=4 6508 B14R0.394 C=C(C)CCOCCCCOCCCC 34a_200000760531_100000730704 [0,1,0,0,0,0|3,0,0]=4 6509 B14R0.394 C=C(C)CCOCCCCOCCCC 7a_200000760531_100000730704 [0,1,0,0,0,0|3,0,0]=4 6510 B14R0.394 C=C(C)CCOCCOCCCCCC 34a_100000691444_100000730704 [0,1,0,0,0,0|3,0,0]=4 6511 B14R0.394 C=C(C)CCOCCOCCCCCC 7a_100000691444_100000730704 [0,1,0,0,0,0|3,0,0]=4 6512 B14R0.394 C=C(C)CCSCCCCCCCCC 62a_100000730704_100000210670 [0,1,0,0,0,0|2,0,0]=3 6513 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000033203_100000730704 [0,1,0,0,0,0|3,0,0]=4 6514 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000730704_100000033203 [0,1,0,0,0,0|3,0,0]=4 6515 B14R0.394 C=C(C)CNCCCCCCCCCC 2230a_100000684558_100000748629 [0,1,0,0,0,0|2,0,0]=3 6516 B14R0.394 C=C(C)CNCCCCCCCCCC 34a_100000684558_100000748629 [0,1,0,0,0,0|2,0,0]=3 6517 B14R0.394 C=C(C)CNCCCCCCCCCO 2230a_100000078944_100000748629 [0,1,0,0,0,0|3,0,0]=4 6518 B14R0.394 C=C(C)CNCCCCCCCCCO 34a_100000078944_100000748629 [0,1,0,0,0,0|3,0,0]=4 6519 B14R0.394 C=C(C)COCCCCCCCCCBr 34a_100009813782_100000748629 [0,1,0,0,0,0|3,0,0]=4 6520 B14R0.394 C=C(C)COCCCCCCCCCBr 7a_100009813782_100000748629 [0,1,0,0,0,0|3,0,0]=4 6521 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210245_100000210320 [0,1,0,0,0,0|2,0,0]=3 6522 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210711_100000748629 [0,1,0,0,0,0|2,0,0]=3 6523 B14R0.394 C=C(C)COCCCCCCCCCC 7a_100000210711_100000748629 [0,1,0,0,0,0|2,0,0]=3 6524 B14R0.394 C=C(C)COCCCCCCCCCCl 34a_100009868337_100000748629 [0,1,0,0,0,0|3,0,0]=4 6525 B14R0.394 C=C(C)COCCCCCCCCCCl 7a_100009868337_100000748629 [0,1,0,0,0,0|3,0,0]=4 6526 B14R0.394 C=C(C)COCCCCCCCCCN 34a_100000078944_100000748629 [0,1,0,0,0,0|3,0,0]=4 6527 B14R0.394 C=C(C)COCCCCCCCCCO 34a_100000210245_100009813782 [0,1,0,0,0,0|3,0,0]=4 6528 B14R0.394 C=C(C)CSCCCCCCCCCC 62a_100000748629_100000210320 [0,1,0,0,0,0|2,0,0]=3 6529 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100000748629_100009813782 [0,1,0,0,0,0|3,0,0]=4 6530 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100009813782_100000211660 [0,1,0,0,0,0|3,0,0]=4 6531 B14R0.394 C=C(F)CNCCCCCCCCCC 2230a_100000684558_100009893438 [0,1,0,0,0,0|2,0,0]=3 6532 B14R0.394 C=C(F)CNCCCCCCCCCC 34a_100000684558_100009893438 [0,1,0,0,0,0|2,0,0]=3 6533 B14R0.394 C=C(F)CNCCCCCCCCCO 2230a_100000078944_100009893438 [0,1,0,0,0,0|3,0,0]=4 6534 B14R0.394 C=C(F)CNCCCCCCCCCO 34a_100000078944_100009893438 [0,1,0,0,0,0|3,0,0]=4 6535 B14R0.394 C=C(F)COCCCCCCCCCBr 34a_100009813782_100009893438 [0,1,0,0,0,0|3,0,0]=4 6536 B14R0.394 C=C(F)COCCCCCCCCCBr 7a_100009813782_100000042424 [0,1,0,0,0,0|3,0,0]=4 6537 B14R0.394 C=C(F)COCCCCCCCCCC 34a_100000210711_100009893438 [0,1,0,0,0,0|2,0,0]=3 6538 B14R0.394 C=C(F)COCCCCCCCCCC 34a_200010262243_100000210320 [0,1,0,0,0,0|2,0,0]=3 6539 B14R0.394 C=C(F)COCCCCCCCCCC 7a_100000210711_100000042424 [0,1,0,0,0,0|2,0,0]=3 6540 B14R0.394 C=C(F)COCCCCCCCCCCl 34a_100009868337_100009893438 [0,1,0,0,0,0|3,0,0]=4 6541 B14R0.394 C=C(F)COCCCCCCCCCCl 7a_100009868337_100000042424 [0,1,0,0,0,0|3,0,0]=4 6542 B14R0.394 C=C(F)COCCCCCCCCCN 34a_100000078944_100009893438 [0,1,0,0,0,0|3,0,0]=4 6543 B14R0.394 C=C(F)COCCCCCCCCCO 34a_200010262243_100009813782 [0,1,0,0,0,0|3,0,0]=4 6544 B14R0.394 C=C(F)CSCCCCCCCCCC 62a_100000042424_100000210320 [0,1,0,0,0,0|2,0,0]=3 6545 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100000042424_100009813782 [0,1,0,0,0,0|3,0,0]=4 6546 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100009813782_100000042424 [0,1,0,0,0,0|3,0,0]=4 6547 B14R0.394 C=CCCCCCCCCCCC(=O)C 1458a_100000070787_100011093070 [0,1,0,0,0,0|0,0,2]=3 6548 B14R0.394 C=CCCCCCCCCCCN(C)C 2230a_100102631434_100011093070 [0,1,0,0,0,0|2,0,0]=3 6549 B14R0.394 C=CCCCCCCCCCCN(C)C 269982a_100102631434_100011093070 [0,1,0,0,0,0|2,0,0]=3 6550 B14R0.394 C=CCCCCCCCCCNC(=O)C 11a_100000081888_100015343762 [0,1,0,0,0,0|1,0,2]=4 6551 B14R0.394 C=CCCCCCCCCCNC(=O)C 1626a_100000081888_100015343762 [0,1,0,0,0,0|1,0,2]=4 6552 B14R0.394 C=CCCCCCCCCCNC(=O)C 240690a_100000081888_100015343762 [0,1,0,0,0,0|1,0,2]=4 6553 B14R0.394 C=CCCCCCCCCCNC(=O)C 527a_100000081888_100103153847 [0,1,0,0,0,0|1,0,2]=4 6554 B14R0.394 C=CCCCCCCCCCNC(C)C 2230a_100000081888_100000210206 [0,1,0,0,0,0|2,0,0]=3 6555 B14R0.394 C=CCCCCCCCCCNC(C)C 2230a_100138425928_100009814027 [0,1,0,0,0,0|2,0,0]=3 6556 B14R0.394 C=CCCCCCCCCCNC(C)C 34a_100000081888_100000210206 [0,1,0,0,0,0|2,0,0]=3 6557 B14R0.394 C=CCCCCCCCCCNC(C)C 34a_100138425928_100009814027 [0,1,0,0,0,0|2,0,0]=3 6558 B14R0.394 C=CCCCCCCCCCOC(C)C 34a_100000038209_100000210206 [0,1,0,0,0,0|2,0,0]=3 6559 B14R0.394 C=CCCCCCCCCCOC(C)C 34a_100000212225_100009814027 [0,1,0,0,0,0|2,0,0]=3 6560 B14R0.394 C=CCCCCCCCCCOC(C)C 7a_100000038209_100000210206 [0,1,0,0,0,0|2,0,0]=3 6561 B14R0.394 C=CCCCCCCCCCSC(C)C 62a_100000210206_100009814027 [0,1,0,0,0,0|2,0,0]=3 6562 B14R0.394 C=CCCCCCCCCCSC(C)C 62a_100009814027_100000210206 [0,1,0,0,0,0|2,0,0]=3 6563 B14R0.394 C=CCCCCCCCCNCC(=O)N 2230a_100000711301_100011933949 [0,1,0,0,0,0|1,0,2]=4 6564 B14R0.394 C=CCCCCCCCCNCC(=O)O 269956a_100016091260_100011933949 [0,1,0,0,0,0|1,0,2]=4 6565 B14R0.394 C=CCCCCCCCCNCC(C)C 2230a_100000210953_100011933949 [0,1,0,0,0,0|2,0,0]=3 6566 B14R0.394 C=CCCCCCCCCNCC(C)C 34a_100000210953_100011933949 [0,1,0,0,0,0|2,0,0]=3 6567 B14R0.394 C=CCCCCCCCCNCC(C)O 2230a_100000210904_100011933949 [0,1,0,0,0,0|2,0,0]=3 6568 B14R0.394 C=CCCCCCCCCNCC(C)O 34a_100000210904_100011933949 [0,1,0,0,0,0|2,0,0]=3 6569 B14R0.394 C=CCCCCCCCCNCC(F)F 34a_100000765723_100011933949 [0,1,0,0,0,0|3,0,0]=4 6570 B14R0.394 C=CCCCCCCCCOCC(=C)C 34a_100000210245_100011933949 [0,1,0,0,0,0|2,0,1]=4 6571 B14R0.394 C=CCCCCCCCCOCC(=C)C 34a_100011215194_100000748629 [0,1,0,0,0,0|2,0,1]=4 6572 B14R0.394 C=CCCCCCCCCOCC(=C)C 7a_100011215194_100000748629 [0,1,0,0,0,0|2,0,1]=4 6573 B14R0.394 C=CCCCCCCCCOCC(=O)C 34a_100000211253_100011933949 [0,1,0,0,0,0|1,0,2]=4 6574 B14R0.394 C=CCCCCCCCCOCC(=O)N 34a_100011215194_100000187820 [0,1,0,0,0,0|1,0,2]=4 6575 B14R0.394 C=CCCCCCCCCOCC(=O)N 7a_100011215194_100000187820 [0,1,0,0,0,0|1,0,2]=4 6576 B14R0.394 C=CCCCCCCCCOCC(=O)[O-] 34a_100011215194_100020667443 [0,1,0,0,0,0|1,0,2]=4 6577 B14R0.394 C=CCCCCCCCCOCC(C)Br 34a_100012180447_100011933949 [0,1,0,0,0,0|2,0,0]=3 6578 B14R0.394 C=CCCCCCCCCOCC(C)C 34a_100000210257_100011933949 [0,1,0,0,0,0|2,0,0]=3 6579 B14R0.394 C=CCCCCCCCCOCC(C)C 34a_100011215194_100000210624 [0,1,0,0,0,0|2,0,0]=3 6580 B14R0.394 C=CCCCCCCCCOCC(C)C 7a_100011215194_100000210760 [0,1,0,0,0,0|2,0,0]=3 6581 B14R0.394 C=CCCCCCCCCOCC(C)F 34a_100015925927_100011933949 [0,1,0,0,0,0|2,0,0]=3 6582 B14R0.394 C=CCCCCCCCCOCC(C)O 34a_100011215194_100011218427 [0,1,0,0,0,0|2,0,0]=3 6583 B14R0.394 C=CCCCCCCCCOCC(C)O 7a_100011215194_100011218427 [0,1,0,0,0,0|2,0,0]=3 6584 B14R0.394 C=CCCCCCCCCOCC(F)F 34a_100000743014_100011933949 [0,1,0,0,0,0|3,0,0]=4 6585 B14R0.394 C=CCCCCCCCCOCC(F)F 34a_100011215194_100011934356 [0,1,0,0,0,0|3,0,0]=4 6586 B14R0.394 C=CCCCCCCCCOCC(F)F 7a_100011215194_100011934356 [0,1,0,0,0,0|3,0,0]=4 6587 B14R0.394 C=CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011933949 [0,1,0,0,0,0|2,0,0]=3 6588 B14R0.394 C=CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011933949 [0,1,0,0,0,0|2,0,0]=3 6589 B14R0.394 C=CCCCCCCCCOC[C@@H](C)O 34a_100011215194_100009817552 [0,1,0,0,0,0|2,0,0]=3 6590 B14R0.394 C=CCCCCCCCCOC[C@@H](C)O 7a_100011215194_100009817552 [0,1,0,0,0,0|2,0,0]=3 6591 B14R0.394 C=CCCCCCCCCSCC(=C)C 62a_100000748629_100011933949 [0,1,0,0,0,0|2,0,1]=4 6592 B14R0.394 C=CCCCCCCCCSCC(=C)C 62a_100011933949_100000211660 [0,1,0,0,0,0|2,0,1]=4 6593 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100000747473_100011933949 [0,1,0,0,0,0|1,0,2]=4 6594 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100011933949_100000747473 [0,1,0,0,0,0|1,0,2]=4 6595 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100011933949_100020667443 [0,1,0,0,0,0|1,0,2]=4 6596 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011933949 [0,1,0,0,0,0|1,0,2]=4 6597 B14R0.394 C=CCCCCCCCCSCC(C)C 62a_100000210624_100011933949 [0,1,0,0,0,0|2,0,0]=3 6598 B14R0.394 C=CCCCCCCCCSCC(C)C 62a_100011933949_100000210760 [0,1,0,0,0,0|2,0,0]=3 6599 B14R0.394 C=CCCCCCCCCSCC(C)O 62a_100011218427_100011933949 [0,1,0,0,0,0|2,0,0]=3 6600 B14R0.394 C=CCCCCCCCCSCC(C)O 62a_100011933949_100011218427 [0,1,0,0,0,0|2,0,0]=3 6601 B14R0.394 C=CCCCCCCCCSCC(F)F 62a_100011933949_100011934356 [0,1,0,0,0,0|3,0,0]=4 6602 B14R0.394 C=CCCCCCCCCSCC(F)F 62a_100011934356_100011933949 [0,1,0,0,0,0|3,0,0]=4 6603 B14R0.394 C=CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011933949 [0,1,0,0,0,0|2,0,0]=3 6604 B14R0.394 C=CCCCCCCCCSC[C@@H](C)O 62a_100011933949_100009817552 [0,1,0,0,0,0|2,0,0]=3 6605 B14R0.394 C=CCCCCCCCNCCC(C)O 2230a_200000755665_100012355270 [0,1,0,0,0,0|2,0,0]=3 6606 B14R0.394 C=CCCCCCCCOCCC(=C)C 34a_100000730831_100000730704 [0,1,0,0,0,0|2,0,1]=4 6607 B14R0.394 C=CCCCCCCCOCCC(=C)C 34a_100000764851_100012355270 [0,1,0,0,0,0|2,0,1]=4 6608 B14R0.394 C=CCCCCCCCOCCC(=C)C 7a_100000730831_100000730704 [0,1,0,0,0,0|2,0,1]=4 6609 B14R0.394 C=CCCCCCCCOCCC(=O)C 34a_100000759926_100012355270 [0,1,0,0,0,0|1,0,2]=4 6610 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000730831_100000053229 [0,1,0,0,0,0|1,0,2]=4 6611 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000759926_100012355270 [0,1,0,0,0,0|1,0,2]=4 6612 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000730831_100000731001 [0,1,0,0,0,0|1,0,2]=4 6613 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000757172_100012355270 [0,1,0,0,0,0|1,0,2]=4 6614 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000730831_100000744528 [0,1,0,0,0,0|1,0,2]=4 6615 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000757172_100012355270 [0,1,0,0,0,0|1,0,2]=4 6616 B14R0.394 C=CCCCCCCCOCCC(C)Br 34a_100009893172_100012355270 [0,1,0,0,0,0|2,0,0]=3 6617 B14R0.394 C=CCCCCCCCOCCC(C)C 34a_100000210254_100012355270 [0,1,0,0,0,0|2,0,0]=3 6618 B14R0.394 C=CCCCCCCCOCCC(C)C 34a_100000730831_100000210312 [0,1,0,0,0,0|2,0,0]=3 6619 B14R0.394 C=CCCCCCCCOCCC(C)C 7a_100000210254_100012355270 [0,1,0,0,0,0|2,0,0]=3 6620 B14R0.394 C=CCCCCCCCOCCC(C)C 7a_100000730831_100000210626 [0,1,0,0,0,0|2,0,0]=3 6621 B14R0.394 C=CCCCCCCCOCCC(C)O 34a_100000730831_100012276601 [0,1,0,0,0,0|2,0,0]=3 6622 B14R0.394 C=CCCCCCCCOCCC(C)O 7a_100000730831_100012276601 [0,1,0,0,0,0|2,0,0]=3 6623 B14R0.394 C=CCCCCCCCOCCC(F)F 34a_100103093639_100012355270 [0,1,0,0,0,0|3,0,0]=4 6624 B14R0.394 C=CCCCCCCCOCCN(C)C 7a_100000730831_100000755713 [0,1,0,0,0,0|3,0,0]=4 6625 B14R0.394 C=CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100012355270 [0,1,0,0,0,0|2,0,0]=3 6626 B14R0.394 C=CCCCCCCCOCOC(C)C 34a_100000730831_100000709892 [0,1,0,0,0,0|3,0,0]=4 6627 B14R0.394 C=CCCCCCCCSCCC(=C)C 62a_100000730704_100012355270 [0,1,0,0,0,0|2,0,1]=4 6628 B14R0.394 C=CCCCCCCCSCCC(=C)C 62a_100012355270_100000730704 [0,1,0,0,0,0|2,0,1]=4 6629 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100000053229_100012355270 [0,1,0,0,0,0|1,0,2]=4 6630 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100012355270_100000053229 [0,1,0,0,0,0|1,0,2]=4 6631 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100000744528_100012355270 [0,1,0,0,0,0|1,0,2]=4 6632 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100012355270_100000744528 [0,1,0,0,0,0|1,0,2]=4 6633 B14R0.394 C=CCCCCCCCSCCC(C)C 62a_100000210312_100012355270 [0,1,0,0,0,0|2,0,0]=3 6634 B14R0.394 C=CCCCCCCCSCCC(C)C 62a_100012355270_100000210312 [0,1,0,0,0,0|2,0,0]=3 6635 B14R0.394 C=CCCCCCCCSCCC(C)O 62a_100012276601_100012355270 [0,1,0,0,0,0|2,0,0]=3 6636 B14R0.394 C=CCCCCCCCSCCC(C)O 62a_100012355270_100012276601 [0,1,0,0,0,0|2,0,0]=3 6637 B14R0.394 C=CCCCCCCCSCCN(C)C 62a_100012355270_100000755713 [0,1,0,0,0,0|3,0,0]=4 6638 B14R0.394 C=CCCCCCCCSCOC(C)C 62a_100000709892_100012355270 [0,1,0,0,0,0|3,0,0]=4 6639 B14R0.394 C=CCCCCCCCSCOC(C)C 62a_100012355270_100000709892 [0,1,0,0,0,0|3,0,0]=4 6640 B14R0.394 C=CCCCCCCNCCCC(=O)N 34a_100000739312_100011215473 [0,1,0,0,0,0|1,0,2]=4 6641 B14R0.394 C=CCCCCCCNCCCC(C)C 2230a_200000737386_100011215473 [0,1,0,0,0,0|2,0,0]=3 6642 B14R0.394 C=CCCCCCCNCCCC(C)C 34a_200000737386_100011215473 [0,1,0,0,0,0|2,0,0]=3 6643 B14R0.394 C=CCCCCCCNCCCS(=O)C 2230a_200000753449_100011215473 [0,1,0,0,0,0|3,0,0]=4 6644 B14R0.394 C=CCCCCCCNCCOC(C)C 2230a_100000701111_100011215473 [0,1,0,0,0,0|3,0,0]=4 6645 B14R0.394 C=CCCCCCCNCCOC(C)C 34a_100000701111_100011215473 [0,1,0,0,0,0|3,0,0]=4 6646 B14R0.394 C=CCCCCCCNCCSC(C)C 2230a_100000731138_100011215473 [0,1,0,0,0,0|3,0,0]=4 6647 B14R0.394 C=CCCCCCCNCCSC(C)C 34a_100000731138_100011215473 [0,1,0,0,0,0|3,0,0]=4 6648 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_100000759063_100011215473 [0,1,0,0,0,0|1,0,2]=4 6649 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_200011216477_100000685027 [0,1,0,0,0,0|1,0,2]=4 6650 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_100000759063_100011215473 [0,1,0,0,0,0|1,0,2]=4 6651 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_200011216477_100011215641 [0,1,0,0,0,0|1,0,2]=4 6652 B14R0.394 C=CCCCCCCOCCCC(=O)N 34a_200011216477_100102525003 [0,1,0,0,0,0|1,0,2]=4 6653 B14R0.394 C=CCCCCCCOCCCC(=O)N 7a_200011216477_100102525003 [0,1,0,0,0,0|1,0,2]=4 6654 B14R0.394 C=CCCCCCCOCCCC(C)C 34a_100000210774_100011215473 [0,1,0,0,0,0|2,0,0]=3 6655 B14R0.394 C=CCCCCCCOCCCC(C)C 34a_200011216477_100011214892 [0,1,0,0,0,0|2,0,0]=3 6656 B14R0.394 C=CCCCCCCOCCCC(C)C 7a_100000210774_100011215473 [0,1,0,0,0,0|2,0,0]=3 6657 B14R0.394 C=CCCCCCCOCCCC(C)C 7a_200011216477_100011214892 [0,1,0,0,0,0|2,0,0]=3 6658 B14R0.394 C=CCCCCCCOCCCC(C)O 34a_200011216477_200000718107 [0,1,0,0,0,0|2,0,0]=3 6659 B14R0.394 C=CCCCCCCOCCCC(C)O 7a_200011216477_200000718107 [0,1,0,0,0,0|2,0,0]=3 6660 B14R0.394 C=CCCCCCCOCCCN(C)C 7a_200011216477_100000757444 [0,1,0,0,0,0|3,0,0]=4 6661 B14R0.394 C=CCCCCCCOCCNC(C)C 34a_100000224655_100011215473 [0,1,0,0,0,0|3,0,0]=4 6662 B14R0.394 C=CCCCCCCOCCOC(C)C 34a_100000211219_100011215473 [0,1,0,0,0,0|3,0,0]=4 6663 B14R0.394 C=CCCCCCCOCCOC(C)C 34a_200011216477_100000211751 [0,1,0,0,0,0|3,0,0]=4 6664 B14R0.394 C=CCCCCCCOCCOC(C)C 7a_100000211219_100011215473 [0,1,0,0,0,0|3,0,0]=4 6665 B14R0.394 C=CCCCCCCOCCOC(C)C 7a_200011216477_100000211751 [0,1,0,0,0,0|3,0,0]=4 6666 B14R0.394 C=CCCCCCCOCCSC(C)C 34a_200011212901_100011215473 [0,1,0,0,0,0|3,0,0]=4 6667 B14R0.394 C=CCCCCCCOCCSC(C)C 34a_200011216477_100000730970 [0,1,0,0,0,0|3,0,0]=4 6668 B14R0.394 C=CCCCCCCOCCSC(C)C 7a_200011212901_100011215473 [0,1,0,0,0,0|3,0,0]=4 6669 B14R0.394 C=CCCCCCCOCCSC(C)C 7a_200011216477_100000730970 [0,1,0,0,0,0|3,0,0]=4 6670 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215473_100011215641 [0,1,0,0,0,0|1,0,2]=4 6671 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215641_100011215473 [0,1,0,0,0,0|1,0,2]=4 6672 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100011215473_100102525003 [0,1,0,0,0,0|1,0,2]=4 6673 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100102525003_100011215473 [0,1,0,0,0,0|1,0,2]=4 6674 B14R0.394 C=CCCCCCCSCCCC(C)C 62a_100011214892_100011215473 [0,1,0,0,0,0|2,0,0]=3 6675 B14R0.394 C=CCCCCCCSCCCC(C)C 62a_100011215473_100011214892 [0,1,0,0,0,0|2,0,0]=3 6676 B14R0.394 C=CCCCCCCSCCCC(C)O 62a_100011215473_200000718107 [0,1,0,0,0,0|2,0,0]=3 6677 B14R0.394 C=CCCCCCCSCCCC(C)O 62a_200000718107_100011215473 [0,1,0,0,0,0|2,0,0]=3 6678 B14R0.394 C=CCCCCCCSCCCN(C)C 62a_100011215473_100000757444 [0,1,0,0,0,0|3,0,0]=4 6679 B14R0.394 C=CCCCCCCSCCOC(C)C 62a_100000211751_100011215473 [0,1,0,0,0,0|3,0,0]=4 6680 B14R0.394 C=CCCCCCCSCCOC(C)C 62a_100011215473_100000211751 [0,1,0,0,0,0|3,0,0]=4 6681 B14R0.394 C=CCCCCCCSCCSC(C)C 62a_100000730970_100011215473 [0,1,0,0,0,0|3,0,0]=4 6682 B14R0.394 C=CCCCCCCSCCSC(C)C 62a_100011215473_100000730970 [0,1,0,0,0,0|3,0,0]=4 6683 B14R0.394 C=CCCCCCNCCCCC(=O)N 34a_100000696515_100000700193 [0,1,0,0,0,0|1,0,2]=4 6684 B14R0.394 C=CCCCCCNCCCOC(C)C 2230a_100000737246_100000700193 [0,1,0,0,0,0|3,0,0]=4 6685 B14R0.394 C=CCCCCCNCCCOC(C)C 34a_100000737246_100000700193 [0,1,0,0,0,0|3,0,0]=4 6686 B14R0.394 C=CCCCCCOCCCCC(=O)C 34a_100011216702_100009817362 [0,1,0,0,0,0|1,0,2]=4 6687 B14R0.394 C=CCCCCCOCCCCC(=O)C 7a_100011216702_100000735457 [0,1,0,0,0,0|1,0,2]=4 6688 B14R0.394 C=CCCCCCOCCCCC(=O)N 34a_100012022536_100000700193 [0,1,0,0,0,0|1,0,2]=4 6689 B14R0.394 C=CCCCCCOCCCCC(=O)N 7a_100012022536_100000700193 [0,1,0,0,0,0|1,0,2]=4 6690 B14R0.394 C=CCCCCCOCCCCC(C)C 34a_100011214890_100000700193 [0,1,0,0,0,0|2,0,0]=3 6691 B14R0.394 C=CCCCCCOCCCCC(C)C 34a_100011216702_100011216152 [0,1,0,0,0,0|2,0,0]=3 6692 B14R0.394 C=CCCCCCOCCCCC(C)C 7a_100011214890_100000700193 [0,1,0,0,0,0|2,0,0]=3 6693 B14R0.394 C=CCCCCCOCCCCC(C)C 7a_100011216702_100011216152 [0,1,0,0,0,0|2,0,0]=3 6694 B14R0.394 C=CCCCCCOCCCNC(C)C 34a_100000182298_100000700193 [0,1,0,0,0,0|3,0,0]=4 6695 B14R0.394 C=CCCCCCOCCNCC(C)C 34a_100015185251_100000700193 [0,1,0,0,0,0|3,0,0]=4 6696 B14R0.394 C=CCCCCCOCCOCC(C)C 34a_100000703358_100000700193 [0,1,0,0,0,0|3,0,0]=4 6697 B14R0.394 C=CCCCCCOCCOCC(C)C 7a_100000703358_100000700193 [0,1,0,0,0,0|3,0,0]=4 6698 B14R0.394 C=CCCCCCOCCSCC(C)C 34a_200000230437_100000700193 [0,1,0,0,0,0|3,0,0]=4 6699 B14R0.394 C=CCCCCCOCCSCC(C)C 7a_200000230437_100000700193 [0,1,0,0,0,0|3,0,0]=4 6700 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000700193_100000735457 [0,1,0,0,0,0|1,0,2]=4 6701 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000735457_100000700193 [0,1,0,0,0,0|1,0,2]=4 6702 B14R0.394 C=CCCCCCSCCCCC(C)C 62a_100000700193_100011216152 [0,1,0,0,0,0|2,0,0]=3 6703 B14R0.394 C=CCCCCCSCCCCC(C)C 62a_100011216152_100000700193 [0,1,0,0,0,0|2,0,0]=3 6704 B14R0.394 C=CCCCCCSCCCCN(C)C 62a_100000700193_100000690147 [0,1,0,0,0,0|3,0,0]=4 6705 B14R0.394 C=CCCCCNCCCCCC(=O)N 2230a_100000703577_100009817443 [0,1,0,0,0,0|1,0,2]=4 6706 B14R0.394 C=CCCCCNCCCCCC(=O)N 34a_100000703577_100009817443 [0,1,0,0,0,0|1,0,2]=4 6707 B14R0.394 C=CCCCCNCCCCCC(C)C 2230a_100000703577_100000210682 [0,1,0,0,0,0|2,0,0]=3 6708 B14R0.394 C=CCCCCNCCCCCC(C)C 2230a_100011290863_100011215482 [0,1,0,0,0,0|2,0,0]=3 6709 B14R0.394 C=CCCCCNCCCCCC(C)C 34a_100000703577_100000210682 [0,1,0,0,0,0|2,0,0]=3 6710 B14R0.394 C=CCCCCNCCCCCC(C)C 34a_100011290863_100011215482 [0,1,0,0,0,0|2,0,0]=3 6711 B14R0.394 C=CCCCCNCCCOCC(C)C 2230a_100000205972_100011215482 [0,1,0,0,0,0|3,0,0]=4 6712 B14R0.394 C=CCCCCNCCCOCC(C)C 34a_100000205972_100011215482 [0,1,0,0,0,0|3,0,0]=4 6713 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000123541_100011215482 [0,1,0,0,0,0|1,0,2]=4 6714 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000766645_100009817443 [0,1,0,0,0,0|1,0,2]=4 6715 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000123541_100011215482 [0,1,0,0,0,0|1,0,2]=4 6716 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000766645_100009817443 [0,1,0,0,0,0|1,0,2]=4 6717 B14R0.394 C=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215482 [0,1,0,0,0,0|1,0,2]=4 6718 B14R0.394 C=CCCCCOCCCCCC(C)C 34a_100000766645_100000210682 [0,1,0,0,0,0|2,0,0]=3 6719 B14R0.394 C=CCCCCOCCCCCC(C)C 34a_100011995859_100011215482 [0,1,0,0,0,0|2,0,0]=3 6720 B14R0.394 C=CCCCCOCCCCCC(C)C 7a_100000766645_100000210682 [0,1,0,0,0,0|2,0,0]=3 6721 B14R0.394 C=CCCCCOCCCCCC(C)C 7a_100011995859_100011215482 [0,1,0,0,0,0|2,0,0]=3 6722 B14R0.394 C=CCCCCOCCCCNC(C)C 34a_100011521146_100011215482 [0,1,0,0,0,0|3,0,0]=4 6723 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100009817443_100011215482 [0,1,0,0,0,0|1,0,2]=4 6724 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100011215482_100009817443 [0,1,0,0,0,0|1,0,2]=4 6725 B14R0.394 C=CCCCCSCCCCCC(C)C 62a_100000210682_100011215482 [0,1,0,0,0,0|2,0,0]=3 6726 B14R0.394 C=CCCCCSCCCCCC(C)C 62a_100011215482_100000210682 [0,1,0,0,0,0|2,0,0]=3 6727 B14R0.394 C=CCCCNCCCCCCC(C)C 2230a_100000211014_100011713584 [0,1,0,0,0,0|2,0,0]=3 6728 B14R0.394 C=CCCCNCCCCCCC(C)C 34a_100000211014_100000757094 [0,1,0,0,0,0|2,0,0]=3 6729 B14R0.394 C=CCCCOCCCCCNC(C)C 34a_100011629493_100000757094 [0,1,0,0,0,0|3,0,0]=4 6730 B14R0.394 C=CCCOCCCCCCCC(C)C 34a_200000210741_100000754431 [0,1,0,0,0,0|2,0,0]=3 6731 B14R0.394 C=CCCOCCCCCCCC(C)C 7a_200000210741_100000754431 [0,1,0,0,0,0|2,0,0]=3 6732 B14R0.394 C=CCOCCOCCCCCC(C)C 34a_100000037705_100000210682 [0,1,0,0,0,0|3,0,0]=4 6733 B14R0.394 C=CCOCCOCCCCCC(C)C 7a_100000037705_100000210682 [0,1,0,0,0,0|3,0,0]=4 6734 B14R0.394 C=COCCCCOCCCCC(C)C 34a_100000031558_100011216152 [0,1,0,0,0,0|3,0,0]=4 6735 B14R0.394 C=COCCCCOCCCCC(C)C 7a_100000031558_100011216152 [0,1,0,0,0,0|3,0,0]=4 6736 B14R0.394 C=COCCCNCCCCCC(C)C 2230a_100000210767_100000210682 [0,1,0,0,0,0|3,0,0]=4 6737 B14R0.394 C=COCCCNCCCCCC(C)C 34a_100000210767_100000210682 [0,1,0,0,0,0|3,0,0]=4 6738 B14R0.394 C=COCCNCCCCCCC(C)C 2230a_100000211014_100000039644 [0,1,0,0,0,0|3,0,0]=4 6739 B14R0.394 C=COCCNCCCCCCC(C)C 34a_100000211014_100000039644 [0,1,0,0,0,0|3,0,0]=4 6740 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [0,1,0,0,0,0|1,0,0]=2 6741 B14R0.394 CC(=O)CCCCNCCCCCCO 34a_100000686447_100009817362 [0,1,0,0,0,0|2,0,0]=3 6742 B14R0.394 CC(=O)CCCCOCCCCCCBr 34a_100011215345_100009817362 [0,1,0,0,0,0|2,0,0]=3 6743 B14R0.394 CC(=O)CCCCOCCCCCCBr 7a_100011215345_100000735457 [0,1,0,0,0,0|2,0,0]=3 6744 B14R0.394 CC(=O)CCCCOCCCCCCCl 34a_100000766143_100009817362 [0,1,0,0,0,0|2,0,0]=3 6745 B14R0.394 CC(=O)CCCCOCCCCCCCl 7a_100000766143_100000735457 [0,1,0,0,0,0|2,0,0]=3 6746 B14R0.394 CC(=O)CCCCOCCCCCCF 34a_100000732779_100009817362 [0,1,0,0,0,0|2,0,0]=3 6747 B14R0.394 CC(=O)CCCCOCCCCCCF 7a_100000732779_100000735457 [0,1,0,0,0,0|2,0,0]=3 6748 B14R0.394 CC(=O)CCCCOCCCCCCN 34a_100000686447_100009817362 [0,1,0,0,0,0|2,0,0]=3 6749 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100000735457_100009813376 [0,1,0,0,0,0|2,0,1]=4 6750 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100009813376_100000735457 [0,1,0,0,0,0|2,0,1]=4 6751 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000139337_100000735457 [0,1,0,0,0,0|1,0,1]=3 6752 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000735457_100000139337 [0,1,0,0,0,0|1,0,1]=3 6753 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100000735457_100015922095 [0,1,0,0,0,0|2,0,0]=3 6754 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100015922095_100000735457 [0,1,0,0,0,0|2,0,0]=3 6755 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000735457_100000766143 [0,1,0,0,0,0|2,0,0]=3 6756 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000766143_100000735457 [0,1,0,0,0,0|2,0,0]=3 6757 B14R0.394 CC(=O)CCCNCCCCCCCO 34a_100011996573_100000685027 [0,1,0,0,0,0|2,0,0]=3 6758 B14R0.394 CC(=O)CCCNCCCOCCCO 34a_100011310245_100000685027 [0,1,0,0,0,0|3,0,0]=4 6759 B14R0.394 CC(=O)CCCOCCCCCCC#N 7a_100000759063_100009813337 [0,1,0,0,0,0|2,0,1]=4 6760 B14R0.394 CC(=O)CCCOCCCCCCCBr 34a_100000760002_100000685027 [0,1,0,0,0,0|2,0,0]=3 6761 B14R0.394 CC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215641 [0,1,0,0,0,0|2,0,0]=3 6762 B14R0.394 CC(=O)CCCOCCCCCCCN 34a_100011996573_100000685027 [0,1,0,0,0,0|2,0,0]=3 6763 B14R0.394 CC(=O)CCCOCCCCCCCO 34a_100000759063_100000760002 [0,1,0,0,0,0|2,0,0]=3 6764 B14R0.394 CC(=O)CCCOCCCCCCCO 7a_100000759063_100000760002 [0,1,0,0,0,0|2,0,0]=3 6765 B14R0.394 CC(=O)CCCOCCCOCCCN 34a_100011310245_100000685027 [0,1,0,0,0,0|3,0,0]=4 6766 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100009813337_100011215641 [0,1,0,0,0,0|2,0,1]=4 6767 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100011215641_100009813337 [0,1,0,0,0,0|2,0,1]=4 6768 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100000760002_100011215641 [0,1,0,0,0,0|2,0,0]=3 6769 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100011215641_100000760002 [0,1,0,0,0,0|2,0,0]=3 6770 B14R0.394 CC(=O)CCOCCCCCCCCBr 7a_100009813846_100000053229 [0,1,0,0,0,0|2,0,0]=3 6771 B14R0.394 CC(=O)CCOCCCCCCCCCl 7a_100000033203_100000053229 [0,1,0,0,0,0|2,0,0]=3 6772 B14R0.394 CC(=O)CCOCCCCCCCCO 34a_100000759926_100000033203 [0,1,0,0,0,0|2,0,0]=3 6773 B14R0.394 CC(=O)CCOCCCCCCCCO 7a_100000759926_100000033203 [0,1,0,0,0,0|2,0,0]=3 6774 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000033203_100000053229 [0,1,0,0,0,0|2,0,0]=3 6775 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000053229_100000033203 [0,1,0,0,0,0|2,0,0]=3 6776 B14R0.394 CC(=O)COCCCCCCCCCO 34a_100000211253_100009813782 [0,1,0,0,0,0|2,0,0]=3 6777 B14R0.394 CC(=O)NCCCCCCCCCCO 240690a_100000066964_100015343762 [0,1,0,0,0,0|2,0,0]=3 6778 B14R0.394 CC(=O)NCCCCCCNCCCF 2230a_200011996284_100011934791 [0,1,0,0,0,0|3,0,0]=4 6779 B14R0.394 CC(=O)NCCCCCCNCCCF 34a_200011996284_100011934791 [0,1,0,0,0,0|3,0,0]=4 6780 B14R0.394 CC(=O)NCCCCCCNCCCO 2230a_200011996284_100000230001 [0,1,0,0,0,0|3,0,0]=4 6781 B14R0.394 CC(=O)NCCCCCCNCCCO 34a_200011996284_100000230001 [0,1,0,0,0,0|3,0,0]=4 6782 B14R0.394 CC(=O)NCCCCCNCCCC=O 2230a_200012022750_200011292268 [0,1,0,0,0,0|2,0,1]=4 6783 B14R0.394 CC(=O)NCCCCCNCCCCF 2230a_200012022750_100000729493 [0,1,0,0,0,0|3,0,0]=4 6784 B14R0.394 CC(=O)NCCCCCNCCCCF 34a_200012022750_100000729493 [0,1,0,0,0,0|3,0,0]=4 6785 B14R0.394 CC(=O)NCCCCCNCCCCO 2230a_200012022750_100000210776 [0,1,0,0,0,0|3,0,0]=4 6786 B14R0.394 CC(=O)NCCCCCNCCCCO 34a_200012022750_100011216708 [0,1,0,0,0,0|3,0,0]=4 6787 B14R0.394 CC(=O)NCCCCNCCCCC=O 2230a_200011368371_100000139335 [0,1,0,0,0,0|2,0,1]=4 6788 B14R0.394 CC(=O)NCCCCNCCCCCF 2230a_200011368371_100000729378 [0,1,0,0,0,0|3,0,0]=4 6789 B14R0.394 CC(=O)NCCCCNCCCCCF 34a_200011368371_100000729378 [0,1,0,0,0,0|3,0,0]=4 6790 B14R0.394 CC(=O)NCCCCNCCCCCO 2230a_200011368371_100000746330 [0,1,0,0,0,0|3,0,0]=4 6791 B14R0.394 CC(=O)NCCCCNCCCCCO 34a_200011368371_100000746330 [0,1,0,0,0,0|3,0,0]=4 6792 B14R0.394 CC(=O)NCCCNCCCCCCF 34a_100000736810_100015922095 [0,1,0,0,0,0|3,0,0]=4 6793 B14R0.394 CC(=O)NCCCNCCCCCCO 34a_100000736810_100000766143 [0,1,0,0,0,0|3,0,0]=4 6794 B14R0.394 CC(=O)NCCCOCCCCCCF 34a_100000752032_100015922095 [0,1,0,0,0,0|3,0,0]=4 6795 B14R0.394 CC(=O)NCCCOCCCCCCO 34a_100000752032_100000766143 [0,1,0,0,0,0|3,0,0]=4 6796 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100000209853_100000760002 [0,1,0,0,0,0|3,0,0]=4 6797 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100011996573_100000189650 [0,1,0,0,0,0|3,0,0]=4 6798 B14R0.394 CC(=O)NCCOCCCCCCCBr 7a_100000760002_100000189650 [0,1,0,0,0,0|3,0,0]=4 6799 B14R0.394 CC(=O)NCCOCCCCCCCO 34a_100000158858_100000760002 [0,1,0,0,0,0|3,0,0]=4 6800 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000189650_100000760002 [0,1,0,0,0,0|3,0,0]=4 6801 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000760002_100000189650 [0,1,0,0,0,0|3,0,0]=4 6802 B14R0.394 CC(=O)OCCCCCNCCCCO 2230a_100000750430_100009813381 [0,1,0,0,0,0|3,0,0]=4 6803 B14R0.394 CC(=O)OCCCCCNCCCCO 34a_100000750430_100000033007 [0,1,0,0,0,0|3,0,0]=4 6804 B14R0.394 CC(=O)OCCCCCOCCCCBr 34a_100011216708_100000033007 [0,1,0,0,0,0|3,0,0]=4 6805 B14R0.394 CC(=O)OCCCCCOCCCCCl 34a_100000210776_100000033007 [0,1,0,0,0,0|3,0,0]=4 6806 B14R0.394 CC(=O)OCCCCCOCCCCCl 7a_100000210776_100000033007 [0,1,0,0,0,0|3,0,0]=4 6807 B14R0.394 CC(=O)OCCCCCOCCCCF 34a_100011995726_100000033007 [0,1,0,0,0,0|3,0,0]=4 6808 B14R0.394 CC(=O)OCCCCCOCCCCF 7a_100011995726_100000033007 [0,1,0,0,0,0|3,0,0]=4 6809 B14R0.394 CC(=O)OCCCCCOCCCCI 34a_200012148704_100000033007 [0,1,0,0,0,0|3,0,0]=4 6810 B14R0.394 CC(=O)OCCCCCOCCCCN 34a_100000750430_100000033007 [0,1,0,0,0,0|3,0,0]=4 6811 B14R0.394 CC(=O)OCCCCCSCCCC=O 62a_100000033007_200011292268 [0,1,0,0,0,0|2,0,1]=4 6812 B14R0.394 CC(=O)OCCCCCSCCCC=O 62a_200011292268_100000033007 [0,1,0,0,0,0|2,0,1]=4 6813 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000033007_100000729493 [0,1,0,0,0,0|3,0,0]=4 6814 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000729493_100000033007 [0,1,0,0,0,0|3,0,0]=4 6815 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000033007_100000210776 [0,1,0,0,0,0|3,0,0]=4 6816 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000210776_100000033007 [0,1,0,0,0,0|3,0,0]=4 6817 B14R0.394 CC(=O)OCCCCNCCCCCO 34a_100000762737_100000033659 [0,1,0,0,0,0|3,0,0]=4 6818 B14R0.394 CC(=O)OCCCCOCCCCC=O 7a_100000073216_100000139335 [0,1,0,0,0,0|2,0,1]=4 6819 B14R0.394 CC(=O)OCCCCOCCCCCBr 34a_100000746331_100000033659 [0,1,0,0,0,0|3,0,0]=4 6820 B14R0.394 CC(=O)OCCCCOCCCCCBr 7a_100000746331_100000033659 [0,1,0,0,0,0|3,0,0]=4 6821 B14R0.394 CC(=O)OCCCCOCCCCCCl 34a_100000746330_100000033659 [0,1,0,0,0,0|3,0,0]=4 6822 B14R0.394 CC(=O)OCCCCOCCCCCCl 7a_100000746330_100000033659 [0,1,0,0,0,0|3,0,0]=4 6823 B14R0.394 CC(=O)OCCCCOCCCCCF 34a_100000073216_100000729378 [0,1,0,0,0,0|3,0,0]=4 6824 B14R0.394 CC(=O)OCCCCOCCCCCF 7a_100000073216_100000729378 [0,1,0,0,0,0|3,0,0]=4 6825 B14R0.394 CC(=O)OCCCCOCCCCCI 34a_200012148887_100000033659 [0,1,0,0,0,0|3,0,0]=4 6826 B14R0.394 CC(=O)OCCCCOCCCCCI 7a_200012148887_100000033659 [0,1,0,0,0,0|3,0,0]=4 6827 B14R0.394 CC(=O)OCCCCOCCCCCN 34a_100000762737_100000033659 [0,1,0,0,0,0|3,0,0]=4 6828 B14R0.394 CC(=O)OCCCCOCCCCCO 34a_100000073216_100000746330 [0,1,0,0,0,0|3,0,0]=4 6829 B14R0.394 CC(=O)OCCCCOCCCCCO 7a_100000073216_100000746330 [0,1,0,0,0,0|3,0,0]=4 6830 B14R0.394 CC(=O)OCCCCSCCCCC=O 62a_100000033659_100000139335 [0,1,0,0,0,0|2,0,1]=4 6831 B14R0.394 CC(=O)OCCCCSCCCCC=O 62a_100000139335_100000033659 [0,1,0,0,0,0|2,0,1]=4 6832 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000033659_100000729378 [0,1,0,0,0,0|3,0,0]=4 6833 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000729378_100000033659 [0,1,0,0,0,0|3,0,0]=4 6834 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000033659_100000746330 [0,1,0,0,0,0|3,0,0]=4 6835 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000746330_100000033659 [0,1,0,0,0,0|3,0,0]=4 6836 B14R0.394 CC(=O)OCCCNCCCCCCO 34a_100000686447_100000042594 [0,1,0,0,0,0|3,0,0]=4 6837 B14R0.394 CC(=O)OCCCOCCCCCCBr 34a_100011215345_100000042594 [0,1,0,0,0,0|3,0,0]=4 6838 B14R0.394 CC(=O)OCCCOCCCCCCBr 7a_100011215345_100000042594 [0,1,0,0,0,0|3,0,0]=4 6839 B14R0.394 CC(=O)OCCCOCCCCCCCl 34a_100000766143_100000042594 [0,1,0,0,0,0|3,0,0]=4 6840 B14R0.394 CC(=O)OCCCOCCCCCCCl 7a_100000766143_100000042594 [0,1,0,0,0,0|3,0,0]=4 6841 B14R0.394 CC(=O)OCCCOCCCCCCF 34a_100000732779_100000042594 [0,1,0,0,0,0|3,0,0]=4 6842 B14R0.394 CC(=O)OCCCOCCCCCCF 7a_100000732779_100000042594 [0,1,0,0,0,0|3,0,0]=4 6843 B14R0.394 CC(=O)OCCCOCCCCCCN 34a_100000686447_100000042594 [0,1,0,0,0,0|3,0,0]=4 6844 B14R0.394 CC(=O)OCCCSCCCCCC=O 62a_100000042594_100000139337 [0,1,0,0,0,0|2,0,1]=4 6845 B14R0.394 CC(=O)OCCCSCCCCCC=O 62a_100000139337_100000042594 [0,1,0,0,0,0|2,0,1]=4 6846 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100000042594_100015922095 [0,1,0,0,0,0|3,0,0]=4 6847 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100015922095_100000042594 [0,1,0,0,0,0|3,0,0]=4 6848 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000042594_100000766143 [0,1,0,0,0,0|3,0,0]=4 6849 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000766143_100000042594 [0,1,0,0,0,0|3,0,0]=4 6850 B14R0.394 CC(=O)OCCNCCCCCCCO 34a_100011996573_100009814007 [0,1,0,0,0,0|3,0,0]=4 6851 B14R0.394 CC(=O)OCCOCCCCCCCBr 34a_100000760002_100009814007 [0,1,0,0,0,0|3,0,0]=4 6852 B14R0.394 CC(=O)OCCOCCCCCCCBr 7a_100000760002_100009814007 [0,1,0,0,0,0|3,0,0]=4 6853 B14R0.394 CC(=O)OCCOCCCCCCCN 34a_100011996573_100009814007 [0,1,0,0,0,0|3,0,0]=4 6854 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100000760002_100009814007 [0,1,0,0,0,0|3,0,0]=4 6855 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100009814007_100000760002 [0,1,0,0,0,0|3,0,0]=4 6856 B14R0.394 CC(=O)OCNCCCCCCCCO 34a_102515433106_100009813279 [0,1,0,0,0,0|3,0,0]=4 6857 B14R0.394 CC(=O)OCOCCCCCCCCBr 34a_100009813846_100009813279 [0,1,0,0,0,0|3,0,0]=4 6858 B14R0.394 CC(=O)OCOCCCCCCCCCl 34a_100000033203_100009813279 [0,1,0,0,0,0|3,0,0]=4 6859 B14R0.394 CC(=O)OCOCCCCCCCCN 34a_102515433106_100009813279 [0,1,0,0,0,0|3,0,0]=4 6860 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000033203_100000076356 [0,1,0,0,0,0|3,0,0]=4 6861 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000076356_100000033203 [0,1,0,0,0,0|3,0,0]=4 6862 B14R0.394 CC(=O)SCCCCNCCCCCO 2230a_100000762737_200010402107 [0,1,0,0,0,0|3,0,0]=4 6863 B14R0.394 CC(=O)SCCCCNCCCCCO 34a_100000762737_200010402107 [0,1,0,0,0,0|3,0,0]=4 6864 B14R0.394 CC(=O)SCCCCOCCCCCBr 34a_100000746331_200010402107 [0,1,0,0,0,0|3,0,0]=4 6865 B14R0.394 CC(=O)SCCCCOCCCCCBr 7a_100000746331_200010402107 [0,1,0,0,0,0|3,0,0]=4 6866 B14R0.394 CC(=O)SCCCCOCCCCCCl 34a_100000746330_200010402107 [0,1,0,0,0,0|3,0,0]=4 6867 B14R0.394 CC(=O)SCCCCOCCCCCCl 7a_100000746330_200010402107 [0,1,0,0,0,0|3,0,0]=4 6868 B14R0.394 CC(=O)SCCCCOCCCCCI 34a_200012148887_200010402107 [0,1,0,0,0,0|3,0,0]=4 6869 B14R0.394 CC(=O)SCCCCOCCCCCI 7a_200012148887_200010402107 [0,1,0,0,0,0|3,0,0]=4 6870 B14R0.394 CC(=O)SCCCCOCCCCCN 34a_100000762737_200010402107 [0,1,0,0,0,0|3,0,0]=4 6871 B14R0.394 CC(=O)SCCCCSCCCCC=O 62a_100000139335_200010402107 [0,1,0,0,0,0|2,0,1]=4 6872 B14R0.394 CC(=O)SCCCCSCCCCC=O 62a_200010402107_100000139335 [0,1,0,0,0,0|2,0,1]=4 6873 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_100000729378_200010402107 [0,1,0,0,0,0|3,0,0]=4 6874 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_200010402107_100000729378 [0,1,0,0,0,0|3,0,0]=4 6875 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_100000746330_200010402107 [0,1,0,0,0,0|3,0,0]=4 6876 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_200010402107_100000746330 [0,1,0,0,0,0|3,0,0]=4 6877 B14R0.394 CC(=O)SCCCNCCCCCCO 2230a_100000686447_100000038929 [0,1,0,0,0,0|3,0,0]=4 6878 B14R0.394 CC(=O)SCCCNCCCCCCO 34a_100000686447_100000038929 [0,1,0,0,0,0|3,0,0]=4 6879 B14R0.394 CC(=O)SCCCOCCCCCCBr 34a_100011215345_100000038929 [0,1,0,0,0,0|3,0,0]=4 6880 B14R0.394 CC(=O)SCCCOCCCCCCBr 7a_100011215345_100000038929 [0,1,0,0,0,0|3,0,0]=4 6881 B14R0.394 CC(=O)SCCCOCCCCCCCl 34a_100000766143_100000038929 [0,1,0,0,0,0|3,0,0]=4 6882 B14R0.394 CC(=O)SCCCOCCCCCCCl 7a_100000766143_100000038929 [0,1,0,0,0,0|3,0,0]=4 6883 B14R0.394 CC(=O)SCCCOCCCCCCF 34a_100000732779_100000038929 [0,1,0,0,0,0|3,0,0]=4 6884 B14R0.394 CC(=O)SCCCOCCCCCCF 7a_100000732779_100000038929 [0,1,0,0,0,0|3,0,0]=4 6885 B14R0.394 CC(=O)SCCCOCCCCCCN 34a_100000686447_100000038929 [0,1,0,0,0,0|3,0,0]=4 6886 B14R0.394 CC(=O)SCCCSCCCCCC=O 62a_100000038929_100000139337 [0,1,0,0,0,0|2,0,1]=4 6887 B14R0.394 CC(=O)SCCCSCCCCCC=O 62a_100000139337_100000038929 [0,1,0,0,0,0|2,0,1]=4 6888 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100000038929_100015922095 [0,1,0,0,0,0|3,0,0]=4 6889 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100015922095_100000038929 [0,1,0,0,0,0|3,0,0]=4 6890 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000038929_100000766143 [0,1,0,0,0,0|3,0,0]=4 6891 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000766143_100000038929 [0,1,0,0,0,0|3,0,0]=4 6892 B14R0.394 CC(=S)OCCCSCCCCCC=O 62a_100000139337_200135323944 [0,1,0,0,0,0|2,0,1]=4 6893 B14R0.394 CC(=S)OCCCSCCCCCC=O 62a_200135323944_100000139337 [0,1,0,0,0,0|2,0,1]=4 6894 B14R0.394 CC(Br)CCOCCCCCCCCO 34a_100009893172_100000033203 [0,1,0,0,0,0|1,0,2]=4 6895 B14R0.394 CC(Br)COCCCCCCCCCO 34a_100012180447_100009813782 [0,1,0,0,0,0|1,0,2]=4 6896 B14R0.394 CC(C)CCCCCCCOCCC#N 7a_200000210741_100000184422 [0,1,0,0,0,0|2,0,1]=4 6897 B14R0.394 CC(C)CCCCCCCOCCCF 34a_200000210741_100011934791 [0,1,0,0,0,0|2,0,1]=4 6898 B14R0.394 CC(C)CCCCCCCOCCCF 7a_200000210741_100011934791 [0,1,0,0,0,0|2,0,1]=4 6899 B14R0.394 CC(C)CCCCCCCOCCCO 34a_200000210741_100000230001 [0,1,0,0,0,0|1,0,2]=4 6900 B14R0.394 CC(C)CCCCCCCOCCCO 7a_200000210741_100011215043 [0,1,0,0,0,0|1,0,2]=4 6901 B14R0.394 CC(C)CCCCCCNCCCC#N 2230a_100000211014_100000687738 [0,1,0,0,0,0|2,0,1]=4 6902 B14R0.394 CC(C)CCCCCCNCCCC=O 2230a_100000211014_200011292268 [0,1,0,0,0,0|1,0,0]=2 6903 B14R0.394 CC(C)CCCCCCNCCCCF 2230a_100000211014_100000729493 [0,1,0,0,0,0|2,0,1]=4 6904 B14R0.394 CC(C)CCCCCCNCCCCF 34a_100000211014_100000729493 [0,1,0,0,0,0|2,0,1]=4 6905 B14R0.394 CC(C)CCCCCCNCCCCO 2230a_100000211014_100000210776 [0,1,0,0,0,0|1,0,2]=4 6906 B14R0.394 CC(C)CCCCCCNCCCCO 34a_100000211014_100011216708 [0,1,0,0,0,0|1,0,2]=4 6907 B14R0.394 CC(C)CCCCCNCCCCC#N 2230a_100011290863_100000211819 [0,1,0,0,0,0|2,0,1]=4 6908 B14R0.394 CC(C)CCCCCNCCCCC=O 2230a_100011290863_100000139335 [0,1,0,0,0,0|1,0,0]=2 6909 B14R0.394 CC(C)CCCCCNCCCCCF 2230a_100011290863_100000729378 [0,1,0,0,0,0|2,0,1]=4 6910 B14R0.394 CC(C)CCCCCNCCCCCF 34a_100011290863_100000729378 [0,1,0,0,0,0|2,0,1]=4 6911 B14R0.394 CC(C)CCCCCNCCCCCO 2230a_100000762737_100000210682 [0,1,0,0,0,0|1,0,2]=4 6912 B14R0.394 CC(C)CCCCCNCCCCCO 2230a_100011290863_100000746330 [0,1,0,0,0,0|1,0,2]=4 6913 B14R0.394 CC(C)CCCCCNCCCCCO 34a_100000762737_100000210682 [0,1,0,0,0,0|1,0,2]=4 6914 B14R0.394 CC(C)CCCCCNCCCCCO 34a_100011290863_100000746330 [0,1,0,0,0,0|1,0,2]=4 6915 B14R0.394 CC(C)CCCCCOCCCCC#N 7a_100011995859_100000211819 [0,1,0,0,0,0|2,0,1]=4 6916 B14R0.394 CC(C)CCCCCOCCCCC=O 7a_100011995859_100000139335 [0,1,0,0,0,0|1,0,0]=2 6917 B14R0.394 CC(C)CCCCCOCCCCCBr 34a_100000746331_100000210682 [0,1,0,0,0,0|2,0,1]=4 6918 B14R0.394 CC(C)CCCCCOCCCCCBr 7a_100000746331_100000210682 [0,1,0,0,0,0|2,0,1]=4 6919 B14R0.394 CC(C)CCCCCOCCCCCCl 34a_100000746330_100000210682 [0,1,0,0,0,0|2,0,1]=4 6920 B14R0.394 CC(C)CCCCCOCCCCCCl 7a_100000746330_100000210682 [0,1,0,0,0,0|2,0,1]=4 6921 B14R0.394 CC(C)CCCCCOCCCCCF 34a_100011995859_100000729378 [0,1,0,0,0,0|2,0,1]=4 6922 B14R0.394 CC(C)CCCCCOCCCCCF 7a_100011995859_100000729378 [0,1,0,0,0,0|2,0,1]=4 6923 B14R0.394 CC(C)CCCCCOCCCCCI 34a_200012148887_100000210682 [0,1,0,0,0,0|2,0,1]=4 6924 B14R0.394 CC(C)CCCCCOCCCCCI 7a_200012148887_100000210682 [0,1,0,0,0,0|2,0,1]=4 6925 B14R0.394 CC(C)CCCCCOCCCCCN 34a_100000762737_100000210682 [0,1,0,0,0,0|2,0,1]=4 6926 B14R0.394 CC(C)CCCCCOCCCCCO 34a_100011995859_100000746330 [0,1,0,0,0,0|1,0,2]=4 6927 B14R0.394 CC(C)CCCCCOCCCCCO 7a_100011995859_100000746330 [0,1,0,0,0,0|1,0,2]=4 6928 B14R0.394 CC(C)CCCCCSCCCCC#N 62a_100000210682_100000211819 [0,1,0,0,0,0|2,0,1]=4 6929 B14R0.394 CC(C)CCCCCSCCCCC#N 62a_100011219923_100000210682 [0,1,0,0,0,0|2,0,1]=4 6930 B14R0.394 CC(C)CCCCCSCCCCC=O 62a_100000139335_100000210682 [0,1,0,0,0,0|1,0,0]=2 6931 B14R0.394 CC(C)CCCCCSCCCCC=O 62a_100000210682_100000139335 [0,1,0,0,0,0|1,0,0]=2 6932 B14R0.394 CC(C)CCCCCSCCCCCF 62a_100000210682_100000729378 [0,1,0,0,0,0|2,0,1]=4 6933 B14R0.394 CC(C)CCCCCSCCCCCF 62a_100000729378_100000210682 [0,1,0,0,0,0|2,0,1]=4 6934 B14R0.394 CC(C)CCCCCSCCCCCO 62a_100000210682_100000746330 [0,1,0,0,0,0|1,0,2]=4 6935 B14R0.394 CC(C)CCCCCSCCCCCO 62a_100000746330_100000210682 [0,1,0,0,0,0|1,0,2]=4 6936 B14R0.394 CC(C)CCCCNCCCCCCO 2230a_100000686447_100011216152 [0,1,0,0,0,0|1,0,2]=4 6937 B14R0.394 CC(C)CCCCNCCCCCCO 34a_100000686447_100011216152 [0,1,0,0,0,0|1,0,2]=4 6938 B14R0.394 CC(C)CCCCOCCCCCC#N 7a_100011214890_100009813376 [0,1,0,0,0,0|2,0,1]=4 6939 B14R0.394 CC(C)CCCCOCCCCCC=O 7a_100011214890_100000139337 [0,1,0,0,0,0|1,0,0]=2 6940 B14R0.394 CC(C)CCCCOCCCCCCBr 34a_100011215345_100011216152 [0,1,0,0,0,0|2,0,1]=4 6941 B14R0.394 CC(C)CCCCOCCCCCCBr 7a_100011215345_100011216152 [0,1,0,0,0,0|2,0,1]=4 6942 B14R0.394 CC(C)CCCCOCCCCCCCl 34a_100000766143_100011216152 [0,1,0,0,0,0|2,0,1]=4 6943 B14R0.394 CC(C)CCCCOCCCCCCCl 7a_100000766143_100011216152 [0,1,0,0,0,0|2,0,1]=4 6944 B14R0.394 CC(C)CCCCOCCCCCCF 34a_100000732779_100011216152 [0,1,0,0,0,0|2,0,1]=4 6945 B14R0.394 CC(C)CCCCOCCCCCCF 34a_100011214890_100015922095 [0,1,0,0,0,0|2,0,1]=4 6946 B14R0.394 CC(C)CCCCOCCCCCCF 7a_100000732779_100011216152 [0,1,0,0,0,0|2,0,1]=4 6947 B14R0.394 CC(C)CCCCOCCCCCCF 7a_100011214890_100015922095 [0,1,0,0,0,0|2,0,1]=4 6948 B14R0.394 CC(C)CCCCOCCCCCCN 34a_100000686447_100011216152 [0,1,0,0,0,0|2,0,1]=4 6949 B14R0.394 CC(C)CCCCOCCCCCCO 34a_100011214890_100000766143 [0,1,0,0,0,0|1,0,2]=4 6950 B14R0.394 CC(C)CCCCOCCCCCCO 7a_100011214890_100000766143 [0,1,0,0,0,0|1,0,2]=4 6951 B14R0.394 CC(C)CCCCSCCCCCC#N 62a_100009813376_100011216152 [0,1,0,0,0,0|2,0,1]=4 6952 B14R0.394 CC(C)CCCCSCCCCCC#N 62a_100011216152_100009813376 [0,1,0,0,0,0|2,0,1]=4 6953 B14R0.394 CC(C)CCCCSCCCCCC=O 62a_100000139337_100011216152 [0,1,0,0,0,0|1,0,0]=2 6954 B14R0.394 CC(C)CCCCSCCCCCC=O 62a_100011216152_100000139337 [0,1,0,0,0,0|1,0,0]=2 6955 B14R0.394 CC(C)CCCCSCCCCCCF 62a_100011216152_100015922095 [0,1,0,0,0,0|2,0,1]=4 6956 B14R0.394 CC(C)CCCCSCCCCCCF 62a_100015922095_100011216152 [0,1,0,0,0,0|2,0,1]=4 6957 B14R0.394 CC(C)CCCCSCCCCCCO 62a_100000766143_100011216152 [0,1,0,0,0,0|1,0,2]=4 6958 B14R0.394 CC(C)CCCCSCCCCCCO 62a_100011216152_100000766143 [0,1,0,0,0,0|1,0,2]=4 6959 B14R0.394 CC(C)CCCNCCCCCCC#N 2230a_200000737386_100009813337 [0,1,0,0,0,0|2,0,1]=4 6960 B14R0.394 CC(C)CCCNCCCCCCCO 2230a_100011996573_100011214892 [0,1,0,0,0,0|1,0,2]=4 6961 B14R0.394 CC(C)CCCNCCCCCCCO 2230a_200000737386_100000760002 [0,1,0,0,0,0|1,0,2]=4 6962 B14R0.394 CC(C)CCCNCCCCCCCO 34a_100011996573_100011214892 [0,1,0,0,0,0|1,0,2]=4 6963 B14R0.394 CC(C)CCCNCCCCCCCO 34a_200000737386_100000760002 [0,1,0,0,0,0|1,0,2]=4 6964 B14R0.394 CC(C)CCCOCCCCCCC#N 7a_100000210774_100009813337 [0,1,0,0,0,0|2,0,1]=4 6965 B14R0.394 CC(C)CCCOCCCCCCCBr 34a_100000760002_100011214892 [0,1,0,0,0,0|2,0,1]=4 6966 B14R0.394 CC(C)CCCOCCCCCCCBr 7a_100000760002_100011214892 [0,1,0,0,0,0|2,0,1]=4 6967 B14R0.394 CC(C)CCCOCCCCCCCN 34a_100011996573_100011214892 [0,1,0,0,0,0|2,0,1]=4 6968 B14R0.394 CC(C)CCCOCCCCCCCO 34a_100000210774_100000760002 [0,1,0,0,0,0|1,0,2]=4 6969 B14R0.394 CC(C)CCCOCCCCCCCO 7a_100000210774_100000760002 [0,1,0,0,0,0|1,0,2]=4 6970 B14R0.394 CC(C)CCCSCCCCCCC#N 62a_100009813337_100011214892 [0,1,0,0,0,0|2,0,1]=4 6971 B14R0.394 CC(C)CCCSCCCCCCC#N 62a_100011214892_100009813337 [0,1,0,0,0,0|2,0,1]=4 6972 B14R0.394 CC(C)CCCSCCCCCCCO 62a_100000760002_100011214892 [0,1,0,0,0,0|1,0,2]=4 6973 B14R0.394 CC(C)CCCSCCCCCCCO 62a_100011214892_100000760002 [0,1,0,0,0,0|1,0,2]=4 6974 B14R0.394 CC(C)CCNCCCCCCCCO 2230a_102515433106_100000210312 [0,1,0,0,0,0|1,0,2]=4 6975 B14R0.394 CC(C)CCNCCCCCCCCO 269862a_102515433106_100000185833 [0,1,0,0,0,0|1,0,2]=4 6976 B14R0.394 CC(C)CCNCCCCCCCCO 34a_102515433106_100000210312 [0,1,0,0,0,0|1,0,2]=4 6977 B14R0.394 CC(C)CCOCCCCCCCCBr 34a_100009813846_100000210312 [0,1,0,0,0,0|2,0,1]=4 6978 B14R0.394 CC(C)CCOCCCCCCCCBr 7a_100009813846_100000210626 [0,1,0,0,0,0|2,0,1]=4 6979 B14R0.394 CC(C)CCOCCCCCCCCCl 34a_100000033203_100000210312 [0,1,0,0,0,0|2,0,1]=4 6980 B14R0.394 CC(C)CCOCCCCCCCCCl 7a_100000033203_100000210626 [0,1,0,0,0,0|2,0,1]=4 6981 B14R0.394 CC(C)CCOCCCCCCCCN 34a_102515433106_100000210312 [0,1,0,0,0,0|2,0,1]=4 6982 B14R0.394 CC(C)CCOCCCCCCCCO 34a_100000210254_100000033203 [0,1,0,0,0,0|1,0,2]=4 6983 B14R0.394 CC(C)CCOCCCCCCCCO 7a_100000210254_100000033203 [0,1,0,0,0,0|1,0,2]=4 6984 B14R0.394 CC(C)CCSCCCCCCCCO 62a_100000033203_100000210312 [0,1,0,0,0,0|1,0,2]=4 6985 B14R0.394 CC(C)CCSCCCCCCCCO 62a_100000210312_100000033203 [0,1,0,0,0,0|1,0,2]=4 6986 B14R0.394 CC(C)CNCCCCCCCCCO 2230a_100000078944_100000210760 [0,1,0,0,0,0|1,0,2]=4 6987 B14R0.394 CC(C)CNCCCCCCCCCO 2230a_100000210953_100009813782 [0,1,0,0,0,0|1,0,2]=4 6988 B14R0.394 CC(C)CNCCCCCCCCCO 270004a_100000078944_100000210432 [0,1,0,0,0,0|1,0,2]=4 6989 B14R0.394 CC(C)CNCCCCCCCCCO 34a_100000078944_100000210624 [0,1,0,0,0,0|1,0,2]=4 6990 B14R0.394 CC(C)CNCCCCCCCCCO 34a_100000210953_100009813782 [0,1,0,0,0,0|1,0,2]=4 6991 B14R0.394 CC(C)COCCCCCCCCCBr 34a_100009813782_100000210624 [0,1,0,0,0,0|2,0,1]=4 6992 B14R0.394 CC(C)COCCCCCCCCCBr 7a_100009813782_100000210760 [0,1,0,0,0,0|2,0,1]=4 6993 B14R0.394 CC(C)COCCCCCCCCCCl 34a_100009868337_100000210624 [0,1,0,0,0,0|2,0,1]=4 6994 B14R0.394 CC(C)COCCCCCCCCCCl 7a_100009868337_100000210760 [0,1,0,0,0,0|2,0,1]=4 6995 B14R0.394 CC(C)COCCCCCCCCCN 34a_100000078944_100000210624 [0,1,0,0,0,0|2,0,1]=4 6996 B14R0.394 CC(C)COCCCCCCCCCO 34a_100000210257_100009813782 [0,1,0,0,0,0|1,0,2]=4 6997 B14R0.394 CC(C)COCCCNCCCCC=O 2230a_100000205972_100000139335 [0,1,0,0,0,0|2,0,0]=3 6998 B14R0.394 CC(C)COCCOCCCCCC=O 7a_100000703358_100000139337 [0,1,0,0,0,0|2,0,0]=3 6999 B14R0.394 CC(C)CSCCCCCCCCCO 62a_100000210624_100009813782 [0,1,0,0,0,0|1,0,2]=4 7000 B14R0.394 CC(C)CSCCCCCCCCCO 62a_100009813782_100000210760 [0,1,0,0,0,0|1,0,2]=4 7001 B14R0.394 CC(C)CSCCOCCCCCC=O 7a_200000230437_100000139337 [0,1,0,0,0,0|2,0,0]=3 7002 B14R0.394 CC(C)NCCCCCCCCCCO 2230a_100000066964_100000210206 [0,1,0,0,0,0|1,0,2]=4 7003 B14R0.394 CC(C)NCCCCCCCCCCO 2230a_100138425928_100009813290 [0,1,0,0,0,0|1,0,2]=4 7004 B14R0.394 CC(C)NCCCCCCCCCCO 34a_100000066964_100000210206 [0,1,0,0,0,0|1,0,2]=4 7005 B14R0.394 CC(C)NCCCCCCCCCCO 34a_100138425928_100009813290 [0,1,0,0,0,0|1,0,2]=4 7006 B14R0.394 CC(C)OCCCCCCCCCCBr 34a_100009813290_100000210206 [0,1,0,0,0,0|2,0,1]=4 7007 B14R0.394 CC(C)OCCCCCCCCCCBr 7a_100009813290_100000210206 [0,1,0,0,0,0|2,0,1]=4 7008 B14R0.394 CC(C)OCCCCCCCCCCCl 34a_200000033068_100000210206 [0,1,0,0,0,0|2,0,1]=4 7009 B14R0.394 CC(C)OCCCCCCCCCCCl 7a_200000033068_100000210206 [0,1,0,0,0,0|2,0,1]=4 7010 B14R0.394 CC(C)OCCCCCCCCCCN 34a_100000066964_100000210206 [0,1,0,0,0,0|2,0,1]=4 7011 B14R0.394 CC(C)OCCCCCCCCCCO 34a_100000212225_100009813290 [0,1,0,0,0,0|1,0,2]=4 7012 B14R0.394 CC(C)OCCCNCCCCCC=O 2230a_100000737246_100000139337 [0,1,0,0,0,0|2,0,0]=3 7013 B14R0.394 CC(C)SCCCCCCCCCCO 62a_100000210206_200000033068 [0,1,0,0,0,0|1,0,2]=4 7014 B14R0.394 CC(C)SCCCCCCCCCCO 62a_100009813290_100000210206 [0,1,0,0,0,0|1,0,2]=4 7015 B14R0.394 CC(F)COCCCCCCCCCO 34a_100015925927_100009813782 [0,1,0,0,0,0|1,0,2]=4 7016 B14R0.394 CC(O)CCCNCCCCCCCO 2230a_100011996573_200000718107 [0,1,0,0,0,0|1,0,2]=4 7017 B14R0.394 CC(O)CCCNCCCCCCCO 34a_100011996573_200000718107 [0,1,0,0,0,0|1,0,2]=4 7018 B14R0.394 CC(O)CCCOCCCCCCCBr 34a_100000760002_200000718107 [0,1,0,0,0,0|2,0,1]=4 7019 B14R0.394 CC(O)CCCOCCCCCCCBr 7a_100000760002_200000718107 [0,1,0,0,0,0|2,0,1]=4 7020 B14R0.394 CC(O)CCCOCCCCCCCN 34a_100011996573_200000718107 [0,1,0,0,0,0|2,0,1]=4 7021 B14R0.394 CC(O)CCCSCCCCCCC#N 62a_100009813337_200000718107 [0,1,0,0,0,0|2,0,1]=4 7022 B14R0.394 CC(O)CCCSCCCCCCC#N 62a_200000718107_100009813337 [0,1,0,0,0,0|2,0,1]=4 7023 B14R0.394 CC(O)CCCSCCCCCCCO 62a_100000760002_200000718107 [0,1,0,0,0,0|1,0,2]=4 7024 B14R0.394 CC(O)CCCSCCCCCCCO 62a_200000718107_100000760002 [0,1,0,0,0,0|1,0,2]=4 7025 B14R0.394 CC(O)CCNCCCCCCCCO 2230a_102515433106_100012276601 [0,1,0,0,0,0|1,0,2]=4 7026 B14R0.394 CC(O)CCNCCCCCCCCO 2230a_200000755665_100000033203 [0,1,0,0,0,0|1,0,2]=4 7027 B14R0.394 CC(O)CCNCCCCCCCCO 34a_102515433106_100012276601 [0,1,0,0,0,0|1,0,2]=4 7028 B14R0.394 CC(O)CCOCCCCCCCCBr 34a_100009813846_100012276601 [0,1,0,0,0,0|2,0,1]=4 7029 B14R0.394 CC(O)CCOCCCCCCCCBr 7a_100009813846_100012276601 [0,1,0,0,0,0|2,0,1]=4 7030 B14R0.394 CC(O)CCOCCCCCCCCCl 34a_100000033203_100012276601 [0,1,0,0,0,0|2,0,1]=4 7031 B14R0.394 CC(O)CCOCCCCCCCCCl 7a_100000033203_100012276601 [0,1,0,0,0,0|2,0,1]=4 7032 B14R0.394 CC(O)CCOCCCCCCCCN 34a_102515433106_100012276601 [0,1,0,0,0,0|2,0,1]=4 7033 B14R0.394 CC(O)CCSCCCCCCCCO 62a_100000033203_100012276601 [0,1,0,0,0,0|1,0,2]=4 7034 B14R0.394 CC(O)CCSCCCCCCCCO 62a_100012276601_100000033203 [0,1,0,0,0,0|1,0,2]=4 7035 B14R0.394 CC(O)CNCCCCCCCCCO 2230a_100000078944_100011218427 [0,1,0,0,0,0|1,0,2]=4 7036 B14R0.394 CC(O)CNCCCCCCCCCO 2230a_100000210904_100009813782 [0,1,0,0,0,0|1,0,2]=4 7037 B14R0.394 CC(O)CNCCCCCCCCCO 34a_100000078944_100011218427 [0,1,0,0,0,0|1,0,2]=4 7038 B14R0.394 CC(O)CNCCCCCCCCCO 34a_100000210904_100009813782 [0,1,0,0,0,0|1,0,2]=4 7039 B14R0.394 CC(O)COCCCCCCCCCBr 34a_100009813782_100011218427 [0,1,0,0,0,0|2,0,1]=4 7040 B14R0.394 CC(O)COCCCCCCCCCBr 7a_100009813782_100011218427 [0,1,0,0,0,0|2,0,1]=4 7041 B14R0.394 CC(O)COCCCCCCCCCCl 34a_100009868337_100011218427 [0,1,0,0,0,0|2,0,1]=4 7042 B14R0.394 CC(O)COCCCCCCCCCCl 7a_100009868337_100011218427 [0,1,0,0,0,0|2,0,1]=4 7043 B14R0.394 CC(O)COCCCCCCCCCN 34a_100000078944_100011218427 [0,1,0,0,0,0|2,0,1]=4 7044 B14R0.394 CC(O)CSCCCCCCCCCO 62a_100009813782_100011218427 [0,1,0,0,0,0|1,0,2]=4 7045 B14R0.394 CC(O)CSCCCCCCCCCO 62a_100011218427_100009813782 [0,1,0,0,0,0|1,0,2]=4 7046 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 34a_100016287902_100009817362 [0,1,0,0,0,0|1,0,2]=4 7047 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 7a_100016287902_100000735457 [0,1,0,0,0,0|1,0,2]=4 7048 B14R0.394 CC/C=C\CCCCCNCCC(=O)N 269862a_100000740010_100016288537 [0,1,0,0,0,0|1,0,2]=4 7049 B14R0.394 CC/C=C\CCCCCOCCC(=O)C 7a_100016268722_100000053229 [0,1,0,0,0,0|1,0,2]=4 7050 B14R0.394 CC/C=C\CCCCCOCCC(=O)N 34a_100016268722_100000731001 [0,1,0,0,0,0|1,0,2]=4 7051 B14R0.394 CC/C=C\CCCCCOCCC(=O)N 7a_100016268722_100000744528 [0,1,0,0,0,0|1,0,2]=4 7052 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 34a_100016287862_100000685027 [0,1,0,0,0,0|1,0,2]=4 7053 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 7a_100016287862_100011215641 [0,1,0,0,0,0|1,0,2]=4 7054 B14R0.394 CC/C=C\CCCCOCCCC(=O)N 34a_100016287862_100102525003 [0,1,0,0,0,0|1,0,2]=4 7055 B14R0.394 CC/C=C\CCCCOCCCC(=O)N 7a_100016287862_100102525003 [0,1,0,0,0,0|1,0,2]=4 7056 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 34a_100000123541_100015370543 [0,1,0,0,0,0|1,0,2]=4 7057 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 34a_100016288707_100009817443 [0,1,0,0,0,0|1,0,2]=4 7058 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 7a_100000123541_100015370543 [0,1,0,0,0,0|1,0,2]=4 7059 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 7a_100016288707_100009817443 [0,1,0,0,0,0|1,0,2]=4 7060 B14R0.394 CC/C=C\CCOCCCCCC(=O)[O-] 7a_100102619762_100015370543 [0,1,0,0,0,0|1,0,2]=4 7061 B14R0.394 CC/C=C\CCSCCCCCC(=O)N 62a_100009817443_100015370543 [0,1,0,0,0,0|1,0,2]=4 7062 B14R0.394 CC/C=C\CCSCCCCCC(=O)N 62a_100015370543_100009817443 [0,1,0,0,0,0|1,0,2]=4 7063 B14R0.394 CC=CCCCOCCCCCC(=O)N 34a_100020645299_100009817443 [0,1,0,0,0,0|1,0,2]=4 7064 B14R0.394 CC=CCCCOCCCCCC(C)C 34a_100020645299_100000210682 [0,1,0,0,0,0|2,0,1]=4 7065 B14R0.394 CC=CCOCCCCCCCC(C)C 34a_200000210741_100000070051 [0,1,0,0,0,0|2,0,1]=4 7066 B14R0.394 CC=CCOCCCCCCCC(C)C 7a_200000210741_100000070051 [0,1,0,0,0,0|2,0,1]=4 7067 B14R0.394 CCC#CCCCCCCNCC(=O)N 2230a_100000711301_200000036426 [0,1,0,0,0,0|1,0,2]=4 7068 B14R0.394 CCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000036426 [0,1,0,0,0,0|1,0,2]=4 7069 B14R0.394 CCC#CCCCCCCOCC(=O)C 34a_100000211253_200000036426 [0,1,0,0,0,0|1,0,2]=4 7070 B14R0.394 CCC#CCCCCCCSCC(=O)N 62a_100000747473_200000036426 [0,1,0,0,0,0|1,0,2]=4 7071 B14R0.394 CCC#CCCCCCCSCC(=O)N 62a_200000036426_100000747473 [0,1,0,0,0,0|1,0,2]=4 7072 B14R0.394 CCC#CCCCCCCSCC(=O)[O-] 62a_100020667443_200000036426 [0,1,0,0,0,0|1,0,2]=4 7073 B14R0.394 CCC#CCCCCCCSCC(=O)[O-] 62a_200000036426_100020667443 [0,1,0,0,0,0|1,0,2]=4 7074 B14R0.394 CCC#CCCOCCCCCC(=O)N 34a_100000036655_100009817443 [0,1,0,0,0,0|1,0,2]=4 7075 B14R0.394 CCC#CCCOCCCCCC(=O)N 7a_100000036655_100009817443 [0,1,0,0,0,0|1,0,2]=4 7076 B14R0.394 CCC/C=C/COCCCCCC(=O)N 34a_100016278788_100009817443 [0,1,0,0,0,0|1,0,2]=4 7077 B14R0.394 CCC/C=C/COCCCCCC(=O)N 7a_100016278788_100009817443 [0,1,0,0,0,0|1,0,2]=4 7078 B14R0.394 CCCC#CCCOCCCCC(=O)C 34a_100000042726_100009817362 [0,1,0,0,0,0|1,0,2]=4 7079 B14R0.394 CCCC#CCCOCCCCC(=O)C 7a_100000042726_100000735457 [0,1,0,0,0,0|1,0,2]=4 7080 B14R0.394 CCCC#CCOCCCCCC(=O)N 34a_100000034806_100009817443 [0,1,0,0,0,0|1,0,2]=4 7081 B14R0.394 CCCC#CCOCCCCCC(=O)N 7a_100000034806_100009817443 [0,1,0,0,0,0|1,0,2]=4 7082 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 34a_200020645093_100000187820 [0,1,0,0,0,0|1,0,2]=4 7083 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 7a_200020645093_100000187820 [0,1,0,0,0,0|1,0,2]=4 7084 B14R0.394 CCCC/C=C/CCCCOCC(=O)[O-] 34a_200020645093_100020667443 [0,1,0,0,0,0|1,0,2]=4 7085 B14R0.394 CCCC/C=C/COCCCCC(=O)C 34a_200016272032_100009817362 [0,1,0,0,0,0|1,0,2]=4 7086 B14R0.394 CCCC/C=C/COCCCCC(=O)C 7a_200016272032_100000735457 [0,1,0,0,0,0|1,0,2]=4 7087 B14R0.394 CCCC/C=C\CCOCCCC(=O)C 34a_200016286491_100000685027 [0,1,0,0,0,0|1,0,2]=4 7088 B14R0.394 CCCC/C=C\CCOCCCC(=O)C 7a_200016286491_100011215641 [0,1,0,0,0,0|1,0,2]=4 7089 B14R0.394 CCCC/C=C\CCOCCCC(=O)N 34a_200016286491_100102525003 [0,1,0,0,0,0|1,0,2]=4 7090 B14R0.394 CCCC/C=C\CCOCCCC(=O)N 7a_200016286491_100102525003 [0,1,0,0,0,0|1,0,2]=4 7091 B14R0.394 CCCCC#CCCCCCCC(=O)C 1458a_100000070787_200000043322 [0,1,0,0,0,0|0,0,2]=3 7092 B14R0.394 CCCCC#CCCCCOCC(=O)N 34a_200000066234_100000187820 [0,1,0,0,0,0|1,0,2]=4 7093 B14R0.394 CCCCC#CCCCCOCC(=O)N 7a_200000066234_100000187820 [0,1,0,0,0,0|1,0,2]=4 7094 B14R0.394 CCCCC#CCCCCOCC(=O)[O-] 34a_200000066234_100020667443 [0,1,0,0,0,0|1,0,2]=4 7095 B14R0.394 CCCCC#CCCCOCCC(=O)C 34a_100000759926_200000047210 [0,1,0,0,0,0|1,0,2]=4 7096 B14R0.394 CCCCC#CCCCOCCC(=O)C 7a_100000759926_200000047210 [0,1,0,0,0,0|1,0,2]=4 7097 B14R0.394 CCCCC#CCCCOCCC(=O)N 34a_100000757172_200000047210 [0,1,0,0,0,0|1,0,2]=4 7098 B14R0.394 CCCCC#CCCCOCCC(=O)N 7a_100000757172_200000047210 [0,1,0,0,0,0|1,0,2]=4 7099 B14R0.394 CCCCC#CCCCSCCC(=O)C 62a_100000053229_200000047210 [0,1,0,0,0,0|1,0,2]=4 7100 B14R0.394 CCCCC#CCCCSCCC(=O)C 62a_200000047210_100000053229 [0,1,0,0,0,0|1,0,2]=4 7101 B14R0.394 CCCCC#CCCCSCCC(=O)N 62a_100000744528_200000047210 [0,1,0,0,0,0|1,0,2]=4 7102 B14R0.394 CCCCC#CCCCSCCC(=O)N 62a_200000047210_100000744528 [0,1,0,0,0,0|1,0,2]=4 7103 B14R0.394 CCCCC#CCCOCCCC(=O)C 34a_100000037610_100000685027 [0,1,0,0,0,0|1,0,2]=4 7104 B14R0.394 CCCCC#CCCOCCCC(=O)C 7a_100000037610_100011215641 [0,1,0,0,0,0|1,0,2]=4 7105 B14R0.394 CCCCC#CCCOCCCC(=O)N 34a_100000037610_100102525003 [0,1,0,0,0,0|1,0,2]=4 7106 B14R0.394 CCCCC#CCCOCCCC(=O)N 7a_100000037610_100102525003 [0,1,0,0,0,0|1,0,2]=4 7107 B14R0.394 CCCCC#CCOCCCCC(=O)C 34a_200000034558_100009817362 [0,1,0,0,0,0|1,0,2]=4 7108 B14R0.394 CCCCC#CCOCCCCC(=O)C 7a_200000034558_100000735457 [0,1,0,0,0,0|1,0,2]=4 7109 B14R0.394 CCCCC/C=C/COCCCC(=O)C 34a_100016258190_100000685027 [0,1,0,0,0,0|1,0,2]=4 7110 B14R0.394 CCCCC/C=C/COCCCC(=O)C 7a_100016258190_100011215641 [0,1,0,0,0,0|1,0,2]=4 7111 B14R0.394 CCCCC/C=C/COCCCC(=O)N 34a_100016258190_100102525003 [0,1,0,0,0,0|1,0,2]=4 7112 B14R0.394 CCCCC/C=C/COCCCC(=O)N 7a_100016258190_100102525003 [0,1,0,0,0,0|1,0,2]=4 7113 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 34a_100020655193_100000187820 [0,1,0,0,0,0|1,0,2]=4 7114 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 7a_100020655193_100000187820 [0,1,0,0,0,0|1,0,2]=4 7115 B14R0.394 CCCCC/C=C\CCCOCC(=O)[O-] 34a_100020655193_100020667443 [0,1,0,0,0,0|1,0,2]=4 7116 B14R0.394 CCCCC/C=C\CCOCCC(=O)C 7a_100016277358_100000053229 [0,1,0,0,0,0|1,0,2]=4 7117 B14R0.394 CCCCC/C=C\CCOCCC(=O)N 34a_100016277358_100000731001 [0,1,0,0,0,0|1,0,2]=4 7118 B14R0.394 CCCCC/C=C\CCOCCC(=O)N 7a_100016277358_100000744528 [0,1,0,0,0,0|1,0,2]=4 7119 B14R0.394 CCCCCC#CCCOCCC(=O)C 7a_200000042877_100000053229 [0,1,0,0,0,0|1,0,2]=4 7120 B14R0.394 CCCCCC#CCCOCCC(=O)N 34a_200000042877_100000731001 [0,1,0,0,0,0|1,0,2]=4 7121 B14R0.394 CCCCCC#CCCOCCC(=O)N 7a_200000042877_100000744528 [0,1,0,0,0,0|1,0,2]=4 7122 B14R0.394 CCCCCC#CCNCCCC(=O)N 34a_100000739312_100009816472 [0,1,0,0,0,0|1,0,2]=4 7123 B14R0.394 CCCCCC#CCOCCCC(=O)C 34a_100000759063_100009816472 [0,1,0,0,0,0|1,0,2]=4 7124 B14R0.394 CCCCCC#CCOCCCC(=O)C 34a_200000033628_100000685027 [0,1,0,0,0,0|1,0,2]=4 7125 B14R0.394 CCCCCC#CCOCCCC(=O)C 7a_100000759063_100009816472 [0,1,0,0,0,0|1,0,2]=4 7126 B14R0.394 CCCCCC#CCOCCCC(=O)C 7a_200000033628_100011215641 [0,1,0,0,0,0|1,0,2]=4 7127 B14R0.394 CCCCCC#CCOCCCC(=O)N 34a_200000033628_100102525003 [0,1,0,0,0,0|1,0,2]=4 7128 B14R0.394 CCCCCC#CCOCCCC(=O)N 7a_200000033628_100102525003 [0,1,0,0,0,0|1,0,2]=4 7129 B14R0.394 CCCCCC#CCSCCCC(=O)C 62a_100009816472_100011215641 [0,1,0,0,0,0|1,0,2]=4 7130 B14R0.394 CCCCCC#CCSCCCC(=O)C 62a_100011215641_100009816472 [0,1,0,0,0,0|1,0,2]=4 7131 B14R0.394 CCCCCC#CCSCCCC(=O)N 62a_100009816472_100102525003 [0,1,0,0,0,0|1,0,2]=4 7132 B14R0.394 CCCCCC#CCSCCCC(=O)N 62a_100102525003_100009816472 [0,1,0,0,0,0|1,0,2]=4 7133 B14R0.394 CCCCCC/C=C/COCCC(=O)C 7a_200016276170_100000053229 [0,1,0,0,0,0|1,0,2]=4 7134 B14R0.394 CCCCCC/C=C/COCCC(=O)N 34a_200016276170_100000731001 [0,1,0,0,0,0|1,0,2]=4 7135 B14R0.394 CCCCCC/C=C/COCCC(=O)N 7a_200016276170_100000744528 [0,1,0,0,0,0|1,0,2]=4 7136 B14R0.394 CCCCCCC#CCCOCC(=O)N 34a_200000033163_100000187820 [0,1,0,0,0,0|1,0,2]=4 7137 B14R0.394 CCCCCCC#CCCOCC(=O)N 7a_200000033163_100000187820 [0,1,0,0,0,0|1,0,2]=4 7138 B14R0.394 CCCCCCC#CCCOCC(=O)[O-] 34a_200000033163_100020667443 [0,1,0,0,0,0|1,0,2]=4 7139 B14R0.394 CCCCCCC#CCOCCC(=O)C 7a_200000037284_100000053229 [0,1,0,0,0,0|1,0,2]=4 7140 B14R0.394 CCCCCCC#CCOCCC(=O)N 34a_200000037284_100000731001 [0,1,0,0,0,0|1,0,2]=4 7141 B14R0.394 CCCCCCC#CCOCCC(=O)N 7a_200000037284_100000744528 [0,1,0,0,0,0|1,0,2]=4 7142 B14R0.394 CCCCCCCC#CCOCC(=O)N 34a_200000061759_100000187820 [0,1,0,0,0,0|1,0,2]=4 7143 B14R0.394 CCCCCCCC#CCOCC(=O)N 7a_200000061759_100000187820 [0,1,0,0,0,0|1,0,2]=4 7144 B14R0.394 CCCCCCCC#CCOCC(=O)[O-] 34a_200000061759_100020667443 [0,1,0,0,0,0|1,0,2]=4 7145 B14R0.394 CCCCCCCCCC=NNC(=O)C 4a_100000189765_100000210895 [0,1,0,0,0,0|2,0,1]=4 7146 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [0,1,0,0,0,0|0,0,0]=1 7147 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [0,1,0,0,0,0|0,0,0]=1 7148 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [0,1,0,0,0,0|0,0,0]=1 7149 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100000227908_200000210301 [0,1,0,0,0,0|2,0,0]=3 7150 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100102631434_100011215052 [0,1,0,0,0,0|2,0,0]=3 7151 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100000227908_200000210301 [0,1,0,0,0,0|2,0,0]=3 7152 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100102631434_100000759014 [0,1,0,0,0,0|2,0,0]=3 7153 B14R0.394 CCCCCCCCCCCCN(C)C 270004a_100102631434_100011218549 [0,1,0,0,0,0|2,0,0]=3 7154 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 2230a_100000227908_200025704644 [0,1,0,0,0,0|2,0,0]=3 7155 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 269982a_100000227908_200025704644 [0,1,0,0,0,0|2,0,0]=3 7156 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [0,1,0,0,0,0|1,0,0]=2 7157 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [0,1,0,0,0,0|1,0,0]=2 7158 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [0,1,0,0,0,0|1,0,0]=2 7159 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [0,1,0,0,0,0|1,0,0]=2 7160 B14R0.394 CCCCCCCCCCCNC(C)C 2230a_100138425928_100011215454 [0,1,0,0,0,0|2,0,1]=4 7161 B14R0.394 CCCCCCCCCCCNC(C)C 2230a_200011215754_100000210206 [0,1,0,0,0,0|2,0,1]=4 7162 B14R0.394 CCCCCCCCCCCNC(C)C 34a_100138425928_100011215454 [0,1,0,0,0,0|2,0,1]=4 7163 B14R0.394 CCCCCCCCCCCNC(C)C 34a_200011215754_100000210206 [0,1,0,0,0,0|2,0,1]=4 7164 B14R0.394 CCCCCCCCCCCOC(C)C 34a_100000210809_100000210206 [0,1,0,0,0,0|2,0,1]=4 7165 B14R0.394 CCCCCCCCCCCOC(C)C 34a_100000212225_100011215454 [0,1,0,0,0,0|2,0,1]=4 7166 B14R0.394 CCCCCCCCCCCOC(C)C 7a_100000210809_100000210206 [0,1,0,0,0,0|2,0,1]=4 7167 B14R0.394 CCCCCCCCCCCSC(C)C 62a_100000210206_100011215454 [0,1,0,0,0,0|2,0,1]=4 7168 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [0,1,0,0,0,0|1,0,0]=2 7169 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [0,1,0,0,0,0|1,0,0]=2 7170 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [0,1,0,0,0,0|1,0,0]=2 7171 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [0,1,0,0,0,0|1,0,0]=2 7172 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [0,1,0,0,0,0|1,0,0]=2 7173 B14R0.394 CCCCCCCCCCNCC(C)C 2230a_100000210953_100000210320 [0,1,0,0,0,0|2,0,1]=4 7174 B14R0.394 CCCCCCCCCCNCC(C)C 2230a_100000684558_100000210760 [0,1,0,0,0,0|2,0,1]=4 7175 B14R0.394 CCCCCCCCCCNCC(C)C 270004a_100000684558_100000210432 [0,1,0,0,0,0|2,0,1]=4 7176 B14R0.394 CCCCCCCCCCNCC(C)C 34a_100000210953_100000210320 [0,1,0,0,0,0|2,0,1]=4 7177 B14R0.394 CCCCCCCCCCNCC(C)C 34a_100000684558_100000210624 [0,1,0,0,0,0|2,0,1]=4 7178 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000210904_100000210320 [0,1,0,0,0,0|1,0,2]=4 7179 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000684558_100011218427 [0,1,0,0,0,0|1,0,2]=4 7180 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000210904_100000210320 [0,1,0,0,0,0|1,0,2]=4 7181 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000684558_100011218427 [0,1,0,0,0,0|1,0,2]=4 7182 B14R0.394 CCCCCCCCCCNCC(F)F 2230a_100000684558_100011934356 [0,1,0,0,0,0|2,0,1]=4 7183 B14R0.394 CCCCCCCCCCNCC(F)F 34a_100000684558_100011934356 [0,1,0,0,0,0|2,0,1]=4 7184 B14R0.394 CCCCCCCCCCNCC(F)F 34a_100000765723_100000210320 [0,1,0,0,0,0|2,0,1]=4 7185 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 2230a_100000684558_100009817552 [0,1,0,0,0,0|1,0,2]=4 7186 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 34a_100000684558_100009817552 [0,1,0,0,0,0|1,0,2]=4 7187 B14R0.394 CCCCCCCCCCNC[N+](=O)[O-] 34a_100000684558_100000761209 [0,1,0,0,0,0|2,0,0]=3 7188 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [0,1,0,0,0,0|1,0,0]=2 7189 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [0,1,0,0,0,0|1,0,0]=2 7190 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [0,1,0,0,0,0|1,0,0]=2 7191 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [0,1,0,0,0,0|1,0,0]=2 7192 B14R0.394 CCCCCCCCCCOCC(C)Br 34a_100012180447_100000210320 [0,1,0,0,0,0|2,0,1]=4 7193 B14R0.394 CCCCCCCCCCOCC(C)C 34a_100000210257_100000210320 [0,1,0,0,0,0|2,0,1]=4 7194 B14R0.394 CCCCCCCCCCOCC(C)C 34a_100000210711_100000210624 [0,1,0,0,0,0|2,0,1]=4 7195 B14R0.394 CCCCCCCCCCOCC(C)C 7a_100000210711_100000210760 [0,1,0,0,0,0|2,0,1]=4 7196 B14R0.394 CCCCCCCCCCOCC(C)F 34a_100015925927_100000210320 [0,1,0,0,0,0|2,0,1]=4 7197 B14R0.394 CCCCCCCCCCOCC(C)O 34a_100000210711_100011218427 [0,1,0,0,0,0|1,0,2]=4 7198 B14R0.394 CCCCCCCCCCOCC(C)O 7a_100000210711_100011218427 [0,1,0,0,0,0|1,0,2]=4 7199 B14R0.394 CCCCCCCCCCOCC(F)F 34a_100000210711_100011934356 [0,1,0,0,0,0|2,0,1]=4 7200 B14R0.394 CCCCCCCCCCOCC(F)F 34a_100000743014_100000210320 [0,1,0,0,0,0|2,0,1]=4 7201 B14R0.394 CCCCCCCCCCOCC(F)F 7a_100000210711_100011934356 [0,1,0,0,0,0|2,0,1]=4 7202 B14R0.394 CCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210320 [0,1,0,0,0,0|2,0,1]=4 7203 B14R0.394 CCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210320 [0,1,0,0,0,0|2,0,1]=4 7204 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 34a_100000210711_100009817552 [0,1,0,0,0,0|1,0,2]=4 7205 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 7a_100000210711_100009817552 [0,1,0,0,0,0|1,0,2]=4 7206 B14R0.394 CCCCCCCCCCOC[N+](=O)[O-] 34a_100000210711_100000761209 [0,1,0,0,0,0|2,0,0]=3 7207 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [0,1,0,0,0,0|1,0,0]=2 7208 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [0,1,0,0,0,0|1,0,0]=2 7209 B14R0.394 CCCCCCCCCCSCC(C)C 62a_100000210624_100000210320 [0,1,0,0,0,0|2,0,1]=4 7210 B14R0.394 CCCCCCCCCCSCC(C)O 62a_100011218427_100000210320 [0,1,0,0,0,0|1,0,2]=4 7211 B14R0.394 CCCCCCCCCCSCC(F)F 62a_100011934356_100000210320 [0,1,0,0,0,0|2,0,1]=4 7212 B14R0.394 CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210320 [0,1,0,0,0,0|1,0,2]=4 7213 B14R0.394 CCCCCCCCCNCC=C(C)C 2230a_100000212291_100000761012 [0,1,0,0,0,0|2,0,1]=4 7214 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000212291_100000761012 [0,1,0,0,0,0|2,0,1]=4 7215 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000718196_100011214924 [0,1,0,0,0,0|2,0,1]=4 7216 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [0,1,0,0,0,0|1,0,0]=2 7217 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [0,1,0,0,0,0|1,0,0]=2 7218 B14R0.394 CCCCCCCCCNCCC(C)C 2230a_100000212291_100000210312 [0,1,0,0,0,0|2,0,1]=4 7219 B14R0.394 CCCCCCCCCNCCC(C)C 269862a_100000212291_100000185833 [0,1,0,0,0,0|2,0,1]=4 7220 B14R0.394 CCCCCCCCCNCCC(C)C 34a_100000212291_100000210312 [0,1,0,0,0,0|2,0,1]=4 7221 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_100000212291_100012276601 [0,1,0,0,0,0|1,0,2]=4 7222 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_200000755665_100011214924 [0,1,0,0,0,0|1,0,2]=4 7223 B14R0.394 CCCCCCCCCNCCC(C)O 34a_100000212291_100012276601 [0,1,0,0,0,0|1,0,2]=4 7224 B14R0.394 CCCCCCCCCNCOC(=O)C 34a_100000212291_100009813279 [0,1,0,0,0,0|2,0,0]=3 7225 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [0,1,0,0,0,0|2,0,0]=3 7226 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000210712_100000761012 [0,1,0,0,0,0|2,0,1]=4 7227 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000753907_100011214924 [0,1,0,0,0,0|2,0,1]=4 7228 B14R0.394 CCCCCCCCCOCC=C(C)C 7a_100000210712_100000761012 [0,1,0,0,0,0|2,0,1]=4 7229 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [0,1,0,0,0,0|1,0,0]=2 7230 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [0,1,0,0,0,0|1,0,0]=2 7231 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [0,1,0,0,0,0|1,0,0]=2 7232 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [0,1,0,0,0,0|1,0,0]=2 7233 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [0,1,0,0,0,0|1,0,0]=2 7234 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [0,1,0,0,0,0|1,0,0]=2 7235 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [0,1,0,0,0,0|1,0,0]=2 7236 B14R0.394 CCCCCCCCCOCCC(C)Br 34a_100009893172_100011214924 [0,1,0,0,0,0|2,0,1]=4 7237 B14R0.394 CCCCCCCCCOCCC(C)C 34a_100000210254_100011214924 [0,1,0,0,0,0|2,0,1]=4 7238 B14R0.394 CCCCCCCCCOCCC(C)C 34a_100000210712_100000210312 [0,1,0,0,0,0|2,0,1]=4 7239 B14R0.394 CCCCCCCCCOCCC(C)C 7a_100000210254_100000210328 [0,1,0,0,0,0|2,0,1]=4 7240 B14R0.394 CCCCCCCCCOCCC(C)C 7a_100000210712_100000210626 [0,1,0,0,0,0|2,0,1]=4 7241 B14R0.394 CCCCCCCCCOCCC(C)O 34a_100000210712_100012276601 [0,1,0,0,0,0|1,0,2]=4 7242 B14R0.394 CCCCCCCCCOCCC(C)O 7a_100000210712_100012276601 [0,1,0,0,0,0|1,0,2]=4 7243 B14R0.394 CCCCCCCCCOCCC(F)F 34a_100103093639_100011214924 [0,1,0,0,0,0|2,0,1]=4 7244 B14R0.394 CCCCCCCCCOCCN(C)C 7a_100000210712_100000755713 [0,1,0,0,0,0|3,0,0]=4 7245 B14R0.394 CCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100011214924 [0,1,0,0,0,0|2,0,1]=4 7246 B14R0.394 CCCCCCCCCOCOC(=O)C 34a_100000210712_100009813279 [0,1,0,0,0,0|2,0,0]=3 7247 B14R0.394 CCCCCCCCCSCC=C(C)C 62a_100000761012_100000210670 [0,1,0,0,0,0|2,0,1]=4 7248 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [0,1,0,0,0,0|1,0,0]=2 7249 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [0,1,0,0,0,0|1,0,0]=2 7250 B14R0.394 CCCCCCCCCSCCC(C)C 62a_100000210312_100000210670 [0,1,0,0,0,0|2,0,1]=4 7251 B14R0.394 CCCCCCCCCSCCC(C)O 62a_100012276601_100000210670 [0,1,0,0,0,0|1,0,2]=4 7252 B14R0.394 CCCCCCCCCSCOC(=O)C 62a_100000076356_100000210670 [0,1,0,0,0,0|2,0,0]=3 7253 B14R0.394 CCCCCCCCNCCC=C(C)C 2230a_100000229939_100011217483 [0,1,0,0,0,0|2,0,1]=4 7254 B14R0.394 CCCCCCCCNCCC=C(C)C 34a_100000229939_100011217483 [0,1,0,0,0,0|2,0,1]=4 7255 B14R0.394 CCCCCCCCNCCC=C(F)F 2230a_100000229939_200009816681 [0,1,0,0,0,0|2,0,1]=4 7256 B14R0.394 CCCCCCCCNCCC=C(F)F 34a_100000229939_200009816681 [0,1,0,0,0,0|2,0,1]=4 7257 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [0,1,0,0,0,0|1,0,0]=2 7258 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [0,1,0,0,0,0|1,0,0]=2 7259 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [0,1,0,0,0,0|1,0,0]=2 7260 B14R0.394 CCCCCCCCNCCCC(C)C 2230a_100000229939_100011214892 [0,1,0,0,0,0|2,0,1]=4 7261 B14R0.394 CCCCCCCCNCCCC(C)C 2230a_200000737386_100000210759 [0,1,0,0,0,0|2,0,1]=4 7262 B14R0.394 CCCCCCCCNCCCC(C)C 34a_100000229939_100011214892 [0,1,0,0,0,0|2,0,1]=4 7263 B14R0.394 CCCCCCCCNCCCC(C)C 34a_200000737386_100000210759 [0,1,0,0,0,0|2,0,1]=4 7264 B14R0.394 CCCCCCCCNCCCC(C)O 2230a_100000229939_200000718107 [0,1,0,0,0,0|1,0,2]=4 7265 B14R0.394 CCCCCCCCNCCCC(C)O 34a_100000229939_200000718107 [0,1,0,0,0,0|1,0,2]=4 7266 B14R0.394 CCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210759 [0,1,0,0,0,0|2,0,0]=3 7267 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210759 [0,1,0,0,0,0|2,0,0]=3 7268 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000229939_100000189650 [0,1,0,0,0,0|2,0,0]=3 7269 B14R0.394 CCCCCCCCNCCNC(=O)N 2230a_100000229939_200000034859 [0,1,0,0,0,0|2,0,0]=3 7270 B14R0.394 CCCCCCCCNCCNC(=O)N 34a_100020590234_100000210759 [0,1,0,0,0,0|2,0,0]=3 7271 B14R0.394 CCCCCCCCNCCOC(=O)C 34a_100000229939_100009814007 [0,1,0,0,0,0|2,0,0]=3 7272 B14R0.394 CCCCCCCCNCCOC(=O)N 34a_100000229939_200011214921 [0,1,0,0,0,0|2,0,0]=3 7273 B14R0.394 CCCCCCCCOCCC=C(C)C 34a_100000210232_100011217483 [0,1,0,0,0,0|2,0,1]=4 7274 B14R0.394 CCCCCCCCOCCC=C(C)C 7a_100000210232_100011217483 [0,1,0,0,0,0|2,0,1]=4 7275 B14R0.394 CCCCCCCCOCCC=C(F)F 34a_100000210232_200009816681 [0,1,0,0,0,0|2,0,1]=4 7276 B14R0.394 CCCCCCCCOCCC=C(F)F 7a_100000210232_200009816681 [0,1,0,0,0,0|2,0,1]=4 7277 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [0,1,0,0,0,0|1,0,0]=2 7278 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [0,1,0,0,0,0|1,0,0]=2 7279 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [0,1,0,0,0,0|1,0,0]=2 7280 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [0,1,0,0,0,0|1,0,0]=2 7281 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [0,1,0,0,0,0|1,0,0]=2 7282 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [0,1,0,0,0,0|1,0,0]=2 7283 B14R0.394 CCCCCCCCOCCCC(C)C 34a_100000210232_100011214892 [0,1,0,0,0,0|2,0,1]=4 7284 B14R0.394 CCCCCCCCOCCCC(C)C 34a_100000210774_100000210759 [0,1,0,0,0,0|2,0,1]=4 7285 B14R0.394 CCCCCCCCOCCCC(C)C 7a_100000210232_100011214892 [0,1,0,0,0,0|2,0,1]=4 7286 B14R0.394 CCCCCCCCOCCCC(C)C 7a_100000210774_100000210759 [0,1,0,0,0,0|2,0,1]=4 7287 B14R0.394 CCCCCCCCOCCCC(C)O 34a_100000210232_200000718107 [0,1,0,0,0,0|1,0,2]=4 7288 B14R0.394 CCCCCCCCOCCCC(C)O 7a_100000210232_200000718107 [0,1,0,0,0,0|1,0,2]=4 7289 B14R0.394 CCCCCCCCOCCCN(C)C 7a_100000210232_100000757444 [0,1,0,0,0,0|3,0,0]=4 7290 B14R0.394 CCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210759 [0,1,0,0,0,0|2,0,0]=3 7291 B14R0.394 CCCCCCCCOCCNC(=O)C 34a_100000158858_100000210759 [0,1,0,0,0,0|2,0,0]=3 7292 B14R0.394 CCCCCCCCOCCNC(=O)C 7a_100000210232_100000189650 [0,1,0,0,0,0|2,0,0]=3 7293 B14R0.394 CCCCCCCCOCCNC(=O)N 34a_100000181757_100000210759 [0,1,0,0,0,0|2,0,0]=3 7294 B14R0.394 CCCCCCCCOCCNC(=O)N 7a_100000210232_200000034859 [0,1,0,0,0,0|2,0,0]=3 7295 B14R0.394 CCCCCCCCOCCOC(=O)C 34a_100000210232_100009814007 [0,1,0,0,0,0|2,0,0]=3 7296 B14R0.394 CCCCCCCCOCCOC(=O)C 7a_100000210232_100009814007 [0,1,0,0,0,0|2,0,0]=3 7297 B14R0.394 CCCCCCCCOCCOC(=O)N 34a_100000210232_200011214921 [0,1,0,0,0,0|2,0,0]=3 7298 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000210232_200011214921 [0,1,0,0,0,0|2,0,0]=3 7299 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000766696_100000210759 [0,1,0,0,0,0|2,0,0]=3 7300 B14R0.394 CCCCCCCCSCCC=C(C)C 62a_100000210759_100011217483 [0,1,0,0,0,0|2,0,1]=4 7301 B14R0.394 CCCCCCCCSCCC=C(C)C 62a_100011217483_100000210317 [0,1,0,0,0,0|2,0,1]=4 7302 B14R0.394 CCCCCCCCSCCC=C(F)F 62a_100000210759_200009816681 [0,1,0,0,0,0|2,0,1]=4 7303 B14R0.394 CCCCCCCCSCCC=C(F)F 62a_200009816681_100000210317 [0,1,0,0,0,0|2,0,1]=4 7304 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [0,1,0,0,0,0|1,0,0]=2 7305 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [0,1,0,0,0,0|1,0,0]=2 7306 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [0,1,0,0,0,0|1,0,0]=2 7307 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [0,1,0,0,0,0|1,0,0]=2 7308 B14R0.394 CCCCCCCCSCCCC(C)C 62a_100000210759_100011214892 [0,1,0,0,0,0|2,0,1]=4 7309 B14R0.394 CCCCCCCCSCCCC(C)C 62a_100011214892_100000210317 [0,1,0,0,0,0|2,0,1]=4 7310 B14R0.394 CCCCCCCCSCCCC(C)O 62a_100000210759_200000718107 [0,1,0,0,0,0|1,0,2]=4 7311 B14R0.394 CCCCCCCCSCCCC(C)O 62a_200000718107_100000210317 [0,1,0,0,0,0|1,0,2]=4 7312 B14R0.394 CCCCCCCCSCCCN(C)C 62a_100000210759_100000757444 [0,1,0,0,0,0|3,0,0]=4 7313 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000189650_100000210317 [0,1,0,0,0,0|2,0,0]=3 7314 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000210759_100000189650 [0,1,0,0,0,0|2,0,0]=3 7315 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_100000210759_200000034859 [0,1,0,0,0,0|2,0,0]=3 7316 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_200000034859_100000210317 [0,1,0,0,0,0|2,0,0]=3 7317 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100000210759_100009814007 [0,1,0,0,0,0|2,0,0]=3 7318 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100009814007_100000210317 [0,1,0,0,0,0|2,0,0]=3 7319 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_100000210759_200011214921 [0,1,0,0,0,0|2,0,0]=3 7320 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_200011214921_100000210317 [0,1,0,0,0,0|2,0,0]=3 7321 B14R0.394 CCCCCCCNCCCCB(O)O 2230a_100000229938_200009817182 [0,1,0,0,0,0|2,0,1]=4 7322 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [0,1,0,0,0,0|1,0,0]=2 7323 B14R0.394 CCCCCCCNCCCCC(C)C 2230a_100000229938_100011216152 [0,1,0,0,0,0|2,0,1]=4 7324 B14R0.394 CCCCCCCNCCCNC(=O)C 34a_100000736810_100000210614 [0,1,0,0,0,0|2,0,0]=3 7325 B14R0.394 CCCCCCCNCCCOC(=S)C 2230a_100000229938_200135323944 [0,1,0,0,0,0|2,1,0]=4 7326 B14R0.394 CCCCCCCNCCCSC(=O)C 2230a_100000229938_100000038929 [0,1,0,0,0,0|2,0,0]=3 7327 B14R0.394 CCCCCCCNCCOCC(=O)N 2230a_100000229938_100000076697 [0,1,0,0,0,0|2,0,0]=3 7328 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [0,1,0,0,0,0|2,0,0]=3 7329 B14R0.394 CCCCCCCOCCCCB(O)O 34a_100000210272_200009817182 [0,1,0,0,0,0|2,0,1]=4 7330 B14R0.394 CCCCCCCOCCCCB(O)O 7a_100000210272_200009817182 [0,1,0,0,0,0|2,0,1]=4 7331 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [0,1,0,0,0,0|1,0,0]=2 7332 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [0,1,0,0,0,0|1,0,0]=2 7333 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [0,1,0,0,0,0|1,0,0]=2 7334 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [0,1,0,0,0,0|1,0,0]=2 7335 B14R0.394 CCCCCCCOCCCCC(C)C 34a_100000210272_100011216152 [0,1,0,0,0,0|2,0,1]=4 7336 B14R0.394 CCCCCCCOCCCCC(C)C 34a_100011214890_100000210614 [0,1,0,0,0,0|2,0,1]=4 7337 B14R0.394 CCCCCCCOCCCCC(C)C 7a_100000210272_100011216152 [0,1,0,0,0,0|2,0,1]=4 7338 B14R0.394 CCCCCCCOCCCCC(C)C 7a_100011214890_100000210614 [0,1,0,0,0,0|2,0,1]=4 7339 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210614 [0,1,0,0,0,0|2,0,0]=3 7340 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210614 [0,1,0,0,0,0|2,0,0]=3 7341 B14R0.394 CCCCCCCOCCCNC(=O)C 34a_100000752032_100000210614 [0,1,0,0,0,0|2,0,0]=3 7342 B14R0.394 CCCCCCCOCCCOC(=O)C 34a_100000210272_100000042594 [0,1,0,0,0,0|2,0,0]=3 7343 B14R0.394 CCCCCCCOCCCOC(=O)C 7a_100000210272_100000042594 [0,1,0,0,0,0|2,0,0]=3 7344 B14R0.394 CCCCCCCOCCCOC(=S)C 34a_100000210272_200135323944 [0,1,0,0,0,0|2,1,0]=4 7345 B14R0.394 CCCCCCCOCCCOC(=S)C 7a_100000210272_200135323944 [0,1,0,0,0,0|2,1,0]=4 7346 B14R0.394 CCCCCCCOCCCSC(=O)C 34a_100000210272_100000038929 [0,1,0,0,0,0|2,0,0]=3 7347 B14R0.394 CCCCCCCOCCCSC(=O)C 7a_100000210272_100000038929 [0,1,0,0,0,0|2,0,0]=3 7348 B14R0.394 CCCCCCCOCCOCC(=O)N 34a_100000210272_100000076697 [0,1,0,0,0,0|2,0,0]=3 7349 B14R0.394 CCCCCCCOCCOCC(=O)N 7a_100000210272_100000076697 [0,1,0,0,0,0|2,0,0]=3 7350 B14R0.394 CCCCCCCSCCCCB(O)O 62a_100000210614_200009817182 [0,1,0,0,0,0|2,0,1]=4 7351 B14R0.394 CCCCCCCSCCCCB(O)O 62a_200009817182_100000210316 [0,1,0,0,0,0|2,0,1]=4 7352 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [0,1,0,0,0,0|1,0,0]=2 7353 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [0,1,0,0,0,0|1,0,0]=2 7354 B14R0.394 CCCCCCCSCCCCC(C)C 62a_100000210614_100011216152 [0,1,0,0,0,0|2,0,1]=4 7355 B14R0.394 CCCCCCCSCCCCC(C)C 62a_100011216152_100000210316 [0,1,0,0,0,0|2,0,1]=4 7356 B14R0.394 CCCCCCCSCCCCN(C)C 62a_100000210614_100000690147 [0,1,0,0,0,0|3,0,0]=4 7357 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000042594_100000210316 [0,1,0,0,0,0|2,0,0]=3 7358 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000210614_100000042594 [0,1,0,0,0,0|2,0,0]=3 7359 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_100000210614_200135323944 [0,1,0,0,0,0|2,1,0]=4 7360 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_200135323944_100000210316 [0,1,0,0,0,0|2,1,0]=4 7361 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000038929_100000210316 [0,1,0,0,0,0|2,0,0]=3 7362 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000210614_100000038929 [0,1,0,0,0,0|2,0,0]=3 7363 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000076697_100000210316 [0,1,0,0,0,0|2,0,0]=3 7364 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000210614_100000076697 [0,1,0,0,0,0|2,0,0]=3 7365 B14R0.394 CCCCCCNCCCCCB(O)O 2230a_100000210581_200009817188 [0,1,0,0,0,0|2,0,1]=4 7366 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [0,1,0,0,0,0|1,0,0]=2 7367 B14R0.394 CCCCCCNCCCCCC(C)C 2230a_100000210581_100000210682 [0,1,0,0,0,0|2,0,1]=4 7368 B14R0.394 CCCCCCNCCCCCC(C)C 2230a_100011290863_100000210314 [0,1,0,0,0,0|2,0,1]=4 7369 B14R0.394 CCCCCCNCCCCCC(C)C 34a_100011290863_100000210314 [0,1,0,0,0,0|2,0,1]=4 7370 B14R0.394 CCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210314 [0,1,0,0,0,0|2,0,0]=3 7371 B14R0.394 CCCCCCNCCCCNC(=O)C 34a_200011368371_100000210314 [0,1,0,0,0,0|2,0,0]=3 7372 B14R0.394 CCCCCCNCCCCSC(=O)C 2230a_100000210581_200010402107 [0,1,0,0,0,0|2,0,0]=3 7373 B14R0.394 CCCCCCOCCCCCB(O)O 34a_100000210259_200009817188 [0,1,0,0,0,0|2,0,1]=4 7374 B14R0.394 CCCCCCOCCCCCB(O)O 7a_100000210259_200009817188 [0,1,0,0,0,0|2,0,1]=4 7375 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [0,1,0,0,0,0|1,0,0]=2 7376 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [0,1,0,0,0,0|1,0,0]=2 7377 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [0,1,0,0,0,0|1,0,0]=2 7378 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [0,1,0,0,0,0|1,0,0]=2 7379 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [0,1,0,0,0,0|1,0,0]=2 7380 B14R0.394 CCCCCCOCCCCCC(C)C 34a_100000210259_100000210682 [0,1,0,0,0,0|2,0,1]=4 7381 B14R0.394 CCCCCCOCCCCCC(C)C 34a_100011995859_100000210314 [0,1,0,0,0,0|2,0,1]=4 7382 B14R0.394 CCCCCCOCCCCCC(C)C 7a_100000210259_100000210682 [0,1,0,0,0,0|2,0,1]=4 7383 B14R0.394 CCCCCCOCCCCCC(C)C 7a_100011995859_100000210314 [0,1,0,0,0,0|2,0,1]=4 7384 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000073216_100000210314 [0,1,0,0,0,0|2,0,0]=3 7385 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000210259_100000033659 [0,1,0,0,0,0|2,0,0]=3 7386 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000073216_100000210314 [0,1,0,0,0,0|2,0,0]=3 7387 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000210259_100000033659 [0,1,0,0,0,0|2,0,0]=3 7388 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 34a_100000210259_100015694321 [0,1,0,0,0,0|3,0,0]=4 7389 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 7a_100000210259_100015694321 [0,1,0,0,0,0|3,0,0]=4 7390 B14R0.394 CCCCCCOCCCCSC(=O)C 34a_100000210259_200010402107 [0,1,0,0,0,0|2,0,0]=3 7391 B14R0.394 CCCCCCOCCCCSC(=O)C 7a_100000210259_200010402107 [0,1,0,0,0,0|2,0,0]=3 7392 B14R0.394 CCCCCCOCCOCCC(=O)C 7a_100000691444_100000053229 [0,1,0,0,0,0|2,0,0]=3 7393 B14R0.394 CCCCCCOCCOCCC(=O)N 34a_100000691444_100000731001 [0,1,0,0,0,0|2,0,0]=3 7394 B14R0.394 CCCCCCOCCOCCC(=O)N 7a_100000691444_100000744528 [0,1,0,0,0,0|2,0,0]=3 7395 B14R0.394 CCCCCCOCCOCOC(=O)C 34a_100000691444_100009813279 [0,1,0,0,0,0|3,0,0]=4 7396 B14R0.394 CCCCCCOCOCCOC(=O)C 34a_100000210259_100000076355 [0,1,0,0,0,0|3,0,0]=4 7397 B14R0.394 CCCCCCSCCCCCB(O)O 62a_100000210314_200009817188 [0,1,0,0,0,0|2,0,1]=4 7398 B14R0.394 CCCCCCSCCCCCB(O)O 62a_200009817188_100000210757 [0,1,0,0,0,0|2,0,1]=4 7399 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [0,1,0,0,0,0|1,0,0]=2 7400 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [0,1,0,0,0,0|1,0,0]=2 7401 B14R0.394 CCCCCCSCCCCCC(C)C 62a_100000210314_100000210682 [0,1,0,0,0,0|2,0,1]=4 7402 B14R0.394 CCCCCCSCCCCCC(C)C 62a_100000210682_100000210757 [0,1,0,0,0,0|2,0,1]=4 7403 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000033659_100000210757 [0,1,0,0,0,0|2,0,0]=3 7404 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000210314_100000033659 [0,1,0,0,0,0|2,0,0]=3 7405 B14R0.394 CCCCCCSCCCCO[N+](=O)[O-] 62a_100000210314_100015694321 [0,1,0,0,0,0|3,0,0]=4 7406 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_100000210314_200010402107 [0,1,0,0,0,0|2,0,0]=3 7407 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_200010402107_100000210757 [0,1,0,0,0,0|2,0,0]=3 7408 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000076355_100000210757 [0,1,0,0,0,0|3,0,0]=4 7409 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000210314_100000076355 [0,1,0,0,0,0|3,0,0]=4 7410 B14R0.394 CCCCCNCCCCCCB(O)O 2230a_100000209983_100009817187 [0,1,0,0,0,0|2,0,1]=4 7411 B14R0.394 CCCCCNCCCCCCC(C)C 2230a_100000211014_100000210326 [0,1,0,0,0,0|2,0,1]=4 7412 B14R0.394 CCCCCNCCCCCCC(C)C 34a_100000211014_100000718602 [0,1,0,0,0,0|2,0,1]=4 7413 B14R0.394 CCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210326 [0,1,0,0,0,0|2,0,0]=3 7414 B14R0.394 CCCCCNCCCCCNC(=O)C 34a_200012022750_100000718602 [0,1,0,0,0,0|2,0,0]=3 7415 B14R0.394 CCCCCNCCCCCOC(=O)C 2230a_100000209983_100009813381 [0,1,0,0,0,0|2,0,0]=3 7416 B14R0.394 CCCCCNCCOCCCC(=O)C 34a_100000224656_100000685027 [0,1,0,0,0,0|2,0,0]=3 7417 B14R0.394 CCCCCNCCOCCCC(=O)N 34a_100000224656_100102525003 [0,1,0,0,0,0|2,0,0]=3 7418 B14R0.394 CCCCCNCCOCCOC(=O)C 2230a_100000209983_200000083610 [0,1,0,0,0,0|3,0,0]=4 7419 B14R0.394 CCCCCNCCOCCOC(=O)C 34a_100000224656_100009814007 [0,1,0,0,0,0|3,0,0]=4 7420 B14R0.394 CCCCCNCCOCCOC(=O)N 34a_100000224656_200011214921 [0,1,0,0,0,0|3,0,0]=4 7421 B14R0.394 CCCCCOCCCCCCB(O)O 34a_100000210253_100009817187 [0,1,0,0,0,0|2,0,1]=4 7422 B14R0.394 CCCCCOCCCCCCB(O)O 7a_100000210253_100009817187 [0,1,0,0,0,0|2,0,1]=4 7423 B14R0.394 CCCCCOCCCCCOC(=O)C 34a_100000210253_100000033007 [0,1,0,0,0,0|2,0,0]=3 7424 B14R0.394 CCCCCOCCCCCOC(=O)C 7a_100000210253_100000033007 [0,1,0,0,0,0|2,0,0]=3 7425 B14R0.394 CCCCCOCCOCCCC(=O)C 34a_100011215259_100000685027 [0,1,0,0,0,0|2,0,0]=3 7426 B14R0.394 CCCCCOCCOCCCC(=O)C 7a_100011215259_100011215641 [0,1,0,0,0,0|2,0,0]=3 7427 B14R0.394 CCCCCOCCOCCCC(=O)N 34a_100011215259_100102525003 [0,1,0,0,0,0|2,0,0]=3 7428 B14R0.394 CCCCCOCCOCCCC(=O)N 7a_100011215259_100102525003 [0,1,0,0,0,0|2,0,0]=3 7429 B14R0.394 CCCCCOCCOCCNC(=O)C 7a_100011215259_100000189650 [0,1,0,0,0,0|3,0,0]=4 7430 B14R0.394 CCCCCOCCOCCNC(=O)N 7a_100011215259_200000034859 [0,1,0,0,0,0|3,0,0]=4 7431 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100000210253_200000083610 [0,1,0,0,0,0|3,0,0]=4 7432 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100011215259_100009814007 [0,1,0,0,0,0|3,0,0]=4 7433 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100000210253_200000083610 [0,1,0,0,0,0|3,0,0]=4 7434 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100011215259_100009814007 [0,1,0,0,0,0|3,0,0]=4 7435 B14R0.394 CCCCCOCCOCCOC(=O)N 34a_100011215259_200011214921 [0,1,0,0,0,0|3,0,0]=4 7436 B14R0.394 CCCCCOCCOCCOC(=O)N 7a_100011215259_200011214921 [0,1,0,0,0,0|3,0,0]=4 7437 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100000210326_100009817187 [0,1,0,0,0,0|2,0,1]=4 7438 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100009817187_100000210326 [0,1,0,0,0,0|2,0,1]=4 7439 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000033007_100000210326 [0,1,0,0,0,0|2,0,0]=3 7440 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000210326_100000033007 [0,1,0,0,0,0|2,0,0]=3 7441 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_100000210326_200000083610 [0,1,0,0,0,0|3,0,0]=4 7442 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_200000083610_100000210326 [0,1,0,0,0,0|3,0,0]=4 7443 B14R0.394 CCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210211 [0,1,0,0,0,0|2,0,0]=3 7444 B14R0.394 CCCCNCCCCCCNC(=O)C 34a_200011996284_100000210210 [0,1,0,0,0,0|2,0,0]=3 7445 B14R0.394 CCCCNCCCCOCCC(=O)N 34a_200011216965_100000731001 [0,1,0,0,0,0|2,0,0]=3 7446 B14R0.394 CCCCNCCCCOCOC(=O)C 34a_200011216965_100009813279 [0,1,0,0,0,0|3,0,0]=4 7447 B14R0.394 CCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210211 [0,1,0,0,0,0|3,0,0]=4 7448 B14R0.394 CCCCOCCCCCCCC(C)C 34a_200000210741_100000210210 [0,1,0,0,0,0|2,0,1]=4 7449 B14R0.394 CCCCOCCCCCCCC(C)C 7a_200000210741_100000210211 [0,1,0,0,0,0|2,0,1]=4 7450 B14R0.394 CCCCOCCCCOCCC(=O)C 7a_200000760531_100000053229 [0,1,0,0,0,0|2,0,0]=3 7451 B14R0.394 CCCCOCCCCOCCC(=O)N 34a_200000760531_100000731001 [0,1,0,0,0,0|2,0,0]=3 7452 B14R0.394 CCCCOCCCCOCCC(=O)N 7a_200000760531_100000744528 [0,1,0,0,0,0|2,0,0]=3 7453 B14R0.394 CCCCOCCCCOCOC(=O)C 34a_200000760531_100009813279 [0,1,0,0,0,0|3,0,0]=4 7454 B14R0.394 CCCCOCCCNCCCC(=O)C 34a_200000211371_100000685027 [0,1,0,0,0,0|2,0,0]=3 7455 B14R0.394 CCCCOCCCNCCCC(=O)N 34a_200000211371_100102525003 [0,1,0,0,0,0|2,0,0]=3 7456 B14R0.394 CCCCOCCCNCCNC(=O)C 2230a_200000211371_100000189650 [0,1,0,0,0,0|3,0,0]=4 7457 B14R0.394 CCCCOCCCNCCNC(=O)N 2230a_200000211371_200000034859 [0,1,0,0,0,0|3,0,0]=4 7458 B14R0.394 CCCCOCCCNCCOC(=O)C 34a_200000211371_100009814007 [0,1,0,0,0,0|3,0,0]=4 7459 B14R0.394 CCCCOCCCNCCOC(=O)N 34a_200000211371_200011214921 [0,1,0,0,0,0|3,0,0]=4 7460 B14R0.394 CCCCOCCCOCCCC(=O)C 34a_200011215613_100000685027 [0,1,0,0,0,0|2,0,0]=3 7461 B14R0.394 CCCCOCCCOCCCC(=O)C 7a_200011215613_100011215641 [0,1,0,0,0,0|2,0,0]=3 7462 B14R0.394 CCCCOCCCOCCCC(=O)N 34a_200011215613_100102525003 [0,1,0,0,0,0|2,0,0]=3 7463 B14R0.394 CCCCOCCCOCCCC(=O)N 7a_200011215613_100102525003 [0,1,0,0,0,0|2,0,0]=3 7464 B14R0.394 CCCCOCCCOCCNC(=O)C 7a_200011215613_100000189650 [0,1,0,0,0,0|3,0,0]=4 7465 B14R0.394 CCCCOCCCOCCNC(=O)N 7a_200011215613_200000034859 [0,1,0,0,0,0|3,0,0]=4 7466 B14R0.394 CCCCOCCCOCCOC(=O)C 34a_200011215613_100009814007 [0,1,0,0,0,0|3,0,0]=4 7467 B14R0.394 CCCCOCCCOCCOC(=O)C 7a_200011215613_100009814007 [0,1,0,0,0,0|3,0,0]=4 7468 B14R0.394 CCCCOCCCOCCOC(=O)N 34a_200011215613_200011214921 [0,1,0,0,0,0|3,0,0]=4 7469 B14R0.394 CCCCOCCCOCCOC(=O)N 7a_200011215613_200011214921 [0,1,0,0,0,0|3,0,0]=4 7470 B14R0.394 CCCCOCCNCCCCC(=O)N 34a_100000696515_100000743108 [0,1,0,0,0,0|2,0,0]=3 7471 B14R0.394 CCCCOCCNCCCNC(=O)C 34a_100000736810_100000743108 [0,1,0,0,0,0|3,0,0]=4 7472 B14R0.394 CCCCOCCNCCOCC(=O)O 269956a_100000700818_100000743108 [0,1,0,0,0,0|3,0,0]=4 7473 B14R0.394 CCCCOCCOCCCCC(=O)C 34a_100000210238_100009817362 [0,1,0,0,0,0|2,0,0]=3 7474 B14R0.394 CCCCOCCOCCCCC(=O)C 7a_100000210238_100000735457 [0,1,0,0,0,0|2,0,0]=3 7475 B14R0.394 CCCCOCCOCCCCC(=O)N 34a_100012022536_100000743108 [0,1,0,0,0,0|2,0,0]=3 7476 B14R0.394 CCCCOCCOCCCCC(=O)N 7a_100012022536_100000743108 [0,1,0,0,0,0|2,0,0]=3 7477 B14R0.394 CCCCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100000743108 [0,1,0,0,0,0|3,0,0]=4 7478 B14R0.394 CCCCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100000743108 [0,1,0,0,0,0|3,0,0]=4 7479 B14R0.394 CCCCOCCOCCCNC(=O)C 34a_100000752032_100000743108 [0,1,0,0,0,0|3,0,0]=4 7480 B14R0.394 CCCCOCCOCCCOC(=O)C 34a_100000210238_100000042594 [0,1,0,0,0,0|3,0,0]=4 7481 B14R0.394 CCCCOCCOCCCOC(=O)C 7a_100000210238_100000042594 [0,1,0,0,0,0|3,0,0]=4 7482 B14R0.394 CCCCOCCOCCCSC(=O)C 34a_100000210238_100000038929 [0,1,0,0,0,0|3,0,0]=4 7483 B14R0.394 CCCCOCCOCCCSC(=O)C 7a_100000210238_100000038929 [0,1,0,0,0,0|3,0,0]=4 7484 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100000210238_100000076697 [0,1,0,0,0,0|3,0,0]=4 7485 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100011215186_100000187820 [0,1,0,0,0,0|3,0,0]=4 7486 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100000210238_100000076697 [0,1,0,0,0,0|3,0,0]=4 7487 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100011215186_100000187820 [0,1,0,0,0,0|3,0,0]=4 7488 B14R0.394 CCCCOCCOCCOCC(=O)[O-] 34a_100011215186_100020667443 [0,1,0,0,0,0|3,0,0]=4 7489 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000735457_100000743108 [0,1,0,0,0,0|2,0,0]=3 7490 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000743108_100000735457 [0,1,0,0,0,0|2,0,0]=3 7491 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000042594_100000743108 [0,1,0,0,0,0|3,0,0]=4 7492 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000743108_100000042594 [0,1,0,0,0,0|3,0,0]=4 7493 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000038929_100000743108 [0,1,0,0,0,0|3,0,0]=4 7494 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000743108_100000038929 [0,1,0,0,0,0|3,0,0]=4 7495 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000076697_100000743108 [0,1,0,0,0,0|3,0,0]=4 7496 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000743108_100000076697 [0,1,0,0,0,0|3,0,0]=4 7497 B14R0.394 CCCCOCNCCCCNC(=O)C 2230a_200011368371_100011995733 [0,1,0,0,0,0|3,0,0]=4 7498 B14R0.394 CCCCOCNCCCCNC(=O)C 34a_200011368371_100011995733 [0,1,0,0,0,0|3,0,0]=4 7499 B14R0.394 CCCCOCOCCCCCC(=O)N 34a_100000123541_100011995733 [0,1,0,0,0,0|2,0,0]=3 7500 B14R0.394 CCCCOCOCCCCOC(=O)C 34a_100000073216_100011995733 [0,1,0,0,0,0|3,0,0]=4 7501 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100009817443_100011995733 [0,1,0,0,0,0|2,0,0]=3 7502 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100011995733_100009817443 [0,1,0,0,0,0|2,0,0]=3 7503 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100000033659_100011995733 [0,1,0,0,0,0|3,0,0]=4 7504 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100011995733_100000033659 [0,1,0,0,0,0|3,0,0]=4 7505 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_100011995733_200010402107 [0,1,0,0,0,0|3,0,0]=4 7506 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_200010402107_100011995733 [0,1,0,0,0,0|3,0,0]=4 7507 B14R0.394 CCCCSCCNCCCSC(=O)C 2230a_100025743550_100000038929 [0,1,0,0,0,0|3,0,0]=4 7508 B14R0.394 CCCCSCCNCCOCC(=O)N 2230a_100025743550_100000076697 [0,1,0,0,0,0|3,0,0]=4 7509 B14R0.394 CCCCSCCOCCCCC(=O)C 34a_200000230436_100009817362 [0,1,0,0,0,0|2,0,0]=3 7510 B14R0.394 CCCCSCCOCCCCC(=O)C 7a_200000230436_100000735457 [0,1,0,0,0,0|2,0,0]=3 7511 B14R0.394 CCCCSCCOCCCOC(=O)C 34a_200000230436_100000042594 [0,1,0,0,0,0|3,0,0]=4 7512 B14R0.394 CCCCSCCOCCCOC(=O)C 7a_200000230436_100000042594 [0,1,0,0,0,0|3,0,0]=4 7513 B14R0.394 CCCCSCCOCCCSC(=O)C 34a_200000230436_100000038929 [0,1,0,0,0,0|3,0,0]=4 7514 B14R0.394 CCCCSCCOCCCSC(=O)C 7a_200000230436_100000038929 [0,1,0,0,0,0|3,0,0]=4 7515 B14R0.394 CCCCSCCOCCOCC(=O)N 34a_200000230436_100000076697 [0,1,0,0,0,0|3,0,0]=4 7516 B14R0.394 CCCCSCCOCCOCC(=O)N 7a_200000230436_100000076697 [0,1,0,0,0,0|3,0,0]=4 7517 B14R0.394 CCCOCCCNCCCCC(=O)C 34a_100011217757_100009817362 [0,1,0,0,0,0|2,0,0]=3 7518 B14R0.394 CCCOCCCNCCCOC(=O)C 34a_100011217757_100000042594 [0,1,0,0,0,0|3,0,0]=4 7519 B14R0.394 CCCOCCCNCCCSC(=O)C 2230a_100011217757_100000038929 [0,1,0,0,0,0|3,0,0]=4 7520 B14R0.394 CCCOCCCNCCCSC(=O)C 34a_100011217757_100000038929 [0,1,0,0,0,0|3,0,0]=4 7521 B14R0.394 CCCOCCCNCCOCC(=O)N 2230a_100011217757_100000076697 [0,1,0,0,0,0|3,0,0]=4 7522 B14R0.394 CCCOCCCNCCOCC(=O)N 34a_100011217757_100000076697 [0,1,0,0,0,0|3,0,0]=4 7523 B14R0.394 CCCOCCNCCCCCC(=O)N 2230a_100161115042_100009817443 [0,1,0,0,0,0|2,0,0]=3 7524 B14R0.394 CCCOCCNCCCCCC(=O)N 34a_100161115042_100009817443 [0,1,0,0,0,0|2,0,0]=3 7525 B14R0.394 CCCOCCNCCCCNC(=O)C 2230a_200011368371_100011215938 [0,1,0,0,0,0|3,0,0]=4 7526 B14R0.394 CCCOCCNCCCCNC(=O)C 34a_200011368371_100011215938 [0,1,0,0,0,0|3,0,0]=4 7527 B14R0.394 CCCOCCNCCCCOC(=O)C 34a_100161115042_100000033659 [0,1,0,0,0,0|3,0,0]=4 7528 B14R0.394 CCCOCCNCCCCSC(=O)C 2230a_100161115042_200010402107 [0,1,0,0,0,0|3,0,0]=4 7529 B14R0.394 CCCOCCNCCCCSC(=O)C 34a_100161115042_200010402107 [0,1,0,0,0,0|3,0,0]=4 7530 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000123541_100011215938 [0,1,0,0,0,0|2,0,0]=3 7531 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000752267_100009817443 [0,1,0,0,0,0|2,0,0]=3 7532 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000123541_100011215938 [0,1,0,0,0,0|2,0,0]=3 7533 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000752267_100009817443 [0,1,0,0,0,0|2,0,0]=3 7534 B14R0.394 CCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215938 [0,1,0,0,0,0|2,0,0]=3 7535 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000073216_100011215938 [0,1,0,0,0,0|3,0,0]=4 7536 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000752267_100000033659 [0,1,0,0,0,0|3,0,0]=4 7537 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000073216_100011215938 [0,1,0,0,0,0|3,0,0]=4 7538 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000752267_100000033659 [0,1,0,0,0,0|3,0,0]=4 7539 B14R0.394 CCCOCCOCCCCSC(=O)C 34a_100000752267_200010402107 [0,1,0,0,0,0|3,0,0]=4 7540 B14R0.394 CCCOCCOCCCCSC(=O)C 7a_100000752267_200010402107 [0,1,0,0,0,0|3,0,0]=4 7541 B14R0.394 CCCOCCOCCNCCC(=O)N 2230a_200011904461_100000744528 [0,1,0,0,0,0|3,0,0]=4 7542 B14R0.394 CCCOCCOCCNCCC(=O)N 34a_200011904461_100000731001 [0,1,0,0,0,0|3,0,0]=4 7543 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100009817443_100011215938 [0,1,0,0,0,0|2,0,0]=3 7544 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100011215938_100009817443 [0,1,0,0,0,0|2,0,0]=3 7545 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100000033659_100011215938 [0,1,0,0,0,0|3,0,0]=4 7546 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100011215938_100000033659 [0,1,0,0,0,0|3,0,0]=4 7547 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_100011215938_200010402107 [0,1,0,0,0,0|3,0,0]=4 7548 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_200010402107_100011215938 [0,1,0,0,0,0|3,0,0]=4 7549 B14R0.394 CCCSCCNCCCCCC(=O)N 2230a_100020603323_100009817443 [0,1,0,0,0,0|2,0,0]=3 7550 B14R0.394 CCCSCCNCCCCSC(=O)C 2230a_100020603323_200010402107 [0,1,0,0,0,0|3,0,0]=4 7551 B14R0.394 CCCSCCOCCCCCC(=O)N 34a_200000230433_100009817443 [0,1,0,0,0,0|2,0,0]=3 7552 B14R0.394 CCCSCCOCCCCCC(=O)N 7a_200000230433_100009817443 [0,1,0,0,0,0|2,0,0]=3 7553 B14R0.394 CCCSCCOCCCCOC(=O)C 34a_200000230433_100000033659 [0,1,0,0,0,0|3,0,0]=4 7554 B14R0.394 CCCSCCOCCCCOC(=O)C 7a_200000230433_100000033659 [0,1,0,0,0,0|3,0,0]=4 7555 B14R0.394 CCCSCCOCCCCSC(=O)C 34a_200000230433_200010402107 [0,1,0,0,0,0|3,0,0]=4 7556 B14R0.394 CCCSCCOCCCCSC(=O)C 7a_200000230433_200010402107 [0,1,0,0,0,0|3,0,0]=4 7557 B14R0.394 CCOCCCNCCCCCC(=O)N 2230a_100000210961_100009817443 [0,1,0,0,0,0|2,0,0]=3 7558 B14R0.394 CCOCCCNCCCCCC(=O)N 34a_100000210961_100009817443 [0,1,0,0,0,0|2,0,0]=3 7559 B14R0.394 CCOCCCNCCCCNC(=O)C 2230a_200011368371_100012232248 [0,1,0,0,0,0|3,0,0]=4 7560 B14R0.394 CCOCCCNCCCCNC(=O)C 34a_200011368371_100012232248 [0,1,0,0,0,0|3,0,0]=4 7561 B14R0.394 CCOCCCNCCCCOC(=O)C 34a_100000210961_100000033659 [0,1,0,0,0,0|3,0,0]=4 7562 B14R0.394 CCOCCCNCCCCSC(=O)C 2230a_100000210961_200010402107 [0,1,0,0,0,0|3,0,0]=4 7563 B14R0.394 CCOCCCNCCCCSC(=O)C 34a_100000210961_200010402107 [0,1,0,0,0,0|3,0,0]=4 7564 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000123541_100012232248 [0,1,0,0,0,0|2,0,0]=3 7565 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000757476_100009817443 [0,1,0,0,0,0|2,0,0]=3 7566 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000123541_100012232248 [0,1,0,0,0,0|2,0,0]=3 7567 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000757476_100009817443 [0,1,0,0,0,0|2,0,0]=3 7568 B14R0.394 CCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100012232248 [0,1,0,0,0,0|2,0,0]=3 7569 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000073216_100012232248 [0,1,0,0,0,0|3,0,0]=4 7570 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000757476_100000033659 [0,1,0,0,0,0|3,0,0]=4 7571 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000073216_100012232248 [0,1,0,0,0,0|3,0,0]=4 7572 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000757476_100000033659 [0,1,0,0,0,0|3,0,0]=4 7573 B14R0.394 CCOCCCOCCCCSC(=O)C 34a_100000757476_200010402107 [0,1,0,0,0,0|3,0,0]=4 7574 B14R0.394 CCOCCCOCCCCSC(=O)C 7a_100000757476_200010402107 [0,1,0,0,0,0|3,0,0]=4 7575 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100009817443_100012232248 [0,1,0,0,0,0|2,0,0]=3 7576 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100012232248_100009817443 [0,1,0,0,0,0|2,0,0]=3 7577 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100000033659_100012232248 [0,1,0,0,0,0|3,0,0]=4 7578 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100012232248_100000033659 [0,1,0,0,0,0|3,0,0]=4 7579 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_100012232248_200010402107 [0,1,0,0,0,0|3,0,0]=4 7580 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_200010402107_100012232248 [0,1,0,0,0,0|3,0,0]=4 7581 B14R0.394 CCOCCNCCCCCNC(=O)C 2230a_200012022750_100011215890 [0,1,0,0,0,0|3,0,0]=4 7582 B14R0.394 CCOCCNCCCCCNC(=O)C 34a_200012022750_100000210147 [0,1,0,0,0,0|3,0,0]=4 7583 B14R0.394 CCOCCNCCCCCOC(=O)C 2230a_102516460346_100009813381 [0,1,0,0,0,0|3,0,0]=4 7584 B14R0.394 CCOCCNCCCCCOC(=O)C 34a_102516460346_100000033007 [0,1,0,0,0,0|3,0,0]=4 7585 B14R0.394 CCOCCOCCCCCOC(=O)C 34a_100000210136_100000033007 [0,1,0,0,0,0|3,0,0]=4 7586 B14R0.394 CCOCCOCCCCCOC(=O)C 7a_100000210136_100000033007 [0,1,0,0,0,0|3,0,0]=4 7587 B14R0.394 CCOCCOCCNCCCC(=O)C 34a_100102712874_100000685027 [0,1,0,0,0,0|3,0,0]=4 7588 B14R0.394 CCOCCOCCNCCCC(=O)N 34a_100000739312_100011211534 [0,1,0,0,0,0|3,0,0]=4 7589 B14R0.394 CCOCCOCCNCCCC(=O)N 34a_100102712874_100102525003 [0,1,0,0,0,0|3,0,0]=4 7590 B14R0.394 CCOCCOCCOCCCC(=O)C 34a_100000210240_100000685027 [0,1,0,0,0,0|3,0,0]=4 7591 B14R0.394 CCOCCOCCOCCCC(=O)C 34a_100000759063_100011211534 [0,1,0,0,0,0|3,0,0]=4 7592 B14R0.394 CCOCCOCCOCCCC(=O)C 7a_100000210240_100011215641 [0,1,0,0,0,0|3,0,0]=4 7593 B14R0.394 CCOCCOCCOCCCC(=O)C 7a_100000759063_100011211534 [0,1,0,0,0,0|3,0,0]=4 7594 B14R0.394 CCOCCOCCOCCCC(=O)N 34a_100000210240_100102525003 [0,1,0,0,0,0|3,0,0]=4 7595 B14R0.394 CCOCCOCCOCCCC(=O)N 7a_100000210240_100102525003 [0,1,0,0,0,0|3,0,0]=4 7596 B14R0.394 CCOCCOCCSCCCC(=O)C 62a_100011211534_100011215641 [0,1,0,0,0,0|3,0,0]=4 7597 B14R0.394 CCOCCOCCSCCCC(=O)C 62a_100011215641_100011211534 [0,1,0,0,0,0|3,0,0]=4 7598 B14R0.394 CCOCCOCCSCCCC(=O)N 62a_100011211534_100102525003 [0,1,0,0,0,0|3,0,0]=4 7599 B14R0.394 CCOCCOCCSCCCC(=O)N 62a_100102525003_100011211534 [0,1,0,0,0,0|3,0,0]=4 7600 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000033007_100011215890 [0,1,0,0,0,0|3,0,0]=4 7601 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000210147_100000033007 [0,1,0,0,0,0|3,0,0]=4 7602 B14R0.394 CCSCCCOCCCCCC(=O)N 34a_100011216438_100009817443 [0,1,0,0,0,0|2,0,0]=3 7603 B14R0.394 CCSCCCOCCCCCC(=O)N 7a_100011216438_100009817443 [0,1,0,0,0,0|2,0,0]=3 7604 B14R0.394 CCSCCCOCCCCOC(=O)C 34a_100011216438_100000033659 [0,1,0,0,0,0|3,0,0]=4 7605 B14R0.394 CCSCCCOCCCCOC(=O)C 7a_100011216438_100000033659 [0,1,0,0,0,0|3,0,0]=4 7606 B14R0.394 CCSCCCOCCCCSC(=O)C 34a_100011216438_200010402107 [0,1,0,0,0,0|3,0,0]=4 7607 B14R0.394 CCSCCCOCCCCSC(=O)C 7a_100011216438_200010402107 [0,1,0,0,0,0|3,0,0]=4 7608 B14R0.394 CCSCCNCCCCCNC(=O)C 2230a_200012022750_100000757381 [0,1,0,0,0,0|3,0,0]=4 7609 B14R0.394 CCSCCNCCCCCNC(=O)C 34a_200012022750_100000757381 [0,1,0,0,0,0|3,0,0]=4 7610 B14R0.394 CCSCCNCCCCCOC(=O)C 2230a_100000106463_100009813381 [0,1,0,0,0,0|3,0,0]=4 7611 B14R0.394 CCSCCOCCCCCOC(=O)C 34a_100000212035_100000033007 [0,1,0,0,0,0|3,0,0]=4 7612 B14R0.394 CCSCCOCCCCCOC(=O)C 7a_100000212035_100000033007 [0,1,0,0,0,0|3,0,0]=4 7613 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000033007_100000757381 [0,1,0,0,0,0|3,0,0]=4 7614 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000757381_100000033007 [0,1,0,0,0,0|3,0,0]=4 7615 B14R0.394 CN(C)CCCCCCCCCCCO 2230a_100102631434_100009812471 [0,1,0,0,0,0|1,0,2]=4 7616 B14R0.394 CN(C)CCCCCCCCCCCO 269982a_100102631434_100009812471 [0,1,0,0,0,0|1,0,2]=4 7617 B14R0.394 CN(C)CCCCSCCCCCC=O 62a_100000139337_100000690147 [0,1,0,0,0,0|2,0,0]=3 7618 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [0,1,0,0,0,0|1,0,0]=2 7619 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [0,1,0,0,0,0|1,0,0]=2 7620 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [0,1,0,0,0,0|1,0,0]=2 7621 B14R0.394 CNCCCCCOCCCCC(=O)C 34a_100000722520_100009817362 [0,1,0,0,0,0|2,0,0]=3 7622 B14R0.394 CNCCCCCOCCCCC(C)C 34a_100000722520_100011216152 [0,1,0,0,0,0|3,0,0]=4 7623 B14R0.394 CNCCCCCOCCCOC(=O)C 34a_100000722520_100000042594 [0,1,0,0,0,0|3,0,0]=4 7624 B14R0.394 CNCCCCCOCCCSC(=O)C 34a_100000722520_100000038929 [0,1,0,0,0,0|3,0,0]=4 7625 B14R0.394 CNCCCCCOCCOCC(=O)N 34a_100000722520_100000076697 [0,1,0,0,0,0|3,0,0]=4 7626 B14R0.394 CNCCCOCCCCCOC(=O)C 34a_100000213112_100000033007 [0,1,0,0,0,0|3,0,0]=4 7627 B14R0.394 CNCCOCCOCCCCC(=O)C 34a_100000228057_100009817362 [0,1,0,0,0,0|3,0,0]=4 7628 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [0,1,0,0,0,0|1,0,0]=2 7629 B14R0.394 COCCCCCCNCCCC(=O)N 34a_100000739312_100011998445 [0,1,0,0,0,0|2,0,0]=3 7630 B14R0.394 COCCCCCCNCCCC(C)C 2230a_200000737386_100011998445 [0,1,0,0,0,0|3,0,0]=4 7631 B14R0.394 COCCCCCCNCCCC(C)C 34a_200000737386_100011998445 [0,1,0,0,0,0|3,0,0]=4 7632 B14R0.394 COCCCCCCNCCCS(=O)C 2230a_200000753449_100011998445 [0,1,0,0,0,0|3,0,0]=4 7633 B14R0.394 COCCCCCCNCCNC(=O)C 2230a_100000209853_100011998445 [0,1,0,0,0,0|3,0,0]=4 7634 B14R0.394 COCCCCCCNCCNC(=O)N 34a_100020590234_100011998445 [0,1,0,0,0,0|3,0,0]=4 7635 B14R0.394 COCCCCCCOCCCC(=O)C 34a_100000759063_100011998445 [0,1,0,0,0,0|2,0,0]=3 7636 B14R0.394 COCCCCCCOCCCC(=O)C 34a_200012092642_100000685027 [0,1,0,0,0,0|2,0,0]=3 7637 B14R0.394 COCCCCCCOCCCC(=O)C 7a_100000759063_100011998445 [0,1,0,0,0,0|2,0,0]=3 7638 B14R0.394 COCCCCCCOCCCC(=O)C 7a_200012092642_100011215641 [0,1,0,0,0,0|2,0,0]=3 7639 B14R0.394 COCCCCCCOCCCC(=O)N 34a_200012092642_100102525003 [0,1,0,0,0,0|2,0,0]=3 7640 B14R0.394 COCCCCCCOCCCC(=O)N 7a_200012092642_100102525003 [0,1,0,0,0,0|2,0,0]=3 7641 B14R0.394 COCCCCCCOCCCC(C)C 34a_100000210774_100011998445 [0,1,0,0,0,0|3,0,0]=4 7642 B14R0.394 COCCCCCCOCCCC(C)C 34a_200012092642_100011214892 [0,1,0,0,0,0|3,0,0]=4 7643 B14R0.394 COCCCCCCOCCCC(C)C 7a_100000210774_100011998445 [0,1,0,0,0,0|3,0,0]=4 7644 B14R0.394 COCCCCCCOCCCC(C)C 7a_200012092642_100011214892 [0,1,0,0,0,0|3,0,0]=4 7645 B14R0.394 COCCCCCCOCCCC(C)O 34a_200012092642_200000718107 [0,1,0,0,0,0|3,0,0]=4 7646 B14R0.394 COCCCCCCOCCCC(C)O 7a_200012092642_200000718107 [0,1,0,0,0,0|3,0,0]=4 7647 B14R0.394 COCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011998445 [0,1,0,0,0,0|3,0,0]=4 7648 B14R0.394 COCCCCCCOCCNC(=O)C 34a_100000158858_100011998445 [0,1,0,0,0,0|3,0,0]=4 7649 B14R0.394 COCCCCCCOCCNC(=O)C 7a_200012092642_100000189650 [0,1,0,0,0,0|3,0,0]=4 7650 B14R0.394 COCCCCCCOCCNC(=O)N 34a_100000181757_100011998445 [0,1,0,0,0,0|3,0,0]=4 7651 B14R0.394 COCCCCCCOCCNC(=O)N 7a_200012092642_200000034859 [0,1,0,0,0,0|3,0,0]=4 7652 B14R0.394 COCCCCCCOCCOC(=O)C 34a_200012092642_100009814007 [0,1,0,0,0,0|3,0,0]=4 7653 B14R0.394 COCCCCCCOCCOC(=O)C 7a_200012092642_100009814007 [0,1,0,0,0,0|3,0,0]=4 7654 B14R0.394 COCCCCCCOCCOC(=O)N 34a_200012092642_200011214921 [0,1,0,0,0,0|3,0,0]=4 7655 B14R0.394 COCCCCCCOCCOC(=O)N 7a_100000766696_100011998445 [0,1,0,0,0,0|3,0,0]=4 7656 B14R0.394 COCCCCCCOCCOC(=O)N 7a_200012092642_200011214921 [0,1,0,0,0,0|3,0,0]=4 7657 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011215641_100011998445 [0,1,0,0,0,0|2,0,0]=3 7658 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011998445_100011215641 [0,1,0,0,0,0|2,0,0]=3 7659 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100011998445_100102525003 [0,1,0,0,0,0|2,0,0]=3 7660 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100102525003_100011998445 [0,1,0,0,0,0|2,0,0]=3 7661 B14R0.394 COCCCCCCSCCCC(C)C 62a_100011214892_100011998445 [0,1,0,0,0,0|3,0,0]=4 7662 B14R0.394 COCCCCCCSCCCC(C)C 62a_100011998445_100011214892 [0,1,0,0,0,0|3,0,0]=4 7663 B14R0.394 COCCCCCCSCCCC(C)O 62a_100011998445_200000718107 [0,1,0,0,0,0|3,0,0]=4 7664 B14R0.394 COCCCCCCSCCCC(C)O 62a_200000718107_100011998445 [0,1,0,0,0,0|3,0,0]=4 7665 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100000189650_100011998445 [0,1,0,0,0,0|3,0,0]=4 7666 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100011998445_100000189650 [0,1,0,0,0,0|3,0,0]=4 7667 B14R0.394 COCCCCCCSCCNC(=O)N 62a_100011998445_200000034859 [0,1,0,0,0,0|3,0,0]=4 7668 B14R0.394 COCCCCCCSCCNC(=O)N 62a_200000034859_100011998445 [0,1,0,0,0,0|3,0,0]=4 7669 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100009814007_100011998445 [0,1,0,0,0,0|3,0,0]=4 7670 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100011998445_100009814007 [0,1,0,0,0,0|3,0,0]=4 7671 B14R0.394 COCCCCCCSCCOC(=O)N 62a_100011998445_200011214921 [0,1,0,0,0,0|3,0,0]=4 7672 B14R0.394 COCCCCCCSCCOC(=O)N 62a_200011214921_100011998445 [0,1,0,0,0,0|3,0,0]=4 7673 B14R0.394 COCCCCCNCCCCC(=O)C 34a_100000747528_100009817362 [0,1,0,0,0,0|2,0,0]=3 7674 B14R0.394 COCCCCCNCCCCC(C)C 2230a_100000747528_100011216152 [0,1,0,0,0,0|3,0,0]=4 7675 B14R0.394 COCCCCCNCCCCC(C)C 34a_100000747528_100011216152 [0,1,0,0,0,0|3,0,0]=4 7676 B14R0.394 COCCCCCNCCCOC(=O)C 34a_100000747528_100000042594 [0,1,0,0,0,0|3,0,0]=4 7677 B14R0.394 COCCCCCNCCCSC(=O)C 2230a_100000747528_100000038929 [0,1,0,0,0,0|3,0,0]=4 7678 B14R0.394 COCCCCCNCCCSC(=O)C 34a_100000747528_100000038929 [0,1,0,0,0,0|3,0,0]=4 7679 B14R0.394 COCCCCCNCCOCC(=O)N 2230a_100000747528_100000076697 [0,1,0,0,0,0|3,0,0]=4 7680 B14R0.394 COCCCCCNCCOCC(=O)N 34a_100000747528_100000076697 [0,1,0,0,0,0|3,0,0]=4 7681 B14R0.394 COCCCCNCCCCCC(C)C 2230a_100011290863_100000730899 [0,1,0,0,0,0|3,0,0]=4 7682 B14R0.394 COCCCCNCCCCCC(C)C 34a_100011290863_100000755781 [0,1,0,0,0,0|3,0,0]=4 7683 B14R0.394 COCCCCNCCCCNC(=O)C 2230a_200011368371_100000730899 [0,1,0,0,0,0|3,0,0]=4 7684 B14R0.394 COCCCCNCCCCNC(=O)C 34a_200011368371_100000755781 [0,1,0,0,0,0|3,0,0]=4 7685 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000123541_100000755781 [0,1,0,0,0,0|2,0,0]=3 7686 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000740925_100009817443 [0,1,0,0,0,0|2,0,0]=3 7687 B14R0.394 COCCCCOCCCCCC(=O)N 7a_100000123541_100000730899 [0,1,0,0,0,0|2,0,0]=3 7688 B14R0.394 COCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000730899 [0,1,0,0,0,0|2,0,0]=3 7689 B14R0.394 COCCCCOCCCCCC(C)C 34a_100000740925_100000210682 [0,1,0,0,0,0|3,0,0]=4 7690 B14R0.394 COCCCCOCCCCCC(C)C 34a_100011995859_100000755781 [0,1,0,0,0,0|3,0,0]=4 7691 B14R0.394 COCCCCOCCCCCC(C)C 7a_100011995859_100000730899 [0,1,0,0,0,0|3,0,0]=4 7692 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000073216_100000755781 [0,1,0,0,0,0|3,0,0]=4 7693 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000740925_100000033659 [0,1,0,0,0,0|3,0,0]=4 7694 B14R0.394 COCCCCOCCCCOC(=O)C 7a_100000073216_100000730899 [0,1,0,0,0,0|3,0,0]=4 7695 B14R0.394 COCCCCOCCCCSC(=O)C 34a_100000740925_200010402107 [0,1,0,0,0,0|3,0,0]=4 7696 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100000730899_100009817443 [0,1,0,0,0,0|2,0,0]=3 7697 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100009817443_100000730899 [0,1,0,0,0,0|2,0,0]=3 7698 B14R0.394 COCCCCSCCCCCC(C)C 62a_100000210682_100000730899 [0,1,0,0,0,0|3,0,0]=4 7699 B14R0.394 COCCCCSCCCCCC(C)C 62a_100000730899_100000210682 [0,1,0,0,0,0|3,0,0]=4 7700 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000033659_100000730899 [0,1,0,0,0,0|3,0,0]=4 7701 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000730899_100000033659 [0,1,0,0,0,0|3,0,0]=4 7702 B14R0.394 COCCCCSCCCCSC(=O)C 62a_100000730899_200010402107 [0,1,0,0,0,0|3,0,0]=4 7703 B14R0.394 COCCCCSCCCCSC(=O)C 62a_200010402107_100000730899 [0,1,0,0,0,0|3,0,0]=4 7704 B14R0.394 COCCCNCCCCCCC(C)C 2230a_100000211014_100000740836 [0,1,0,0,0,0|3,0,0]=4 7705 B14R0.394 COCCCNCCCCCCC(C)C 34a_100000211014_100000740836 [0,1,0,0,0,0|3,0,0]=4 7706 B14R0.394 COCCCNCCCCCNC(=O)C 2230a_200012022750_100000740836 [0,1,0,0,0,0|3,0,0]=4 7707 B14R0.394 COCCCNCCCCCNC(=O)C 34a_200012022750_100000740836 [0,1,0,0,0,0|3,0,0]=4 7708 B14R0.394 COCCCNCCCCCOC(=O)C 34a_100150723488_100000033007 [0,1,0,0,0,0|3,0,0]=4 7709 B14R0.394 COCCCOCCCCCOC(=O)C 34a_100000740835_100000033007 [0,1,0,0,0,0|3,0,0]=4 7710 B14R0.394 COCCCOCCCOCCC(=O)C 7a_200011215475_100000053229 [0,1,0,0,0,0|3,0,0]=4 7711 B14R0.394 COCCCOCCCOCCC(=O)N 34a_200011215475_100000731001 [0,1,0,0,0,0|3,0,0]=4 7712 B14R0.394 COCCCOCCCOCCC(=O)N 7a_200011215475_100000744528 [0,1,0,0,0,0|3,0,0]=4 7713 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000033007_100000709357 [0,1,0,0,0,0|3,0,0]=4 7714 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000709357_100000033007 [0,1,0,0,0,0|3,0,0]=4 7715 B14R0.394 COCCNCCCCCCNC(=O)C 2230a_200011996284_100011201679 [0,1,0,0,0,0|3,0,0]=4 7716 B14R0.394 COCCNCCCCCCNC(=O)C 34a_200011996284_100011201679 [0,1,0,0,0,0|3,0,0]=4 7717 B14R0.394 COCCOCCCCCCCC(C)C 34a_200000210741_100011201679 [0,1,0,0,0,0|3,0,0]=4 7718 B14R0.394 COCCOCCCCCCCC(C)C 7a_200000210741_100000233755 [0,1,0,0,0,0|3,0,0]=4 7719 B14R0.394 COCCOCCCNCCCC(=O)C 34a_100000206027_100000685027 [0,1,0,0,0,0|3,0,0]=4 7720 B14R0.394 COCCOCCCNCCCC(=O)N 34a_100000206027_100102525003 [0,1,0,0,0,0|3,0,0]=4 7721 B14R0.394 COCCOCCCNCCCC(=O)N 34a_100000739312_100011216529 [0,1,0,0,0,0|3,0,0]=4 7722 B14R0.394 COCCOCCCOCCCC(=O)C 34a_100000759063_100011216529 [0,1,0,0,0,0|3,0,0]=4 7723 B14R0.394 COCCOCCCOCCCC(=O)C 7a_100000759063_100011216529 [0,1,0,0,0,0|3,0,0]=4 7724 B14R0.394 COCCOCCCSCCCC(=O)C 62a_100011215641_100011216529 [0,1,0,0,0,0|3,0,0]=4 7725 B14R0.394 COCCOCCCSCCCC(=O)C 62a_100011216529_100011215641 [0,1,0,0,0,0|3,0,0]=4 7726 B14R0.394 COCCOCCCSCCCC(=O)N 62a_100011216529_100102525003 [0,1,0,0,0,0|3,0,0]=4 7727 B14R0.394 COCCOCCCSCCCC(=O)N 62a_100102525003_100011216529 [0,1,0,0,0,0|3,0,0]=4 7728 B14R0.394 COCCOCCNCCCCC(=O)C 34a_100000745349_100009817362 [0,1,0,0,0,0|3,0,0]=4 7729 B14R0.394 COCCOCCNCCCCC(=O)N 34a_100000696515_100000695917 [0,1,0,0,0,0|3,0,0]=4 7730 B14R0.394 COCCOCCOCCCCC(=O)C 34a_100011215163_100009817362 [0,1,0,0,0,0|3,0,0]=4 7731 B14R0.394 COCCOCCOCCCCC(=O)C 7a_100011215163_100000735457 [0,1,0,0,0,0|3,0,0]=4 7732 B14R0.394 COCCOCCOCCCCC(=O)N 34a_100012022536_100000695917 [0,1,0,0,0,0|3,0,0]=4 7733 B14R0.394 COCCOCCOCCCCC(=O)N 7a_100012022536_100000695917 [0,1,0,0,0,0|3,0,0]=4 7734 B14R0.394 COCCOCCSCCCCC(=O)C 62a_100000695917_100000735457 [0,1,0,0,0,0|3,0,0]=4 7735 B14R0.394 COCCOCCSCCCCC(=O)C 62a_100000735457_100000695917 [0,1,0,0,0,0|3,0,0]=4 7736 B14R0.394 COCCOCSCCCCCC(=O)N 62a_100000231047_100009817443 [0,1,0,0,0,0|3,0,0]=4 7737 B14R0.394 COCCOCSCCCCCC(=O)N 62a_100009817443_100000231047 [0,1,0,0,0,0|3,0,0]=4 7738 B14R0.394 CS(=O)CCCNCCCCCCCO 2230a_200000753449_100000760002 [0,1,0,0,0,0|3,0,0]=4 7739 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [0,1,0,0,0,0|1,0,0]=2 7740 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [0,1,0,0,0,0|1,0,0]=2 7741 B14R0.394 CSCCCCOCCCCCC(=O)N 34a_100011217163_100009817443 [0,1,0,0,0,0|2,0,0]=3 7742 B14R0.394 CSCCCCOCCCCCC(=O)N 7a_100011217163_100009817443 [0,1,0,0,0,0|2,0,0]=3 7743 B14R0.394 CSCCCCOCCCCCC(C)C 34a_100011217163_100000210682 [0,1,0,0,0,0|3,0,0]=4 7744 B14R0.394 CSCCCCOCCCCCC(C)C 7a_100011217163_100000210682 [0,1,0,0,0,0|3,0,0]=4 7745 B14R0.394 CSCCCCOCCCCOC(=O)C 34a_100011217163_100000033659 [0,1,0,0,0,0|3,0,0]=4 7746 B14R0.394 CSCCCCOCCCCOC(=O)C 7a_100011217163_100000033659 [0,1,0,0,0,0|3,0,0]=4 7747 B14R0.394 CSCCCCOCCCCSC(=O)C 34a_100011217163_200010402107 [0,1,0,0,0,0|3,0,0]=4 7748 B14R0.394 CSCCCCOCCCCSC(=O)C 7a_100011217163_200010402107 [0,1,0,0,0,0|3,0,0]=4 7749 B14R0.394 CSCCCNCCCCCOC(=O)C 2230a_100000749238_100009813381 [0,1,0,0,0,0|3,0,0]=4 7750 B14R0.394 CSCCCOCCCCCOC(=O)C 34a_100000690336_100000033007 [0,1,0,0,0,0|3,0,0]=4 7751 B14R0.394 CSCCCOCCCCCOC(=O)C 7a_100000690336_100000033007 [0,1,0,0,0,0|3,0,0]=4 7752 B14R0.394 CSCCNCCCCCCNC(=O)C 2230a_200011996284_100000751147 [0,1,0,0,0,0|3,0,0]=4 7753 B14R0.394 CSCCNCCCCCCNC(=O)C 34a_200011996284_100000212216 [0,1,0,0,0,0|3,0,0]=4 7754 B14R0.394 CSCCOCCCCCCCC(C)C 34a_200000210741_100000212216 [0,1,0,0,0,0|3,0,0]=4 7755 B14R0.394 CSCCOCCCCCCCC(C)C 7a_200000210741_100000212216 [0,1,0,0,0,0|3,0,0]=4 7756 B14R0.394 C[C@@H](Cl)COCCCCCCCCCO 34a_100016084084_100009813782 [0,1,0,0,0,0|1,0,2]=4 7757 B14R0.394 C[C@@H](N)CCOCCCCCCCCO 34a_100000706166_100000033203 [0,1,0,0,0,0|1,0,2]=4 7758 B14R0.394 C[C@@H](N)COCCCCCCCCCO 34a_100000737577_100009813782 [0,1,0,0,0,0|1,0,2]=4 7759 B14R0.394 C[C@@H](O)CNCCCCCCCCCO 2230a_100000078944_100009817552 [0,1,0,0,0,0|1,0,2]=4 7760 B14R0.394 C[C@@H](O)CNCCCCCCCCCO 34a_100000078944_100009817552 [0,1,0,0,0,0|1,0,2]=4 7761 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 34a_100009813782_100009817552 [0,1,0,0,0,0|2,0,1]=4 7762 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 7a_100009813782_100009817552 [0,1,0,0,0,0|2,0,1]=4 7763 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 34a_100009868337_100009817552 [0,1,0,0,0,0|2,0,1]=4 7764 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 7a_100009868337_100009817552 [0,1,0,0,0,0|2,0,1]=4 7765 B14R0.394 C[C@@H](O)COCCCCCCCCCN 34a_100000078944_100009817552 [0,1,0,0,0,0|2,0,1]=4 7766 B14R0.394 C[C@@H](O)CSCCCCCCCCCO 62a_100009813782_100009817552 [0,1,0,0,0,0|1,0,2]=4 7767 B14R0.394 C[C@@H](O)CSCCCCCCCCCO 62a_100009817552_100009813782 [0,1,0,0,0,0|1,0,2]=4 7768 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100009813337_100102525003 [0,1,0,0,0,0|2,0,1]=4 7769 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100102525003_100009813337 [0,1,0,0,0,0|2,0,1]=4 7770 B14R0.394 N#CCCCCCOCCCCC(=O)N 7a_100012022536_100009813376 [0,1,0,0,0,0|2,0,1]=4 7771 B14R0.394 N#CCCCCOCCCCCC(=O)N 7a_100000123541_100000211819 [0,1,0,0,0,0|2,0,1]=4 7772 B14R0.394 N#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000211819 [0,1,0,0,0,0|2,0,1]=4 7773 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100009817443_100000211819 [0,1,0,0,0,0|2,0,1]=4 7774 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100011219923_100009817443 [0,1,0,0,0,0|2,0,1]=4 7775 B14R0.394 NC(=O)CCCCCNCCCCCO 2230a_100000762737_100009817443 [0,1,0,0,0,0|2,0,0]=3 7776 B14R0.394 NC(=O)CCCCCNCCCCCO 34a_100000762737_100009817443 [0,1,0,0,0,0|2,0,0]=3 7777 B14R0.394 NC(=O)CCCCCNCCOCCO 2230a_100000211614_100009817443 [0,1,0,0,0,0|3,0,0]=4 7778 B14R0.394 NC(=O)CCCCCNCCOCCO 34a_100000211614_100009817443 [0,1,0,0,0,0|3,0,0]=4 7779 B14R0.394 NC(=O)CCCCCNCCSCCO 2230a_100011219999_100009817443 [0,1,0,0,0,0|3,0,0]=4 7780 B14R0.394 NC(=O)CCCCCOCCCCC=O 7a_100000123541_100000139335 [0,1,0,0,0,0|2,0,1]=4 7781 B14R0.394 NC(=O)CCCCCOCCCCCBr 34a_100000746331_100009817443 [0,1,0,0,0,0|2,0,0]=3 7782 B14R0.394 NC(=O)CCCCCOCCCCCBr 7a_100000746331_100009817443 [0,1,0,0,0,0|2,0,0]=3 7783 B14R0.394 NC(=O)CCCCCOCCCCCCl 34a_100000746330_100009817443 [0,1,0,0,0,0|2,0,0]=3 7784 B14R0.394 NC(=O)CCCCCOCCCCCCl 7a_100000746330_100009817443 [0,1,0,0,0,0|2,0,0]=3 7785 B14R0.394 NC(=O)CCCCCOCCCCCF 34a_100000123541_100000729378 [0,1,0,0,0,0|2,0,0]=3 7786 B14R0.394 NC(=O)CCCCCOCCCCCF 7a_100000123541_100000729378 [0,1,0,0,0,0|2,0,0]=3 7787 B14R0.394 NC(=O)CCCCCOCCCCCI 34a_200012148887_100009817443 [0,1,0,0,0,0|2,0,0]=3 7788 B14R0.394 NC(=O)CCCCCOCCCCCI 7a_200012148887_100009817443 [0,1,0,0,0,0|2,0,0]=3 7789 B14R0.394 NC(=O)CCCCCOCCCCCO 34a_100000123541_100000746330 [0,1,0,0,0,0|2,0,0]=3 7790 B14R0.394 NC(=O)CCCCCOCCCCCO 7a_100000123541_100000746330 [0,1,0,0,0,0|2,0,0]=3 7791 B14R0.394 NC(=O)CCCCCOCCOCCBr 34a_100000692535_100009817443 [0,1,0,0,0,0|3,0,0]=4 7792 B14R0.394 NC(=O)CCCCCOCCOCCBr 7a_100000692535_100009817443 [0,1,0,0,0,0|3,0,0]=4 7793 B14R0.394 NC(=O)CCCCCOCCOCCCl 34a_100011215305_100009817443 [0,1,0,0,0,0|3,0,0]=4 7794 B14R0.394 NC(=O)CCCCCOCCOCCCl 7a_100011215305_100009817443 [0,1,0,0,0,0|3,0,0]=4 7795 B14R0.394 NC(=O)CCCCCOCCOCCF 34a_200015357709_100009817443 [0,1,0,0,0,0|3,0,0]=4 7796 B14R0.394 NC(=O)CCCCCOCCOCCF 7a_200015357709_100009817443 [0,1,0,0,0,0|3,0,0]=4 7797 B14R0.394 NC(=O)CCCCCOCCOCCI 34a_100012149058_100009817443 [0,1,0,0,0,0|3,0,0]=4 7798 B14R0.394 NC(=O)CCCCCOCCOCCI 7a_100012149058_100009817443 [0,1,0,0,0,0|3,0,0]=4 7799 B14R0.394 NC(=O)CCCCCOCCOCCO 34a_100000123541_100000692535 [0,1,0,0,0,0|3,0,0]=4 7800 B14R0.394 NC(=O)CCCCCOCCOCCO 7a_100000123541_100011215305 [0,1,0,0,0,0|3,0,0]=4 7801 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100000139335_100009817443 [0,1,0,0,0,0|2,0,1]=4 7802 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100009817443_100000139335 [0,1,0,0,0,0|2,0,1]=4 7803 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100000729378_100009817443 [0,1,0,0,0,0|2,0,0]=3 7804 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100009817443_100000729378 [0,1,0,0,0,0|2,0,0]=3 7805 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100000746330_100009817443 [0,1,0,0,0,0|2,0,0]=3 7806 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100009817443_100000746330 [0,1,0,0,0,0|2,0,0]=3 7807 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100009817443_100011215305 [0,1,0,0,0,0|3,0,0]=4 7808 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100011215305_100009817443 [0,1,0,0,0,0|3,0,0]=4 7809 B14R0.394 NC(=O)CCCCNCCCCCCF 34a_100000696515_100015922095 [0,1,0,0,0,0|2,0,0]=3 7810 B14R0.394 NC(=O)CCCCNCCCCCCO 34a_100000696515_100000766143 [0,1,0,0,0,0|2,0,0]=3 7811 B14R0.394 NC(=O)CCCCOCCCCCC=O 7a_100012022536_100000139337 [0,1,0,0,0,0|2,0,1]=4 7812 B14R0.394 NC(=O)CCCCOCCCCCCF 34a_100012022536_100015922095 [0,1,0,0,0,0|2,0,0]=3 7813 B14R0.394 NC(=O)CCCCOCCCCCCF 7a_100012022536_100015922095 [0,1,0,0,0,0|2,0,0]=3 7814 B14R0.394 NC(=O)CCCCOCCCCCCO 34a_100012022536_100000766143 [0,1,0,0,0,0|2,0,0]=3 7815 B14R0.394 NC(=O)CCCCOCCCCCCO 7a_100012022536_100000766143 [0,1,0,0,0,0|2,0,0]=3 7816 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100000739312_100000760002 [0,1,0,0,0,0|2,0,0]=3 7817 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100011996573_100102525003 [0,1,0,0,0,0|2,0,0]=3 7818 B14R0.394 NC(=O)CCCNCCCOCCCO 34a_100011310245_100102525003 [0,1,0,0,0,0|3,0,0]=4 7819 B14R0.394 NC(=O)CCCOCCCCCCCBr 34a_100000760002_100102525003 [0,1,0,0,0,0|2,0,0]=3 7820 B14R0.394 NC(=O)CCCOCCCCCCCBr 7a_100000760002_100102525003 [0,1,0,0,0,0|2,0,0]=3 7821 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100000760002_100102525003 [0,1,0,0,0,0|2,0,0]=3 7822 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100102525003_100000760002 [0,1,0,0,0,0|2,0,0]=3 7823 B14R0.394 NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000744528 [0,1,0,0,0,0|2,0,0]=3 7824 B14R0.394 NC(=O)CCNCCCCCCCCO 34a_102515433106_100000731001 [0,1,0,0,0,0|2,0,0]=3 7825 B14R0.394 NC(=O)CCOCCCCCCCCBr 34a_100009813846_100000731001 [0,1,0,0,0,0|2,0,0]=3 7826 B14R0.394 NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000744528 [0,1,0,0,0,0|2,0,0]=3 7827 B14R0.394 NC(=O)CCOCCCCCCCCCl 34a_100000033203_100000731001 [0,1,0,0,0,0|2,0,0]=3 7828 B14R0.394 NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000744528 [0,1,0,0,0,0|2,0,0]=3 7829 B14R0.394 NC(=O)CCOCCCCCCCCO 34a_100000757172_100000033203 [0,1,0,0,0,0|2,0,0]=3 7830 B14R0.394 NC(=O)CCOCCCCCCCCO 7a_100000757172_100000033203 [0,1,0,0,0,0|2,0,0]=3 7831 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000033203_100000744528 [0,1,0,0,0,0|2,0,0]=3 7832 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000744528_100000033203 [0,1,0,0,0,0|2,0,0]=3 7833 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747473 [0,1,0,0,0,0|2,0,0]=3 7834 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000711301_100009813782 [0,1,0,0,0,0|2,0,0]=3 7835 B14R0.394 NC(=O)CNCCCCCCCCCO 34a_100000078944_100000187820 [0,1,0,0,0,0|2,0,0]=3 7836 B14R0.394 NC(=O)COCCCCCCCCCBr 34a_100009813782_100000187820 [0,1,0,0,0,0|2,0,0]=3 7837 B14R0.394 NC(=O)COCCCCCCCCCBr 7a_100009813782_100000187820 [0,1,0,0,0,0|2,0,0]=3 7838 B14R0.394 NC(=O)COCCCCCCCCCCl 34a_100009868337_100000187820 [0,1,0,0,0,0|2,0,0]=3 7839 B14R0.394 NC(=O)COCCCCCCCCCCl 7a_100009868337_100000187820 [0,1,0,0,0,0|2,0,0]=3 7840 B14R0.394 NC(=O)COCCNCCCCCCO 2230a_100000686447_100000076697 [0,1,0,0,0,0|3,0,0]=4 7841 B14R0.394 NC(=O)COCCNCCCCCCO 34a_100000686447_100000076697 [0,1,0,0,0,0|3,0,0]=4 7842 B14R0.394 NC(=O)COCCOCCCCCCBr 34a_100011215345_100000076697 [0,1,0,0,0,0|3,0,0]=4 7843 B14R0.394 NC(=O)COCCOCCCCCCBr 7a_100011215345_100000076697 [0,1,0,0,0,0|3,0,0]=4 7844 B14R0.394 NC(=O)COCCOCCCCCCCl 34a_100000766143_100000076697 [0,1,0,0,0,0|3,0,0]=4 7845 B14R0.394 NC(=O)COCCOCCCCCCCl 7a_100000766143_100000076697 [0,1,0,0,0,0|3,0,0]=4 7846 B14R0.394 NC(=O)COCCOCCCCCCF 34a_100000732779_100000076697 [0,1,0,0,0,0|3,0,0]=4 7847 B14R0.394 NC(=O)COCCOCCCCCCF 7a_100000732779_100000076697 [0,1,0,0,0,0|3,0,0]=4 7848 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100000076697_100015922095 [0,1,0,0,0,0|3,0,0]=4 7849 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100015922095_100000076697 [0,1,0,0,0,0|3,0,0]=4 7850 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000076697_100000766143 [0,1,0,0,0,0|3,0,0]=4 7851 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000766143_100000076697 [0,1,0,0,0,0|3,0,0]=4 7852 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100000747473_100009813782 [0,1,0,0,0,0|2,0,0]=3 7853 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100009813782_100000747473 [0,1,0,0,0,0|2,0,0]=3 7854 B14R0.394 NC(=O)NCCNCCCCCCCO 2230a_100011996573_200000034859 [0,1,0,0,0,0|3,0,0]=4 7855 B14R0.394 NC(=O)NCCNCCCCCCCO 34a_100020590234_100000760002 [0,1,0,0,0,0|3,0,0]=4 7856 B14R0.394 NC(=O)NCCOCCCCCCCBr 7a_100000760002_200000034859 [0,1,0,0,0,0|3,0,0]=4 7857 B14R0.394 NC(=O)NCCOCCCCCCCO 34a_100000181757_100000760002 [0,1,0,0,0,0|3,0,0]=4 7858 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_100000760002_200000034859 [0,1,0,0,0,0|3,0,0]=4 7859 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_200000034859_100000760002 [0,1,0,0,0,0|3,0,0]=4 7860 B14R0.394 NC(=O)OCCNCCCCCCCO 34a_100011996573_200011214921 [0,1,0,0,0,0|3,0,0]=4 7861 B14R0.394 NC(=O)OCCOCCCCCCCBr 34a_100000760002_200011214921 [0,1,0,0,0,0|3,0,0]=4 7862 B14R0.394 NC(=O)OCCOCCCCCCCBr 7a_100000760002_200011214921 [0,1,0,0,0,0|3,0,0]=4 7863 B14R0.394 NC(=O)OCCOCCCCCCCO 7a_100000766696_100000760002 [0,1,0,0,0,0|3,0,0]=4 7864 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_100000760002_200011214921 [0,1,0,0,0,0|3,0,0]=4 7865 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_200011214921_100000760002 [0,1,0,0,0,0|3,0,0]=4 7866 B14R0.394 NCCCCCCCCCOCC(=O)N 34a_100000078944_100000187820 [0,1,0,0,0,0|2,0,0]=3 7867 B14R0.394 NCCCCCCCCCOCC(=O)[O-] 34a_100000078944_100020667443 [0,1,0,0,0,0|2,0,0]=3 7868 B14R0.394 NCCCCCCCCCOC[N+](=O)[O-] 34a_100000078944_100000761209 [0,1,0,0,0,0|3,0,0]=4 7869 B14R0.394 NCCCCCCCCOCCC(=O)N 34a_102515433106_100000731001 [0,1,0,0,0,0|2,0,0]=3 7870 B14R0.394 NCCCCCCCOCCCC(=O)N 34a_100011996573_100102525003 [0,1,0,0,0,0|2,0,0]=3 7871 B14R0.394 NCCCCCCCOCCOC(=O)N 34a_100011996573_200011214921 [0,1,0,0,0,0|3,0,0]=4 7872 B14R0.394 NCCCCCCOCCOCC(=O)N 34a_100000686447_100000076697 [0,1,0,0,0,0|3,0,0]=4 7873 B14R0.394 NCCCCCOCCCCCC(=O)N 34a_100000762737_100009817443 [0,1,0,0,0,0|2,0,0]=3 7874 B14R0.394 NCCCOCCCOCCCC(=O)N 34a_100011310245_100102525003 [0,1,0,0,0,0|3,0,0]=4 7875 B14R0.394 NCCNCCCCCOCCC(=O)N 34a_103619048469_100000731001 [0,1,0,0,0,0|3,0,0]=4 7876 B14R0.394 NCCOCCOCCCCCC(=O)N 34a_100000211614_100009817443 [0,1,0,0,0,0|3,0,0]=4 7877 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [0,1,0,0,0,0|2,0,0]=3 7878 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [0,1,0,0,0,0|3,0,0]=4 7879 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [0,1,0,0,0,0|3,0,0]=4 7880 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [0,1,0,0,0,0|3,0,0]=4 7881 B14R0.394 O=C([O-])CCCCCOCCCCCF 7a_100102619762_100000729378 [0,1,0,0,0,0|2,0,0]=3 7882 B14R0.394 O=C([O-])CCCCCOCCCCCO 7a_100102619762_100000746330 [0,1,0,0,0,0|2,0,0]=3 7883 B14R0.394 O=C([O-])CCCCCOCCOCCO 7a_100102619762_100011215305 [0,1,0,0,0,0|3,0,0]=4 7884 B14R0.394 O=C([O-])CNCCCCCCCCCO 34a_100000078944_100020667443 [0,1,0,0,0,0|2,0,0]=3 7885 B14R0.394 O=C([O-])COCCCCCCCCCBr 34a_100009813782_100020667443 [0,1,0,0,0,0|2,0,0]=3 7886 B14R0.394 O=C([O-])COCCCCCCCCCCl 34a_100009868337_100020667443 [0,1,0,0,0,0|2,0,0]=3 7887 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100009813782_100020667443 [0,1,0,0,0,0|2,0,0]=3 7888 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100020667443_100009813782 [0,1,0,0,0,0|2,0,0]=3 7889 B14R0.394 O=CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000139337 [0,1,0,0,0,0|3,0,0]=4 7890 B14R0.394 O=CCCCCCOCCOCC(F)F 7a_100000704375_100000139337 [0,1,0,0,0,0|3,0,0]=4 7891 B14R0.394 O=CCCCCCSCCCCB(O)O 62a_100000139337_200009817182 [0,1,0,0,0,0|3,0,0]=4 7892 B14R0.394 O=CCCCCCSCCCCB(O)O 62a_200009817182_100000139337 [0,1,0,0,0,0|3,0,0]=4 7893 B14R0.394 O=CCCCCCSCCOCC(F)F 62a_100000139337_200012177212 [0,1,0,0,0,0|3,0,0]=4 7894 B14R0.394 O=CCCCCCSCCOCC(F)F 62a_200012177212_100000139337 [0,1,0,0,0,0|3,0,0]=4 7895 B14R0.394 O=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139335 [0,1,0,0,0,0|2,0,1]=4 7896 B14R0.394 O=CCCCCSCCCCCB(O)O 62a_100000139335_200009817188 [0,1,0,0,0,0|3,0,0]=4 7897 B14R0.394 O=CCCCCSCCCCCB(O)O 62a_200009817188_100000139335 [0,1,0,0,0,0|3,0,0]=4 7898 B14R0.394 O=CCCCSCCCCCCB(O)O 62a_100009817187_200011292268 [0,1,0,0,0,0|3,0,0]=4 7899 B14R0.394 O=CCCCSCCCCCCB(O)O 62a_200011292268_100009817187 [0,1,0,0,0,0|3,0,0]=4 7900 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 34a_200015379883_100015922095 [0,1,0,0,0,0|3,0,0]=4 7901 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 7a_200015379883_100015922095 [0,1,0,0,0,0|3,0,0]=4 7902 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 34a_200015379883_100000766143 [0,1,0,0,0,0|3,0,0]=4 7903 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 7a_200015379883_100000766143 [0,1,0,0,0,0|3,0,0]=4 7904 B14R0.394 O=[N+]([O-])CCCOCCCCCCCO 34a_200000037920_100000760002 [0,1,0,0,0,0|3,0,0]=4 7905 B14R0.394 O=[N+]([O-])CNCCCCCCCCCO 34a_100000078944_100000761209 [0,1,0,0,0,0|3,0,0]=4 7906 B14R0.394 O=[N+]([O-])COCCCCCCCCCBr 34a_100009813782_100000761209 [0,1,0,0,0,0|3,0,0]=4 7907 B14R0.394 O=[N+]([O-])COCCCCCCCCCCl 34a_100009868337_100000761209 [0,1,0,0,0,0|3,0,0]=4 7908 B14R0.394 O=[N+]([O-])CSCCCCCCCCCO 62a_100009813782_100000761209 [0,1,0,0,0,0|3,0,0]=4 7909 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [0,1,0,0,0,0|1,0,0]=2 7910 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [0,1,0,0,0,0|1,0,0]=2 7911 B14R0.493 C#CCCC(=O)CCCCCCCCC 1458a_100000210558_100000753159 [0,1,0,0,0,0|1,0,2]=4 7912 B14R0.493 C#CCCC(=O)CCCCCCCCC 1458a_100000692101_100000210670 [0,1,0,0,0,0|1,0,2]=4 7913 B14R0.493 C#CCCCCCCCC(=O)CCCC 1458a_100000087357_100000210211 [0,1,0,0,0,0|1,0,2]=4 7914 B14R0.493 C#CCCCCCCCC(=O)CCCC 1458a_100000210183_100153394163 [0,1,0,0,0,0|1,0,2]=4 7915 B14R0.493 C#CCCCCCCCN(C)CCCC 2230a_100000207549_100153394163 [0,1,0,0,0,0|2,0,1]=4 7916 B14R0.493 C#CCCCCCCCN(C)CCCC 269982a_100000207549_100153394163 [0,1,0,0,0,0|2,0,1]=4 7917 B14R0.493 C#CCCCCCCNC(C)CCCC 2230a_100000126638_100012276617 [0,1,0,0,0,0|2,0,1]=4 7918 B14R0.493 C#CCCCCCCOC(C)CCCC 34a_100000687866_100012276617 [0,1,0,0,0,0|2,0,1]=4 7919 B14R0.493 C#CCCCCCCOC(C)CCCC 34a_100011217361_200011215066 [0,1,0,0,0,0|2,0,1]=4 7920 B14R0.493 C#CCCCCCCOC(C)CCCC 7a_100000687866_100012276617 [0,1,0,0,0,0|2,0,1]=4 7921 B14R0.493 C#CCCCCCCOC(C)CCCC 7a_100011217361_200011215066 [0,1,0,0,0,0|2,0,1]=4 7922 B14R0.493 C#CCCCCCCSC(C)CCCC 62a_100012276617_200011215066 [0,1,0,0,0,0|2,0,1]=4 7923 B14R0.493 C#CCCCCCCSC(C)CCCC 62a_200011215066_100012276617 [0,1,0,0,0,0|2,0,1]=4 7924 B14R0.493 C#CCCCCCOCC(C)CCCC 34a_100011995851_100012094781 [0,1,0,0,0,0|2,0,1]=4 7925 B14R0.493 C#CCCCCCOCC(C)CCCC 7a_100011995851_100012094781 [0,1,0,0,0,0|2,0,1]=4 7926 B14R0.493 C#CCCCCCOC[C@@H](N)CCCC 34a_100011934283_100012094781 [0,1,0,0,0,0|2,0,1]=4 7927 B14R0.493 C#CCCN(C)CCCCCCCCC 2230a_100000232482_100000688953 [0,1,0,0,0,0|2,0,1]=4 7928 B14R0.493 C#CCCN(C)CCCCCCCCC 269982a_100000232482_100000730999 [0,1,0,0,0,0|2,0,1]=4 7929 B14R0.493 C#CCCOCCCCC(C)CCCC 34a_200011021034_100000688953 [0,1,0,0,0,0|2,0,1]=4 7930 B14R0.493 C#CCCOCCCCC(C)CCCC 7a_200011021034_100000688953 [0,1,0,0,0,0|2,0,1]=4 7931 B14R0.493 C#CCOC(C)CCCCCCCCC 34a_100011218016_100000184674 [0,1,0,0,0,0|2,0,1]=4 7932 B14R0.493 C#CCOC(C)CCCCCCCCC 7a_100011218016_100000038162 [0,1,0,0,0,0|2,0,1]=4 7933 B14R0.493 C/C=C/CC(=O)CCCCCCCCC 1458a_100000210558_100102629194 [0,1,0,0,0,0|1,0,2]=4 7934 B14R0.493 C/C=C/CN(C)CCCCCCCCC 269982a_100000232482_100102629194 [0,1,0,0,0,0|2,0,1]=4 7935 B14R0.493 C/C=C/COCCCCC(C)CCCC 34a_200011021034_100102629194 [0,1,0,0,0,0|2,0,1]=4 7936 B14R0.493 C/C=C/COCCCCC(C)CCCC 7a_200011021034_100102629194 [0,1,0,0,0,0|2,0,1]=4 7937 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000210558_100000754431 [0,1,0,0,0,0|1,0,1]=3 7938 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000749702_100000210670 [0,1,0,0,0,0|1,0,1]=3 7939 B14R0.493 C=CCCC(=O)CCCCCCCCO 1458a_100000749702_100000033203 [0,1,0,0,0,0|2,0,1]=4 7940 B14R0.493 C=CCCC(=O)NCCCCCCCC 11a_100000229939_100000749702 [0,1,0,0,0,0|2,0,1]=4 7941 B14R0.493 C=CCCC(=O)NCCCCCCCC 1626a_100000229939_100000749702 [0,1,0,0,0,0|2,0,1]=4 7942 B14R0.493 C=CCCC(=O)NCCCCCCCC 240690a_100000229939_100000749702 [0,1,0,0,0,0|2,0,1]=4 7943 B14R0.493 C=CCCC(=O)NCCCCCCCC 527a_100000229939_100000749702 [0,1,0,0,0,0|2,0,1]=4 7944 B14R0.493 C=CCCC(C)NCCCCCCCC 270004a_100000229939_100000762624 [0,1,0,0,0,0|2,0,0]=3 7945 B14R0.493 C=CCCC(C)NCCCCCCCO 270004a_100011996573_100000762624 [0,1,0,0,0,0|3,0,0]=4 7946 B14R0.493 C=CCCC(C)NCCCOCCCC 270004a_200000211371_100000762624 [0,1,0,0,0,0|3,0,0]=4 7947 B14R0.493 C=CCCC(C)OCCCCCCCC 34a_100000765329_100000210759 [0,1,0,0,0,0|2,0,0]=3 7948 B14R0.493 C=CCCC(C)OCCCCCCCC 7a_100000765329_100000210759 [0,1,0,0,0,0|2,0,0]=3 7949 B14R0.493 C=CCCC(C)OCCCCCCCO 34a_100000765329_100000760002 [0,1,0,0,0,0|3,0,0]=4 7950 B14R0.493 C=CCCC(C)OCCCCCCCO 7a_100000765329_100000760002 [0,1,0,0,0,0|3,0,0]=4 7951 B14R0.493 C=CCCC(C)OCCCCCCOC 34a_100000765329_100011998445 [0,1,0,0,0,0|3,0,0]=4 7952 B14R0.493 C=CCCC(C)OCCCCCCOC 7a_100000765329_100011998445 [0,1,0,0,0,0|3,0,0]=4 7953 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100000210183_100012355270 [0,1,0,0,0,0|1,0,1]=3 7954 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100011216160_100000210211 [0,1,0,0,0,0|1,0,1]=3 7955 B14R0.493 C=CCCCCCCCC(=O)CCCF 1458a_100011216160_100011934791 [0,1,0,0,0,0|2,0,1]=4 7956 B14R0.493 C=CCCCCCCCC(=O)CCCO 1458a_100011216160_100011215043 [0,1,0,0,0,0|2,0,1]=4 7957 B14R0.493 C=CCCCCCCCC(=O)CCOC 1458a_100000749529_100012355270 [0,1,0,0,0,0|2,0,1]=4 7958 B14R0.493 C=CCCCCCCCC(=O)CCOC 1458a_100011216160_100000233755 [0,1,0,0,0,0|2,0,1]=4 7959 B14R0.493 C=CCCCCCCCC(=O)CCSC 1458a_100000174002_100012355270 [0,1,0,0,0,0|2,0,1]=4 7960 B14R0.493 C=CCCCCCCCC(=O)CCSC 1458a_100011216160_100000751147 [0,1,0,0,0,0|2,0,1]=4 7961 B14R0.493 C=CCCCCCCCC(=O)COCC 1458a_100000211967_100012355270 [0,1,0,0,0,0|2,0,1]=4 7962 B14R0.493 C=CCCCCCCCC(=O)CSCC 1458a_100000230394_100012355270 [0,1,0,0,0,0|2,0,1]=4 7963 B14R0.493 C=CCCCCCCCC(=O)NCCC 11a_100020643023_100011216160 [0,1,0,0,0,0|2,0,1]=4 7964 B14R0.493 C=CCCCCCCCC(=O)NCCC 1626a_100020643023_100011216160 [0,1,0,0,0,0|2,0,1]=4 7965 B14R0.493 C=CCCCCCCCC(=O)NCCC 240690a_100020643023_100011216160 [0,1,0,0,0,0|2,0,1]=4 7966 B14R0.493 C=CCCCCCCCC(=O)NCCC 527a_100020643023_100011216160 [0,1,0,0,0,0|2,0,1]=4 7967 B14R0.493 C=CCCCCCCCN(C)CCCC 2230a_100000207549_100012355270 [0,1,0,0,0,0|2,0,0]=3 7968 B14R0.493 C=CCCCCCCCN(C)CCCC 269982a_100000207549_100012355270 [0,1,0,0,0,0|2,0,0]=3 7969 B14R0.493 C=CCCCCCCCN(C)CCCO 2230a_100000213112_100012355270 [0,1,0,0,0,0|3,0,0]=4 7970 B14R0.493 C=CCCCCCCCN(C)CCCO 269982a_100000213112_100012355270 [0,1,0,0,0,0|3,0,0]=4 7971 B14R0.493 C=CCCCCCCCN(C)CCOC 2230a_100000743101_100012355270 [0,1,0,0,0,0|3,0,0]=4 7972 B14R0.493 C=CCCCCCCCN(C)CCOC 269982a_100000743101_100012355270 [0,1,0,0,0,0|3,0,0]=4 7973 B14R0.493 C=CCCCCCCCN(C)CCSC 2230a_100000686725_100012355270 [0,1,0,0,0,0|3,0,0]=4 7974 B14R0.493 C=CCCCCCCCN(C)CCSC 269982a_100000686725_100012355270 [0,1,0,0,0,0|3,0,0]=4 7975 B14R0.493 C=CCCCCCCNC(C)CCCC 2230a_100000126638_100011215473 [0,1,0,0,0,0|2,0,0]=3 7976 B14R0.493 C=CCCCCCCOC(C)CCCC 34a_100000687866_100011215473 [0,1,0,0,0,0|2,0,0]=3 7977 B14R0.493 C=CCCCCCCOC(C)CCCC 34a_200011216477_200011215066 [0,1,0,0,0,0|2,0,0]=3 7978 B14R0.493 C=CCCCCCCOC(C)CCCC 7a_100000687866_100011215473 [0,1,0,0,0,0|2,0,0]=3 7979 B14R0.493 C=CCCCCCCOC(C)CCCC 7a_200011216477_200011215066 [0,1,0,0,0,0|2,0,0]=3 7980 B14R0.493 C=CCCCCCCOC(C)CCCCl 34a_200000718107_100011215473 [0,1,0,0,0,0|3,0,0]=4 7981 B14R0.493 C=CCCCCCCOC(C)CCCCl 7a_200000718107_100011215473 [0,1,0,0,0,0|3,0,0]=4 7982 B14R0.493 C=CCCCCCCOC(C)COCC 34a_100000718985_100011215473 [0,1,0,0,0,0|3,0,0]=4 7983 B14R0.493 C=CCCCCCCOC(C)COCC 7a_100000718985_100011215473 [0,1,0,0,0,0|3,0,0]=4 7984 B14R0.493 C=CCCCCCCSC(C)CCCC 62a_100011215473_200011215066 [0,1,0,0,0,0|2,0,0]=3 7985 B14R0.493 C=CCCCCCCSC(C)CCCC 62a_200011215066_100011215473 [0,1,0,0,0,0|2,0,0]=3 7986 B14R0.493 C=CCCCCCNCC(C)OCCC 2230a_100015185124_100000700193 [0,1,0,0,0,0|3,0,0]=4 7987 B14R0.493 C=CCCCCCNCC(C)OCCC 34a_100015185124_100000700193 [0,1,0,0,0,0|3,0,0]=4 7988 B14R0.493 C=CCCCCCNCC(O)COCC 2230a_102515437182_100000700193 [0,1,0,0,0,0|3,0,0]=4 7989 B14R0.493 C=CCCCCCNCC(O)COCC 34a_102515437182_100000700193 [0,1,0,0,0,0|3,0,0]=4 7990 B14R0.493 C=CCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000700193 [0,1,0,0,0,0|3,0,0]=4 7991 B14R0.493 C=CCCCCCNC[C@H](C)CCCO 34a_100160569302_100000700193 [0,1,0,0,0,0|3,0,0]=4 7992 B14R0.493 C=CCCCCCOCC(C)CCCC 34a_100011995851_100000700193 [0,1,0,0,0,0|2,0,0]=3 7993 B14R0.493 C=CCCCCCOCC(C)CCCC 7a_100011995851_100000700193 [0,1,0,0,0,0|2,0,0]=3 7994 B14R0.493 C=CCCCCCOC[C@@H](N)CCCC 34a_100011934283_100000700193 [0,1,0,0,0,0|2,0,0]=3 7995 B14R0.493 C=CCCCCCOC[C@@H](N)CCSC 34a_100011827619_100000700193 [0,1,0,0,0,0|3,0,0]=4 7996 B14R0.493 C=CCCN(C)CCCCCCCCC 2230a_100000232482_100000754431 [0,1,0,0,0,0|2,0,0]=3 7997 B14R0.493 C=CCCN(C)CCCCCCCCC 2230a_100020639649_100011214924 [0,1,0,0,0,0|2,0,0]=3 7998 B14R0.493 C=CCCN(C)CCCCCCCCC 269982a_100000232482_100000754431 [0,1,0,0,0,0|2,0,0]=3 7999 B14R0.493 C=CCCN(C)CCCCCCCCC 269982a_100020639649_100000210670 [0,1,0,0,0,0|2,0,0]=3 8000 B14R0.493 C=CCCN(C)CCCCCCCCO 2230a_100020639649_100000033203 [0,1,0,0,0,0|3,0,0]=4 8001 B14R0.493 C=CCCN(C)CCCCCCCCO 269982a_100020639649_100000033203 [0,1,0,0,0,0|3,0,0]=4 8002 B14R0.493 C=CCCOCCCCC(C)CCCC 34a_200011021034_100000754431 [0,1,0,0,0,0|2,0,0]=3 8003 B14R0.493 C=CCCOCCCCC(C)CCCC 7a_200011021034_100000754431 [0,1,0,0,0,0|2,0,0]=3 8004 B14R0.493 C=CCNC(=O)CCCCCCCCC 1626a_100020586998_100000210558 [0,1,0,0,0,0|2,0,1]=4 8005 B14R0.493 C=CCNC(=O)CCCCCCCCC 240690a_100020586998_100000210558 [0,1,0,0,0,0|2,0,1]=4 8006 B14R0.493 C=CCNC(=O)CCCCCCCCC 527a_100020586998_100000210558 [0,1,0,0,0,0|2,0,1]=4 8007 B14R0.493 C=CCNC(C)CCCCCCCCC 270004a_100020586998_100011215753 [0,1,0,0,0,0|2,0,0]=3 8008 B14R0.493 C=CCOC(C)CCCCCCCCC 34a_100011218016_100015514636 [0,1,0,0,0,0|2,0,0]=3 8009 B14R0.493 C=CCOC(C)CCCCCCCCC 7a_100011218016_100015514636 [0,1,0,0,0,0|2,0,0]=3 8010 B14R0.493 CC=CCC(=O)CCCCCCCCC 1458a_100000210558_100000070051 [0,1,0,0,0,0|1,0,2]=4 8011 B14R0.493 CC=CCC(=O)CCCCCCCCC 1458a_100121576822_100000210670 [0,1,0,0,0,0|1,0,2]=4 8012 B14R0.493 CC=CCN(C)CCCCCCCCC 2230a_100000232482_100000070051 [0,1,0,0,0,0|2,0,1]=4 8013 B14R0.493 CC=CCOCCCCC(C)CCCC 34a_200011021034_100000070051 [0,1,0,0,0,0|2,0,1]=4 8014 B14R0.493 CC=CCOCCCCC(C)CCCC 7a_200011021034_100000070051 [0,1,0,0,0,0|2,0,1]=4 8015 B14R0.493 CCCCC(=O)CCCCCCCCO 1458a_100000210183_100000033203 [0,1,0,0,0,0|0,0,3]=4 8016 B14R0.493 CCCCC(C)CCCCOCCC#N 7a_200011021034_100000184422 [0,1,0,0,0,0|2,0,1]=4 8017 B14R0.493 CCCCC(C)CCCCOCCCF 34a_200011021034_100011934791 [0,1,0,0,0,0|2,0,1]=4 8018 B14R0.493 CCCCC(C)CCCCOCCCF 7a_200011021034_100011934791 [0,1,0,0,0,0|2,0,1]=4 8019 B14R0.493 CCCCC(C)CCCCOCCCO 34a_200011021034_100000230001 [0,1,0,0,0,0|1,0,2]=4 8020 B14R0.493 CCCCC(C)CCCCOCCCO 7a_200011021034_100011215043 [0,1,0,0,0,0|1,0,2]=4 8021 B14R0.493 CCCCC(C)CCCCOCCOC 34a_200011021034_100011201679 [0,1,0,0,0,0|3,0,0]=4 8022 B14R0.493 CCCCC(C)CCCCOCCOC 7a_200011021034_100000233755 [0,1,0,0,0,0|3,0,0]=4 8023 B14R0.493 CCCCC(C)CCCCOCCSC 34a_200011021034_100000212216 [0,1,0,0,0,0|3,0,0]=4 8024 B14R0.493 CCCCC(C)CCCCOCCSC 7a_200011021034_100000212216 [0,1,0,0,0,0|3,0,0]=4 8025 B14R0.493 CCCCC(C)COCCCCCC#N 7a_100011995851_100009813376 [0,1,0,0,0,0|2,0,1]=4 8026 B14R0.493 CCCCC(C)COCCCCCC=O 7a_100011995851_100000139337 [0,1,0,0,0,0|1,0,0]=2 8027 B14R0.493 CCCCC(C)COCCCCCCF 34a_100011995851_100015922095 [0,1,0,0,0,0|2,0,1]=4 8028 B14R0.493 CCCCC(C)COCCCCCCF 7a_100011995851_100015922095 [0,1,0,0,0,0|2,0,1]=4 8029 B14R0.493 CCCCC(C)COCCCCCCO 34a_100011995851_100000766143 [0,1,0,0,0,0|1,0,2]=4 8030 B14R0.493 CCCCC(C)COCCCCCCO 7a_100011995851_100000766143 [0,1,0,0,0,0|1,0,2]=4 8031 B14R0.493 CCCCC(C)NCCCCCCC#N 2230a_100000126638_100009813337 [0,1,0,0,0,0|2,0,1]=4 8032 B14R0.493 CCCCC(C)NCCCCCCCO 2230a_100000126638_100000760002 [0,1,0,0,0,0|1,0,2]=4 8033 B14R0.493 CCCCC(C)NCCCCCCCO 2230a_100011996573_200011215066 [0,1,0,0,0,0|1,0,2]=4 8034 B14R0.493 CCCCC(C)NCCCCCCCO 270004a_100011996573_100000210087 [0,1,0,0,0,0|1,0,2]=4 8035 B14R0.493 CCCCC(C)NCCCCCCCO 34a_100011996573_200011215066 [0,1,0,0,0,0|1,0,2]=4 8036 B14R0.493 CCCCC(C)NCCCCCCOC 2230a_100000126638_100011998445 [0,1,0,0,0,0|3,0,0]=4 8037 B14R0.493 CCCCC(C)OCCCCCCC#N 7a_100000687866_100009813337 [0,1,0,0,0,0|2,0,1]=4 8038 B14R0.493 CCCCC(C)OCCCCCCCBr 34a_100000760002_200011215066 [0,1,0,0,0,0|2,0,1]=4 8039 B14R0.493 CCCCC(C)OCCCCCCCBr 7a_100000760002_200011215066 [0,1,0,0,0,0|2,0,1]=4 8040 B14R0.493 CCCCC(C)OCCCCCCCN 34a_100011996573_200011215066 [0,1,0,0,0,0|2,0,1]=4 8041 B14R0.493 CCCCC(C)OCCCCCCCO 34a_100000687866_100000760002 [0,1,0,0,0,0|1,0,2]=4 8042 B14R0.493 CCCCC(C)OCCCCCCCO 7a_100000687866_100000760002 [0,1,0,0,0,0|1,0,2]=4 8043 B14R0.493 CCCCC(C)OCCCCCCOC 34a_100000687866_100011998445 [0,1,0,0,0,0|3,0,0]=4 8044 B14R0.493 CCCCC(C)OCCCCCCOC 34a_200012092642_200011215066 [0,1,0,0,0,0|3,0,0]=4 8045 B14R0.493 CCCCC(C)OCCCCCCOC 7a_100000687866_100011998445 [0,1,0,0,0,0|3,0,0]=4 8046 B14R0.493 CCCCC(C)OCCCCCCOC 7a_200012092642_200011215066 [0,1,0,0,0,0|3,0,0]=4 8047 B14R0.493 CCCCC(C)SCCCCCCC#N 62a_100009813337_200011215066 [0,1,0,0,0,0|2,0,1]=4 8048 B14R0.493 CCCCC(C)SCCCCCCC#N 62a_200011215066_100009813337 [0,1,0,0,0,0|2,0,1]=4 8049 B14R0.493 CCCCC(C)SCCCCCCCO 62a_100000760002_200011215066 [0,1,0,0,0,0|1,0,2]=4 8050 B14R0.493 CCCCC(C)SCCCCCCCO 62a_200011215066_100000760002 [0,1,0,0,0,0|1,0,2]=4 8051 B14R0.493 CCCCC(C)SCCCCCCOC 62a_100011998445_200011215066 [0,1,0,0,0,0|3,0,0]=4 8052 B14R0.493 CCCCC(C)SCCCCCCOC 62a_200011215066_100011998445 [0,1,0,0,0,0|3,0,0]=4 8053 B14R0.493 CCCCCCCCCC(=O)CCC#N 1458a_100000210558_100011215226 [0,1,0,0,0,0|1,0,2]=4 8054 B14R0.493 CCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210670 [0,1,0,0,0,0|1,0,2]=4 8055 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210670 [0,1,0,0,0,0|1,0,2]=4 8056 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210558_100000210211 [0,1,0,0,0,0|1,0,2]=4 8057 B14R0.493 CCCCCCCCCC(=O)CCCF 1458a_100000210558_100011934791 [0,1,0,0,0,0|1,0,2]=4 8058 B14R0.493 CCCCCCCCCC(=O)CCCO 1458a_100000210558_100011215043 [0,1,0,0,0,0|0,0,3]=4 8059 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000210558_100000233755 [0,1,0,0,0,0|2,0,1]=4 8060 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210670 [0,1,0,0,0,0|2,0,1]=4 8061 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210670 [0,1,0,0,0,0|2,0,1]=4 8062 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000210558_100000751147 [0,1,0,0,0,0|2,0,1]=4 8063 B14R0.493 CCCCCCCCCC(C)CNCC 270004a_100015525214_200011218516 [0,1,0,0,0,0|2,0,1]=4 8064 B14R0.493 CCCCCCCCCC(C)NCCC 270004a_100020643023_100011215753 [0,1,0,0,0,0|2,0,1]=4 8065 B14R0.493 CCCCCCCCCC(C)NCCO 270004a_100000210304_100011215753 [0,1,0,0,0,0|1,0,2]=4 8066 B14R0.493 CCCCCCCCCC(C)OCC#N 7a_100011218016_100011215382 [0,1,0,0,0,0|2,0,1]=4 8067 B14R0.493 CCCCCCCCCC(C)OCC=O 34a_100011218016_200009817547 [0,1,0,0,0,0|1,0,0]=2 8068 B14R0.493 CCCCCCCCCC(C)OCC=O 7a_100011218016_200015260668 [0,1,0,0,0,0|1,0,0]=2 8069 B14R0.493 CCCCCCCCCC(C)OCCC 34a_100011218016_100000210303 [0,1,0,0,0,0|2,0,1]=4 8070 B14R0.493 CCCCCCCCCC(C)OCCC 7a_100011218016_100000210303 [0,1,0,0,0,0|2,0,1]=4 8071 B14R0.493 CCCCCCCCCC(C)OCCF 34a_100011218016_100011217306 [0,1,0,0,0,0|2,0,1]=4 8072 B14R0.493 CCCCCCCCCC(C)OCCF 7a_100011218016_100011217306 [0,1,0,0,0,0|2,0,1]=4 8073 B14R0.493 CCCCCCCCCC(C)OCCO 34a_100011218016_100000211926 [0,1,0,0,0,0|1,0,2]=4 8074 B14R0.493 CCCCCCCCCC(C)OCCO 7a_100011218016_100000211926 [0,1,0,0,0,0|1,0,2]=4 8075 B14R0.493 CCCCCCCCCC(C)OCSC 34a_100011218016_100011218213 [0,1,0,0,0,0|3,0,0]=4 8076 B14R0.493 CCCCCCCCCN(C)CCC#N 2230a_100000184479_100011214924 [0,1,0,0,0,0|2,0,1]=4 8077 B14R0.493 CCCCCCCCCN(C)CCC#N 2230a_100000232482_100011215226 [0,1,0,0,0,0|2,0,1]=4 8078 B14R0.493 CCCCCCCCCN(C)CCC#N 2230a_200000021605_200000210301 [0,1,0,0,0,0|2,0,1]=4 8079 B14R0.493 CCCCCCCCCN(C)CCC#N 269982a_100000232482_100011215226 [0,1,0,0,0,0|2,0,1]=4 8080 B14R0.493 CCCCCCCCCN(C)CCCC 2230a_100000207549_100011214924 [0,1,0,0,0,0|2,0,1]=4 8081 B14R0.493 CCCCCCCCCN(C)CCCC 2230a_100000232482_100000210211 [0,1,0,0,0,0|2,0,1]=4 8082 B14R0.493 CCCCCCCCCN(C)CCCC 269982a_100000207549_100000210670 [0,1,0,0,0,0|2,0,1]=4 8083 B14R0.493 CCCCCCCCCN(C)CCCC 269982a_100000232482_100000210211 [0,1,0,0,0,0|2,0,1]=4 8084 B14R0.493 CCCCCCCCCN(C)CCCF 2230a_100000232482_100011934791 [0,1,0,0,0,0|2,0,1]=4 8085 B14R0.493 CCCCCCCCCN(C)CCCF 269982a_100000232482_100011934791 [0,1,0,0,0,0|2,0,1]=4 8086 B14R0.493 CCCCCCCCCN(C)CCCO 2230a_100000213112_100011214924 [0,1,0,0,0,0|1,0,2]=4 8087 B14R0.493 CCCCCCCCCN(C)CCCO 2230a_100000232482_100000230001 [0,1,0,0,0,0|1,0,2]=4 8088 B14R0.493 CCCCCCCCCN(C)CCCO 269982a_100000213112_100000210670 [0,1,0,0,0,0|1,0,2]=4 8089 B14R0.493 CCCCCCCCCN(C)CCCO 269982a_100000232482_100011215043 [0,1,0,0,0,0|1,0,2]=4 8090 B14R0.493 CCCCCCCCCN(C)CCOC 2230a_100000232482_100011201679 [0,1,0,0,0,0|3,0,0]=4 8091 B14R0.493 CCCCCCCCCN(C)CCOC 2230a_100000743101_100011214924 [0,1,0,0,0,0|3,0,0]=4 8092 B14R0.493 CCCCCCCCCN(C)CCOC 269982a_100000232482_100000233755 [0,1,0,0,0,0|3,0,0]=4 8093 B14R0.493 CCCCCCCCCN(C)CCOC 269982a_100000743101_100000210670 [0,1,0,0,0,0|3,0,0]=4 8094 B14R0.493 CCCCCCCCCN(C)CCSC 2230a_100000232482_100000751147 [0,1,0,0,0,0|3,0,0]=4 8095 B14R0.493 CCCCCCCCCN(C)CCSC 2230a_100000686725_100011214924 [0,1,0,0,0,0|3,0,0]=4 8096 B14R0.493 CCCCCCCCCN(C)CCSC 269982a_100000232482_100000212216 [0,1,0,0,0,0|3,0,0]=4 8097 B14R0.493 CCCCCCCCCN(C)CCSC 269982a_100000686725_100000210670 [0,1,0,0,0,0|3,0,0]=4 8098 B14R0.493 CCCCCCCCCN([13CH3])CCC#N 2230a_200000021605_200025704644 [0,1,0,0,0,0|2,0,1]=4 8099 B14R0.493 CCCCCCCCNC(C)CCCC 2230a_100000126638_100000210759 [0,1,0,0,0,0|2,0,1]=4 8100 B14R0.493 CCCCCCCCNC(C)CCCC 2230a_100000229939_200011215066 [0,1,0,0,0,0|2,0,1]=4 8101 B14R0.493 CCCCCCCCNC(C)CCCC 270004a_100000229939_100000210087 [0,1,0,0,0,0|2,0,1]=4 8102 B14R0.493 CCCCCCCCNC(C)CCCC 34a_100000229939_200011215066 [0,1,0,0,0,0|2,0,1]=4 8103 B14R0.493 CCCCCCCCNC(C)CCOC 270004a_100000229939_100000742357 [0,1,0,0,0,0|3,0,0]=4 8104 B14R0.493 CCCCCCCCNC(C)CCSC 270004a_100000229939_100011217047 [0,1,0,0,0,0|3,0,0]=4 8105 B14R0.493 CCCCCCCCOC(C)CCCC 34a_100000210232_200011215066 [0,1,0,0,0,0|2,0,1]=4 8106 B14R0.493 CCCCCCCCOC(C)CCCC 34a_100000687866_100000210759 [0,1,0,0,0,0|2,0,1]=4 8107 B14R0.493 CCCCCCCCOC(C)CCCC 7a_100000210232_200011215066 [0,1,0,0,0,0|2,0,1]=4 8108 B14R0.493 CCCCCCCCOC(C)CCCC 7a_100000687866_100000210759 [0,1,0,0,0,0|2,0,1]=4 8109 B14R0.493 CCCCCCCCOC(C)CCCCl 34a_200000718107_100000210759 [0,1,0,0,0,0|2,0,1]=4 8110 B14R0.493 CCCCCCCCOC(C)CCCCl 7a_200000718107_100000210759 [0,1,0,0,0,0|2,0,1]=4 8111 B14R0.493 CCCCCCCCSC(C)CCCC 62a_100000210759_200011215066 [0,1,0,0,0,0|2,0,1]=4 8112 B14R0.493 CCCCCCCCSC(C)CCCC 62a_200011215066_100000210317 [0,1,0,0,0,0|2,0,1]=4 8113 B14R0.493 CCCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210681 [0,1,0,0,0,0|1,0,2]=4 8114 B14R0.493 CCCCCCCNC[C@H](C)CCCO 34a_100160569302_100000210614 [0,1,0,0,0,0|1,0,2]=4 8115 B14R0.493 CCCCCCCOCC(C)CCCC 34a_100011995851_100000210614 [0,1,0,0,0,0|2,0,1]=4 8116 B14R0.493 CCCCCCCOCC(C)CCCC 7a_100011995851_100000210614 [0,1,0,0,0,0|2,0,1]=4 8117 B14R0.493 CCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100000210614 [0,1,0,0,0,0|2,0,1]=4 8118 B14R0.493 CCCCCCCOC[C@@H](N)CCSC 34a_100011827619_100000210614 [0,1,0,0,0,0|3,0,0]=4 8119 B14R0.493 CCCCN(C)CCCCCCCCO 2230a_100000207549_100000033203 [0,1,0,0,0,0|1,0,2]=4 8120 B14R0.493 CCCCN(C)CCCCCCCCO 269982a_100000207549_100000033203 [0,1,0,0,0,0|1,0,2]=4 8121 B14R0.493 CCCCOCCCCC(C)CCCC 34a_200011021034_100000210210 [0,1,0,0,0,0|2,0,1]=4 8122 B14R0.493 CCCCOCCCCC(C)CCCC 7a_200011021034_100000210211 [0,1,0,0,0,0|2,0,1]=4 8123 B14R0.493 CCCC[C@H](N)COCCCCCCF 34a_100011934283_100015922095 [0,1,0,0,0,0|2,0,1]=4 8124 B14R0.493 CCCC[C@H](N)COCCCCCCO 34a_100011934283_100000766143 [0,1,0,0,0,0|1,0,2]=4 8125 B14R0.493 CCCNC(=O)CCCSCCCC=O 62a_100011194427_200011292268 [0,1,0,0,0,0|2,0,1]=4 8126 B14R0.493 CCCNC(=O)CCCSCCCC=O 62a_200011292268_100011194427 [0,1,0,0,0,0|2,0,1]=4 8127 B14R0.493 CCCNC(=O)CNCCCCCC=O 2230a_100000174927_100000139337 [0,1,0,0,0,0|2,0,1]=4 8128 B14R0.493 CCCNC(=O)CSCCCCCC=O 62a_100000139337_100000183358 [0,1,0,0,0,0|2,0,1]=4 8129 B14R0.493 CCCNC(=O)CSCCCCCC=O 62a_100000183358_100000139337 [0,1,0,0,0,0|2,0,1]=4 8130 B14R0.493 CCCOC(=O)CSCCCCCC=O 62a_100000139337_200011215008 [0,1,0,0,0,0|2,0,1]=4 8131 B14R0.493 CCCOC(=O)CSCCCCCC=O 62a_200011215008_100000139337 [0,1,0,0,0,0|2,0,1]=4 8132 B14R0.493 CCCOC(C)CNCCCCCC=O 2230a_100015185124_100000139337 [0,1,0,0,0,0|2,0,0]=3 8133 B14R0.493 CCOCC(O)CNCCCCCC=O 2230a_102515437182_100000139337 [0,1,0,0,0,0|2,0,0]=3 8134 B14R0.493 COCO[C@H](C)COCCCCCC=O 7a_100016172286_100000139337 [0,1,0,0,0,0|3,0,0]=4 8135 B14R0.493 C[C@H](CCCO)CNCCCCCC=O 2230a_100160569302_100000139337 [0,1,0,0,0,0|2,0,0]=3 8136 B14R1.40 BrCCCCCCCOC1CCCC1 34a_100000760002_100000179811 [0,0,0,1,0,0|2,0,1]=4 8137 B14R1.40 BrCCCCCCCOC1CCCC1 7a_100000760002_100000179811 [0,0,0,1,0,0|2,0,1]=4 8138 B14R1.40 BrCCCCCCOCC1CCCC1 34a_100011215345_100000740388 [0,0,0,1,0,0|2,0,1]=4 8139 B14R1.40 BrCCCCCCOCC1CCCC1 7a_100011215345_100000740388 [0,0,0,1,0,0|2,0,1]=4 8140 B14R1.40 BrCCCCCOCCC1CCCC1 34a_100000746331_100000760354 [0,0,0,1,0,0|2,0,1]=4 8141 B14R1.40 BrCCCCCOCCC1CCCC1 7a_100000746331_100000760354 [0,0,0,1,0,0|2,0,1]=4 8142 B14R1.40 BrCCCCOCCCC1CCCC1 34a_100011216708_100011713738 [0,0,0,1,0,0|2,0,1]=4 8143 B14R1.40 C#CCCCCCCCN1CCCC1 2230a_100000188435_100153394163 [0,0,0,1,0,0|2,0,1]=4 8144 B14R1.40 C#CCCCCCCCN1CCCC1 269982a_100000188435_100153394163 [0,0,0,1,0,0|2,0,1]=4 8145 B14R1.40 C#CCCCCCCNC1CCCC1 2230a_100000211070_100012276617 [0,0,0,1,0,0|2,0,1]=4 8146 B14R1.40 C#CCCCCCCNC1CCCC1 34a_100000211070_100012276617 [0,0,0,1,0,0|2,0,1]=4 8147 B14R1.40 C#CCCCCCCOC1CCCC1 34a_100000210269_100012276617 [0,0,0,1,0,0|2,0,1]=4 8148 B14R1.40 C#CCCCCCCOC1CCCC1 34a_100011217361_100000179811 [0,0,0,1,0,0|2,0,1]=4 8149 B14R1.40 C#CCCCCCCOC1CCCC1 7a_100000210269_100012276617 [0,0,0,1,0,0|2,0,1]=4 8150 B14R1.40 C#CCCCCCCOC1CCCC1 7a_100011217361_100000179811 [0,0,0,1,0,0|2,0,1]=4 8151 B14R1.40 C#CCCCCCCSC1CCCC1 62a_100011217020_100012276617 [0,0,0,1,0,0|2,0,1]=4 8152 B14R1.40 C#CCCCCCCSC1CCCC1 62a_100012276617_100000179811 [0,0,0,1,0,0|2,0,1]=4 8153 B14R1.40 C#CCCCCCNCC1CCCC1 2230a_100000737975_100012094781 [0,0,0,1,0,0|2,0,1]=4 8154 B14R1.40 C#CCCCCCNCC1CCCC1 34a_100000737975_100012094781 [0,0,0,1,0,0|2,0,1]=4 8155 B14R1.40 C#CCCCCCOCC1CCCC1 34a_100000742336_100012094781 [0,0,0,1,0,0|2,0,1]=4 8156 B14R1.40 C#CCCCCCOCC1CCCC1 34a_100000766912_100000740388 [0,0,0,1,0,0|2,0,1]=4 8157 B14R1.40 C#CCCCCCOCC1CCCC1 7a_100000742336_100012094781 [0,0,0,1,0,0|2,0,1]=4 8158 B14R1.40 C#CCCCCCOCC1CCCC1 7a_100000766912_100000740388 [0,0,0,1,0,0|2,0,1]=4 8159 B14R1.40 C#CCCCCCSCC1CCCC1 62a_100000740388_100012094781 [0,0,0,1,0,0|2,0,1]=4 8160 B14R1.40 C#CCCCCCSCC1CCCC1 62a_100012094781_100000740388 [0,0,0,1,0,0|2,0,1]=4 8161 B14R1.40 C#CCCCCNCCC1CCCC1 2230a_100000706060_100000760354 [0,0,0,1,0,0|2,0,1]=4 8162 B14R1.40 C#CCCCCNCCC1CCCC1 2230a_100000739158_100010269958 [0,0,0,1,0,0|2,0,1]=4 8163 B14R1.40 C#CCCCCNCCC1CCCC1 34a_100000706060_100000760354 [0,0,0,1,0,0|2,0,1]=4 8164 B14R1.40 C#CCCCCNCCC1CCCC1 34a_100000739158_100010269958 [0,0,0,1,0,0|2,0,1]=4 8165 B14R1.40 C#CCCCCOCCC1CCCC1 34a_100000749090_100010269958 [0,0,0,1,0,0|2,0,1]=4 8166 B14R1.40 C#CCCCCOCCC1CCCC1 34a_100000766709_100000760354 [0,0,0,1,0,0|2,0,1]=4 8167 B14R1.40 C#CCCCCOCCC1CCCC1 7a_100000749090_100010269958 [0,0,0,1,0,0|2,0,1]=4 8168 B14R1.40 C#CCCCCOCCC1CCCC1 7a_100000766709_100000760354 [0,0,0,1,0,0|2,0,1]=4 8169 B14R1.40 C#CCCCCSCCC1CCCC1 62a_100000760354_100010269958 [0,0,0,1,0,0|2,0,1]=4 8170 B14R1.40 C#CCCCCSCCC1CCCC1 62a_100010269958_100000760354 [0,0,0,1,0,0|2,0,1]=4 8171 B14R1.40 C#CCCCNCCCC1CCCC1 2230a_100000736752_100000731252 [0,0,0,1,0,0|2,0,1]=4 8172 B14R1.40 C#CCCCNCCCC1CCCC1 34a_100000718082_100011713738 [0,0,0,1,0,0|2,0,1]=4 8173 B14R1.40 C#CCCCNCCCC1CCCC1 34a_100000736752_100000695029 [0,0,0,1,0,0|2,0,1]=4 8174 B14R1.40 C#CCCCOCCCC1CCCC1 34a_100000215630_100011713738 [0,0,0,1,0,0|2,0,1]=4 8175 B14R1.40 C#CCCCOCCCC1CCCC1 34a_100011215328_100000695029 [0,0,0,1,0,0|2,0,1]=4 8176 B14R1.40 C#CCCCOCCCC1CCCC1 7a_100000215630_100011713738 [0,0,0,1,0,0|2,0,1]=4 8177 B14R1.40 C#CCCCOCCCC1CCCC1 7a_100011215328_100011215417 [0,0,0,1,0,0|2,0,1]=4 8178 B14R1.40 C#CCCCSCCCC1CCCC1 62a_100011215417_100011713738 [0,0,0,1,0,0|2,0,1]=4 8179 B14R1.40 C#CCCCSCCCC1CCCC1 62a_100011713738_100011215417 [0,0,0,1,0,0|2,0,1]=4 8180 B14R1.40 C/C=C/CCOCCCC1CCCC1 34a_100016278192_100011713738 [0,0,0,1,0,0|2,0,1]=4 8181 B14R1.40 C=CCCCCCCCN1CCCC1 2230a_100000188435_100012355270 [0,0,0,1,0,0|2,0,0]=3 8182 B14R1.40 C=CCCCCCCCN1CCCC1 269982a_100000188435_100012355270 [0,0,0,1,0,0|2,0,0]=3 8183 B14R1.40 C=CCCCCCCCN1CCSC1 2230a_100011215254_100012355270 [0,0,0,1,0,0|3,0,0]=4 8184 B14R1.40 C=CCCCCCCCN1CCSC1 269982a_100011215254_100012355270 [0,0,0,1,0,0|3,0,0]=4 8185 B14R1.40 C=CCCCCCCNC1CCCC1 2230a_100000211070_100011215473 [0,0,0,1,0,0|2,0,0]=3 8186 B14R1.40 C=CCCCCCCNC1CCCC1 34a_100000211070_100011215473 [0,0,0,1,0,0|2,0,0]=3 8187 B14R1.40 C=CCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100011215473 [0,0,0,1,0,0|3,0,0]=4 8188 B14R1.40 C=CCCCCCCN[C@H]1CCOC1 2230a_100015188467_100011215473 [0,0,0,1,0,0|3,0,0]=4 8189 B14R1.40 C=CCCCCCCN[C@H]1CCOC1 34a_100015188467_100011215473 [0,0,0,1,0,0|3,0,0]=4 8190 B14R1.40 C=CCCCCCCOC1CCCC1 34a_100000210269_100011215473 [0,0,0,1,0,0|2,0,0]=3 8191 B14R1.40 C=CCCCCCCOC1CCCC1 34a_200011216477_100000179811 [0,0,0,1,0,0|2,0,0]=3 8192 B14R1.40 C=CCCCCCCOC1CCCC1 7a_100000210269_100011215473 [0,0,0,1,0,0|2,0,0]=3 8193 B14R1.40 C=CCCCCCCOC1CCCC1 7a_200011216477_100000179811 [0,0,0,1,0,0|2,0,0]=3 8194 B14R1.40 C=CCCCCCCOC1CCCO1 34a_100000085407_100011215473 [0,0,0,1,0,0|3,0,0]=4 8195 B14R1.40 C=CCCCCCCOC1CCOC1 34a_200011216477_100000690089 [0,0,0,1,0,0|3,0,0]=4 8196 B14R1.40 C=CCCCCCCOC1CCOC1 7a_200011216477_100000731011 [0,0,0,1,0,0|3,0,0]=4 8197 B14R1.40 C=CCCCCCCOC1CCSC1 7a_100011232664_100011215473 [0,0,0,1,0,0|3,0,0]=4 8198 B14R1.40 C=CCCCCCCO[C@H]1CCOC1 34a_100000717292_100011215473 [0,0,0,1,0,0|3,0,0]=4 8199 B14R1.40 C=CCCCCCCSC1CCCC1 62a_100011215473_100000179811 [0,0,0,1,0,0|2,0,0]=3 8200 B14R1.40 C=CCCCCCCSC1CCCC1 62a_100011217020_100011215473 [0,0,0,1,0,0|2,0,0]=3 8201 B14R1.40 C=CCCCCCCSC1CCOC1 62a_100011215473_100000690089 [0,0,0,1,0,0|3,0,0]=4 8202 B14R1.40 C=CCCCCCNCC1CCCC1 2230a_100000737975_100000700193 [0,0,0,1,0,0|2,0,0]=3 8203 B14R1.40 C=CCCCCCNCC1CCCC1 34a_100000737975_100000700193 [0,0,0,1,0,0|2,0,0]=3 8204 B14R1.40 C=CCCCCCNCC1CCOC1 2230a_100000737293_100000700193 [0,0,0,1,0,0|3,0,0]=4 8205 B14R1.40 C=CCCCCCNCC1CCOC1 34a_100000737293_100000700193 [0,0,0,1,0,0|3,0,0]=4 8206 B14R1.40 C=CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000700193 [0,0,0,1,0,0|3,0,0]=4 8207 B14R1.40 C=CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000700193 [0,0,0,1,0,0|3,0,0]=4 8208 B14R1.40 C=CCCCCCOCC1CCCC1 34a_100000742336_100000700193 [0,0,0,1,0,0|2,0,0]=3 8209 B14R1.40 C=CCCCCCOCC1CCCC1 34a_100011216702_100000740388 [0,0,0,1,0,0|2,0,0]=3 8210 B14R1.40 C=CCCCCCOCC1CCCC1 7a_100000742336_100000700193 [0,0,0,1,0,0|2,0,0]=3 8211 B14R1.40 C=CCCCCCOCC1CCCC1 7a_100011216702_100000740388 [0,0,0,1,0,0|2,0,0]=3 8212 B14R1.40 C=CCCCCCOCC1CCCO1 34a_100000210270_100000700193 [0,0,0,1,0,0|3,0,0]=4 8213 B14R1.40 C=CCCCCCOCC1CCCO1 7a_100000210270_100000700193 [0,0,0,1,0,0|3,0,0]=4 8214 B14R1.40 C=CCCCCCOCC1CCCO1 7a_100011216702_100000203698 [0,0,0,1,0,0|3,0,0]=4 8215 B14R1.40 C=CCCCCCOCC1CCNC1 34a_100000748654_100000700193 [0,0,0,1,0,0|3,0,0]=4 8216 B14R1.40 C=CCCCCCOCC1CCOC1 34a_100000740260_100000700193 [0,0,0,1,0,0|3,0,0]=4 8217 B14R1.40 C=CCCCCCOCC1CCOC1 34a_100011216702_100011261433 [0,0,0,1,0,0|3,0,0]=4 8218 B14R1.40 C=CCCCCCOCC1CCOC1 7a_100011216702_100000702531 [0,0,0,1,0,0|3,0,0]=4 8219 B14R1.40 C=CCCCCCOC[C@H]1CCCN1 34a_100000745186_100000700193 [0,0,0,1,0,0|3,0,0]=4 8220 B14R1.40 C=CCCCCCSCC1CCCC1 62a_100000700193_100000740388 [0,0,0,1,0,0|2,0,0]=3 8221 B14R1.40 C=CCCCCCSCC1CCCC1 62a_100000740388_100000700193 [0,0,0,1,0,0|2,0,0]=3 8222 B14R1.40 C=CCCCCCSCC1CCCO1 62a_100000203698_100000700193 [0,0,0,1,0,0|3,0,0]=4 8223 B14R1.40 C=CCCCCCSCC1CCCO1 62a_100000700193_100000203698 [0,0,0,1,0,0|3,0,0]=4 8224 B14R1.40 C=CCCCCCSCC1CCOC1 62a_100000700193_100000702531 [0,0,0,1,0,0|3,0,0]=4 8225 B14R1.40 C=CCCCCCSCC1CCOC1 62a_100000702531_100000700193 [0,0,0,1,0,0|3,0,0]=4 8226 B14R1.40 C=CCCCCNCCC1CCCC1 2230a_100000703577_100000760354 [0,0,0,1,0,0|2,0,0]=3 8227 B14R1.40 C=CCCCCNCCC1CCCC1 2230a_100000739158_100011215482 [0,0,0,1,0,0|2,0,0]=3 8228 B14R1.40 C=CCCCCNCCC1CCCC1 34a_100000703577_100000760354 [0,0,0,1,0,0|2,0,0]=3 8229 B14R1.40 C=CCCCCNCCC1CCCC1 34a_100000739158_100011215482 [0,0,0,1,0,0|2,0,0]=3 8230 B14R1.40 C=CCCCCOCCC1CCCC1 34a_100000749090_100011215482 [0,0,0,1,0,0|2,0,0]=3 8231 B14R1.40 C=CCCCCOCCC1CCCC1 34a_100000766645_100000760354 [0,0,0,1,0,0|2,0,0]=3 8232 B14R1.40 C=CCCCCOCCC1CCCC1 7a_100000749090_100011215482 [0,0,0,1,0,0|2,0,0]=3 8233 B14R1.40 C=CCCCCOCCC1CCCC1 7a_100000766645_100000760354 [0,0,0,1,0,0|2,0,0]=3 8234 B14R1.40 C=CCCCCOCCC1CCNC1 34a_100016987287_100011215482 [0,0,0,1,0,0|3,0,0]=4 8235 B14R1.40 C=CCCCCOCCC1CCOC1 34a_100011879284_100011215482 [0,0,0,1,0,0|3,0,0]=4 8236 B14R1.40 C=CCCCCOCCN1CCCC1 7a_100000766645_100000004467 [0,0,0,1,0,0|3,0,0]=4 8237 B14R1.40 C=CCCCCSCCC1CCCC1 62a_100000760354_100011215482 [0,0,0,1,0,0|2,0,0]=3 8238 B14R1.40 C=CCCCCSCCC1CCCC1 62a_100011215482_100000760354 [0,0,0,1,0,0|2,0,0]=3 8239 B14R1.40 C=CCCCCSCCN1CCCC1 62a_100000700749_100011215482 [0,0,0,1,0,0|3,0,0]=4 8240 B14R1.40 C=CCCCCSCCN1CCCC1 62a_100011215482_100000004467 [0,0,0,1,0,0|3,0,0]=4 8241 B14R1.40 C=CCCCNCCCC1CCCC1 2230a_100000700776_100011713738 [0,0,0,1,0,0|2,0,0]=3 8242 B14R1.40 C=CCCCNCCCC1CCCC1 2230a_100000736752_100011713584 [0,0,0,1,0,0|2,0,0]=3 8243 B14R1.40 C=CCCCNCCCC1CCCC1 34a_100000700776_100011713738 [0,0,0,1,0,0|2,0,0]=3 8244 B14R1.40 C=CCCCNCCCC1CCCC1 34a_100000736752_100000757094 [0,0,0,1,0,0|2,0,0]=3 8245 B14R1.40 C=CCCCNCCCN1CCCC1 2230a_100000700776_100011445909 [0,0,0,1,0,0|3,0,0]=4 8246 B14R1.40 C=CCCCNCCCN1CCCC1 34a_100000700776_100016991639 [0,0,0,1,0,0|3,0,0]=4 8247 B14R1.40 C=CCCCNCCOC1CCCC1 34a_100000741755_100000757094 [0,0,0,1,0,0|3,0,0]=4 8248 B14R1.40 C=CCCCOCCCC1CCCC1 34a_100000758997_100011713738 [0,0,0,1,0,0|2,0,0]=3 8249 B14R1.40 C=CCCCOCCCC1CCCC1 34a_100011215328_100000757094 [0,0,0,1,0,0|2,0,0]=3 8250 B14R1.40 C=CCCCOCCCC1CCCC1 7a_100000758997_100011713738 [0,0,0,1,0,0|2,0,0]=3 8251 B14R1.40 C=CCCCOCCCC1CCCC1 7a_100011215328_100000757094 [0,0,0,1,0,0|2,0,0]=3 8252 B14R1.40 C=CCCCOCCCN1CCCC1 34a_100000758997_100016991639 [0,0,0,1,0,0|3,0,0]=4 8253 B14R1.40 C=CCCCOCCCN1CCCC1 7a_100000758997_100011445909 [0,0,0,1,0,0|3,0,0]=4 8254 B14R1.40 C=CCCCOCCNC1CCCC1 34a_200000200444_100000757094 [0,0,0,1,0,0|3,0,0]=4 8255 B14R1.40 C=CCCCOCCOC1CCCC1 34a_100000738311_100000757094 [0,0,0,1,0,0|3,0,0]=4 8256 B14R1.40 C=CCCCOCCOC1CCCC1 7a_100000738311_100000757094 [0,0,0,1,0,0|3,0,0]=4 8257 B14R1.40 C=CCCCSCCCC1CCCC1 62a_100011713584_100011713738 [0,0,0,1,0,0|2,0,0]=3 8258 B14R1.40 C=CCCCSCCCC1CCCC1 62a_100011713738_100000757094 [0,0,0,1,0,0|2,0,0]=3 8259 B14R1.40 C=CCCCSCCCN1CCCC1 62a_100011713584_100011445909 [0,0,0,1,0,0|3,0,0]=4 8260 B14R1.40 C=CCCCSCCCN1CCCC1 62a_100016991639_100000757094 [0,0,0,1,0,0|3,0,0]=4 8261 B14R1.40 C=CCCNCCCOC1CCCC1 34a_100000747560_100000754431 [0,0,0,1,0,0|3,0,0]=4 8262 B14R1.40 C=CCOCCOCCC1CCCC1 34a_100000037705_100000760354 [0,0,0,1,0,0|3,0,0]=4 8263 B14R1.40 C=CCOCCOCCC1CCCC1 7a_100000037705_100000760354 [0,0,0,1,0,0|3,0,0]=4 8264 B14R1.40 C=COCCCCOCC1CCCC1 34a_100000031558_100000740388 [0,0,0,1,0,0|3,0,0]=4 8265 B14R1.40 C=COCCCCOCC1CCCC1 7a_100000031558_100000740388 [0,0,0,1,0,0|3,0,0]=4 8266 B14R1.40 C=COCCCNCCC1CCCC1 2230a_100000210767_100000760354 [0,0,0,1,0,0|3,0,0]=4 8267 B14R1.40 C=COCCCNCCC1CCCC1 34a_100000210767_100000760354 [0,0,0,1,0,0|3,0,0]=4 8268 B14R1.40 C=COCCNCCCC1CCCC1 2230a_100000736752_100000039644 [0,0,0,1,0,0|3,0,0]=4 8269 B14R1.40 C=COCCNCCCC1CCCC1 34a_100000736752_100000039644 [0,0,0,1,0,0|3,0,0]=4 8270 B14R1.40 C=COCCOCCCC1CCCC1 34a_100000033082_100011713738 [0,0,0,1,0,0|3,0,0]=4 8271 B14R1.40 C=COCCOCCCC1CCCC1 34a_100011215328_100000039644 [0,0,0,1,0,0|3,0,0]=4 8272 B14R1.40 C=COCCOCCCC1CCCC1 7a_100011215328_100000039644 [0,0,0,1,0,0|3,0,0]=4 8273 B14R1.40 C=COCCSCCCC1CCCC1 62a_100000039644_100011713738 [0,0,0,1,0,0|3,0,0]=4 8274 B14R1.40 C=COCCSCCCC1CCCC1 62a_100011713738_100000039644 [0,0,0,1,0,0|3,0,0]=4 8275 B14R1.40 CC=CCCCOCCC1CCCC1 34a_100020645299_100000760354 [0,0,0,1,0,0|2,0,1]=4 8276 B14R1.40 CCCCCCCCCN1CC=CC1 269982a_100015195280_100000210670 [0,0,0,1,0,0|2,0,1]=4 8277 B14R1.40 CCCCCCCCCN1CCCC1 2230a_100000188435_100011214924 [0,0,0,1,0,0|2,0,1]=4 8278 B14R1.40 CCCCCCCCCN1CCCC1 269982a_100000188435_100000210670 [0,0,0,1,0,0|2,0,1]=4 8279 B14R1.40 CCCCCCCCCN1CCSC1 2230a_100011215254_100011214924 [0,0,0,1,0,0|3,0,0]=4 8280 B14R1.40 CCCCCCCCCN1CCSC1 269982a_100011215254_100000210670 [0,0,0,1,0,0|3,0,0]=4 8281 B14R1.40 CCCCCCCCNC1CC=CC1 2230a_100015188752_100000210759 [0,0,0,1,0,0|2,0,1]=4 8282 B14R1.40 CCCCCCCCNC1CCCC1 2230a_100000211070_100000210759 [0,0,0,1,0,0|2,0,1]=4 8283 B14R1.40 CCCCCCCCNC1CCCC1 2230a_100000229939_100000179811 [0,0,0,1,0,0|2,0,1]=4 8284 B14R1.40 CCCCCCCCNC1CCCC1 270004a_100000229939_100000210133 [0,0,0,1,0,0|2,0,1]=4 8285 B14R1.40 CCCCCCCCNC1CCCC1 34a_100000211070_100000210759 [0,0,0,1,0,0|2,0,1]=4 8286 B14R1.40 CCCCCCCCNC1CCCC1 34a_100000229939_100000179811 [0,0,0,1,0,0|2,0,1]=4 8287 B14R1.40 CCCCCCCCNC1CCOC1 2230a_100000229939_100000731011 [0,0,0,1,0,0|3,0,0]=4 8288 B14R1.40 CCCCCCCCNC1CCOC1 270004a_100000229939_100000752484 [0,0,0,1,0,0|3,0,0]=4 8289 B14R1.40 CCCCCCCCNC1CCOC1 34a_100000229939_100000690089 [0,0,0,1,0,0|3,0,0]=4 8290 B14R1.40 CCCCCCCCNC1CCSC1 270004a_100000229939_100000212027 [0,0,0,1,0,0|3,0,0]=4 8291 B14R1.40 CCCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210759 [0,0,0,1,0,0|3,0,0]=4 8292 B14R1.40 CCCCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210759 [0,0,0,1,0,0|3,0,0]=4 8293 B14R1.40 CCCCCCCCN[C@H]1CCOC1 34a_100015188467_100000210759 [0,0,0,1,0,0|3,0,0]=4 8294 B14R1.40 CCCCCCCCOC1CCCC1 34a_100000210232_100000179811 [0,0,0,1,0,0|2,0,1]=4 8295 B14R1.40 CCCCCCCCOC1CCCC1 34a_100000210269_100000210759 [0,0,0,1,0,0|2,0,1]=4 8296 B14R1.40 CCCCCCCCOC1CCCC1 7a_100000210232_100000179811 [0,0,0,1,0,0|2,0,1]=4 8297 B14R1.40 CCCCCCCCOC1CCCC1 7a_100000210269_100000210759 [0,0,0,1,0,0|2,0,1]=4 8298 B14R1.40 CCCCCCCCOC1CCCO1 34a_100000085407_100000210759 [0,0,0,1,0,0|1,0,2]=4 8299 B14R1.40 CCCCCCCCOC1CCOC1 34a_100000210232_100000690089 [0,0,0,1,0,0|3,0,0]=4 8300 B14R1.40 CCCCCCCCOC1CCOC1 7a_100000210232_100000731011 [0,0,0,1,0,0|3,0,0]=4 8301 B14R1.40 CCCCCCCCOC1CCSC1 7a_100011232664_100000210759 [0,0,0,1,0,0|3,0,0]=4 8302 B14R1.40 CCCCCCCCO[C@H]1CCOC1 34a_100000717292_100000210759 [0,0,0,1,0,0|3,0,0]=4 8303 B14R1.40 CCCCCCCCSC1CCCC1 62a_100000210759_100000179811 [0,0,0,1,0,0|2,0,1]=4 8304 B14R1.40 CCCCCCCCSC1CCCC1 62a_100011217020_100000210317 [0,0,0,1,0,0|2,0,1]=4 8305 B14R1.40 CCCCCCCCSC1CCOC1 62a_100000210759_100000690089 [0,0,0,1,0,0|3,0,0]=4 8306 B14R1.40 CCCCCCCNCC1CCCC1 2230a_100000229938_100000740388 [0,0,0,1,0,0|2,0,1]=4 8307 B14R1.40 CCCCCCCNCC1CCCC1 2230a_100000737975_100000210681 [0,0,0,1,0,0|2,0,1]=4 8308 B14R1.40 CCCCCCCNCC1CCCC1 269862a_100000229938_100000746403 [0,0,0,1,0,0|2,0,1]=4 8309 B14R1.40 CCCCCCCNCC1CCCC1 34a_100000737975_100000210614 [0,0,0,1,0,0|2,0,1]=4 8310 B14R1.40 CCCCCCCNCC1CCCO1 2230a_100000229938_100000203698 [0,0,0,1,0,0|1,0,2]=4 8311 B14R1.40 CCCCCCCNCC1CCOC1 2230a_100000229938_100000702531 [0,0,0,1,0,0|3,0,0]=4 8312 B14R1.40 CCCCCCCNCC1CCOC1 2230a_100000737293_100000210681 [0,0,0,1,0,0|3,0,0]=4 8313 B14R1.40 CCCCCCCNCC1CCOC1 34a_100000737293_100000210614 [0,0,0,1,0,0|3,0,0]=4 8314 B14R1.40 CCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210681 [0,0,0,1,0,0|1,0,2]=4 8315 B14R1.40 CCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210614 [0,0,0,1,0,0|1,0,2]=4 8316 B14R1.40 CCCCCCCOCC1CC=CC1 34a_100000688395_100000210614 [0,0,0,1,0,0|2,0,1]=4 8317 B14R1.40 CCCCCCCOCC1CCCC1 34a_100000210272_100000740388 [0,0,0,1,0,0|2,0,1]=4 8318 B14R1.40 CCCCCCCOCC1CCCC1 34a_100000742336_100000210614 [0,0,0,1,0,0|2,0,1]=4 8319 B14R1.40 CCCCCCCOCC1CCCC1 7a_100000210272_100000740388 [0,0,0,1,0,0|2,0,1]=4 8320 B14R1.40 CCCCCCCOCC1CCCC1 7a_100000742336_100000210614 [0,0,0,1,0,0|2,0,1]=4 8321 B14R1.40 CCCCCCCOCC1CCCO1 34a_100000210270_100000210614 [0,0,0,1,0,0|1,0,2]=4 8322 B14R1.40 CCCCCCCOCC1CCCO1 7a_100000210270_100000210614 [0,0,0,1,0,0|1,0,2]=4 8323 B14R1.40 CCCCCCCOCC1CCCO1 7a_100000210272_100000203698 [0,0,0,1,0,0|1,0,2]=4 8324 B14R1.40 CCCCCCCOCC1CCNC1 34a_100000748654_100000210614 [0,0,0,1,0,0|3,0,0]=4 8325 B14R1.40 CCCCCCCOCC1CCOC1 34a_100000210272_100011261433 [0,0,0,1,0,0|3,0,0]=4 8326 B14R1.40 CCCCCCCOCC1CCOC1 34a_100000740260_100000210614 [0,0,0,1,0,0|3,0,0]=4 8327 B14R1.40 CCCCCCCOCC1CCOC1 7a_100000210272_100000702531 [0,0,0,1,0,0|3,0,0]=4 8328 B14R1.40 CCCCCCCOC[C@H]1CCCN1 34a_100000745186_100000210614 [0,0,0,1,0,0|2,0,1]=4 8329 B14R1.40 CCCCCCCSCC1CCCC1 62a_100000210614_100000740388 [0,0,0,1,0,0|2,0,1]=4 8330 B14R1.40 CCCCCCCSCC1CCCC1 62a_100000740388_100000210316 [0,0,0,1,0,0|2,0,1]=4 8331 B14R1.40 CCCCCCCSCC1CCCO1 62a_100000203698_100000210316 [0,0,0,1,0,0|1,0,2]=4 8332 B14R1.40 CCCCCCCSCC1CCCO1 62a_100000210614_100000203698 [0,0,0,1,0,0|1,0,2]=4 8333 B14R1.40 CCCCCCCSCC1CCOC1 62a_100000210614_100000702531 [0,0,0,1,0,0|3,0,0]=4 8334 B14R1.40 CCCCCCCSCC1CCOC1 62a_100000702531_100000210316 [0,0,0,1,0,0|3,0,0]=4 8335 B14R1.40 CCCCCCNCCC1CCCC1 2230a_100000210581_100000760354 [0,0,0,1,0,0|2,0,1]=4 8336 B14R1.40 CCCCCCNCCC1CCCC1 2230a_100000739158_100000210314 [0,0,0,1,0,0|2,0,1]=4 8337 B14R1.40 CCCCCCNCCC1CCCC1 34a_100000739158_100000210314 [0,0,0,1,0,0|2,0,1]=4 8338 B14R1.40 CCCCCCOCCC1CCCC1 34a_100000210259_100000760354 [0,0,0,1,0,0|2,0,1]=4 8339 B14R1.40 CCCCCCOCCC1CCCC1 34a_100000749090_100000210314 [0,0,0,1,0,0|2,0,1]=4 8340 B14R1.40 CCCCCCOCCC1CCCC1 7a_100000210259_100000760354 [0,0,0,1,0,0|2,0,1]=4 8341 B14R1.40 CCCCCCOCCC1CCCC1 7a_100000749090_100000210314 [0,0,0,1,0,0|2,0,1]=4 8342 B14R1.40 CCCCCCOCCC1CCNC1 34a_100016987287_100000210314 [0,0,0,1,0,0|3,0,0]=4 8343 B14R1.40 CCCCCCOCCC1CCOC1 34a_100011879284_100000210314 [0,0,0,1,0,0|3,0,0]=4 8344 B14R1.40 CCCCCCSCCC1CCCC1 62a_100000210314_100000760354 [0,0,0,1,0,0|2,0,1]=4 8345 B14R1.40 CCCCCCSCCC1CCCC1 62a_100000760354_100000210757 [0,0,0,1,0,0|2,0,1]=4 8346 B14R1.40 CCCCCNCCCC1CCCC1 2230a_100000209983_100011713738 [0,0,0,1,0,0|2,0,1]=4 8347 B14R1.40 CCCCCNCCCC1CCCC1 2230a_100000736752_100000210326 [0,0,0,1,0,0|2,0,1]=4 8348 B14R1.40 CCCCCNCCCC1CCCC1 34a_100000736752_100000718602 [0,0,0,1,0,0|2,0,1]=4 8349 B14R1.40 CCCCCOCCCC1CCCC1 34a_100000210253_100011713738 [0,0,0,1,0,0|2,0,1]=4 8350 B14R1.40 CCCCCOCCCC1CCCC1 34a_100011215328_100000718602 [0,0,0,1,0,0|2,0,1]=4 8351 B14R1.40 CCCCCOCCCC1CCCC1 7a_100000210253_100011713738 [0,0,0,1,0,0|2,0,1]=4 8352 B14R1.40 CCCCCOCCCC1CCCC1 7a_100011215328_100000210326 [0,0,0,1,0,0|2,0,1]=4 8353 B14R1.40 CCCCCSCCCC1CCCC1 62a_100000210326_100011713738 [0,0,0,1,0,0|2,0,1]=4 8354 B14R1.40 CCCCCSCCCC1CCCC1 62a_100011713738_100000210326 [0,0,0,1,0,0|2,0,1]=4 8355 B14R1.40 CNCCCCCOCC1CCCC1 34a_100000722520_100000740388 [0,0,0,1,0,0|3,0,0]=4 8356 B14R1.40 CNCCCOCCCC1CCCC1 34a_100000213112_100011713738 [0,0,0,1,0,0|3,0,0]=4 8357 B14R1.40 COCCCCCCNC1CCCC1 2230a_100000211070_100011998445 [0,0,0,1,0,0|3,0,0]=4 8358 B14R1.40 COCCCCCCNC1CCCC1 34a_100000211070_100011998445 [0,0,0,1,0,0|3,0,0]=4 8359 B14R1.40 COCCCCCCOC1CCCC1 34a_100000210269_100011998445 [0,0,0,1,0,0|3,0,0]=4 8360 B14R1.40 COCCCCCCOC1CCCC1 34a_200012092642_100000179811 [0,0,0,1,0,0|3,0,0]=4 8361 B14R1.40 COCCCCCCOC1CCCC1 7a_100000210269_100011998445 [0,0,0,1,0,0|3,0,0]=4 8362 B14R1.40 COCCCCCCOC1CCCC1 7a_200012092642_100000179811 [0,0,0,1,0,0|3,0,0]=4 8363 B14R1.40 COCCCCCCSC1CCCC1 62a_100011217020_100011998445 [0,0,0,1,0,0|3,0,0]=4 8364 B14R1.40 COCCCCCCSC1CCCC1 62a_100011998445_100000179811 [0,0,0,1,0,0|3,0,0]=4 8365 B14R1.40 COCCCCCNCC1CCCC1 2230a_100000747528_100000740388 [0,0,0,1,0,0|3,0,0]=4 8366 B14R1.40 COCCCCCNCC1CCCC1 269862a_100000747528_100000746403 [0,0,0,1,0,0|3,0,0]=4 8367 B14R1.40 COCCCCCNCC1CCCC1 34a_100000747528_100000740388 [0,0,0,1,0,0|3,0,0]=4 8368 B14R1.40 COCCCCNCCC1CCCC1 2230a_100000739158_100000730899 [0,0,0,1,0,0|3,0,0]=4 8369 B14R1.40 COCCCCNCCC1CCCC1 34a_100000739158_100000755781 [0,0,0,1,0,0|3,0,0]=4 8370 B14R1.40 COCCCCOCCC1CCCC1 34a_100000740925_100000760354 [0,0,0,1,0,0|3,0,0]=4 8371 B14R1.40 COCCCCOCCC1CCCC1 34a_100000749090_100000755781 [0,0,0,1,0,0|3,0,0]=4 8372 B14R1.40 COCCCCOCCC1CCCC1 7a_100000749090_100000730899 [0,0,0,1,0,0|3,0,0]=4 8373 B14R1.40 COCCCCSCCC1CCCC1 62a_100000730899_100000760354 [0,0,0,1,0,0|3,0,0]=4 8374 B14R1.40 COCCCCSCCC1CCCC1 62a_100000760354_100000730899 [0,0,0,1,0,0|3,0,0]=4 8375 B14R1.40 COCCCNCCCC1CCCC1 2230a_100000736752_100000740836 [0,0,0,1,0,0|3,0,0]=4 8376 B14R1.40 COCCCNCCCC1CCCC1 34a_100000736752_100000740836 [0,0,0,1,0,0|3,0,0]=4 8377 B14R1.40 COCCCNCCCC1CCCC1 34a_100150723488_100011713738 [0,0,0,1,0,0|3,0,0]=4 8378 B14R1.40 COCCCOCCCC1CCCC1 34a_100000740835_100011713738 [0,0,0,1,0,0|3,0,0]=4 8379 B14R1.40 COCCCOCCCC1CCCC1 34a_100011215328_100000740836 [0,0,0,1,0,0|3,0,0]=4 8380 B14R1.40 COCCCOCCCC1CCCC1 7a_100011215328_100000740836 [0,0,0,1,0,0|3,0,0]=4 8381 B14R1.40 COCCCSCCCC1CCCC1 62a_100000709357_100011713738 [0,0,0,1,0,0|3,0,0]=4 8382 B14R1.40 COCCCSCCCC1CCCC1 62a_100011713738_100000709357 [0,0,0,1,0,0|3,0,0]=4 8383 B14R1.40 CSCCCCOCCC1CCCC1 34a_100011217163_100000760354 [0,0,0,1,0,0|3,0,0]=4 8384 B14R1.40 CSCCCCOCCC1CCCC1 7a_100011217163_100000760354 [0,0,0,1,0,0|3,0,0]=4 8385 B14R1.40 CSCCCNCCCC1CCCC1 2230a_100000749238_100011713738 [0,0,0,1,0,0|3,0,0]=4 8386 B14R1.40 CSCCCOCCCC1CCCC1 34a_100000690336_100011713738 [0,0,0,1,0,0|3,0,0]=4 8387 B14R1.40 CSCCCOCCCC1CCCC1 7a_100000690336_100011713738 [0,0,0,1,0,0|3,0,0]=4 8388 B14R1.40 ClCCCCCCOCC1CCCC1 34a_100000766143_100000740388 [0,0,0,1,0,0|2,0,1]=4 8389 B14R1.40 ClCCCCCCOCC1CCCC1 7a_100000766143_100000740388 [0,0,0,1,0,0|2,0,1]=4 8390 B14R1.40 ClCCCCCOCCC1CCCC1 34a_100000746330_100000760354 [0,0,0,1,0,0|2,0,1]=4 8391 B14R1.40 ClCCCCCOCCC1CCCC1 7a_100000746330_100000760354 [0,0,0,1,0,0|2,0,1]=4 8392 B14R1.40 ClCCCCOCCCC1CCCC1 34a_100000210776_100011713738 [0,0,0,1,0,0|2,0,1]=4 8393 B14R1.40 ClCCCCOCCCC1CCCC1 7a_100000210776_100011713738 [0,0,0,1,0,0|2,0,1]=4 8394 B14R1.40 FCCCCCCNCC1CCCC1 2230a_100000737975_100015922095 [0,0,0,1,0,0|2,0,1]=4 8395 B14R1.40 FCCCCCCNCC1CCCC1 34a_100000737975_100015922095 [0,0,0,1,0,0|2,0,1]=4 8396 B14R1.40 FCCCCCCOCC1CCCC1 34a_100000732779_100000740388 [0,0,0,1,0,0|2,0,1]=4 8397 B14R1.40 FCCCCCCOCC1CCCC1 34a_100000742336_100015922095 [0,0,0,1,0,0|2,0,1]=4 8398 B14R1.40 FCCCCCCOCC1CCCC1 7a_100000732779_100000740388 [0,0,0,1,0,0|2,0,1]=4 8399 B14R1.40 FCCCCCCOCC1CCCC1 7a_100000742336_100015922095 [0,0,0,1,0,0|2,0,1]=4 8400 B14R1.40 FCCCCCCSCC1CCCC1 62a_100000740388_100015922095 [0,0,0,1,0,0|2,0,1]=4 8401 B14R1.40 FCCCCCCSCC1CCCC1 62a_100015922095_100000740388 [0,0,0,1,0,0|2,0,1]=4 8402 B14R1.40 FCCCCCNCCC1CCCC1 2230a_100000739158_100000729378 [0,0,0,1,0,0|2,0,1]=4 8403 B14R1.40 FCCCCCNCCC1CCCC1 34a_100000739158_100000729378 [0,0,0,1,0,0|2,0,1]=4 8404 B14R1.40 FCCCCCOCCC1CCCC1 34a_100000749090_100000729378 [0,0,0,1,0,0|2,0,1]=4 8405 B14R1.40 FCCCCCOCCC1CCCC1 7a_100000749090_100000729378 [0,0,0,1,0,0|2,0,1]=4 8406 B14R1.40 FCCCCCSCCC1CCCC1 62a_100000729378_100000760354 [0,0,0,1,0,0|2,0,1]=4 8407 B14R1.40 FCCCCCSCCC1CCCC1 62a_100000760354_100000729378 [0,0,0,1,0,0|2,0,1]=4 8408 B14R1.40 FCCCCNCCCC1CCCC1 2230a_100000736752_100000729493 [0,0,0,1,0,0|2,0,1]=4 8409 B14R1.40 FCCCCNCCCC1CCCC1 34a_100000736752_100000729493 [0,0,0,1,0,0|2,0,1]=4 8410 B14R1.40 FCCCCOCCCC1CCCC1 34a_100011215328_100000729493 [0,0,0,1,0,0|2,0,1]=4 8411 B14R1.40 FCCCCOCCCC1CCCC1 34a_100011995726_100011713738 [0,0,0,1,0,0|2,0,1]=4 8412 B14R1.40 FCCCCOCCCC1CCCC1 7a_100011215328_100000729493 [0,0,0,1,0,0|2,0,1]=4 8413 B14R1.40 FCCCCOCCCC1CCCC1 7a_100011995726_100011713738 [0,0,0,1,0,0|2,0,1]=4 8414 B14R1.40 FCCCCSCCCC1CCCC1 62a_100000729493_100011713738 [0,0,0,1,0,0|2,0,1]=4 8415 B14R1.40 FCCCCSCCCC1CCCC1 62a_100011713738_100000729493 [0,0,0,1,0,0|2,0,1]=4 8416 B14R1.40 ICCCCCOCCC1CCCC1 34a_200012148887_100000760354 [0,0,0,1,0,0|2,0,1]=4 8417 B14R1.40 ICCCCCOCCC1CCCC1 7a_200012148887_100000760354 [0,0,0,1,0,0|2,0,1]=4 8418 B14R1.40 ICCCCOCCCC1CCCC1 34a_200012148704_100011713738 [0,0,0,1,0,0|2,0,1]=4 8419 B14R1.40 N#CCCCCCCNC1CCCC1 2230a_100000211070_100009813337 [0,0,0,1,0,0|2,0,1]=4 8420 B14R1.40 N#CCCCCCCOC1CCCC1 7a_100000210269_100009813337 [0,0,0,1,0,0|2,0,1]=4 8421 B14R1.40 N#CCCCCCCSC1CCCC1 62a_100009813337_100000179811 [0,0,0,1,0,0|2,0,1]=4 8422 B14R1.40 N#CCCCCCCSC1CCCC1 62a_100011217020_100009813337 [0,0,0,1,0,0|2,0,1]=4 8423 B14R1.40 N#CCCCCCNCC1CCCC1 2230a_100000737975_100009813376 [0,0,0,1,0,0|2,0,1]=4 8424 B14R1.40 N#CCCCCCOCC1CCCC1 7a_100000742336_100009813376 [0,0,0,1,0,0|2,0,1]=4 8425 B14R1.40 N#CCCCCCSCC1CCCC1 62a_100000740388_100009813376 [0,0,0,1,0,0|2,0,1]=4 8426 B14R1.40 N#CCCCCCSCC1CCCC1 62a_100009813376_100000740388 [0,0,0,1,0,0|2,0,1]=4 8427 B14R1.40 N#CCCCCNCCC1CCCC1 2230a_100000739158_100000211819 [0,0,0,1,0,0|2,0,1]=4 8428 B14R1.40 N#CCCCCOCCC1CCCC1 7a_100000749090_100000211819 [0,0,0,1,0,0|2,0,1]=4 8429 B14R1.40 N#CCCCCSCCC1CCCC1 62a_100000760354_100000211819 [0,0,0,1,0,0|2,0,1]=4 8430 B14R1.40 N#CCCCCSCCC1CCCC1 62a_100011219923_100000760354 [0,0,0,1,0,0|2,0,1]=4 8431 B14R1.40 N#CCCCNCCCC1CCCC1 2230a_100000736752_100000687738 [0,0,0,1,0,0|2,0,1]=4 8432 B14R1.40 N#CCCCOCCCC1CCCC1 7a_100011215328_100000687738 [0,0,0,1,0,0|2,0,1]=4 8433 B14R1.40 N#CCCCSCCCC1CCCC1 62a_100000687738_100011713738 [0,0,0,1,0,0|2,0,1]=4 8434 B14R1.40 N#CCCCSCCCC1CCCC1 62a_100011713738_100000687738 [0,0,0,1,0,0|2,0,1]=4 8435 B14R1.40 NCCCCCCCOC1CCCC1 34a_100011996573_100000179811 [0,0,0,1,0,0|2,0,1]=4 8436 B14R1.40 NCCCCCCOCC1CCCC1 34a_100000686447_100000740388 [0,0,0,1,0,0|2,0,1]=4 8437 B14R1.40 NCCCCCOCCC1CCCC1 34a_100000762737_100000760354 [0,0,0,1,0,0|2,0,1]=4 8438 B14R1.40 NCCCCOCCCC1CCCC1 34a_100000750430_100011713738 [0,0,0,1,0,0|2,0,1]=4 8439 B14R1.40 O=CCCCCCNCC1CCCC1 2230a_100000737975_100000139337 [0,0,0,1,0,0|1,0,0]=2 8440 B14R1.40 O=CCCCCCNCC1CCOC1 2230a_100000737293_100000139337 [0,0,0,1,0,0|2,0,0]=3 8441 B14R1.40 O=CCCCCCNCC1OCCO1 2230a_100000036311_100000139337 [0,0,0,1,0,0|3,0,0]=4 8442 B14R1.40 O=CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139337 [0,0,0,1,0,0|2,0,0]=3 8443 B14R1.40 O=CCCCCCOCC1CCCC1 7a_100000742336_100000139337 [0,0,0,1,0,0|1,0,0]=2 8444 B14R1.40 O=CCCCCCOCC1CCCO1 7a_100000210270_100000139337 [0,0,0,1,0,0|2,0,0]=3 8445 B14R1.40 O=CCCCCCSCC1CCCC1 62a_100000139337_100000740388 [0,0,0,1,0,0|1,0,0]=2 8446 B14R1.40 O=CCCCCCSCC1CCCC1 62a_100000740388_100000139337 [0,0,0,1,0,0|1,0,0]=2 8447 B14R1.40 O=CCCCCCSCC1CCCO1 62a_100000139337_100000203698 [0,0,0,1,0,0|2,0,0]=3 8448 B14R1.40 O=CCCCCCSCC1CCCO1 62a_100000203698_100000139337 [0,0,0,1,0,0|2,0,0]=3 8449 B14R1.40 O=CCCCCCSCC1CCOC1 62a_100000139337_100000702531 [0,0,0,1,0,0|2,0,0]=3 8450 B14R1.40 O=CCCCCCSCC1CCOC1 62a_100000702531_100000139337 [0,0,0,1,0,0|2,0,0]=3 8451 B14R1.40 O=CCCCCCSCC1OCCO1 62a_100000139337_100000755774 [0,0,0,1,0,0|3,0,0]=4 8452 B14R1.40 O=CCCCCCSCC1OCCO1 62a_100000755774_100000139337 [0,0,0,1,0,0|3,0,0]=4 8453 B14R1.40 O=CCCCCNCCC1CCCC1 2230a_100000739158_100000139335 [0,0,0,1,0,0|1,0,0]=2 8454 B14R1.40 O=CCCCCNCCC1OCCO1 2230a_100000034215_100000139335 [0,0,0,1,0,0|3,0,0]=4 8455 B14R1.40 O=CCCCCOCCC1CCCC1 7a_100000749090_100000139335 [0,0,0,1,0,0|1,0,0]=2 8456 B14R1.40 O=CCCCCSCCC1CCCC1 62a_100000139335_100000760354 [0,0,0,1,0,0|1,0,0]=2 8457 B14R1.40 O=CCCCCSCCC1CCCC1 62a_100000760354_100000139335 [0,0,0,1,0,0|1,0,0]=2 8458 B14R1.40 O=CCCCCSCCC1OCCO1 62a_100000139335_100000740749 [0,0,0,1,0,0|3,0,0]=4 8459 B14R1.40 O=CCCCCSCCN1CCCC1 62a_100000139335_100000004467 [0,0,0,1,0,0|2,0,0]=3 8460 B14R1.40 O=CCCCCSCCN1CCCC1 62a_100000700749_100000139335 [0,0,0,1,0,0|2,0,0]=3 8461 B14R1.40 O=CCCCNCCCC1CCCC1 2230a_100000736752_200011292268 [0,0,0,1,0,0|1,0,0]=2 8462 B14R1.40 O=CCCCOCCCC1CCCC1 7a_100011215328_200011292268 [0,0,0,1,0,0|1,0,0]=2 8463 B14R1.40 O=CCCCOCCCC1OCCO1 7a_100009871617_200011292268 [0,0,0,1,0,0|3,0,0]=4 8464 B14R1.40 O=CCCCOCCOC1CCCC1 7a_100000738311_200011292268 [0,0,0,1,0,0|2,0,0]=3 8465 B14R1.40 O=CCCCSCCCC1CCCC1 62a_100011713738_200011292268 [0,0,0,1,0,0|1,0,0]=2 8466 B14R1.40 O=CCCCSCCCC1CCCC1 62a_200011292268_100011713738 [0,0,0,1,0,0|1,0,0]=2 8467 B14R1.40 O=CCCCSCCCC1OCCO1 62a_200011292268_100000042513 [0,0,0,1,0,0|3,0,0]=4 8468 B14R1.40 O=CCCCSCCCN1CCCC1 62a_100016991639_200011292268 [0,0,0,1,0,0|2,0,0]=3 8469 B14R1.40 O=CCCCSCCCN1CCCC1 62a_200011292268_100011445909 [0,0,0,1,0,0|2,0,0]=3 8470 B14R1.40 O=CCOCCCCOC1CCCO1 34a_100011018183_200009817547 [0,0,0,1,0,0|3,0,0]=4 8471 B14R1.40 O=CCOCCCCOC1CCCO1 7a_100011018183_200015260668 [0,0,0,1,0,0|3,0,0]=4 8472 B14R1.40 OCCCCCCCCN1CCCC1 2230a_100000188435_100000033203 [0,0,0,1,0,0|1,0,2]=4 8473 B14R1.40 OCCCCCCCCN1CCCC1 269982a_100000188435_100000033203 [0,0,0,1,0,0|1,0,2]=4 8474 B14R1.40 OCCCCCCCNC1CCCC1 2230a_100000211070_100000760002 [0,0,0,1,0,0|1,0,2]=4 8475 B14R1.40 OCCCCCCCNC1CCCC1 2230a_100011996573_100000179811 [0,0,0,1,0,0|1,0,2]=4 8476 B14R1.40 OCCCCCCCNC1CCCC1 270004a_100011996573_100000210133 [0,0,0,1,0,0|1,0,2]=4 8477 B14R1.40 OCCCCCCCNC1CCCC1 34a_100000211070_100000760002 [0,0,0,1,0,0|1,0,2]=4 8478 B14R1.40 OCCCCCCCNC1CCCC1 34a_100011996573_100000179811 [0,0,0,1,0,0|1,0,2]=4 8479 B14R1.40 OCCCCCCCOC1CCCC1 34a_100000210269_100000760002 [0,0,0,1,0,0|1,0,2]=4 8480 B14R1.40 OCCCCCCCOC1CCCC1 7a_100000210269_100000760002 [0,0,0,1,0,0|1,0,2]=4 8481 B14R1.40 OCCCCCCCSC1CCCC1 62a_100000760002_100000179811 [0,0,0,1,0,0|1,0,2]=4 8482 B14R1.40 OCCCCCCCSC1CCCC1 62a_100011217020_100000760002 [0,0,0,1,0,0|1,0,2]=4 8483 B14R1.40 OCCCCCCNCC1CCCC1 2230a_100000686447_100000740388 [0,0,0,1,0,0|1,0,2]=4 8484 B14R1.40 OCCCCCCNCC1CCCC1 2230a_100000737975_100000766143 [0,0,0,1,0,0|1,0,2]=4 8485 B14R1.40 OCCCCCCNCC1CCCC1 269862a_100000686447_100000746403 [0,0,0,1,0,0|1,0,2]=4 8486 B14R1.40 OCCCCCCNCC1CCCC1 34a_100000686447_100000740388 [0,0,0,1,0,0|1,0,2]=4 8487 B14R1.40 OCCCCCCNCC1CCCC1 34a_100000737975_100000766143 [0,0,0,1,0,0|1,0,2]=4 8488 B14R1.40 OCCCCCCOCC1CCCC1 34a_100000742336_100000766143 [0,0,0,1,0,0|1,0,2]=4 8489 B14R1.40 OCCCCCCOCC1CCCC1 7a_100000742336_100000766143 [0,0,0,1,0,0|1,0,2]=4 8490 B14R1.40 OCCCCCCSCC1CCCC1 62a_100000740388_100000766143 [0,0,0,1,0,0|1,0,2]=4 8491 B14R1.40 OCCCCCCSCC1CCCC1 62a_100000766143_100000740388 [0,0,0,1,0,0|1,0,2]=4 8492 B14R1.40 OCCCCCNCCC1CCCC1 2230a_100000739158_100000746330 [0,0,0,1,0,0|1,0,2]=4 8493 B14R1.40 OCCCCCNCCC1CCCC1 2230a_100000762737_100000760354 [0,0,0,1,0,0|1,0,2]=4 8494 B14R1.40 OCCCCCNCCC1CCCC1 34a_100000739158_100000746330 [0,0,0,1,0,0|1,0,2]=4 8495 B14R1.40 OCCCCCNCCC1CCCC1 34a_100000762737_100000760354 [0,0,0,1,0,0|1,0,2]=4 8496 B14R1.40 OCCCCCOCCC1CCCC1 34a_100000749090_100000746330 [0,0,0,1,0,0|1,0,2]=4 8497 B14R1.40 OCCCCCOCCC1CCCC1 7a_100000749090_100000746330 [0,0,0,1,0,0|1,0,2]=4 8498 B14R1.40 OCCCCCSCCC1CCCC1 62a_100000746330_100000760354 [0,0,0,1,0,0|1,0,2]=4 8499 B14R1.40 OCCCCCSCCC1CCCC1 62a_100000760354_100000746330 [0,0,0,1,0,0|1,0,2]=4 8500 B14R1.40 OCCCCNCCCC1CCCC1 2230a_100000736752_100000210776 [0,0,0,1,0,0|1,0,2]=4 8501 B14R1.40 OCCCCNCCCC1CCCC1 2230a_100000750430_100011713738 [0,0,0,1,0,0|1,0,2]=4 8502 B14R1.40 OCCCCNCCCC1CCCC1 34a_100000736752_100011216708 [0,0,0,1,0,0|1,0,2]=4 8503 B14R1.40 OCCCCNCCCC1CCCC1 34a_100000750430_100011713738 [0,0,0,1,0,0|1,0,2]=4 8504 B14R1.40 OCCCCOCCCC1CCCC1 34a_100011215328_100011216708 [0,0,0,1,0,0|1,0,2]=4 8505 B14R1.40 OCCCCOCCCC1CCCC1 7a_100011215328_100000210776 [0,0,0,1,0,0|1,0,2]=4 8506 B14R1.40 OCCCCSCCCC1CCCC1 62a_100000210776_100011713738 [0,0,0,1,0,0|1,0,2]=4 8507 B14R1.40 OCCCCSCCCC1CCCC1 62a_100011713738_100000210776 [0,0,0,1,0,0|1,0,2]=4 8508 B14R1.62 C#CCCCCCN1CCCC1CC 2230a_100000754278_100012094781 [0,0,0,1,0,0|2,0,1]=4 8509 B14R1.62 C#CCCCCCN1CCCC1CC 269982a_100000754278_100012094781 [0,0,0,1,0,0|2,0,1]=4 8510 B14R1.62 C#CCCCCCN1CCCC1CC 34a_100000754278_100012094781 [0,0,0,1,0,0|2,0,1]=4 8511 B14R1.62 C=CCCCCCN1CCCC1CC 2230a_100000754278_100000700193 [0,0,0,1,0,0|2,0,0]=3 8512 B14R1.62 C=CCCCCCN1CCCC1CC 269982a_100000754278_100000700193 [0,0,0,1,0,0|2,0,0]=3 8513 B14R1.62 C=CCCCCCN1CCCC1CC 34a_100000754278_100000700193 [0,0,0,1,0,0|2,0,0]=3 8514 B14R1.62 C=CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000700193 [0,0,0,1,0,0|3,0,0]=4 8515 B14R1.62 C=CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000700193 [0,0,0,1,0,0|3,0,0]=4 8516 B14R1.62 C=CCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000700193 [0,0,0,1,0,0|3,0,0]=4 8517 B14R1.62 C=CCCCCNC1CCCC1CC 269862a_100000703577_100000749056 [0,0,0,1,0,0|2,0,0]=3 8518 B14R1.62 C=CCCCCNC1CCCC1CC 270004a_100000703577_100000749056 [0,0,0,1,0,0|2,0,0]=3 8519 B14R1.62 C=CCCCNCC1CCCN1CC 2230a_100000211693_100011713584 [0,0,0,1,0,0|3,0,0]=4 8520 B14R1.62 C=CCCCOC[C@H]1CCCN1CC 34a_100011739246_100000757094 [0,0,0,1,0,0|3,0,0]=4 8521 B14R1.62 C=CCCCOC[C@H]1CCCN1CC 7a_100011739246_100000757094 [0,0,0,1,0,0|3,0,0]=4 8522 B14R1.62 C=COCCCNC1CCCC1CC 269862a_100000210767_100000749056 [0,0,0,1,0,0|3,0,0]=4 8523 B14R1.62 C=COCCCNC1CCCC1CC 270004a_100000210767_100000749056 [0,0,0,1,0,0|3,0,0]=4 8524 B14R1.62 CCC1C=CCN1CCCCCC=O 2230a_100000730860_100000139337 [0,0,0,1,0,0|1,0,2]=4 8525 B14R1.62 CCC1C=CCN1CCCCCC=O 269982a_100000730860_100000139337 [0,0,0,1,0,0|1,0,2]=4 8526 B14R1.62 CCC1CCCC1NCCCCC#N 270004a_100000751965_100000749056 [0,0,0,1,0,0|2,0,1]=4 8527 B14R1.62 CCC1CCCC1NCCCCCO 269862a_100000762737_100000749056 [0,0,0,1,0,0|1,0,2]=4 8528 B14R1.62 CCC1CCCC1NCCCCCO 270004a_100000762737_100000749056 [0,0,0,1,0,0|1,0,2]=4 8529 B14R1.62 CCC1CCCN1CCCCCC#N 2230a_100000754278_100009813376 [0,0,0,1,0,0|2,0,1]=4 8530 B14R1.62 CCC1CCCN1CCCCCC#N 269982a_100000754278_100009813376 [0,0,0,1,0,0|2,0,1]=4 8531 B14R1.62 CCC1CCCN1CCCCCC=O 2230a_100000754278_100000139337 [0,0,0,1,0,0|1,0,0]=2 8532 B14R1.62 CCC1CCCN1CCCCCC=O 269982a_100000754278_100000139337 [0,0,0,1,0,0|1,0,0]=2 8533 B14R1.62 CCC1CCCN1CCCCCCF 2230a_100000754278_100015922095 [0,0,0,1,0,0|2,0,1]=4 8534 B14R1.62 CCC1CCCN1CCCCCCF 269982a_100000754278_100015922095 [0,0,0,1,0,0|2,0,1]=4 8535 B14R1.62 CCC1CCCN1CCCCCCF 34a_100000754278_100015922095 [0,0,0,1,0,0|2,0,1]=4 8536 B14R1.62 CCC1CCCN1CCCCCCO 2230a_100000754278_100000766143 [0,0,0,1,0,0|1,0,2]=4 8537 B14R1.62 CCC1CCCN1CCCCCCO 269982a_100000754278_100000766143 [0,0,0,1,0,0|1,0,2]=4 8538 B14R1.62 CCC1CCCN1CCCCCCO 34a_100000754278_100000766143 [0,0,0,1,0,0|1,0,2]=4 8539 B14R1.62 CCCCCCCC1CCCC1NC 269862a_106832991636_200011216720 [0,0,0,1,0,0|2,0,0]=3 8540 B14R1.62 CCCCCCCC1CCCC1NC 270004a_106832991635_200011216720 [0,0,0,1,0,0|2,0,0]=3 8541 B14R1.62 CCCCCCCN1CCCC1C#N 2230a_100000701862_100000210681 [0,0,0,1,0,0|2,0,1]=4 8542 B14R1.62 CCCCCCCN1CCCC1CC 2230a_100000754278_100000210681 [0,0,0,1,0,0|2,0,1]=4 8543 B14R1.62 CCCCCCCN1CCCC1CC 269982a_100000754278_100000210681 [0,0,0,1,0,0|2,0,1]=4 8544 B14R1.62 CCCCCCCN1CCCC1CC 34a_100000754278_100000210614 [0,0,0,1,0,0|2,0,1]=4 8545 B14R1.62 CCCCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210681 [0,0,0,1,0,0|2,0,1]=4 8546 B14R1.62 CCCCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210681 [0,0,0,1,0,0|2,0,1]=4 8547 B14R1.62 CCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210681 [0,0,0,1,0,0|1,0,2]=4 8548 B14R1.62 CCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210681 [0,0,0,1,0,0|1,0,2]=4 8549 B14R1.62 CCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000210614 [0,0,0,1,0,0|1,0,2]=4 8550 B14R1.62 CCCCCCNC1CCCC1CC 269862a_100000210581_100000749056 [0,0,0,1,0,0|2,0,1]=4 8551 B14R1.62 CCCCCCNC1CCCC1CC 270004a_100000210581_100000749056 [0,0,0,1,0,0|2,0,1]=4 8552 B14R1.62 CCCCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210314 [0,0,0,1,0,0|2,0,1]=4 8553 B14R1.62 CCCCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210314 [0,0,0,1,0,0|2,0,1]=4 8554 B14R1.62 CCN1CCCC1CNCCCC=O 2230a_100000211693_200011292268 [0,0,0,1,0,0|2,0,0]=3 8555 B14R1.62 CCN1CCC[C@@H]1COCCCC=O 7a_100011739246_200011292268 [0,0,0,1,0,0|2,0,0]=3 8556 B14R1.62 N#CC1CCCN1CCCCCC=O 2230a_100000701862_100000139337 [0,0,0,1,0,0|2,0,1]=4 8557 B14R1.62 N#C[C@@H]1CCC[C@H]1OCCCCC=O 7a_100011907464_100000139335 [0,0,0,1,0,0|2,0,1]=4 8558 B14R1.62 N#C[C@H]1CCCN1CCCCCC=O 2230a_106645074975_100000139337 [0,0,0,1,0,0|2,0,1]=4 8559 B14R1.62 N#C[C@H]1CCCN1CCCCCC=O 269982a_106645074975_100000139337 [0,0,0,1,0,0|2,0,1]=4 8560 B14R1.62 O=CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139337 [0,0,0,1,0,0|2,0,0]=3 8561 B14R1.62 O=CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139337 [0,0,0,1,0,0|2,0,0]=3 8562 B14R1.123 BrCCCCCCOC1C=CCCC1 7a_100011215345_100000751183 [0,0,0,1,0,0|3,0,0]=4 8563 B14R1.123 BrCCCCCCOC1CCCCC1 34a_100011215345_100000210327 [0,0,0,1,0,0|2,0,1]=4 8564 B14R1.123 BrCCCCCCOC1CCCCC1 7a_100011215345_100000210327 [0,0,0,1,0,0|2,0,1]=4 8565 B14R1.123 BrCCCCCOCC1CCCCC1 34a_100000746331_100000211423 [0,0,0,1,0,0|2,0,1]=4 8566 B14R1.123 BrCCCCCOCC1CCCCC1 7a_100000746331_100000211423 [0,0,0,1,0,0|2,0,1]=4 8567 B14R1.123 BrCCCCOCCC1CCCCC1 34a_100011216708_100011209188 [0,0,0,1,0,0|2,0,1]=4 8568 B14R1.123 BrCCCOCCCC1CCCCC1 34a_100011217188_100011713725 [0,0,0,1,0,0|2,0,1]=4 8569 B14R1.123 C#CCCCCCNC1CCCCC1 2230a_100000182618_100012094781 [0,0,0,1,0,0|2,0,1]=4 8570 B14R1.123 C#CCCCCCNC1CCCCC1 34a_100000182618_100012094781 [0,0,0,1,0,0|2,0,1]=4 8571 B14R1.123 C#CCCCCCOC1CCCCC1 34a_100000210231_100012094781 [0,0,0,1,0,0|2,0,1]=4 8572 B14R1.123 C#CCCCCCOC1CCCCC1 34a_100000766912_100000210327 [0,0,0,1,0,0|2,0,1]=4 8573 B14R1.123 C#CCCCCCOC1CCCCC1 7a_100000210231_100012094781 [0,0,0,1,0,0|2,0,1]=4 8574 B14R1.123 C#CCCCCCOC1CCCCC1 7a_100000766912_100000210327 [0,0,0,1,0,0|2,0,1]=4 8575 B14R1.123 C#CCCCCCSC1CCCCC1 62a_100000210327_100012094781 [0,0,0,1,0,0|2,0,1]=4 8576 B14R1.123 C#CCCCCCSC1CCCCC1 62a_100012094781_100000210327 [0,0,0,1,0,0|2,0,1]=4 8577 B14R1.123 C#CCCCCNCC1CCCCC1 2230a_100000210473_100010269958 [0,0,0,1,0,0|2,0,1]=4 8578 B14R1.123 C#CCCCCNCC1CCCCC1 2230a_100000706060_100000211423 [0,0,0,1,0,0|2,0,1]=4 8579 B14R1.123 C#CCCCCNCC1CCCCC1 34a_100000210473_100010269958 [0,0,0,1,0,0|2,0,1]=4 8580 B14R1.123 C#CCCCCNCC1CCCCC1 34a_100000706060_100000211423 [0,0,0,1,0,0|2,0,1]=4 8581 B14R1.123 C#CCCCCOCC1CCCCC1 34a_100000212181_100010269958 [0,0,0,1,0,0|2,0,1]=4 8582 B14R1.123 C#CCCCCOCC1CCCCC1 34a_100000766709_100000211423 [0,0,0,1,0,0|2,0,1]=4 8583 B14R1.123 C#CCCCCOCC1CCCCC1 7a_100000212181_100010269958 [0,0,0,1,0,0|2,0,1]=4 8584 B14R1.123 C#CCCCCOCC1CCCCC1 7a_100000766709_100000211423 [0,0,0,1,0,0|2,0,1]=4 8585 B14R1.123 C#CCCCCSCC1CCCCC1 62a_100000211423_100010269958 [0,0,0,1,0,0|2,0,1]=4 8586 B14R1.123 C#CCCCCSCC1CCCCC1 62a_100010269958_100000211423 [0,0,0,1,0,0|2,0,1]=4 8587 B14R1.123 C#CCCCNCCC1CCCCC1 2230a_100000738074_100000731252 [0,0,0,1,0,0|2,0,1]=4 8588 B14R1.123 C#CCCCNCCC1CCCCC1 270004a_100000718082_100011713444 [0,0,0,1,0,0|2,0,1]=4 8589 B14R1.123 C#CCCCNCCC1CCCCC1 34a_100000718082_100011209188 [0,0,0,1,0,0|2,0,1]=4 8590 B14R1.123 C#CCCCNCCC1CCCCC1 34a_100000738074_100000695029 [0,0,0,1,0,0|2,0,1]=4 8591 B14R1.123 C#CCCCOCCC1CCCCC1 34a_100000215630_100011209188 [0,0,0,1,0,0|2,0,1]=4 8592 B14R1.123 C#CCCCOCCC1CCCCC1 34a_100011217863_100000695029 [0,0,0,1,0,0|2,0,1]=4 8593 B14R1.123 C#CCCCOCCC1CCCCC1 7a_100000215630_100011273959 [0,0,0,1,0,0|2,0,1]=4 8594 B14R1.123 C#CCCCOCCC1CCCCC1 7a_100011217863_100011215417 [0,0,0,1,0,0|2,0,1]=4 8595 B14R1.123 C#CCCCSCCC1CCCCC1 62a_100011215417_100012355289 [0,0,0,1,0,0|2,0,1]=4 8596 B14R1.123 C#CCCCSCCC1CCCCC1 62a_100012355289_100011215417 [0,0,0,1,0,0|2,0,1]=4 8597 B14R1.123 C#CCCNCCCC1CCCCC1 2230a_100011211642_100000688953 [0,0,0,1,0,0|2,0,1]=4 8598 B14R1.123 C#CCCNCCCC1CCCCC1 34a_100000755551_100011713725 [0,0,0,1,0,0|2,0,1]=4 8599 B14R1.123 C#CCCNCCCC1CCCCC1 34a_100011211642_100000688953 [0,0,0,1,0,0|2,0,1]=4 8600 B14R1.123 C#CCCOCCCC1CCCCC1 34a_100000198086_100000688953 [0,0,0,1,0,0|2,0,1]=4 8601 B14R1.123 C#CCCOCCCC1CCCCC1 34a_100011215631_100011713725 [0,0,0,1,0,0|2,0,1]=4 8602 B14R1.123 C#CCCOCCCC1CCCCC1 7a_100000198086_100000688953 [0,0,0,1,0,0|2,0,1]=4 8603 B14R1.123 C#CCCSCCCC1CCCCC1 62a_100000688953_100011713725 [0,0,0,1,0,0|2,0,1]=4 8604 B14R1.123 C#CCCSCCCC1CCCCC1 62a_100011713725_100000688953 [0,0,0,1,0,0|2,0,1]=4 8605 B14R1.123 C#CCOCCCCC1CCCCC1 34a_100011215267_100000184674 [0,0,0,1,0,0|2,0,1]=4 8606 B14R1.123 C#CCOCCCCC1CCCCC1 7a_100011215267_100000038162 [0,0,0,1,0,0|2,0,1]=4 8607 B14R1.123 C/C=C/CCOCCC1CCCCC1 34a_100016278192_100011209188 [0,0,0,1,0,0|2,0,1]=4 8608 B14R1.123 C/C=C/CNCCCC1CCCCC1 34a_100011211642_100102629194 [0,0,0,1,0,0|2,0,1]=4 8609 B14R1.123 C/C=C/COCCCC1CCCCC1 34a_100000198086_100102629194 [0,0,0,1,0,0|2,0,1]=4 8610 B14R1.123 C/C=C/COCCCC1CCCCC1 34a_100016270725_100011713725 [0,0,0,1,0,0|2,0,1]=4 8611 B14R1.123 C/C=C/COCCCC1CCCCC1 7a_100000198086_100102629194 [0,0,0,1,0,0|2,0,1]=4 8612 B14R1.123 C/C=C/CSCCCC1CCCCC1 62a_100011713725_100102629194 [0,0,0,1,0,0|2,0,1]=4 8613 B14R1.123 C/C=C/CSCCCC1CCCCC1 62a_100102629194_100011713725 [0,0,0,1,0,0|2,0,1]=4 8614 B14R1.123 C=CCCCCCCN1CCCOC1 2230a_100000131196_100011215473 [0,0,0,1,0,0|3,0,0]=4 8615 B14R1.123 C=CCCCCCCN1CCCOC1 269982a_100000131196_100011215473 [0,0,0,1,0,0|3,0,0]=4 8616 B14R1.123 C=CCCCCCCN1CCCOC1 34a_100000131196_100011215473 [0,0,0,1,0,0|3,0,0]=4 8617 B14R1.123 C=CCCCCCCN1CCOCC1 2230a_100015191051_100011215473 [0,0,0,1,0,0|3,0,0]=4 8618 B14R1.123 C=CCCCCCCN1CCOCC1 269982a_100015191051_100011215473 [0,0,0,1,0,0|3,0,0]=4 8619 B14R1.123 C=CCCCCCCN1CCOCC1 34a_100015191051_100011215473 [0,0,0,1,0,0|3,0,0]=4 8620 B14R1.123 C=CCCCCCCN1CCSCC1 2230a_100000737611_100011215473 [0,0,0,1,0,0|3,0,0]=4 8621 B14R1.123 C=CCCCCCCN1CCSCC1 269982a_100000737611_100011215473 [0,0,0,1,0,0|3,0,0]=4 8622 B14R1.123 C=CCCCCCNC1CCCCC1 2230a_100000182618_100000700193 [0,0,0,1,0,0|2,0,0]=3 8623 B14R1.123 C=CCCCCCNC1CCCCC1 34a_100000182618_100000700193 [0,0,0,1,0,0|2,0,0]=3 8624 B14R1.123 C=CCCCCCNC1CCCOC1 2230a_100000719290_100000700193 [0,0,0,1,0,0|3,0,0]=4 8625 B14R1.123 C=CCCCCCNC1CCCOC1 34a_100000719290_100000700193 [0,0,0,1,0,0|3,0,0]=4 8626 B14R1.123 C=CCCCCCNC1CCOCC1 2230a_100000741149_100000700193 [0,0,0,1,0,0|3,0,0]=4 8627 B14R1.123 C=CCCCCCNC1CCOCC1 34a_100000741149_100000700193 [0,0,0,1,0,0|3,0,0]=4 8628 B14R1.123 C=CCCCCCNC1CCSCC1 2230a_100000748639_100000700193 [0,0,0,1,0,0|3,0,0]=4 8629 B14R1.123 C=CCCCCCNC1CCSCC1 34a_100000748639_100000700193 [0,0,0,1,0,0|3,0,0]=4 8630 B14R1.123 C=CCCCCCOC1CCCCC1 34a_100000210231_100000700193 [0,0,0,1,0,0|2,0,0]=3 8631 B14R1.123 C=CCCCCCOC1CCCCC1 34a_100011216702_100000210327 [0,0,0,1,0,0|2,0,0]=3 8632 B14R1.123 C=CCCCCCOC1CCCCC1 7a_100000210231_100000700193 [0,0,0,1,0,0|2,0,0]=3 8633 B14R1.123 C=CCCCCCOC1CCCCC1 7a_100011216702_100000210327 [0,0,0,1,0,0|2,0,0]=3 8634 B14R1.123 C=CCCCCCOC1CCCCO1 34a_100000033831_100000700193 [0,0,0,1,0,0|3,0,0]=4 8635 B14R1.123 C=CCCCCCOC1CCCOC1 34a_100000754041_100000700193 [0,0,0,1,0,0|3,0,0]=4 8636 B14R1.123 C=CCCCCCOC1CCCOC1 34a_100011216702_100000693364 [0,0,0,1,0,0|3,0,0]=4 8637 B14R1.123 C=CCCCCCOC1CCCOC1 7a_100011216702_100000693364 [0,0,0,1,0,0|3,0,0]=4 8638 B14R1.123 C=CCCCCCOC1CCCSC1 7a_100015962668_100000700193 [0,0,0,1,0,0|3,0,0]=4 8639 B14R1.123 C=CCCCCCOC1CCOCC1 34a_100000744328_100000700193 [0,0,0,1,0,0|3,0,0]=4 8640 B14R1.123 C=CCCCCCOC1CCOCC1 7a_100011216702_100000686592 [0,0,0,1,0,0|3,0,0]=4 8641 B14R1.123 C=CCCCCCOC1CCSCC1 34a_100000731022_100000700193 [0,0,0,1,0,0|3,0,0]=4 8642 B14R1.123 C=CCCCCCOC1CCSCC1 34a_100011216702_100000069128 [0,0,0,1,0,0|3,0,0]=4 8643 B14R1.123 C=CCCCCCOC1CCSCC1 7a_100000731022_100000700193 [0,0,0,1,0,0|3,0,0]=4 8644 B14R1.123 C=CCCCCCOC1CCSCC1 7a_100011216702_100011500858 [0,0,0,1,0,0|3,0,0]=4 8645 B14R1.123 C=CCCCCCSC1CCCCC1 62a_100000210327_100000700193 [0,0,0,1,0,0|2,0,0]=3 8646 B14R1.123 C=CCCCCCSC1CCCCC1 62a_100000700193_100000210327 [0,0,0,1,0,0|2,0,0]=3 8647 B14R1.123 C=CCCCCCSC1CCCOC1 62a_100000700193_100000693364 [0,0,0,1,0,0|3,0,0]=4 8648 B14R1.123 C=CCCCCCSC1CCOCC1 62a_100000700193_100011324220 [0,0,0,1,0,0|3,0,0]=4 8649 B14R1.123 C=CCCCCCSC1CCSCC1 62a_100000700193_100000069128 [0,0,0,1,0,0|3,0,0]=4 8650 B14R1.123 C=CCCCCNCC1CCCCC1 2230a_100000210473_100011215482 [0,0,0,1,0,0|2,0,0]=3 8651 B14R1.123 C=CCCCCNCC1CCCCC1 2230a_100000703577_100000211423 [0,0,0,1,0,0|2,0,0]=3 8652 B14R1.123 C=CCCCCNCC1CCCCC1 269862a_100000703577_100000211278 [0,0,0,1,0,0|2,0,0]=3 8653 B14R1.123 C=CCCCCNCC1CCCCC1 34a_100000210473_100011215482 [0,0,0,1,0,0|2,0,0]=3 8654 B14R1.123 C=CCCCCNCC1CCCCC1 34a_100000703577_100000211423 [0,0,0,1,0,0|2,0,0]=3 8655 B14R1.123 C=CCCCCNCC1CCCCO1 2230a_100000174945_100011215482 [0,0,0,1,0,0|3,0,0]=4 8656 B14R1.123 C=CCCCCNCC1CCCCO1 2230a_100000703577_100000211543 [0,0,0,1,0,0|3,0,0]=4 8657 B14R1.123 C=CCCCCNCC1CCCCO1 34a_100000174945_100011215482 [0,0,0,1,0,0|3,0,0]=4 8658 B14R1.123 C=CCCCCNCC1CCCCO1 34a_100000703577_100000211543 [0,0,0,1,0,0|3,0,0]=4 8659 B14R1.123 C=CCCCCNCC1CCCOC1 2230a_100000703577_100000741521 [0,0,0,1,0,0|3,0,0]=4 8660 B14R1.123 C=CCCCCNCC1CCCOC1 2230a_100000720124_100011215482 [0,0,0,1,0,0|3,0,0]=4 8661 B14R1.123 C=CCCCCNCC1CCCOC1 34a_100000703577_100000741521 [0,0,0,1,0,0|3,0,0]=4 8662 B14R1.123 C=CCCCCNCC1CCCOC1 34a_100000720124_100011215482 [0,0,0,1,0,0|3,0,0]=4 8663 B14R1.123 C=CCCCCNCC1CCOCC1 2230a_100000703577_100000754603 [0,0,0,1,0,0|3,0,0]=4 8664 B14R1.123 C=CCCCCNCC1CCOCC1 2230a_100000746373_100011215482 [0,0,0,1,0,0|3,0,0]=4 8665 B14R1.123 C=CCCCCNCC1CCOCC1 269862a_100000703577_100000749017 [0,0,0,1,0,0|3,0,0]=4 8666 B14R1.123 C=CCCCCNCC1CCOCC1 34a_100000703577_100000754603 [0,0,0,1,0,0|3,0,0]=4 8667 B14R1.123 C=CCCCCNCC1CCOCC1 34a_100000746373_100011215482 [0,0,0,1,0,0|3,0,0]=4 8668 B14R1.123 C=CCCCCNCC1CCSCC1 2230a_100015188806_100011215482 [0,0,0,1,0,0|3,0,0]=4 8669 B14R1.123 C=CCCCCNCC1CCSCC1 269862a_100000703577_100000067145 [0,0,0,1,0,0|3,0,0]=4 8670 B14R1.123 C=CCCCCNCC1CCSCC1 270004a_100000703577_100000067145 [0,0,0,1,0,0|3,0,0]=4 8671 B14R1.123 C=CCCCCNCC1CCSCC1 34a_100015188806_100011215482 [0,0,0,1,0,0|3,0,0]=4 8672 B14R1.123 C=CCCCCOCC1CCCCC1 34a_100000212181_100011215482 [0,0,0,1,0,0|2,0,0]=3 8673 B14R1.123 C=CCCCCOCC1CCCCC1 34a_100000766645_100000211423 [0,0,0,1,0,0|2,0,0]=3 8674 B14R1.123 C=CCCCCOCC1CCCCC1 7a_100000212181_100011215482 [0,0,0,1,0,0|2,0,0]=3 8675 B14R1.123 C=CCCCCOCC1CCCCC1 7a_100000766645_100000211423 [0,0,0,1,0,0|2,0,0]=3 8676 B14R1.123 C=CCCCCOCC1CCCCN1 34a_100000210821_100011215482 [0,0,0,1,0,0|3,0,0]=4 8677 B14R1.123 C=CCCCCOCC1CCCCO1 34a_100000211370_100011215482 [0,0,0,1,0,0|3,0,0]=4 8678 B14R1.123 C=CCCCCOCC1CCCCO1 34a_100000766645_100000211543 [0,0,0,1,0,0|3,0,0]=4 8679 B14R1.123 C=CCCCCOCC1CCCCO1 7a_100000211370_100011215482 [0,0,0,1,0,0|3,0,0]=4 8680 B14R1.123 C=CCCCCOCC1CCCCO1 7a_100000766645_100000211543 [0,0,0,1,0,0|3,0,0]=4 8681 B14R1.123 C=CCCCCOCC1CCCNC1 34a_100000211344_100011215482 [0,0,0,1,0,0|3,0,0]=4 8682 B14R1.123 C=CCCCCOCC1CCCOC1 34a_100000741520_100011215482 [0,0,0,1,0,0|3,0,0]=4 8683 B14R1.123 C=CCCCCOCC1CCCOC1 34a_100000766645_100000741521 [0,0,0,1,0,0|3,0,0]=4 8684 B14R1.123 C=CCCCCOCC1CCCOC1 7a_100000766645_100000741521 [0,0,0,1,0,0|3,0,0]=4 8685 B14R1.123 C=CCCCCOCC1CCNCC1 34a_100000738675_100011215482 [0,0,0,1,0,0|3,0,0]=4 8686 B14R1.123 C=CCCCCOCC1CCOCC1 34a_100000749013_100011215482 [0,0,0,1,0,0|3,0,0]=4 8687 B14R1.123 C=CCCCCOCC1CCOCC1 34a_100000766645_100000754603 [0,0,0,1,0,0|3,0,0]=4 8688 B14R1.123 C=CCCCCOCC1CCOCC1 7a_100000766645_100000754603 [0,0,0,1,0,0|3,0,0]=4 8689 B14R1.123 C=CCCCCOCC1CCSCC1 34a_100000070558_100011215482 [0,0,0,1,0,0|3,0,0]=4 8690 B14R1.123 C=CCCCCOCC1CCSCC1 7a_100000070558_100011215482 [0,0,0,1,0,0|3,0,0]=4 8691 B14R1.123 C=CCCCCSCC1CCCCC1 62a_100000211423_100011215482 [0,0,0,1,0,0|2,0,0]=3 8692 B14R1.123 C=CCCCCSCC1CCCCC1 62a_100011215482_100000211423 [0,0,0,1,0,0|2,0,0]=3 8693 B14R1.123 C=CCCCCSCC1CCCCO1 62a_100000211543_100011215482 [0,0,0,1,0,0|3,0,0]=4 8694 B14R1.123 C=CCCCCSCC1CCCCO1 62a_100011215482_100000211543 [0,0,0,1,0,0|3,0,0]=4 8695 B14R1.123 C=CCCCCSCC1CCCOC1 62a_100000741521_100011215482 [0,0,0,1,0,0|3,0,0]=4 8696 B14R1.123 C=CCCCCSCC1CCCOC1 62a_100011215482_100000741521 [0,0,0,1,0,0|3,0,0]=4 8697 B14R1.123 C=CCCCCSCC1CCOCC1 62a_100000754603_100011215482 [0,0,0,1,0,0|3,0,0]=4 8698 B14R1.123 C=CCCCCSCC1CCOCC1 62a_100011215482_100000749018 [0,0,0,1,0,0|3,0,0]=4 8699 B14R1.123 C=CCCCNCCC1CCCCC1 2230a_100000700776_100012355289 [0,0,0,1,0,0|2,0,0]=3 8700 B14R1.123 C=CCCCNCCC1CCCCC1 2230a_100000738074_100011713584 [0,0,0,1,0,0|2,0,0]=3 8701 B14R1.123 C=CCCCNCCC1CCCCC1 270004a_100000700776_100011713444 [0,0,0,1,0,0|2,0,0]=3 8702 B14R1.123 C=CCCCNCCC1CCCCC1 34a_100000700776_100011209188 [0,0,0,1,0,0|2,0,0]=3 8703 B14R1.123 C=CCCCNCCC1CCCCC1 34a_100000738074_100000757094 [0,0,0,1,0,0|2,0,0]=3 8704 B14R1.123 C=CCCCNCCC1CCCCO1 2230a_100015183643_100011713584 [0,0,0,1,0,0|3,0,0]=4 8705 B14R1.123 C=CCCCNCCC1CCCCO1 34a_100015183643_100000757094 [0,0,0,1,0,0|3,0,0]=4 8706 B14R1.123 C=CCCCNCCC1CCOCC1 2230a_100000700776_100011934994 [0,0,0,1,0,0|3,0,0]=4 8707 B14R1.123 C=CCCCNCCC1CCOCC1 2230a_100000755988_100011713584 [0,0,0,1,0,0|3,0,0]=4 8708 B14R1.123 C=CCCCNCCC1CCOCC1 34a_100000700776_100011934994 [0,0,0,1,0,0|3,0,0]=4 8709 B14R1.123 C=CCCCNCCC1CCOCC1 34a_100000755988_100000757094 [0,0,0,1,0,0|3,0,0]=4 8710 B14R1.123 C=CCCCNCCN1CCCCC1 2230a_100000700776_100000739454 [0,0,0,1,0,0|3,0,0]=4 8711 B14R1.123 C=CCCCNCCN1CCCCC1 34a_100000700776_100000739454 [0,0,0,1,0,0|3,0,0]=4 8712 B14R1.123 C=CCCCNCOC1CCCCC1 2230a_100000700776_100011935260 [0,0,0,1,0,0|3,0,0]=4 8713 B14R1.123 C=CCCCNCOC1CCCCC1 34a_100000700776_100011935260 [0,0,0,1,0,0|3,0,0]=4 8714 B14R1.123 C=CCCCOCCC1CCCCC1 34a_100000758997_100011209188 [0,0,0,1,0,0|2,0,0]=3 8715 B14R1.123 C=CCCCOCCC1CCCCC1 34a_100011217863_100000757094 [0,0,0,1,0,0|2,0,0]=3 8716 B14R1.123 C=CCCCOCCC1CCCCC1 7a_100000758997_100011273959 [0,0,0,1,0,0|2,0,0]=3 8717 B14R1.123 C=CCCCOCCC1CCCCC1 7a_100011217863_100000757094 [0,0,0,1,0,0|2,0,0]=3 8718 B14R1.123 C=CCCCOCCC1CCCCN1 34a_100000211664_100000757094 [0,0,0,1,0,0|3,0,0]=4 8719 B14R1.123 C=CCCCOCCC1CCCNC1 34a_100000752241_100000757094 [0,0,0,1,0,0|3,0,0]=4 8720 B14R1.123 C=CCCCOCCC1CCNCC1 34a_100015190746_100000757094 [0,0,0,1,0,0|3,0,0]=4 8721 B14R1.123 C=CCCCOCCC1CCOCC1 34a_100000758997_100011934994 [0,0,0,1,0,0|3,0,0]=4 8722 B14R1.123 C=CCCCOCCC1CCOCC1 34a_100011933979_100000757094 [0,0,0,1,0,0|3,0,0]=4 8723 B14R1.123 C=CCCCOCCC1CCOCC1 7a_100000758997_100011934994 [0,0,0,1,0,0|3,0,0]=4 8724 B14R1.123 C=CCCCOCCC1CCOCC1 7a_100011933979_100000757094 [0,0,0,1,0,0|3,0,0]=4 8725 B14R1.123 C=CCCCOCCN1CCCCC1 34a_100000758997_100000739454 [0,0,0,1,0,0|3,0,0]=4 8726 B14R1.123 C=CCCCOCCN1CCCCC1 7a_100000758997_100000739454 [0,0,0,1,0,0|3,0,0]=4 8727 B14R1.123 C=CCCCOCOC1CCCCC1 34a_100000758997_100011935260 [0,0,0,1,0,0|3,0,0]=4 8728 B14R1.123 C=CCCCOCOC1CCCCC1 7a_100000758997_100011935260 [0,0,0,1,0,0|3,0,0]=4 8729 B14R1.123 C=CCCCSCCC1CCCCC1 62a_100011713584_100012355289 [0,0,0,1,0,0|2,0,0]=3 8730 B14R1.123 C=CCCCSCCC1CCCCC1 62a_100012355289_100000757094 [0,0,0,1,0,0|2,0,0]=3 8731 B14R1.123 C=CCCCSCCC1CCOCC1 62a_100011713584_100011934994 [0,0,0,1,0,0|3,0,0]=4 8732 B14R1.123 C=CCCCSCCC1CCOCC1 62a_100011934994_100000757094 [0,0,0,1,0,0|3,0,0]=4 8733 B14R1.123 C=CCCCSCCN1CCCCC1 62a_100000739454_100000757094 [0,0,0,1,0,0|3,0,0]=4 8734 B14R1.123 C=CCCCSCCN1CCCCC1 62a_100011713584_100000739454 [0,0,0,1,0,0|3,0,0]=4 8735 B14R1.123 C=CCCCSCOC1CCCCC1 62a_100011713584_100011935260 [0,0,0,1,0,0|3,0,0]=4 8736 B14R1.123 C=CCCCSCOC1CCCCC1 62a_100011935260_100000757094 [0,0,0,1,0,0|3,0,0]=4 8737 B14R1.123 C=CCCNCCCC1CCCCC1 2230a_100011211642_100000754431 [0,0,0,1,0,0|2,0,0]=3 8738 B14R1.123 C=CCCNCCCC1CCCCC1 2230a_100015191253_100011713725 [0,0,0,1,0,0|2,0,0]=3 8739 B14R1.123 C=CCCNCCCC1CCCCC1 34a_100011211642_100000754431 [0,0,0,1,0,0|2,0,0]=3 8740 B14R1.123 C=CCCNCCCN1CCCCC1 2230a_100015191253_100000690320 [0,0,0,1,0,0|3,0,0]=4 8741 B14R1.123 C=CCCNCCOC1CCCCC1 2230a_100015191253_100011211530 [0,0,0,1,0,0|3,0,0]=4 8742 B14R1.123 C=CCCNCCOC1CCCCC1 34a_100015206981_100000754431 [0,0,0,1,0,0|3,0,0]=4 8743 B14R1.123 C=CCCOCCCC1CCCCC1 34a_100000198086_100000754431 [0,0,0,1,0,0|2,0,0]=3 8744 B14R1.123 C=CCCOCCCC1CCCCC1 34a_100011205117_100011713725 [0,0,0,1,0,0|2,0,0]=3 8745 B14R1.123 C=CCCOCCCC1CCCCC1 7a_100000198086_100000754431 [0,0,0,1,0,0|2,0,0]=3 8746 B14R1.123 C=CCCOCCCC1CCCCN1 34a_100011934581_100000754431 [0,0,0,1,0,0|3,0,0]=4 8747 B14R1.123 C=CCCOCCCC1CCCNC1 34a_100150707839_100000754431 [0,0,0,1,0,0|3,0,0]=4 8748 B14R1.123 C=CCCOCCCC1CCNCC1 34a_100016988962_100000754431 [0,0,0,1,0,0|3,0,0]=4 8749 B14R1.123 C=CCCOCCCN1CCCCC1 34a_100000212458_100000754431 [0,0,0,1,0,0|3,0,0]=4 8750 B14R1.123 C=CCCOCCCN1CCCCC1 34a_100011205117_100000690320 [0,0,0,1,0,0|3,0,0]=4 8751 B14R1.123 C=CCCOCCNC1CCCCC1 34a_100000200466_100000754431 [0,0,0,1,0,0|3,0,0]=4 8752 B14R1.123 C=CCCOCCOC1CCCCC1 34a_100011205117_100011211530 [0,0,0,1,0,0|3,0,0]=4 8753 B14R1.123 C=CCCOCCOC1CCCCC1 34a_100011249652_100000754431 [0,0,0,1,0,0|3,0,0]=4 8754 B14R1.123 C=CCCOCCOC1CCCCC1 7a_100011249652_100000754431 [0,0,0,1,0,0|3,0,0]=4 8755 B14R1.123 C=CCCSCCCC1CCCCC1 62a_100000754431_100011713725 [0,0,0,1,0,0|2,0,0]=3 8756 B14R1.123 C=CCCSCCCC1CCCCC1 62a_100011713725_100000754431 [0,0,0,1,0,0|2,0,0]=3 8757 B14R1.123 C=CCCSCCCN1CCCCC1 62a_100000754431_100000007876 [0,0,0,1,0,0|3,0,0]=4 8758 B14R1.123 C=CCCSCCCN1CCCCC1 62a_100132302099_100000754431 [0,0,0,1,0,0|3,0,0]=4 8759 B14R1.123 C=CCCSCCOC1CCCCC1 62a_100000754431_100011211530 [0,0,0,1,0,0|3,0,0]=4 8760 B14R1.123 C=CCCSCCOC1CCCCC1 62a_100011211530_100000754431 [0,0,0,1,0,0|3,0,0]=4 8761 B14R1.123 C=CCNCCCOC1CCCCC1 34a_100000205933_100015514636 [0,0,0,1,0,0|3,0,0]=4 8762 B14R1.123 C=CCOCCCCC1CCCCC1 34a_100011215267_100015514636 [0,0,0,1,0,0|2,0,0]=3 8763 B14R1.123 C=CCOCCCCC1CCCCC1 7a_100011215267_100015514636 [0,0,0,1,0,0|2,0,0]=3 8764 B14R1.123 C=CCOCCCCC1CCNCC1 34a_100016989291_100015514636 [0,0,0,1,0,0|3,0,0]=4 8765 B14R1.123 C=CCOCCOCC1CCCCC1 34a_100000037705_100000211423 [0,0,0,1,0,0|3,0,0]=4 8766 B14R1.123 C=CCOCCOCC1CCCCC1 7a_100000037705_100000211423 [0,0,0,1,0,0|3,0,0]=4 8767 B14R1.123 C=COCCCCOC1CCCCC1 34a_100000031558_100000210327 [0,0,0,1,0,0|3,0,0]=4 8768 B14R1.123 C=COCCCCOC1CCCCC1 7a_100000031558_100000210327 [0,0,0,1,0,0|3,0,0]=4 8769 B14R1.123 C=COCCCNCC1CCCCC1 2230a_100000210767_100000211423 [0,0,0,1,0,0|3,0,0]=4 8770 B14R1.123 C=COCCCNCC1CCCCC1 269862a_100000210767_100000211278 [0,0,0,1,0,0|3,0,0]=4 8771 B14R1.123 C=COCCCNCC1CCCCC1 34a_100000210767_100000211423 [0,0,0,1,0,0|3,0,0]=4 8772 B14R1.123 C=COCCNCCC1CCCCC1 2230a_100000738074_100000039644 [0,0,0,1,0,0|3,0,0]=4 8773 B14R1.123 C=COCCNCCC1CCCCC1 34a_100000738074_100000039644 [0,0,0,1,0,0|3,0,0]=4 8774 B14R1.123 C=COCCOCCC1CCCCC1 34a_100000033082_100011209188 [0,0,0,1,0,0|3,0,0]=4 8775 B14R1.123 C=COCCOCCC1CCCCC1 34a_100011217863_100000039644 [0,0,0,1,0,0|3,0,0]=4 8776 B14R1.123 C=COCCOCCC1CCCCC1 7a_100011217863_100000039644 [0,0,0,1,0,0|3,0,0]=4 8777 B14R1.123 C=COCCSCCC1CCCCC1 62a_100000039644_100012355289 [0,0,0,1,0,0|3,0,0]=4 8778 B14R1.123 C=COCCSCCC1CCCCC1 62a_100012355289_100000039644 [0,0,0,1,0,0|3,0,0]=4 8779 B14R1.123 CC=CCCCOCC1CCCCC1 34a_100020645299_100000211423 [0,0,0,1,0,0|2,0,1]=4 8780 B14R1.123 CC=CCNCCCC1CCCCC1 2230a_100011211642_100000070051 [0,0,0,1,0,0|2,0,1]=4 8781 B14R1.123 CC=CCNCCCC1CCCCC1 34a_100011211642_100000070051 [0,0,0,1,0,0|2,0,1]=4 8782 B14R1.123 CC=CCOCCCC1CCCCC1 34a_100000198086_100000070051 [0,0,0,1,0,0|2,0,1]=4 8783 B14R1.123 CC=CCOCCCC1CCCCC1 7a_100000198086_100000070051 [0,0,0,1,0,0|2,0,1]=4 8784 B14R1.123 CC=CCSCCCC1CCCCC1 62a_100000070051_100011713725 [0,0,0,1,0,0|2,0,1]=4 8785 B14R1.123 CC=CCSCCCC1CCCCC1 62a_100011713725_100000070051 [0,0,0,1,0,0|2,0,1]=4 8786 B14R1.123 CCCCCCCCN1CC=CCC1 2230a_100000698166_100000210759 [0,0,0,1,0,0|2,0,1]=4 8787 B14R1.123 CCCCCCCCN1CC=CCC1 269982a_100000698166_100000210759 [0,0,0,1,0,0|2,0,1]=4 8788 B14R1.123 CCCCCCCCN1CC=CCC1 34a_100000698166_100000210759 [0,0,0,1,0,0|2,0,1]=4 8789 B14R1.123 CCCCCCCCN1CCCOC1 2230a_100000131196_100000210759 [0,0,0,1,0,0|3,0,0]=4 8790 B14R1.123 CCCCCCCCN1CCCOC1 269982a_100000131196_100000210759 [0,0,0,1,0,0|3,0,0]=4 8791 B14R1.123 CCCCCCCCN1CCCOC1 34a_100000131196_100000210759 [0,0,0,1,0,0|3,0,0]=4 8792 B14R1.123 CCCCCCCNC1C=CCCC1 2230a_100000229938_100000751183 [0,0,0,1,0,0|2,0,0]=3 8793 B14R1.123 CCCCCCCNC1CCCCC1 2230a_100000182618_100000210681 [0,0,0,1,0,0|2,0,1]=4 8794 B14R1.123 CCCCCCCNC1CCCCC1 270004a_100000229938_100000210434 [0,0,0,1,0,0|2,0,1]=4 8795 B14R1.123 CCCCCCCNC1CCCCC1 34a_100000182618_100000210614 [0,0,0,1,0,0|2,0,1]=4 8796 B14R1.123 CCCCCCCNC1CCCOC1 2230a_100000719290_100000210681 [0,0,0,1,0,0|3,0,0]=4 8797 B14R1.123 CCCCCCCNC1CCCOC1 270004a_100000229938_100000753404 [0,0,0,1,0,0|3,0,0]=4 8798 B14R1.123 CCCCCCCNC1CCCOC1 34a_100000719290_100000210614 [0,0,0,1,0,0|3,0,0]=4 8799 B14R1.123 CCCCCCCNC1CCCSC1 270004a_100000229938_100000057913 [0,0,0,1,0,0|3,0,0]=4 8800 B14R1.123 CCCCCCCOC1C=CCCC1 34a_100011215024_100000210614 [0,0,0,1,0,0|2,0,0]=3 8801 B14R1.123 CCCCCCCOC1C=CCCC1 7a_100000210272_100000751183 [0,0,0,1,0,0|2,0,0]=3 8802 B14R1.123 CCCCCCCOC1CC=CCC1 34a_100000073881_100000210614 [0,0,0,1,0,0|2,0,1]=4 8803 B14R1.123 CCCCCCCOC1CCCCC1 34a_100000210231_100000210614 [0,0,0,1,0,0|2,0,1]=4 8804 B14R1.123 CCCCCCCOC1CCCCC1 34a_100000210272_100000210327 [0,0,0,1,0,0|2,0,1]=4 8805 B14R1.123 CCCCCCCOC1CCCCC1 7a_100000210231_100000210614 [0,0,0,1,0,0|2,0,1]=4 8806 B14R1.123 CCCCCCCOC1CCCCC1 7a_100000210272_100000210327 [0,0,0,1,0,0|2,0,1]=4 8807 B14R1.123 CCCCCCCOC1CCCCO1 34a_100000033831_100000210614 [0,0,0,1,0,0|1,0,2]=4 8808 B14R1.123 CCCCCCCOC1CCCOC1 34a_100000210272_100000693364 [0,0,0,1,0,0|3,0,0]=4 8809 B14R1.123 CCCCCCCOC1CCCOC1 34a_100000754041_100000210614 [0,0,0,1,0,0|3,0,0]=4 8810 B14R1.123 CCCCCCCOC1CCCOC1 7a_100000210272_100000693364 [0,0,0,1,0,0|3,0,0]=4 8811 B14R1.123 CCCCCCCOC1CCCSC1 7a_100015962668_100000210614 [0,0,0,1,0,0|3,0,0]=4 8812 B14R1.123 CCCCCCCSC1C=CCCC1 62a_100000210614_100000751183 [0,0,0,1,0,0|2,0,0]=3 8813 B14R1.123 CCCCCCCSC1C=CCCC1 62a_100000751183_100000210316 [0,0,0,1,0,0|2,0,0]=3 8814 B14R1.123 CCCCCCCSC1CCCCC1 62a_100000210327_100000210316 [0,0,0,1,0,0|2,0,1]=4 8815 B14R1.123 CCCCCCCSC1CCCCC1 62a_100000210614_100000210327 [0,0,0,1,0,0|2,0,1]=4 8816 B14R1.123 CCCCCCCSC1CCCOC1 62a_100000210614_100000693364 [0,0,0,1,0,0|3,0,0]=4 8817 B14R1.123 CCCCCCNCC1CC=CCC1 270004a_100000210581_100000189434 [0,0,0,1,0,0|2,0,1]=4 8818 B14R1.123 CCCCCCNCC1CCCCC1 2230a_100000210473_100000210314 [0,0,0,1,0,0|2,0,1]=4 8819 B14R1.123 CCCCCCNCC1CCCCC1 2230a_100000210581_100000211423 [0,0,0,1,0,0|2,0,1]=4 8820 B14R1.123 CCCCCCNCC1CCCCC1 269862a_100000210581_100000211278 [0,0,0,1,0,0|2,0,1]=4 8821 B14R1.123 CCCCCCNCC1CCCCC1 34a_100000210473_100000210314 [0,0,0,1,0,0|2,0,1]=4 8822 B14R1.123 CCCCCCNCC1CCCCO1 2230a_100000174945_100000210314 [0,0,0,1,0,0|1,0,2]=4 8823 B14R1.123 CCCCCCNCC1CCCCO1 2230a_100000210581_100000211543 [0,0,0,1,0,0|1,0,2]=4 8824 B14R1.123 CCCCCCNCC1CCCCO1 34a_100000174945_100000210314 [0,0,0,1,0,0|1,0,2]=4 8825 B14R1.123 CCCCCCNCC1CCCOC1 2230a_100000210581_100000741521 [0,0,0,1,0,0|3,0,0]=4 8826 B14R1.123 CCCCCCNCC1CCCOC1 2230a_100000720124_100000210314 [0,0,0,1,0,0|3,0,0]=4 8827 B14R1.123 CCCCCCNCC1CCCOC1 34a_100000720124_100000210314 [0,0,0,1,0,0|3,0,0]=4 8828 B14R1.123 CCCCCCOCC1CC=CCC1 34a_100000210713_100000210314 [0,0,0,1,0,0|2,0,1]=4 8829 B14R1.123 CCCCCCOCC1CCC=CO1 34a_100011217868_100000210314 [0,0,0,1,0,0|1,0,2]=4 8830 B14R1.123 CCCCCCOCC1CCCCC1 34a_100000210259_100000211423 [0,0,0,1,0,0|2,0,1]=4 8831 B14R1.123 CCCCCCOCC1CCCCC1 34a_100000212181_100000210314 [0,0,0,1,0,0|2,0,1]=4 8832 B14R1.123 CCCCCCOCC1CCCCC1 7a_100000210259_100000211423 [0,0,0,1,0,0|2,0,1]=4 8833 B14R1.123 CCCCCCOCC1CCCCC1 7a_100000212181_100000210314 [0,0,0,1,0,0|2,0,1]=4 8834 B14R1.123 CCCCCCOCC1CCCCN1 34a_100000210821_100000210314 [0,0,0,1,0,0|2,0,1]=4 8835 B14R1.123 CCCCCCOCC1CCCCO1 34a_100000210259_100000211543 [0,0,0,1,0,0|1,0,2]=4 8836 B14R1.123 CCCCCCOCC1CCCCO1 34a_100000211370_100000210314 [0,0,0,1,0,0|1,0,2]=4 8837 B14R1.123 CCCCCCOCC1CCCCO1 7a_100000210259_100000211543 [0,0,0,1,0,0|1,0,2]=4 8838 B14R1.123 CCCCCCOCC1CCCCO1 7a_100000211370_100000210314 [0,0,0,1,0,0|1,0,2]=4 8839 B14R1.123 CCCCCCOCC1CCCNC1 34a_100000211344_100000210314 [0,0,0,1,0,0|3,0,0]=4 8840 B14R1.123 CCCCCCOCC1CCCOC1 34a_100000210259_100000741521 [0,0,0,1,0,0|3,0,0]=4 8841 B14R1.123 CCCCCCOCC1CCCOC1 34a_100000741520_100000210314 [0,0,0,1,0,0|3,0,0]=4 8842 B14R1.123 CCCCCCOCC1CCCOC1 7a_100000210259_100000741521 [0,0,0,1,0,0|3,0,0]=4 8843 B14R1.123 CCCCCCSCC1CCCCC1 62a_100000210314_100000211423 [0,0,0,1,0,0|2,0,1]=4 8844 B14R1.123 CCCCCCSCC1CCCCC1 62a_100000211423_100000210757 [0,0,0,1,0,0|2,0,1]=4 8845 B14R1.123 CCCCCCSCC1CCCCO1 62a_100000210314_100000211543 [0,0,0,1,0,0|1,0,2]=4 8846 B14R1.123 CCCCCCSCC1CCCCO1 62a_100000211543_100000210757 [0,0,0,1,0,0|1,0,2]=4 8847 B14R1.123 CCCCCCSCC1CCCOC1 62a_100000210314_100000741521 [0,0,0,1,0,0|3,0,0]=4 8848 B14R1.123 CCCCCCSCC1CCCOC1 62a_100000741521_100000210757 [0,0,0,1,0,0|3,0,0]=4 8849 B14R1.123 CCCCCNCCC1CCCCC1 2230a_100000209983_100012355289 [0,0,0,1,0,0|2,0,1]=4 8850 B14R1.123 CCCCCNCCC1CCCCC1 2230a_100000738074_100000210326 [0,0,0,1,0,0|2,0,1]=4 8851 B14R1.123 CCCCCNCCC1CCCCC1 270004a_100000209983_100011713444 [0,0,0,1,0,0|2,0,1]=4 8852 B14R1.123 CCCCCNCCC1CCCCC1 34a_100000738074_100000718602 [0,0,0,1,0,0|2,0,1]=4 8853 B14R1.123 CCCCCNCCC1CCCCO1 2230a_100015183643_100000210326 [0,0,0,1,0,0|1,0,2]=4 8854 B14R1.123 CCCCCNCCC1CCCCO1 34a_100015183643_100000718602 [0,0,0,1,0,0|1,0,2]=4 8855 B14R1.123 CCCCCOCCC1CCCCC1 34a_100000210253_100011209188 [0,0,0,1,0,0|2,0,1]=4 8856 B14R1.123 CCCCCOCCC1CCCCC1 34a_100011217863_100000718602 [0,0,0,1,0,0|2,0,1]=4 8857 B14R1.123 CCCCCOCCC1CCCCC1 7a_100000210253_100011273959 [0,0,0,1,0,0|2,0,1]=4 8858 B14R1.123 CCCCCOCCC1CCCCC1 7a_100011217863_100000210326 [0,0,0,1,0,0|2,0,1]=4 8859 B14R1.123 CCCCCOCCC1CCCCN1 34a_100000211664_100000718602 [0,0,0,1,0,0|2,0,1]=4 8860 B14R1.123 CCCCCOCCC1CCCNC1 34a_100000752241_100000718602 [0,0,0,1,0,0|3,0,0]=4 8861 B14R1.123 CCCCCSCCC1CCCCC1 62a_100000210326_100012355289 [0,0,0,1,0,0|2,0,1]=4 8862 B14R1.123 CCCCCSCCC1CCCCC1 62a_100012355289_100000210326 [0,0,0,1,0,0|2,0,1]=4 8863 B14R1.123 CCCCNCCCC1CCCCC1 2230a_100000102301_100011713725 [0,0,0,1,0,0|2,0,1]=4 8864 B14R1.123 CCCCNCCCC1CCCCC1 2230a_100011211642_100000210211 [0,0,0,1,0,0|2,0,1]=4 8865 B14R1.123 CCCCNCCCC1CCCCC1 34a_100011211642_100000210210 [0,0,0,1,0,0|2,0,1]=4 8866 B14R1.123 CCCCNCCCC1CCCCC1 7a_106832991798_100011713725 [0,0,0,1,0,0|2,0,1]=4 8867 B14R1.123 CCCCOCCCC1CCCCC1 34a_100000198086_100000210210 [0,0,0,1,0,0|2,0,1]=4 8868 B14R1.123 CCCCOCCCC1CCCCC1 34a_100000210227_100011713725 [0,0,0,1,0,0|2,0,1]=4 8869 B14R1.123 CCCCOCCCC1CCCCC1 7a_100000198086_100000210211 [0,0,0,1,0,0|2,0,1]=4 8870 B14R1.123 CCCCOCCCC1CCCCC1 7a_100000210227_100011713725 [0,0,0,1,0,0|2,0,1]=4 8871 B14R1.123 CCCCOCCCC1CCCCN1 34a_100011934581_100000210210 [0,0,0,1,0,0|2,0,1]=4 8872 B14R1.123 CCCCOCCCC1CCCNC1 34a_100150707839_100000210210 [0,0,0,1,0,0|3,0,0]=4 8873 B14R1.123 CCCCOCCOC1C=CCCC1 34a_100011215024_100000743108 [0,0,0,1,0,0|3,0,0]=4 8874 B14R1.123 CCCCOCCOC1C=CCCC1 7a_100000210238_100000751183 [0,0,0,1,0,0|3,0,0]=4 8875 B14R1.123 CCCCOCCSC1C=CCCC1 62a_100000743108_100000751183 [0,0,0,1,0,0|3,0,0]=4 8876 B14R1.123 CCCCOCCSC1C=CCCC1 62a_100000751183_100000743108 [0,0,0,1,0,0|3,0,0]=4 8877 B14R1.123 CCCCSCCCC1CCCCC1 62a_100000210211_100011713725 [0,0,0,1,0,0|2,0,1]=4 8878 B14R1.123 CCCCSCCCC1CCCCC1 62a_100011713725_100000210210 [0,0,0,1,0,0|2,0,1]=4 8879 B14R1.123 CCCCSCCNC1C=CCCC1 2230a_100025743550_100000751183 [0,0,0,1,0,0|3,0,0]=4 8880 B14R1.123 CCCCSCCOC1C=CCCC1 7a_200000230436_100000751183 [0,0,0,1,0,0|3,0,0]=4 8881 B14R1.123 CCCOCCCCC1CCCCC1 34a_100011215267_100000210303 [0,0,0,1,0,0|2,0,1]=4 8882 B14R1.123 CCCOCCCCC1CCCCC1 7a_100011215267_100000210303 [0,0,0,1,0,0|2,0,1]=4 8883 B14R1.123 CCCOCCCNC1C=CCCC1 2230a_100011217757_100000751183 [0,0,0,1,0,0|3,0,0]=4 8884 B14R1.123 CNCCCCCOC1CCCCC1 34a_100000722520_100000210327 [0,0,0,1,0,0|3,0,0]=4 8885 B14R1.123 CNCCCOCCC1CCCCC1 34a_100000213112_100011209188 [0,0,0,1,0,0|3,0,0]=4 8886 B14R1.123 COCCCCCNC1C=CCCC1 2230a_100000747528_100000751183 [0,0,0,1,0,0|3,0,0]=4 8887 B14R1.123 COCCCCCNC1CCCCC1 270004a_100000747528_100000210434 [0,0,0,1,0,0|3,0,0]=4 8888 B14R1.123 COCCCCCNC1CCCCC1 34a_100000747528_100000210327 [0,0,0,1,0,0|3,0,0]=4 8889 B14R1.123 COCCCCNCC1CCCCC1 2230a_100000210473_100000730899 [0,0,0,1,0,0|3,0,0]=4 8890 B14R1.123 COCCCCNCC1CCCCC1 34a_100000210473_100000755781 [0,0,0,1,0,0|3,0,0]=4 8891 B14R1.123 COCCCCOCC1CCCCC1 34a_100000212181_100000755781 [0,0,0,1,0,0|3,0,0]=4 8892 B14R1.123 COCCCCOCC1CCCCC1 34a_100000740925_100000211423 [0,0,0,1,0,0|3,0,0]=4 8893 B14R1.123 COCCCCOCC1CCCCC1 7a_100000212181_100000730899 [0,0,0,1,0,0|3,0,0]=4 8894 B14R1.123 COCCCCSCC1CCCCC1 62a_100000211423_100000730899 [0,0,0,1,0,0|3,0,0]=4 8895 B14R1.123 COCCCCSCC1CCCCC1 62a_100000730899_100000211423 [0,0,0,1,0,0|3,0,0]=4 8896 B14R1.123 COCCCNCCC1CCCCC1 2230a_100000738074_100000740836 [0,0,0,1,0,0|3,0,0]=4 8897 B14R1.123 COCCCNCCC1CCCCC1 270004a_100150723488_100011713444 [0,0,0,1,0,0|3,0,0]=4 8898 B14R1.123 COCCCNCCC1CCCCC1 34a_100000738074_100000740836 [0,0,0,1,0,0|3,0,0]=4 8899 B14R1.123 COCCCNCCC1CCCCC1 34a_100150723488_100011209188 [0,0,0,1,0,0|3,0,0]=4 8900 B14R1.123 COCCCOCCC1CCCCC1 34a_100000740835_100011209188 [0,0,0,1,0,0|3,0,0]=4 8901 B14R1.123 COCCCOCCC1CCCCC1 34a_100011217863_100000740836 [0,0,0,1,0,0|3,0,0]=4 8902 B14R1.123 COCCCOCCC1CCCCC1 7a_100011217863_100000740836 [0,0,0,1,0,0|3,0,0]=4 8903 B14R1.123 COCCCSCCC1CCCCC1 62a_100000709357_100012355289 [0,0,0,1,0,0|3,0,0]=4 8904 B14R1.123 COCCCSCCC1CCCCC1 62a_100012355289_100000709357 [0,0,0,1,0,0|3,0,0]=4 8905 B14R1.123 COCCNCCCC1CCCCC1 2230a_100000209980_100011713725 [0,0,0,1,0,0|3,0,0]=4 8906 B14R1.123 COCCNCCCC1CCCCC1 2230a_100011211642_100011201679 [0,0,0,1,0,0|3,0,0]=4 8907 B14R1.123 COCCNCCCC1CCCCC1 34a_100011211642_100011201679 [0,0,0,1,0,0|3,0,0]=4 8908 B14R1.123 COCCOCCCC1CCCCC1 34a_100000198086_100011201679 [0,0,0,1,0,0|3,0,0]=4 8909 B14R1.123 COCCOCCCC1CCCCC1 34a_100000210237_100011713725 [0,0,0,1,0,0|3,0,0]=4 8910 B14R1.123 COCCOCCCC1CCCCC1 7a_100000198086_100000233755 [0,0,0,1,0,0|3,0,0]=4 8911 B14R1.123 COCCSCCCC1CCCCC1 62a_100000233755_100011713725 [0,0,0,1,0,0|3,0,0]=4 8912 B14R1.123 COCCSCCCC1CCCCC1 62a_100011713725_100000233755 [0,0,0,1,0,0|3,0,0]=4 8913 B14R1.123 CSCCCCOCC1CCCCC1 34a_100011217163_100000211423 [0,0,0,1,0,0|3,0,0]=4 8914 B14R1.123 CSCCCCOCC1CCCCC1 7a_100011217163_100000211423 [0,0,0,1,0,0|3,0,0]=4 8915 B14R1.123 CSCCCNCCC1CCCCC1 2230a_100000749238_100012355289 [0,0,0,1,0,0|3,0,0]=4 8916 B14R1.123 CSCCCNCCC1CCCCC1 270004a_100000749238_100011713444 [0,0,0,1,0,0|3,0,0]=4 8917 B14R1.123 CSCCCOCCC1CCCCC1 34a_100000690336_100011209188 [0,0,0,1,0,0|3,0,0]=4 8918 B14R1.123 CSCCCOCCC1CCCCC1 7a_100000690336_100011273959 [0,0,0,1,0,0|3,0,0]=4 8919 B14R1.123 CSCCNCCCC1CCCCC1 2230a_100011211642_100000751147 [0,0,0,1,0,0|3,0,0]=4 8920 B14R1.123 CSCCNCCCC1CCCCC1 2230a_100020590264_100011713725 [0,0,0,1,0,0|3,0,0]=4 8921 B14R1.123 CSCCNCCCC1CCCCC1 34a_100011211642_100000212216 [0,0,0,1,0,0|3,0,0]=4 8922 B14R1.123 CSCCOCCCC1CCCCC1 34a_100000198086_100000212216 [0,0,0,1,0,0|3,0,0]=4 8923 B14R1.123 CSCCOCCCC1CCCCC1 34a_100000230434_100011713725 [0,0,0,1,0,0|3,0,0]=4 8924 B14R1.123 CSCCOCCCC1CCCCC1 7a_100000198086_100000212216 [0,0,0,1,0,0|3,0,0]=4 8925 B14R1.123 CSCCOCCCC1CCCCC1 7a_100000230434_100011713725 [0,0,0,1,0,0|3,0,0]=4 8926 B14R1.123 CSCCSCCCC1CCCCC1 62a_100000212216_100011713725 [0,0,0,1,0,0|3,0,0]=4 8927 B14R1.123 CSCCSCCCC1CCCCC1 62a_100011713725_100000751147 [0,0,0,1,0,0|3,0,0]=4 8928 B14R1.123 CSCOCCCCC1CCCCC1 34a_100011215267_100011218213 [0,0,0,1,0,0|3,0,0]=4 8929 B14R1.123 ClCCCCCCOC1C=CCCC1 7a_100000766143_100000751183 [0,0,0,1,0,0|3,0,0]=4 8930 B14R1.123 ClCCCCCCOC1CCCCC1 34a_100000766143_100000210327 [0,0,0,1,0,0|2,0,1]=4 8931 B14R1.123 ClCCCCCCOC1CCCCC1 7a_100000766143_100000210327 [0,0,0,1,0,0|2,0,1]=4 8932 B14R1.123 ClCCCCCOCC1CCCCC1 34a_100000746330_100000211423 [0,0,0,1,0,0|2,0,1]=4 8933 B14R1.123 ClCCCCCOCC1CCCCC1 7a_100000746330_100000211423 [0,0,0,1,0,0|2,0,1]=4 8934 B14R1.123 ClCCCCOCCC1CCCCC1 34a_100000210776_100011209188 [0,0,0,1,0,0|2,0,1]=4 8935 B14R1.123 ClCCCCOCCC1CCCCC1 7a_100000210776_100011273959 [0,0,0,1,0,0|2,0,1]=4 8936 B14R1.123 ClCCCOCCCC1CCCCC1 34a_100000230001_100011713725 [0,0,0,1,0,0|2,0,1]=4 8937 B14R1.123 FCCCCCCNC1CCCCC1 2230a_100000182618_100015922095 [0,0,0,1,0,0|2,0,1]=4 8938 B14R1.123 FCCCCCCNC1CCCCC1 34a_100000182618_100015922095 [0,0,0,1,0,0|2,0,1]=4 8939 B14R1.123 FCCCCCCOC1C=CCCC1 34a_100011215024_100015922095 [0,0,0,1,0,0|3,0,0]=4 8940 B14R1.123 FCCCCCCOC1C=CCCC1 7a_100000732779_100000751183 [0,0,0,1,0,0|3,0,0]=4 8941 B14R1.123 FCCCCCCOC1CCCCC1 34a_100000210231_100015922095 [0,0,0,1,0,0|2,0,1]=4 8942 B14R1.123 FCCCCCCOC1CCCCC1 34a_100000732779_100000210327 [0,0,0,1,0,0|2,0,1]=4 8943 B14R1.123 FCCCCCCOC1CCCCC1 7a_100000210231_100015922095 [0,0,0,1,0,0|2,0,1]=4 8944 B14R1.123 FCCCCCCOC1CCCCC1 7a_100000732779_100000210327 [0,0,0,1,0,0|2,0,1]=4 8945 B14R1.123 FCCCCCCSC1C=CCCC1 62a_100000751183_100015922095 [0,0,0,1,0,0|3,0,0]=4 8946 B14R1.123 FCCCCCCSC1C=CCCC1 62a_100015922095_100000751183 [0,0,0,1,0,0|3,0,0]=4 8947 B14R1.123 FCCCCCCSC1CCCCC1 62a_100000210327_100015922095 [0,0,0,1,0,0|2,0,1]=4 8948 B14R1.123 FCCCCCCSC1CCCCC1 62a_100015922095_100000210327 [0,0,0,1,0,0|2,0,1]=4 8949 B14R1.123 FCCCCCNCC1CCCCC1 2230a_100000210473_100000729378 [0,0,0,1,0,0|2,0,1]=4 8950 B14R1.123 FCCCCCNCC1CCCCC1 34a_100000210473_100000729378 [0,0,0,1,0,0|2,0,1]=4 8951 B14R1.123 FCCCCCOCC1CCCCC1 34a_100000212181_100000729378 [0,0,0,1,0,0|2,0,1]=4 8952 B14R1.123 FCCCCCOCC1CCCCC1 7a_100000212181_100000729378 [0,0,0,1,0,0|2,0,1]=4 8953 B14R1.123 FCCCCCSCC1CCCCC1 62a_100000211423_100000729378 [0,0,0,1,0,0|2,0,1]=4 8954 B14R1.123 FCCCCCSCC1CCCCC1 62a_100000729378_100000211423 [0,0,0,1,0,0|2,0,1]=4 8955 B14R1.123 FCCCCNCCC1CCCCC1 2230a_100000738074_100000729493 [0,0,0,1,0,0|2,0,1]=4 8956 B14R1.123 FCCCCNCCC1CCCCC1 34a_100000738074_100000729493 [0,0,0,1,0,0|2,0,1]=4 8957 B14R1.123 FCCCCOCCC1CCCCC1 34a_100011217863_100000729493 [0,0,0,1,0,0|2,0,1]=4 8958 B14R1.123 FCCCCOCCC1CCCCC1 34a_100011995726_100011209188 [0,0,0,1,0,0|2,0,1]=4 8959 B14R1.123 FCCCCOCCC1CCCCC1 7a_100011217863_100000729493 [0,0,0,1,0,0|2,0,1]=4 8960 B14R1.123 FCCCCOCCC1CCCCC1 7a_100011995726_100011273959 [0,0,0,1,0,0|2,0,1]=4 8961 B14R1.123 FCCCCSCCC1CCCCC1 62a_100000729493_100012355289 [0,0,0,1,0,0|2,0,1]=4 8962 B14R1.123 FCCCCSCCC1CCCCC1 62a_100012355289_100000729493 [0,0,0,1,0,0|2,0,1]=4 8963 B14R1.123 FCCCNCCCC1CCCCC1 2230a_100011211642_100011934791 [0,0,0,1,0,0|2,0,1]=4 8964 B14R1.123 FCCCNCCCC1CCCCC1 2230a_100015189416_100011713725 [0,0,0,1,0,0|2,0,1]=4 8965 B14R1.123 FCCCNCCCC1CCCCC1 34a_100011211642_100011934791 [0,0,0,1,0,0|2,0,1]=4 8966 B14R1.123 FCCCNCCCC1CCCCC1 34a_100015189416_100011713725 [0,0,0,1,0,0|2,0,1]=4 8967 B14R1.123 FCCCOCCCC1CCCCC1 34a_100000198086_100011934791 [0,0,0,1,0,0|2,0,1]=4 8968 B14R1.123 FCCCOCCCC1CCCCC1 34a_100000759539_100011713725 [0,0,0,1,0,0|2,0,1]=4 8969 B14R1.123 FCCCOCCCC1CCCCC1 7a_100000198086_100011934791 [0,0,0,1,0,0|2,0,1]=4 8970 B14R1.123 FCCCSCCCC1CCCCC1 62a_100011713725_100011934791 [0,0,0,1,0,0|2,0,1]=4 8971 B14R1.123 FCCCSCCCC1CCCCC1 62a_100011934791_100011713725 [0,0,0,1,0,0|2,0,1]=4 8972 B14R1.123 FCCOCCCCC1CCCCC1 34a_100011215267_100011217306 [0,0,0,1,0,0|2,0,1]=4 8973 B14R1.123 FCCOCCCCC1CCCCC1 7a_100011215267_100011217306 [0,0,0,1,0,0|2,0,1]=4 8974 B14R1.123 ICCCCCOCC1CCCCC1 34a_200012148887_100000211423 [0,0,0,1,0,0|2,0,1]=4 8975 B14R1.123 ICCCCCOCC1CCCCC1 7a_200012148887_100000211423 [0,0,0,1,0,0|2,0,1]=4 8976 B14R1.123 ICCCCOCCC1CCCCC1 34a_200012148704_100011209188 [0,0,0,1,0,0|2,0,1]=4 8977 B14R1.123 N#CCCCCCNC1CCCCC1 2230a_100000182618_100009813376 [0,0,0,1,0,0|2,0,1]=4 8978 B14R1.123 N#CCCCCCNC1CCCCC1 270004a_100000061152_100000210434 [0,0,0,1,0,0|2,0,1]=4 8979 B14R1.123 N#CCCCCCOC1CCCCC1 7a_100000210231_100009813376 [0,0,0,1,0,0|2,0,1]=4 8980 B14R1.123 N#CCCCCCSC1CCCCC1 62a_100000210327_100009813376 [0,0,0,1,0,0|2,0,1]=4 8981 B14R1.123 N#CCCCCCSC1CCCCC1 62a_100009813376_100000210327 [0,0,0,1,0,0|2,0,1]=4 8982 B14R1.123 N#CCCCCNCC1CCCCC1 2230a_100000210473_100000211819 [0,0,0,1,0,0|2,0,1]=4 8983 B14R1.123 N#CCCCCOCC1CCCCC1 7a_100000212181_100000211819 [0,0,0,1,0,0|2,0,1]=4 8984 B14R1.123 N#CCCCCSCC1CCCCC1 62a_100000211423_100000211819 [0,0,0,1,0,0|2,0,1]=4 8985 B14R1.123 N#CCCCCSCC1CCCCC1 62a_100011219923_100000211423 [0,0,0,1,0,0|2,0,1]=4 8986 B14R1.123 N#CCCCNCCC1CCCCC1 2230a_100000738074_100000687738 [0,0,0,1,0,0|2,0,1]=4 8987 B14R1.123 N#CCCCOCCC1CCCCC1 7a_100011217863_100000687738 [0,0,0,1,0,0|2,0,1]=4 8988 B14R1.123 N#CCCCSCCC1CCCCC1 62a_100000687738_100012355289 [0,0,0,1,0,0|2,0,1]=4 8989 B14R1.123 N#CCCCSCCC1CCCCC1 62a_100012355289_100000687738 [0,0,0,1,0,0|2,0,1]=4 8990 B14R1.123 N#CCCNCCCC1CCCCC1 2230a_100011211642_100011215226 [0,0,0,1,0,0|2,0,1]=4 8991 B14R1.123 N#CCCOCCCC1CCCCC1 7a_100000198086_100000184422 [0,0,0,1,0,0|2,0,1]=4 8992 B14R1.123 N#CCCSCCCC1CCCCC1 62a_100011215226_100011713725 [0,0,0,1,0,0|2,0,1]=4 8993 B14R1.123 N#CCCSCCCC1CCCCC1 62a_100011713725_100011215226 [0,0,0,1,0,0|2,0,1]=4 8994 B14R1.123 N#CCOCCCCC1CCCCC1 7a_100011215267_100011215382 [0,0,0,1,0,0|2,0,1]=4 8995 B14R1.123 NCCCCCCOC1CCCCC1 34a_100000686447_100000210327 [0,0,0,1,0,0|2,0,1]=4 8996 B14R1.123 NCCCCCOCC1CCCCC1 34a_100000762737_100000211423 [0,0,0,1,0,0|2,0,1]=4 8997 B14R1.123 NCCCCOCCC1CCCCC1 34a_100000750430_100011209188 [0,0,0,1,0,0|2,0,1]=4 8998 B14R1.123 NCCCOCCCC1CCCCC1 34a_100000182051_100011713725 [0,0,0,1,0,0|2,0,1]=4 8999 B14R1.123 NOCCOCCCC1CCCCC1 34a_100000700252_100011713725 [0,0,0,1,0,0|3,0,0]=4 9000 B14R1.123 O=CCCCCCNC1CCCCC1 2230a_100000182618_100000139337 [0,0,0,1,0,0|1,0,0]=2 9001 B14R1.123 O=CCCCCCNC1CCCOC1 2230a_100000719290_100000139337 [0,0,0,1,0,0|2,0,0]=3 9002 B14R1.123 O=CCCCCCNC1CCOCC1 2230a_100000741149_100000139337 [0,0,0,1,0,0|2,0,0]=3 9003 B14R1.123 O=CCCCCCNC1CCSCC1 2230a_100000748639_100000139337 [0,0,0,1,0,0|2,0,0]=3 9004 B14R1.123 O=CCCCCCOC1CCCCC1 7a_100000210231_100000139337 [0,0,0,1,0,0|1,0,0]=2 9005 B14R1.123 O=CCCCCCOC1CCCSC1 7a_100015962668_100000139337 [0,0,0,1,0,0|2,0,0]=3 9006 B14R1.123 O=CCCCCCOC1CCSCC1 7a_100000731022_100000139337 [0,0,0,1,0,0|2,0,0]=3 9007 B14R1.123 O=CCCCCCSC1C=CCCC1 62a_100000139337_100000751183 [0,0,0,1,0,0|1,0,2]=4 9008 B14R1.123 O=CCCCCCSC1C=CCCC1 62a_100000751183_100000139337 [0,0,0,1,0,0|1,0,2]=4 9009 B14R1.123 O=CCCCCCSC1CCCCC1 62a_100000139337_100000210327 [0,0,0,1,0,0|1,0,0]=2 9010 B14R1.123 O=CCCCCCSC1CCCCC1 62a_100000210327_100000139337 [0,0,0,1,0,0|1,0,0]=2 9011 B14R1.123 O=CCCCCCSC1CCCOC1 62a_100000139337_100000693364 [0,0,0,1,0,0|2,0,0]=3 9012 B14R1.123 O=CCCCCCSC1CCOCC1 62a_100000139337_100011324220 [0,0,0,1,0,0|2,0,0]=3 9013 B14R1.123 O=CCCCCCSC1CCSCC1 62a_100000139337_100000069128 [0,0,0,1,0,0|2,0,0]=3 9014 B14R1.123 O=CCCCCNCC1CCCCC1 2230a_100000210473_100000139335 [0,0,0,1,0,0|1,0,0]=2 9015 B14R1.123 O=CCCCCNCC1CCCCO1 2230a_100000174945_100000139335 [0,0,0,1,0,0|2,0,0]=3 9016 B14R1.123 O=CCCCCNCC1CCCOC1 2230a_100000720124_100000139335 [0,0,0,1,0,0|2,0,0]=3 9017 B14R1.123 O=CCCCCNCC1CCOCC1 2230a_100000746373_100000139335 [0,0,0,1,0,0|2,0,0]=3 9018 B14R1.123 O=CCCCCNCC1CCSCC1 2230a_100015188806_100000139335 [0,0,0,1,0,0|2,0,0]=3 9019 B14R1.123 O=CCCCCNC[C@H]1COCCO1 2230a_100010981119_100000139335 [0,0,0,1,0,0|3,0,0]=4 9020 B14R1.123 O=CCCCCOCC1CCCCC1 7a_100000212181_100000139335 [0,0,0,1,0,0|1,0,0]=2 9021 B14R1.123 O=CCCCCOCC1CCCCO1 7a_100000211370_100000139335 [0,0,0,1,0,0|2,0,0]=3 9022 B14R1.123 O=CCCCCOCC1CCSCC1 7a_100000070558_100000139335 [0,0,0,1,0,0|2,0,0]=3 9023 B14R1.123 O=CCCCCSCC1CCCCC1 62a_100000139335_100000211423 [0,0,0,1,0,0|1,0,0]=2 9024 B14R1.123 O=CCCCCSCC1CCCCC1 62a_100000211423_100000139335 [0,0,0,1,0,0|1,0,0]=2 9025 B14R1.123 O=CCCCCSCC1CCCCO1 62a_100000139335_100000211543 [0,0,0,1,0,0|2,0,0]=3 9026 B14R1.123 O=CCCCCSCC1CCCCO1 62a_100000211543_100000139335 [0,0,0,1,0,0|2,0,0]=3 9027 B14R1.123 O=CCCCCSCC1CCCOC1 62a_100000139335_100000741521 [0,0,0,1,0,0|2,0,0]=3 9028 B14R1.123 O=CCCCCSCC1CCCOC1 62a_100000741521_100000139335 [0,0,0,1,0,0|2,0,0]=3 9029 B14R1.123 O=CCCCCSCC1CCOCC1 62a_100000139335_100000749018 [0,0,0,1,0,0|2,0,0]=3 9030 B14R1.123 O=CCCCCSCC1CCOCC1 62a_100000754603_100000139335 [0,0,0,1,0,0|2,0,0]=3 9031 B14R1.123 O=CCCCNCCC1=CCCCC1 2230a_100000212019_200011292268 [0,0,0,1,0,0|1,0,2]=4 9032 B14R1.123 O=CCCCNCCC1CCCCC1 2230a_100000738074_200011292268 [0,0,0,1,0,0|1,0,0]=2 9033 B14R1.123 O=CCCCNCCC1CCCCO1 2230a_100015183643_200011292268 [0,0,0,1,0,0|2,0,0]=3 9034 B14R1.123 O=CCCCNCCC1CCOCC1 2230a_100000755988_200011292268 [0,0,0,1,0,0|2,0,0]=3 9035 B14R1.123 O=CCCCNCCN1CCSCC1 2230a_100000755026_200011292268 [0,0,0,1,0,0|3,0,0]=4 9036 B14R1.123 O=CCCCOCCC1CCCCC1 7a_100011217863_200011292268 [0,0,0,1,0,0|1,0,0]=2 9037 B14R1.123 O=CCCCOCCC1CCOCC1 7a_100011933979_200011292268 [0,0,0,1,0,0|2,0,0]=3 9038 B14R1.123 O=CCCCOCCC1SCCCS1 7a_200011025297_200011292268 [0,0,0,1,0,0|3,0,0]=4 9039 B14R1.123 O=CCCCOCCN1CCSCC1 7a_100000686052_200011292268 [0,0,0,1,0,0|3,0,0]=4 9040 B14R1.123 O=CCCCSCCC1CCCCC1 62a_100012355289_200011292268 [0,0,0,1,0,0|1,0,0]=2 9041 B14R1.123 O=CCCCSCCC1CCCCC1 62a_200011292268_100012355289 [0,0,0,1,0,0|1,0,0]=2 9042 B14R1.123 O=CCCCSCCC1CCOCC1 62a_100011934994_200011292268 [0,0,0,1,0,0|2,0,0]=3 9043 B14R1.123 O=CCCCSCCC1CCOCC1 62a_200011292268_100011934994 [0,0,0,1,0,0|2,0,0]=3 9044 B14R1.123 O=CCCCSCCC1OCCCO1 62a_100000764188_200011292268 [0,0,0,1,0,0|3,0,0]=4 9045 B14R1.123 O=CCCCSCCC1OCCCO1 62a_200011292268_100000764188 [0,0,0,1,0,0|3,0,0]=4 9046 B14R1.123 O=CCCCSCCN1CCCCC1 62a_100000739454_200011292268 [0,0,0,1,0,0|2,0,0]=3 9047 B14R1.123 O=CCCCSCCN1CCCCC1 62a_200011292268_100000739454 [0,0,0,1,0,0|2,0,0]=3 9048 B14R1.123 O=CCCCSCCN1CCOCC1 62a_200011292268_100000211760 [0,0,0,1,0,0|3,0,0]=4 9049 B14R1.123 O=CCCCSCOC1CCCCC1 62a_100011935260_200011292268 [0,0,0,1,0,0|2,0,0]=3 9050 B14R1.123 O=CCCCSCOC1CCCCC1 62a_200011292268_100011935260 [0,0,0,1,0,0|2,0,0]=3 9051 B14R1.123 O=CCNCCCOC1CCCCC1 34a_100000205933_200009817547 [0,0,0,1,0,0|2,0,0]=3 9052 B14R1.123 O=CCOCCCCC1CCCCC1 34a_100011215267_200009817547 [0,0,0,1,0,0|1,0,0]=2 9053 B14R1.123 O=CCOCCCCC1CCCCC1 7a_100011215267_200015260668 [0,0,0,1,0,0|1,0,0]=2 9054 B14R1.123 O=CCOCCCCC1CCNCC1 34a_100016989291_200009817547 [0,0,0,1,0,0|2,0,0]=3 9055 B14R1.123 O=CCOCCCCN1CCOCC1 34a_100000723369_200009817547 [0,0,0,1,0,0|3,0,0]=4 9056 B14R1.123 O=CCSCCCOC1CCCCO1 62a_100000700653_200015260668 [0,0,0,1,0,0|3,0,0]=4 9057 B14R1.123 O=CCSCCCOC1CCCCO1 62a_200015260668_100000700653 [0,0,0,1,0,0|3,0,0]=4 9058 B14R1.123 OCCCCCCNC1C=CCCC1 2230a_100000686447_100000751183 [0,0,0,1,0,0|3,0,0]=4 9059 B14R1.123 OCCCCCCNC1CCCCC1 2230a_100000182618_100000766143 [0,0,0,1,0,0|1,0,2]=4 9060 B14R1.123 OCCCCCCNC1CCCCC1 270004a_100000686447_100000210434 [0,0,0,1,0,0|1,0,2]=4 9061 B14R1.123 OCCCCCCNC1CCCCC1 34a_100000182618_100000766143 [0,0,0,1,0,0|1,0,2]=4 9062 B14R1.123 OCCCCCCNC1CCCCC1 34a_100000686447_100000210327 [0,0,0,1,0,0|1,0,2]=4 9063 B14R1.123 OCCCCCCOC1C=CCCC1 34a_100011215024_100000766143 [0,0,0,1,0,0|3,0,0]=4 9064 B14R1.123 OCCCCCCOC1CCCCC1 34a_100000210231_100000766143 [0,0,0,1,0,0|1,0,2]=4 9065 B14R1.123 OCCCCCCOC1CCCCC1 7a_100000210231_100000766143 [0,0,0,1,0,0|1,0,2]=4 9066 B14R1.123 OCCCCCCSC1C=CCCC1 62a_100000751183_100000766143 [0,0,0,1,0,0|3,0,0]=4 9067 B14R1.123 OCCCCCCSC1C=CCCC1 62a_100000766143_100000751183 [0,0,0,1,0,0|3,0,0]=4 9068 B14R1.123 OCCCCCCSC1CCCCC1 62a_100000210327_100000766143 [0,0,0,1,0,0|1,0,2]=4 9069 B14R1.123 OCCCCCCSC1CCCCC1 62a_100000766143_100000210327 [0,0,0,1,0,0|1,0,2]=4 9070 B14R1.123 OCCCCCNCC1CCCCC1 2230a_100000210473_100000746330 [0,0,0,1,0,0|1,0,2]=4 9071 B14R1.123 OCCCCCNCC1CCCCC1 2230a_100000762737_100000211423 [0,0,0,1,0,0|1,0,2]=4 9072 B14R1.123 OCCCCCNCC1CCCCC1 269862a_100000762737_100000211278 [0,0,0,1,0,0|1,0,2]=4 9073 B14R1.123 OCCCCCNCC1CCCCC1 34a_100000210473_100000746330 [0,0,0,1,0,0|1,0,2]=4 9074 B14R1.123 OCCCCCNCC1CCCCC1 34a_100000762737_100000211423 [0,0,0,1,0,0|1,0,2]=4 9075 B14R1.123 OCCCCCOCC1CCCCC1 34a_100000212181_100000746330 [0,0,0,1,0,0|1,0,2]=4 9076 B14R1.123 OCCCCCOCC1CCCCC1 7a_100000212181_100000746330 [0,0,0,1,0,0|1,0,2]=4 9077 B14R1.123 OCCCCCSCC1CCCCC1 62a_100000211423_100000746330 [0,0,0,1,0,0|1,0,2]=4 9078 B14R1.123 OCCCCCSCC1CCCCC1 62a_100000746330_100000211423 [0,0,0,1,0,0|1,0,2]=4 9079 B14R1.123 OCCCCNCCC1CCCCC1 2230a_100000738074_100000210776 [0,0,0,1,0,0|1,0,2]=4 9080 B14R1.123 OCCCCNCCC1CCCCC1 2230a_100000750430_100012355289 [0,0,0,1,0,0|1,0,2]=4 9081 B14R1.123 OCCCCNCCC1CCCCC1 270004a_100000750430_100011713444 [0,0,0,1,0,0|1,0,2]=4 9082 B14R1.123 OCCCCNCCC1CCCCC1 34a_100000738074_100011216708 [0,0,0,1,0,0|1,0,2]=4 9083 B14R1.123 OCCCCNCCC1CCCCC1 34a_100000750430_100011209188 [0,0,0,1,0,0|1,0,2]=4 9084 B14R1.123 OCCCCOCCC1CCCCC1 34a_100011217863_100011216708 [0,0,0,1,0,0|1,0,2]=4 9085 B14R1.123 OCCCCOCCC1CCCCC1 7a_100011217863_100000210776 [0,0,0,1,0,0|1,0,2]=4 9086 B14R1.123 OCCCCSCCC1CCCCC1 62a_100000210776_100012355289 [0,0,0,1,0,0|1,0,2]=4 9087 B14R1.123 OCCCCSCCC1CCCCC1 62a_100012355289_100000210776 [0,0,0,1,0,0|1,0,2]=4 9088 B14R1.123 OCCCNCCCC1CCCCC1 2230a_100011211642_100000230001 [0,0,0,1,0,0|1,0,2]=4 9089 B14R1.123 OCCCNCCCC1CCCCC1 34a_100011211642_100000230001 [0,0,0,1,0,0|1,0,2]=4 9090 B14R1.123 OCCCOCCCC1CCCCC1 34a_100000198086_100000230001 [0,0,0,1,0,0|1,0,2]=4 9091 B14R1.123 OCCCOCCCC1CCCCC1 7a_100000198086_100011215043 [0,0,0,1,0,0|1,0,2]=4 9092 B14R1.123 OCCCSCCCC1CCCCC1 62a_100011215043_100011713725 [0,0,0,1,0,0|1,0,2]=4 9093 B14R1.123 OCCCSCCCC1CCCCC1 62a_100011713725_100011215043 [0,0,0,1,0,0|1,0,2]=4 9094 B14R1.123 OCCOCCCCC1CCCCC1 34a_100011215267_100000211926 [0,0,0,1,0,0|1,0,2]=4 9095 B14R1.123 OCCOCCCCC1CCCCC1 7a_100011215267_100000211926 [0,0,0,1,0,0|1,0,2]=4 9096 B14R1.138 C#CCCCOC1CCCCCC1=O 7a_100000215630_100000243696 [0,0,0,1,0,0|1,0,2]=4 9097 B14R1.138 C#CCCCSC1CCCCCC1=O 62a_100000243696_100011215417 [0,0,0,1,0,0|1,0,2]=4 9098 B14R1.138 C#CCCCSC1CCCCCC1=O 62a_100011215417_100000243696 [0,0,0,1,0,0|1,0,2]=4 9099 B14R1.138 C=CCCCOC1CCCCCC1=O 7a_100000758997_100000243696 [0,0,0,1,0,0|1,0,2]=4 9100 B14R1.138 C=CCCCSC1CCCCCC1=O 62a_100000243696_100000757094 [0,0,0,1,0,0|1,0,2]=4 9101 B14R1.138 C=CCCCSC1CCCCCC1=O 62a_100011713584_100000243696 [0,0,0,1,0,0|1,0,2]=4 9102 B14R1.138 CC/C=C\CSC1CCCCCC1=O 62a_100000243696_100103147603 [0,0,0,1,0,0|1,0,2]=4 9103 B14R1.138 CC/C=C\CSC1CCCCCC1=O 62a_100103147603_100000243696 [0,0,0,1,0,0|1,0,2]=4 9104 B14R1.138 CCC#CCSC1CCCCCC1=O 62a_100000243696_100009813939 [0,0,0,1,0,0|1,0,2]=4 9105 B14R1.138 CCC#CCSC1CCCCCC1=O 62a_100009813939_100000243696 [0,0,0,1,0,0|1,0,2]=4 9106 B14R1.138 CCCCCNC1CCCCNC1=O 2230a_100000209983_100000735217 [0,0,0,1,0,0|2,0,0]=3 9107 B14R1.138 CCCCCNC1CCCCNC1=O 2230a_100000698827_100000210326 [0,0,0,1,0,0|2,0,0]=3 9108 B14R1.138 CCCCCNC1CCCCNC1=O 34a_100000698827_100000718602 [0,0,0,1,0,0|2,0,0]=3 9109 B14R1.138 CCCCCOC1CCCCCC1=O 7a_100000210253_100000243696 [0,0,0,1,0,0|1,0,0]=2 9110 B14R1.138 CCCCCOC1CCCCNC1=O 7a_100000210253_100000735217 [0,0,0,1,0,0|2,0,0]=3 9111 B14R1.138 CCCCCSC1CCCCCC1=O 62a_100000210326_100000243696 [0,0,0,1,0,0|1,0,0]=2 9112 B14R1.138 CCCCCSC1CCCCCC1=O 62a_100000243696_100000210326 [0,0,0,1,0,0|1,0,0]=2 9113 B14R1.138 CCCCCSC1CCCCNC1=O 62a_100000210326_100000735217 [0,0,0,1,0,0|2,0,0]=3 9114 B14R1.138 CCCCCSC1CCCCNC1=O 62a_100000735217_100000210326 [0,0,0,1,0,0|2,0,0]=3 9115 B14R1.138 CCNCCCN1CCCCCC1=O 2230a_100000195386_100000210202 [0,0,0,1,0,0|2,0,0]=3 9116 B14R1.138 CCNCCCN1CCCCCC1=O 34a_100000195386_100000210202 [0,0,0,1,0,0|2,0,0]=3 9117 B14R1.138 CCOCCNC1CCCCNC1=O 2230a_100000698827_100011215890 [0,0,0,1,0,0|3,0,0]=4 9118 B14R1.138 CCOCCNC1CCCCNC1=O 2230a_102516460346_100000735217 [0,0,0,1,0,0|3,0,0]=4 9119 B14R1.138 CCOCCNC1CCCCNC1=O 34a_100000698827_100000210147 [0,0,0,1,0,0|3,0,0]=4 9120 B14R1.138 CCOCCOC1CCCCCC1=O 7a_100000210136_100000243696 [0,0,0,1,0,0|2,0,0]=3 9121 B14R1.138 CCOCCOC1CCCCNC1=O 7a_100000210136_100000735217 [0,0,0,1,0,0|3,0,0]=4 9122 B14R1.138 CCOCCSC1CCCCCC1=O 62a_100000210147_100000243696 [0,0,0,1,0,0|2,0,0]=3 9123 B14R1.138 CCOCCSC1CCCCCC1=O 62a_100000243696_100011215890 [0,0,0,1,0,0|2,0,0]=3 9124 B14R1.138 CCOCCSC1CCCCNC1=O 62a_100000210147_100000735217 [0,0,0,1,0,0|3,0,0]=4 9125 B14R1.138 CCOCCSC1CCCCNC1=O 62a_100000735217_100011215890 [0,0,0,1,0,0|3,0,0]=4 9126 B14R1.138 CCSCCNC1CCCCNC1=O 2230a_100000106463_100000735217 [0,0,0,1,0,0|3,0,0]=4 9127 B14R1.138 CCSCCNC1CCCCNC1=O 2230a_100000698827_100000757381 [0,0,0,1,0,0|3,0,0]=4 9128 B14R1.138 CCSCCNC1CCCCNC1=O 34a_100000698827_100000757381 [0,0,0,1,0,0|3,0,0]=4 9129 B14R1.138 CCSCCOC1CCCCCC1=O 7a_100000212035_100000243696 [0,0,0,1,0,0|2,0,0]=3 9130 B14R1.138 CCSCCOC1CCCCNC1=O 7a_100000212035_100000735217 [0,0,0,1,0,0|3,0,0]=4 9131 B14R1.138 CCSCCSC1CCCCCC1=O 62a_100000243696_100000757381 [0,0,0,1,0,0|2,0,0]=3 9132 B14R1.138 CCSCCSC1CCCCCC1=O 62a_100000757381_100000243696 [0,0,0,1,0,0|2,0,0]=3 9133 B14R1.138 CCSCCSC1CCCCNC1=O 62a_100000735217_100000757381 [0,0,0,1,0,0|3,0,0]=4 9134 B14R1.138 CCSCCSC1CCCCNC1=O 62a_100000757381_100000735217 [0,0,0,1,0,0|3,0,0]=4 9135 B14R1.138 COCCCNC1CCCCNC1=O 2230a_100000698827_100000740836 [0,0,0,1,0,0|3,0,0]=4 9136 B14R1.138 COCCCNC1CCCCNC1=O 34a_100000698827_100000740836 [0,0,0,1,0,0|3,0,0]=4 9137 B14R1.138 COCCCSC1CCCCCC1=O 62a_100000243696_100000709357 [0,0,0,1,0,0|2,0,0]=3 9138 B14R1.138 COCCCSC1CCCCCC1=O 62a_100000709357_100000243696 [0,0,0,1,0,0|2,0,0]=3 9139 B14R1.138 COCCCSC1CCCCNC1=O 62a_100000709357_100000735217 [0,0,0,1,0,0|3,0,0]=4 9140 B14R1.138 COCCCSC1CCCCNC1=O 62a_100000735217_100000709357 [0,0,0,1,0,0|3,0,0]=4 9141 B14R1.138 CSCCCNC1CCCCNC1=O 2230a_100000749238_100000735217 [0,0,0,1,0,0|3,0,0]=4 9142 B14R1.138 CSCCCOC1CCCCCC1=O 7a_100000690336_100000243696 [0,0,0,1,0,0|2,0,0]=3 9143 B14R1.138 CSCCCOC1CCCCNC1=O 7a_100000690336_100000735217 [0,0,0,1,0,0|3,0,0]=4 9144 B14R1.138 N#CCCCSC1CCCCCC1=O 62a_100000243696_100000687738 [0,0,0,1,0,0|2,0,1]=4 9145 B14R1.138 N#CCCCSC1CCCCCC1=O 62a_100000687738_100000243696 [0,0,0,1,0,0|2,0,1]=4 9146 B14R1.138 O=C1CCCCCC1OCCCCCl 7a_100000210776_100000243696 [0,0,0,1,0,0|2,0,0]=3 9147 B14R1.138 O=C1CCCCCC1OCCCCF 7a_100011995726_100000243696 [0,0,0,1,0,0|2,0,0]=3 9148 B14R1.138 O=C1CCCCCC1SCCCCF 62a_100000243696_100000729493 [0,0,0,1,0,0|2,0,0]=3 9149 B14R1.138 O=C1CCCCCC1SCCCCF 62a_100000729493_100000243696 [0,0,0,1,0,0|2,0,0]=3 9150 B14R1.138 O=C1CCCCCC1SCCCCO 62a_100000210776_100000243696 [0,0,0,1,0,0|2,0,0]=3 9151 B14R1.138 O=C1CCCCCC1SCCCCO 62a_100000243696_100000210776 [0,0,0,1,0,0|2,0,0]=3 9152 B14R1.138 O=C1CCCCCN1CCCNCF 34a_100000195386_100015361967 [0,0,0,1,0,0|3,0,0]=4 9153 B14R1.138 O=C1NCCCCC1NCCCCF 2230a_100000698827_100000729493 [0,0,0,1,0,0|3,0,0]=4 9154 B14R1.138 O=C1NCCCCC1NCCCCF 34a_100000698827_100000729493 [0,0,0,1,0,0|3,0,0]=4 9155 B14R1.138 O=C1NCCCCC1NCCCCO 2230a_100000698827_100000210776 [0,0,0,1,0,0|3,0,0]=4 9156 B14R1.138 O=C1NCCCCC1NCCCCO 2230a_100000750430_100000735217 [0,0,0,1,0,0|3,0,0]=4 9157 B14R1.138 O=C1NCCCCC1NCCCCO 34a_100000698827_100011216708 [0,0,0,1,0,0|3,0,0]=4 9158 B14R1.138 O=C1NCCCCC1OCCCCCl 7a_100000210776_100000735217 [0,0,0,1,0,0|3,0,0]=4 9159 B14R1.138 O=C1NCCCCC1OCCCCF 7a_100011995726_100000735217 [0,0,0,1,0,0|3,0,0]=4 9160 B14R1.138 O=C1NCCCCC1SCCCCF 62a_100000729493_100000735217 [0,0,0,1,0,0|3,0,0]=4 9161 B14R1.138 O=C1NCCCCC1SCCCCF 62a_100000735217_100000729493 [0,0,0,1,0,0|3,0,0]=4 9162 B14R1.138 O=C1NCCCCC1SCCCCO 62a_100000210776_100000735217 [0,0,0,1,0,0|3,0,0]=4 9163 B14R1.138 O=C1NCCCCC1SCCCCO 62a_100000735217_100000210776 [0,0,0,1,0,0|3,0,0]=4 9164 B14R1.138 O=CCCCSC1CCCCCC1=O 62a_100000243696_200011292268 [0,0,0,1,0,0|2,0,1]=4 9165 B14R1.138 O=CCCCSC1CCCCCC1=O 62a_200011292268_100000243696 [0,0,0,1,0,0|2,0,1]=4 9166 B14R1.216 C#CCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100012276617 [0,0,0,1,0,0|2,0,1]=4 9167 B14R1.216 C#CCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100012276617 [0,0,0,1,0,0|2,0,1]=4 9168 B14R1.216 C#CCCCCCCN1CCC[C@H]1C 2230a_100015189458_100012276617 [0,0,0,1,0,0|2,0,1]=4 9169 B14R1.216 C#CCCCCCCN1CCC[C@H]1C 269982a_100015189458_100012276617 [0,0,0,1,0,0|2,0,1]=4 9170 B14R1.216 C#CCCCCCCN1CCC[C@H]1C 34a_100015189458_100012276617 [0,0,0,1,0,0|2,0,1]=4 9171 B14R1.216 C#CCCCCCOC1CCCC1=O 34a_100000766912_100000709159 [0,0,0,1,0,0|1,0,2]=4 9172 B14R1.216 C#CCCCCCOC1CCCC1=O 34a_200000719330_100012094781 [0,0,0,1,0,0|1,0,2]=4 9173 B14R1.216 C#CCCCCCOC1CCCC1=O 7a_100000766912_100000211823 [0,0,0,1,0,0|1,0,2]=4 9174 B14R1.216 C#CCCCCCOC1CCCC1C 34a_100011216460_100012094781 [0,0,0,1,0,0|2,0,1]=4 9175 B14R1.216 C#CCCCCCOC1CCCC1C 7a_100011216460_100012094781 [0,0,0,1,0,0|2,0,1]=4 9176 B14R1.216 C#CCCCCCSC1CCCC1=O 62a_100000211823_100012094781 [0,0,0,1,0,0|1,0,2]=4 9177 B14R1.216 C#CCCCCCSC1CCCC1=O 62a_100012094781_100000211823 [0,0,0,1,0,0|1,0,2]=4 9178 B14R1.216 C=CCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215473 [0,0,0,1,0,0|2,0,0]=3 9179 B14R1.216 C=CCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215473 [0,0,0,1,0,0|2,0,0]=3 9180 B14R1.216 C=CCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011215473 [0,0,0,1,0,0|2,0,0]=3 9181 B14R1.216 C=CCCCCCCN1CCC[C@H]1C 269982a_100015189458_100011215473 [0,0,0,1,0,0|2,0,0]=3 9182 B14R1.216 C=CCCCCCCN1CCC[C@H]1C 34a_100015189458_100011215473 [0,0,0,1,0,0|2,0,0]=3 9183 B14R1.216 C=CCCCCCCN1CCSC1C 2230a_200011216479_100011215473 [0,0,0,1,0,0|3,0,0]=4 9184 B14R1.216 C=CCCCCCCN1CCSC1C 269982a_200011216479_100011215473 [0,0,0,1,0,0|3,0,0]=4 9185 B14R1.216 C=CCCCCCCN1CCSC1C 34a_200011216479_100011215473 [0,0,0,1,0,0|3,0,0]=4 9186 B14R1.216 C=CCCCCCOC1CCCC1=O 34a_100011216702_100000709159 [0,0,0,1,0,0|1,0,2]=4 9187 B14R1.216 C=CCCCCCOC1CCCC1=O 34a_200000719330_100000700193 [0,0,0,1,0,0|1,0,2]=4 9188 B14R1.216 C=CCCCCCOC1CCCC1=O 7a_100011216702_100000211823 [0,0,0,1,0,0|1,0,2]=4 9189 B14R1.216 C=CCCCCCOC1CCCC1C 34a_100011216460_100000700193 [0,0,0,1,0,0|2,0,0]=3 9190 B14R1.216 C=CCCCCCOC1CCCC1C 7a_100011216460_100000700193 [0,0,0,1,0,0|2,0,0]=3 9191 B14R1.216 C=CCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000700193 [0,0,0,1,0,0|3,0,0]=4 9192 B14R1.216 C=CCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000700193 [0,0,0,1,0,0|3,0,0]=4 9193 B14R1.216 C=CCCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000700193 [0,0,0,1,0,0|3,0,0]=4 9194 B14R1.216 C=CCCCCCSC1CCCC1=O 62a_100000211823_100000700193 [0,0,0,1,0,0|1,0,2]=4 9195 B14R1.216 C=CCCCCCSC1CCCC1=O 62a_100000700193_100000211823 [0,0,0,1,0,0|1,0,2]=4 9196 B14R1.216 C=CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000700193_200016002552 [0,0,0,1,0,0|3,0,0]=4 9197 B14R1.216 C=CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000700193 [0,0,0,1,0,0|3,0,0]=4 9198 B14R1.216 C=CCCCCOCC1CCCN1C 34a_100000743107_100011215482 [0,0,0,1,0,0|3,0,0]=4 9199 B14R1.216 C=CCCCNCCC1CCCN1C 2230a_100000700776_100000005710 [0,0,0,1,0,0|3,0,0]=4 9200 B14R1.216 C=CCCCNCCC1CCCN1C 34a_100000700776_100000005710 [0,0,0,1,0,0|3,0,0]=4 9201 B14R1.216 C=CCCCOCCC1CCCN1C 34a_100000758997_100000005710 [0,0,0,1,0,0|3,0,0]=4 9202 B14R1.216 C=CCCCOCCC1CCCN1C 34a_100011215177_100000757094 [0,0,0,1,0,0|3,0,0]=4 9203 B14R1.216 C=CCCCOCCC1CCCN1C 7a_100000758997_100000005710 [0,0,0,1,0,0|3,0,0]=4 9204 B14R1.216 C=CCCCOCCC1CCCN1C 7a_100011215177_100000757094 [0,0,0,1,0,0|3,0,0]=4 9205 B14R1.216 C=CCCCSCCC1CCCN1C 62a_100000005710_100000757094 [0,0,0,1,0,0|3,0,0]=4 9206 B14R1.216 C=CCCCSCCC1CCCN1C 62a_100011713584_100000005710 [0,0,0,1,0,0|3,0,0]=4 9207 B14R1.216 CC/C=C/CCCOC1CCCC1=O 34a_100016287902_100000709159 [0,0,0,1,0,0|1,0,2]=4 9208 B14R1.216 CC/C=C/CCCOC1CCCC1=O 7a_100016287902_100000211823 [0,0,0,1,0,0|1,0,2]=4 9209 B14R1.216 CC1CCCC1NCCCCCCO 269862a_100000686447_100000752053 [0,0,0,1,0,0|1,0,2]=4 9210 B14R1.216 CC1CCCC1OCCCCCC#N 7a_100011216460_100009813376 [0,0,0,1,0,0|2,0,1]=4 9211 B14R1.216 CC1CCCC1OCCCCCC=O 7a_100011216460_100000139337 [0,0,0,1,0,0|1,0,0]=2 9212 B14R1.216 CC1CCCC1OCCCCCCF 34a_100011216460_100015922095 [0,0,0,1,0,0|2,0,1]=4 9213 B14R1.216 CC1CCCC1OCCCCCCF 7a_100011216460_100015922095 [0,0,0,1,0,0|2,0,1]=4 9214 B14R1.216 CC1CCCC1OCCCCCCO 34a_100011216460_100000766143 [0,0,0,1,0,0|1,0,2]=4 9215 B14R1.216 CC1CCCC1OCCCCCCO 7a_100011216460_100000766143 [0,0,0,1,0,0|1,0,2]=4 9216 B14R1.216 CCCC#CCCOC1CCCC1=O 34a_100000042726_100000709159 [0,0,0,1,0,0|1,0,2]=4 9217 B14R1.216 CCCC#CCCOC1CCCC1=O 7a_100000042726_100000211823 [0,0,0,1,0,0|1,0,2]=4 9218 B14R1.216 CCCC/C=C/COC1CCCC1=O 34a_200016272032_100000709159 [0,0,0,1,0,0|1,0,2]=4 9219 B14R1.216 CCCC/C=C/COC1CCCC1=O 7a_200016272032_100000211823 [0,0,0,1,0,0|1,0,2]=4 9220 B14R1.216 CCCCC#CCOC1CCCC1=O 34a_200000034558_100000709159 [0,0,0,1,0,0|1,0,2]=4 9221 B14R1.216 CCCCC#CCOC1CCCC1=O 7a_200000034558_100000211823 [0,0,0,1,0,0|1,0,2]=4 9222 B14R1.216 CCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210759 [0,0,0,1,0,0|2,0,1]=4 9223 B14R1.216 CCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210759 [0,0,0,1,0,0|2,0,1]=4 9224 B14R1.216 CCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210759 [0,0,0,1,0,0|2,0,1]=4 9225 B14R1.216 CCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210759 [0,0,0,1,0,0|2,0,1]=4 9226 B14R1.216 CCCCCCCCN1CCC[C@H]1C 34a_100015189458_100000210759 [0,0,0,1,0,0|2,0,1]=4 9227 B14R1.216 CCCCCCCNC1CCCC1=O 2230a_100000229938_100000211823 [0,0,0,1,0,0|1,0,0]=2 9228 B14R1.216 CCCCCCCNC1CCCC1C 269862a_100000229938_100000752053 [0,0,0,1,0,0|2,0,1]=4 9229 B14R1.216 CCCCCCCNC1CCNC1=O 2230a_100016995588_100000210681 [0,0,0,1,0,0|2,0,0]=3 9230 B14R1.216 CCCCCCCNC1CCNC1=O 34a_100016995588_100000210614 [0,0,0,1,0,0|2,0,0]=3 9231 B14R1.216 CCCCCCCNC1CCOC1=O 2230a_100000229938_100000211211 [0,0,0,1,0,0|2,0,0]=3 9232 B14R1.216 CCCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210681 [0,0,0,1,0,0|3,0,0]=4 9233 B14R1.216 CCCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210614 [0,0,0,1,0,0|3,0,0]=4 9234 B14R1.216 CCCCCCCOC1CCCC1=O 34a_100000210272_100000709159 [0,0,0,1,0,0|1,0,0]=2 9235 B14R1.216 CCCCCCCOC1CCCC1=O 34a_200000719330_100000210614 [0,0,0,1,0,0|1,0,0]=2 9236 B14R1.216 CCCCCCCOC1CCCC1=O 7a_100000210272_100000211823 [0,0,0,1,0,0|1,0,0]=2 9237 B14R1.216 CCCCCCCOC1CCCC1C 34a_100011216460_100000210614 [0,0,0,1,0,0|2,0,1]=4 9238 B14R1.216 CCCCCCCOC1CCCC1C 7a_100011216460_100000210614 [0,0,0,1,0,0|2,0,1]=4 9239 B14R1.216 CCCCCCCOC1CCOC1=O 34a_100000210272_100000211211 [0,0,0,1,0,0|2,0,0]=3 9240 B14R1.216 CCCCCCCOC1CCOC1=O 7a_100000210272_100000211211 [0,0,0,1,0,0|2,0,0]=3 9241 B14R1.216 CCCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210614 [0,0,0,1,0,0|2,0,1]=4 9242 B14R1.216 CCCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210614 [0,0,0,1,0,0|2,0,1]=4 9243 B14R1.216 CCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210614 [0,0,0,1,0,0|2,0,0]=3 9244 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000210614_100000211823 [0,0,0,1,0,0|1,0,0]=2 9245 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000211823_100000210316 [0,0,0,1,0,0|1,0,0]=2 9246 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000210614_100000211211 [0,0,0,1,0,0|2,0,0]=3 9247 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000211211_100000210316 [0,0,0,1,0,0|2,0,0]=3 9248 B14R1.216 CCCCCCCS[C@@H]1CCC[C@H]1O 62a_100000210614_200016002552 [0,0,0,1,0,0|1,0,2]=4 9249 B14R1.216 CCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210316 [0,0,0,1,0,0|1,0,2]=4 9250 B14R1.216 CCCCCCOCC1=CCCC1=O 34a_100000087531_100000210314 [0,0,0,1,0,0|1,0,2]=4 9251 B14R1.216 CCCCCCOCC1CCCN1C 34a_100000743107_100000210314 [0,0,0,1,0,0|3,0,0]=4 9252 B14R1.216 CCCCCCOCC1CCNC1=O 34a_100000133458_100000210314 [0,0,0,1,0,0|2,0,0]=3 9253 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000026320_100000210757 [0,0,0,1,0,0|2,0,0]=3 9254 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000210314_100000026320 [0,0,0,1,0,0|2,0,0]=3 9255 B14R1.216 CCCCCNCCC1CCCN1C 2230a_100000209983_100000005710 [0,0,0,1,0,0|3,0,0]=4 9256 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100000209983_100000739059 [0,0,0,1,0,0|2,0,0]=3 9257 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100011200922_100000210326 [0,0,0,1,0,0|2,0,0]=3 9258 B14R1.216 CCCCCNCCN1CCNC1=O 2230a_100000209983_100000090651 [0,0,0,1,0,0|3,0,0]=4 9259 B14R1.216 CCCCCNCCN1CCNC1=O 2230a_100011207550_100000210326 [0,0,0,1,0,0|3,0,0]=4 9260 B14R1.216 CCCCCOCCC1CCCN1C 34a_100000210253_100000005710 [0,0,0,1,0,0|3,0,0]=4 9261 B14R1.216 CCCCCOCCC1CCCN1C 34a_100011215177_100000718602 [0,0,0,1,0,0|3,0,0]=4 9262 B14R1.216 CCCCCOCCC1CCCN1C 7a_100000210253_100000005710 [0,0,0,1,0,0|3,0,0]=4 9263 B14R1.216 CCCCCOCCC1CCCN1C 7a_100011215177_100000210326 [0,0,0,1,0,0|3,0,0]=4 9264 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000210253_100000739059 [0,0,0,1,0,0|2,0,0]=3 9265 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000211209_100000718602 [0,0,0,1,0,0|2,0,0]=3 9266 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000210253_100000739059 [0,0,0,1,0,0|2,0,0]=3 9267 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000211209_100000210326 [0,0,0,1,0,0|2,0,0]=3 9268 B14R1.216 CCCCCOCCN1CCNC1=O 34a_100000216532_100000718602 [0,0,0,1,0,0|3,0,0]=4 9269 B14R1.216 CCCCCOCCN1CCNC1=O 7a_100000210253_100000090651 [0,0,0,1,0,0|3,0,0]=4 9270 B14R1.216 CCCCCSCCC1CCCN1C 62a_100000005710_100000210326 [0,0,0,1,0,0|3,0,0]=4 9271 B14R1.216 CCCCCSCCC1CCCN1C 62a_100000210326_100000005710 [0,0,0,1,0,0|3,0,0]=4 9272 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000210326_100000739059 [0,0,0,1,0,0|2,0,0]=3 9273 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000739059_100000210326 [0,0,0,1,0,0|2,0,0]=3 9274 B14R1.216 CCCCCSCCN1CCNC1=O 62a_100000090651_100000210326 [0,0,0,1,0,0|3,0,0]=4 9275 B14R1.216 CCCCCSCCN1CCNC1=O 62a_100000210326_100000090651 [0,0,0,1,0,0|3,0,0]=4 9276 B14R1.216 CCCCNCCCN1CCCC1=O 2230a_100000210347_100000210211 [0,0,0,1,0,0|2,0,0]=3 9277 B14R1.216 CCCCNCCCN1CCCC1=O 34a_100000210347_100000210210 [0,0,0,1,0,0|2,0,0]=3 9278 B14R1.216 CCCCOCCCN1CCCC1=O 34a_100011216539_100000210210 [0,0,0,1,0,0|2,0,0]=3 9279 B14R1.216 CCCCOCCCN1CCCC1=O 7a_100011216539_100000210211 [0,0,0,1,0,0|2,0,0]=3 9280 B14R1.216 CCCCOCCNC1CCNC1=O 2230a_100016995588_100000743108 [0,0,0,1,0,0|3,0,0]=4 9281 B14R1.216 CCCCOCCNC1CCNC1=O 34a_100016995588_100000743108 [0,0,0,1,0,0|3,0,0]=4 9282 B14R1.216 CCCCOCCOC1CCCC1=O 34a_100000210238_100000709159 [0,0,0,1,0,0|2,0,0]=3 9283 B14R1.216 CCCCOCCOC1CCCC1=O 34a_200000719330_100000743108 [0,0,0,1,0,0|2,0,0]=3 9284 B14R1.216 CCCCOCCOC1CCCC1=O 7a_100000210238_100000211823 [0,0,0,1,0,0|2,0,0]=3 9285 B14R1.216 CCCCOCCOC1CCOC1=O 34a_100000210238_100000211211 [0,0,0,1,0,0|3,0,0]=4 9286 B14R1.216 CCCCOCCOC1CCOC1=O 7a_100000210238_100000211211 [0,0,0,1,0,0|3,0,0]=4 9287 B14R1.216 CCCCOCCO[C@H]1CCNC1=O 34a_100000688343_100000743108 [0,0,0,1,0,0|3,0,0]=4 9288 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000211823_100000743108 [0,0,0,1,0,0|2,0,0]=3 9289 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000743108_100000211823 [0,0,0,1,0,0|2,0,0]=3 9290 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000211211_100000743108 [0,0,0,1,0,0|3,0,0]=4 9291 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000743108_100000211211 [0,0,0,1,0,0|3,0,0]=4 9292 B14R1.216 CCCCOCOCC1CCNC1=O 34a_100000133458_100011995733 [0,0,0,1,0,0|3,0,0]=4 9293 B14R1.216 CCCCOCSCN1CCCC1=O 62a_100000026320_100011995733 [0,0,0,1,0,0|3,0,0]=4 9294 B14R1.216 CCCCOCSCN1CCCC1=O 62a_100011995733_100000026320 [0,0,0,1,0,0|3,0,0]=4 9295 B14R1.216 CCCCSCCNC1CCCC1=O 2230a_100025743550_100000211823 [0,0,0,1,0,0|2,0,0]=3 9296 B14R1.216 CCCCSCCNC1CCOC1=O 2230a_100025743550_100000211211 [0,0,0,1,0,0|3,0,0]=4 9297 B14R1.216 CCCCSCCOC1CCCC1=O 34a_200000230436_100000709159 [0,0,0,1,0,0|2,0,0]=3 9298 B14R1.216 CCCCSCCOC1CCCC1=O 7a_200000230436_100000211823 [0,0,0,1,0,0|2,0,0]=3 9299 B14R1.216 CCCCSCCOC1CCOC1=O 34a_200000230436_100000211211 [0,0,0,1,0,0|3,0,0]=4 9300 B14R1.216 CCCCSCCOC1CCOC1=O 7a_200000230436_100000211211 [0,0,0,1,0,0|3,0,0]=4 9301 B14R1.216 CCCOCCCNC1CCCC1=O 2230a_100011217757_100000211823 [0,0,0,1,0,0|2,0,0]=3 9302 B14R1.216 CCCOCCCNC1CCCC1=O 34a_100011217757_100000709159 [0,0,0,1,0,0|2,0,0]=3 9303 B14R1.216 CCCOCCCNC1CCOC1=O 2230a_100011217757_100000211211 [0,0,0,1,0,0|3,0,0]=4 9304 B14R1.216 CCCOCCCNC1CCOC1=O 34a_100011217757_100000211211 [0,0,0,1,0,0|3,0,0]=4 9305 B14R1.216 CCCOCCOCC1CCNC1=O 34a_100000133458_100011215938 [0,0,0,1,0,0|3,0,0]=4 9306 B14R1.216 CCCOCCSCN1CCCC1=O 62a_100000026320_100011215938 [0,0,0,1,0,0|3,0,0]=4 9307 B14R1.216 CCCOCCSCN1CCCC1=O 62a_100011215938_100000026320 [0,0,0,1,0,0|3,0,0]=4 9308 B14R1.216 CCOCCCOCC1CCNC1=O 34a_100000133458_100012232248 [0,0,0,1,0,0|3,0,0]=4 9309 B14R1.216 CCOCCCSCN1CCCC1=O 62a_100000026320_100012232248 [0,0,0,1,0,0|3,0,0]=4 9310 B14R1.216 CCOCCCSCN1CCCC1=O 62a_100012232248_100000026320 [0,0,0,1,0,0|3,0,0]=4 9311 B14R1.216 CCOCCNCCN1CCCC1=O 2230a_100011200922_100011215890 [0,0,0,1,0,0|3,0,0]=4 9312 B14R1.216 CCOCCNCCN1CCCC1=O 2230a_102516460346_100000739059 [0,0,0,1,0,0|3,0,0]=4 9313 B14R1.216 CCOCCNCCN1CCCC1=O 34a_102516460346_100000739059 [0,0,0,1,0,0|3,0,0]=4 9314 B14R1.216 CCOCCOCCN1CCCC1=O 34a_100000210136_100000739059 [0,0,0,1,0,0|3,0,0]=4 9315 B14R1.216 CCOCCOCCN1CCCC1=O 34a_100000211209_100000210147 [0,0,0,1,0,0|3,0,0]=4 9316 B14R1.216 CCOCCOCCN1CCCC1=O 7a_100000210136_100000739059 [0,0,0,1,0,0|3,0,0]=4 9317 B14R1.216 CCOCCOCCN1CCCC1=O 7a_100000211209_100011215890 [0,0,0,1,0,0|3,0,0]=4 9318 B14R1.216 CCOCCSCCN1CCCC1=O 62a_100000210147_100000739059 [0,0,0,1,0,0|3,0,0]=4 9319 B14R1.216 CCOCCSCCN1CCCC1=O 62a_100000739059_100011215890 [0,0,0,1,0,0|3,0,0]=4 9320 B14R1.216 CCSCCNCCN1CCCC1=O 2230a_100000106463_100000739059 [0,0,0,1,0,0|3,0,0]=4 9321 B14R1.216 CCSCCNCCN1CCCC1=O 2230a_100011200922_100000757381 [0,0,0,1,0,0|3,0,0]=4 9322 B14R1.216 CCSCCOCCN1CCCC1=O 34a_100000211209_100000757381 [0,0,0,1,0,0|3,0,0]=4 9323 B14R1.216 CCSCCOCCN1CCCC1=O 34a_100000212035_100000739059 [0,0,0,1,0,0|3,0,0]=4 9324 B14R1.216 CCSCCOCCN1CCCC1=O 7a_100000211209_100000757381 [0,0,0,1,0,0|3,0,0]=4 9325 B14R1.216 CCSCCOCCN1CCCC1=O 7a_100000212035_100000739059 [0,0,0,1,0,0|3,0,0]=4 9326 B14R1.216 CCSCCSCCN1CCCC1=O 62a_100000739059_100000757381 [0,0,0,1,0,0|3,0,0]=4 9327 B14R1.216 CCSCCSCCN1CCCC1=O 62a_100000757381_100000739059 [0,0,0,1,0,0|3,0,0]=4 9328 B14R1.216 CN1CCCC1CCOCCCC=O 7a_100011215177_200011292268 [0,0,0,1,0,0|2,0,0]=3 9329 B14R1.216 CN1CCCC1CCSCCCC=O 62a_100000005710_200011292268 [0,0,0,1,0,0|2,0,0]=3 9330 B14R1.216 CN1CCCC1CCSCCCC=O 62a_200011292268_100000005710 [0,0,0,1,0,0|2,0,0]=3 9331 B14R1.216 CNCCCCCOC1CCCC1=O 34a_100000722520_100000709159 [0,0,0,1,0,0|2,0,0]=3 9332 B14R1.216 CNCCCCCOC1CCOC1=O 34a_100000722520_100000211211 [0,0,0,1,0,0|3,0,0]=4 9333 B14R1.216 CNCCCOCCN1CCCC1=O 34a_100000213112_100000739059 [0,0,0,1,0,0|3,0,0]=4 9334 B14R1.216 CNCCOCCOC1CCCC1=O 34a_100000228057_100000709159 [0,0,0,1,0,0|3,0,0]=4 9335 B14R1.216 COCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011998445 [0,0,0,1,0,0|3,0,0]=4 9336 B14R1.216 COCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100011998445 [0,0,0,1,0,0|3,0,0]=4 9337 B14R1.216 COCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011998445 [0,0,0,1,0,0|3,0,0]=4 9338 B14R1.216 COCCCCCCN1CCC[C@H]1C 269982a_100015189458_100011998445 [0,0,0,1,0,0|3,0,0]=4 9339 B14R1.216 COCCCCCCN1CCC[C@H]1C 34a_100015189458_100011998445 [0,0,0,1,0,0|3,0,0]=4 9340 B14R1.216 COCCCCCNC1CCCC1=O 2230a_100000747528_100000211823 [0,0,0,1,0,0|2,0,0]=3 9341 B14R1.216 COCCCCCNC1CCCC1=O 34a_100000747528_100000709159 [0,0,0,1,0,0|2,0,0]=3 9342 B14R1.216 COCCCCCNC1CCCC1C 269862a_100000747528_100000752053 [0,0,0,1,0,0|3,0,0]=4 9343 B14R1.216 COCCCCCNC1CCOC1=O 2230a_100000747528_100000211211 [0,0,0,1,0,0|3,0,0]=4 9344 B14R1.216 COCCCCCNC1CCOC1=O 34a_100000747528_100000211211 [0,0,0,1,0,0|3,0,0]=4 9345 B14R1.216 COCCCCOCC1CCNC1=O 34a_100000133458_100000755781 [0,0,0,1,0,0|3,0,0]=4 9346 B14R1.216 COCCCCSCN1CCCC1=O 62a_100000026320_100000730899 [0,0,0,1,0,0|3,0,0]=4 9347 B14R1.216 COCCCCSCN1CCCC1=O 62a_100000730899_100000026320 [0,0,0,1,0,0|3,0,0]=4 9348 B14R1.216 COCCCNCCN1CCCC1=O 2230a_100011200922_100000740836 [0,0,0,1,0,0|3,0,0]=4 9349 B14R1.216 COCCCNCCN1CCCC1=O 34a_100150723488_100000739059 [0,0,0,1,0,0|3,0,0]=4 9350 B14R1.216 COCCCOCCN1CCCC1=O 34a_100000211209_100000740836 [0,0,0,1,0,0|3,0,0]=4 9351 B14R1.216 COCCCOCCN1CCCC1=O 34a_100000740835_100000739059 [0,0,0,1,0,0|3,0,0]=4 9352 B14R1.216 COCCCOCCN1CCCC1=O 7a_100000211209_100000740836 [0,0,0,1,0,0|3,0,0]=4 9353 B14R1.216 COCCCSCCN1CCCC1=O 62a_100000709357_100000739059 [0,0,0,1,0,0|3,0,0]=4 9354 B14R1.216 COCCCSCCN1CCCC1=O 62a_100000739059_100000709357 [0,0,0,1,0,0|3,0,0]=4 9355 B14R1.216 COCCNCCCN1CCCC1=O 2230a_100000210347_100011201679 [0,0,0,1,0,0|3,0,0]=4 9356 B14R1.216 COCCNCCCN1CCCC1=O 34a_100000210347_100011201679 [0,0,0,1,0,0|3,0,0]=4 9357 B14R1.216 COCCOCCCN1CCCC1=O 34a_100011216539_100011201679 [0,0,0,1,0,0|3,0,0]=4 9358 B14R1.216 COCCOCCCN1CCCC1=O 7a_100011216539_100000233755 [0,0,0,1,0,0|3,0,0]=4 9359 B14R1.216 COCCOCCNC1CCCC1=O 2230a_100000745349_100000211823 [0,0,0,1,0,0|3,0,0]=4 9360 B14R1.216 COCCOCCNC1CCCC1=O 34a_100000745349_100000709159 [0,0,0,1,0,0|3,0,0]=4 9361 B14R1.216 COCCOCCOC1CCCC1=O 34a_100011215163_100000709159 [0,0,0,1,0,0|3,0,0]=4 9362 B14R1.216 COCCOCCOC1CCCC1=O 34a_200000719330_100000695917 [0,0,0,1,0,0|3,0,0]=4 9363 B14R1.216 COCCOCCOC1CCCC1=O 7a_100011215163_100000211823 [0,0,0,1,0,0|3,0,0]=4 9364 B14R1.216 COCCOCCSC1CCCC1=O 62a_100000211823_100000695917 [0,0,0,1,0,0|3,0,0]=4 9365 B14R1.216 COCCOCCSC1CCCC1=O 62a_100000695917_100000211823 [0,0,0,1,0,0|3,0,0]=4 9366 B14R1.216 CSCCCNCCN1CCCC1=O 2230a_100000749238_100000739059 [0,0,0,1,0,0|3,0,0]=4 9367 B14R1.216 CSCCCOCCN1CCCC1=O 34a_100000690336_100000739059 [0,0,0,1,0,0|3,0,0]=4 9368 B14R1.216 CSCCCOCCN1CCCC1=O 7a_100000690336_100000739059 [0,0,0,1,0,0|3,0,0]=4 9369 B14R1.216 CSCCNCCCN1CCCC1=O 2230a_100000210347_100000751147 [0,0,0,1,0,0|3,0,0]=4 9370 B14R1.216 CSCCNCCCN1CCCC1=O 34a_100000210347_100000212216 [0,0,0,1,0,0|3,0,0]=4 9371 B14R1.216 CSCCOCCCN1CCCC1=O 34a_100011216539_100000212216 [0,0,0,1,0,0|3,0,0]=4 9372 B14R1.216 CSCCOCCCN1CCCC1=O 7a_100011216539_100000212216 [0,0,0,1,0,0|3,0,0]=4 9373 B14R1.216 C[C@@H]1CCCN1CCCCCCC#N 2230a_100015189458_100009813337 [0,0,0,1,0,0|2,0,1]=4 9374 B14R1.216 C[C@@H]1CCCN1CCCCCCC#N 269982a_100015189458_100009813337 [0,0,0,1,0,0|2,0,1]=4 9375 B14R1.216 C[C@@H]1CCCN1CCCCCCCO 2230a_100015189458_100000760002 [0,0,0,1,0,0|1,0,2]=4 9376 B14R1.216 C[C@@H]1CCCN1CCCCCCCO 269982a_100015189458_100000760002 [0,0,0,1,0,0|1,0,2]=4 9377 B14R1.216 C[C@@H]1CCCN1CCCCCCCO 34a_100015189458_100000760002 [0,0,0,1,0,0|1,0,2]=4 9378 B14R1.216 C[C@H]1CCCN1CCCCCCC#N 2230a_100020605311_100009813337 [0,0,0,1,0,0|2,0,1]=4 9379 B14R1.216 C[C@H]1CCCN1CCCCCCC#N 269982a_100020605311_100009813337 [0,0,0,1,0,0|2,0,1]=4 9380 B14R1.216 C[C@H]1CCCN1CCCCCCCO 2230a_100020605311_100000760002 [0,0,0,1,0,0|1,0,2]=4 9381 B14R1.216 C[C@H]1CCCN1CCCCCCCO 269982a_100020605311_100000760002 [0,0,0,1,0,0|1,0,2]=4 9382 B14R1.216 N#CCCCCCSC1CCCC1=O 62a_100000211823_100009813376 [0,0,0,1,0,0|2,0,1]=4 9383 B14R1.216 N#CCCCCCSC1CCCC1=O 62a_100009813376_100000211823 [0,0,0,1,0,0|2,0,1]=4 9384 B14R1.216 NCCCCCCOC1CCCC1=O 34a_100000686447_100000709159 [0,0,0,1,0,0|2,0,0]=3 9385 B14R1.216 NCCCCCCOC1CCOC1=O 34a_100000686447_100000211211 [0,0,0,1,0,0|3,0,0]=4 9386 B14R1.216 NCCCCOCCN1CCCC1=O 34a_100000750430_100000739059 [0,0,0,1,0,0|3,0,0]=4 9387 B14R1.216 O=C1CCCC1NCCCCCCO 2230a_100000686447_100000211823 [0,0,0,1,0,0|2,0,0]=3 9388 B14R1.216 O=C1CCCC1NCCCCCCO 34a_100000686447_100000709159 [0,0,0,1,0,0|2,0,0]=3 9389 B14R1.216 O=C1CCCC1OCCCCCCBr 34a_100011215345_100000709159 [0,0,0,1,0,0|2,0,0]=3 9390 B14R1.216 O=C1CCCC1OCCCCCCBr 7a_100011215345_100000211823 [0,0,0,1,0,0|2,0,0]=3 9391 B14R1.216 O=C1CCCC1OCCCCCCCl 34a_100000766143_100000709159 [0,0,0,1,0,0|2,0,0]=3 9392 B14R1.216 O=C1CCCC1OCCCCCCCl 7a_100000766143_100000211823 [0,0,0,1,0,0|2,0,0]=3 9393 B14R1.216 O=C1CCCC1OCCCCCCF 34a_100000732779_100000709159 [0,0,0,1,0,0|2,0,0]=3 9394 B14R1.216 O=C1CCCC1OCCCCCCF 34a_200000719330_100015922095 [0,0,0,1,0,0|2,0,0]=3 9395 B14R1.216 O=C1CCCC1OCCCCCCF 7a_100000732779_100000211823 [0,0,0,1,0,0|2,0,0]=3 9396 B14R1.216 O=C1CCCC1OCCCCCCO 34a_200000719330_100000766143 [0,0,0,1,0,0|2,0,0]=3 9397 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100000211823_100015922095 [0,0,0,1,0,0|2,0,0]=3 9398 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100015922095_100000211823 [0,0,0,1,0,0|2,0,0]=3 9399 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000211823_100000766143 [0,0,0,1,0,0|2,0,0]=3 9400 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000766143_100000211823 [0,0,0,1,0,0|2,0,0]=3 9401 B14R1.216 O=C1CCCN1CCCNCCCF 2230a_100000210347_100011934791 [0,0,0,1,0,0|3,0,0]=4 9402 B14R1.216 O=C1CCCN1CCCNCCCF 34a_100000210347_100011934791 [0,0,0,1,0,0|3,0,0]=4 9403 B14R1.216 O=C1CCCN1CCCNCCCO 2230a_100000210347_100000230001 [0,0,0,1,0,0|3,0,0]=4 9404 B14R1.216 O=C1CCCN1CCCNCCCO 34a_100000210347_100000230001 [0,0,0,1,0,0|3,0,0]=4 9405 B14R1.216 O=C1CCCN1CCCOCCCF 34a_100011216539_100011934791 [0,0,0,1,0,0|3,0,0]=4 9406 B14R1.216 O=C1CCCN1CCCOCCCF 7a_100011216539_100011934791 [0,0,0,1,0,0|3,0,0]=4 9407 B14R1.216 O=C1CCCN1CCCOCCCO 34a_100011216539_100000230001 [0,0,0,1,0,0|3,0,0]=4 9408 B14R1.216 O=C1CCCN1CCCOCCCO 7a_100011216539_100011215043 [0,0,0,1,0,0|3,0,0]=4 9409 B14R1.216 O=C1CCCN1CCNCCCCF 2230a_100011200922_100000729493 [0,0,0,1,0,0|3,0,0]=4 9410 B14R1.216 O=C1CCCN1CCNCCCCO 2230a_100000750430_100000739059 [0,0,0,1,0,0|3,0,0]=4 9411 B14R1.216 O=C1CCCN1CCNCCCCO 2230a_100011200922_100000210776 [0,0,0,1,0,0|3,0,0]=4 9412 B14R1.216 O=C1CCCN1CCNCCCCO 34a_100000750430_100000739059 [0,0,0,1,0,0|3,0,0]=4 9413 B14R1.216 O=C1CCCN1CCOCCCCBr 34a_100011216708_100000739059 [0,0,0,1,0,0|3,0,0]=4 9414 B14R1.216 O=C1CCCN1CCOCCCCCl 34a_100000210776_100000739059 [0,0,0,1,0,0|3,0,0]=4 9415 B14R1.216 O=C1CCCN1CCOCCCCCl 7a_100000210776_100000739059 [0,0,0,1,0,0|3,0,0]=4 9416 B14R1.216 O=C1CCCN1CCOCCCCF 34a_100000211209_100000729493 [0,0,0,1,0,0|3,0,0]=4 9417 B14R1.216 O=C1CCCN1CCOCCCCF 34a_100011995726_100000739059 [0,0,0,1,0,0|3,0,0]=4 9418 B14R1.216 O=C1CCCN1CCOCCCCF 7a_100000211209_100000729493 [0,0,0,1,0,0|3,0,0]=4 9419 B14R1.216 O=C1CCCN1CCOCCCCF 7a_100011995726_100000739059 [0,0,0,1,0,0|3,0,0]=4 9420 B14R1.216 O=C1CCCN1CCOCCCCI 34a_200012148704_100000739059 [0,0,0,1,0,0|3,0,0]=4 9421 B14R1.216 O=C1CCCN1CCOCCCCO 34a_100000211209_100011216708 [0,0,0,1,0,0|3,0,0]=4 9422 B14R1.216 O=C1CCCN1CCOCCCCO 7a_100000211209_100000210776 [0,0,0,1,0,0|3,0,0]=4 9423 B14R1.216 O=C1CCCN1CCSCCCCF 62a_100000729493_100000739059 [0,0,0,1,0,0|3,0,0]=4 9424 B14R1.216 O=C1CCCN1CCSCCCCF 62a_100000739059_100000729493 [0,0,0,1,0,0|3,0,0]=4 9425 B14R1.216 O=C1CCCN1CCSCCCCO 62a_100000210776_100000739059 [0,0,0,1,0,0|3,0,0]=4 9426 B14R1.216 O=C1CCCN1CCSCCCCO 62a_100000739059_100000210776 [0,0,0,1,0,0|3,0,0]=4 9427 B14R1.216 O=C1CCCN1CSCCCCCF 62a_100000026320_100000729378 [0,0,0,1,0,0|3,0,0]=4 9428 B14R1.216 O=C1CCCN1CSCCCCCF 62a_100000729378_100000026320 [0,0,0,1,0,0|3,0,0]=4 9429 B14R1.216 O=C1CCCN1CSCCCCCO 62a_100000026320_100000746330 [0,0,0,1,0,0|3,0,0]=4 9430 B14R1.216 O=C1CCCN1CSCCCCCO 62a_100000746330_100000026320 [0,0,0,1,0,0|3,0,0]=4 9431 B14R1.216 O=C1NCCC1COCCCCCF 34a_100000133458_100000729378 [0,0,0,1,0,0|3,0,0]=4 9432 B14R1.216 O=C1NCCC1COCCCCCO 34a_100000133458_100000746330 [0,0,0,1,0,0|3,0,0]=4 9433 B14R1.216 O=C1NCCC1NCCCCCCF 2230a_100016995588_100015922095 [0,0,0,1,0,0|3,0,0]=4 9434 B14R1.216 O=C1NCCC1NCCCCCCF 34a_100016995588_100015922095 [0,0,0,1,0,0|3,0,0]=4 9435 B14R1.216 O=C1NCCC1NCCCCCCO 2230a_100016995588_100000766143 [0,0,0,1,0,0|3,0,0]=4 9436 B14R1.216 O=C1NCCC1NCCCCCCO 34a_100016995588_100000766143 [0,0,0,1,0,0|3,0,0]=4 9437 B14R1.216 O=C1NCC[C@@H]1OCCCCCCF 34a_100000688343_100015922095 [0,0,0,1,0,0|3,0,0]=4 9438 B14R1.216 O=C1NCC[C@@H]1OCCCCCCO 34a_100000688343_100000766143 [0,0,0,1,0,0|3,0,0]=4 9439 B14R1.216 O=C1OCCC1NCCCCCCO 2230a_100000686447_100000211211 [0,0,0,1,0,0|3,0,0]=4 9440 B14R1.216 O=C1OCCC1NCCCCCCO 34a_100000686447_100000211211 [0,0,0,1,0,0|3,0,0]=4 9441 B14R1.216 O=C1OCCC1OCCCCCCBr 34a_100011215345_100000211211 [0,0,0,1,0,0|3,0,0]=4 9442 B14R1.216 O=C1OCCC1OCCCCCCBr 7a_100011215345_100000211211 [0,0,0,1,0,0|3,0,0]=4 9443 B14R1.216 O=C1OCCC1OCCCCCCCl 34a_100000766143_100000211211 [0,0,0,1,0,0|3,0,0]=4 9444 B14R1.216 O=C1OCCC1OCCCCCCCl 7a_100000766143_100000211211 [0,0,0,1,0,0|3,0,0]=4 9445 B14R1.216 O=C1OCCC1OCCCCCCF 34a_100000732779_100000211211 [0,0,0,1,0,0|3,0,0]=4 9446 B14R1.216 O=C1OCCC1OCCCCCCF 7a_100000732779_100000211211 [0,0,0,1,0,0|3,0,0]=4 9447 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100000211211_100015922095 [0,0,0,1,0,0|3,0,0]=4 9448 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100015922095_100000211211 [0,0,0,1,0,0|3,0,0]=4 9449 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000211211_100000766143 [0,0,0,1,0,0|3,0,0]=4 9450 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000766143_100000211211 [0,0,0,1,0,0|3,0,0]=4 9451 B14R1.216 O=CCCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000139337 [0,0,0,1,0,0|3,0,0]=4 9452 B14R1.216 O=CCCCCCSC1CCCC1=O 62a_100000139337_100000211823 [0,0,0,1,0,0|2,0,1]=4 9453 B14R1.216 O=CCCCCCSC1CCCC1=O 62a_100000211823_100000139337 [0,0,0,1,0,0|2,0,1]=4 9454 B14R1.216 O=CCCCCCSC1COCC1O 62a_100000139337_200000725654 [0,0,0,1,0,0|3,0,0]=4 9455 B14R1.216 O=CCCCCCSC1COCC1O 62a_200000725654_100000139337 [0,0,0,1,0,0|3,0,0]=4 9456 B14R1.216 O=CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000139337_200016002552 [0,0,0,1,0,0|2,0,0]=3 9457 B14R1.216 O=CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139337 [0,0,0,1,0,0|2,0,0]=3 9458 B14R1.221 BrCCCCCCCCCOC1CC1 34a_100009813782_100000211595 [0,0,0,1,0,0|2,0,1]=4 9459 B14R1.221 BrCCCCCCCCOCC1CC1 34a_100009813846_100000742324 [0,0,0,1,0,0|2,0,1]=4 9460 B14R1.221 BrCCCCCCCCOCC1CC1 7a_100009813846_100000742324 [0,0,0,1,0,0|2,0,1]=4 9461 B14R1.221 BrCCCCCCCOCCC1CC1 34a_100000760002_100000694398 [0,0,0,1,0,0|2,0,1]=4 9462 B14R1.221 BrCCCCCCCOCCC1CC1 7a_100000760002_100000764125 [0,0,0,1,0,0|2,0,1]=4 9463 B14R1.221 C#CCCCCCCCCOC1CC1 34a_100000065265_100000211595 [0,0,0,1,0,0|2,0,1]=4 9464 B14R1.221 C#CCCCCCCCNCC1CC1 2230a_100000735609_100153394163 [0,0,0,1,0,0|2,0,1]=4 9465 B14R1.221 C#CCCCCCCCNCC1CC1 34a_100000735609_100153394163 [0,0,0,1,0,0|2,0,1]=4 9466 B14R1.221 C#CCCCCCCCOCC1CC1 34a_100000054614_100000742324 [0,0,0,1,0,0|2,0,1]=4 9467 B14R1.221 C#CCCCCCCCOCC1CC1 34a_100000211283_100153394163 [0,0,0,1,0,0|2,0,1]=4 9468 B14R1.221 C#CCCCCCCCOCC1CC1 7a_100000054614_100000742324 [0,0,0,1,0,0|2,0,1]=4 9469 B14R1.221 C#CCCCCCCCSCC1CC1 62a_100000756562_100153394163 [0,0,0,1,0,0|2,0,1]=4 9470 B14R1.221 C#CCCCCCCCSCC1CC1 62a_100153394163_100000742324 [0,0,0,1,0,0|2,0,1]=4 9471 B14R1.221 C#CCCCCCCNCCC1CC1 34a_100000764129_100012276617 [0,0,0,1,0,0|2,0,1]=4 9472 B14R1.221 C#CCCCCCCOCCC1CC1 34a_100000754188_100012276617 [0,0,0,1,0,0|2,0,1]=4 9473 B14R1.221 C#CCCCCCCOCCC1CC1 34a_100011217361_100000694398 [0,0,0,1,0,0|2,0,1]=4 9474 B14R1.221 C#CCCCCCCOCCC1CC1 7a_100000754188_100012276617 [0,0,0,1,0,0|2,0,1]=4 9475 B14R1.221 C#CCCCCCCOCCC1CC1 7a_100011217361_100000764125 [0,0,0,1,0,0|2,0,1]=4 9476 B14R1.221 C#CCCCCCCSCCC1CC1 62a_100000764125_100012276617 [0,0,0,1,0,0|2,0,1]=4 9477 B14R1.221 C#CCCCCCCSCCC1CC1 62a_100012276617_100000764125 [0,0,0,1,0,0|2,0,1]=4 9478 B14R1.221 C=CCCCCCCCCNC1CC1 34a_100000212008_100011933949 [0,0,0,1,0,0|2,0,0]=3 9479 B14R1.221 C=CCCCCCCCCOC1CC1 34a_100011215194_100000211595 [0,0,0,1,0,0|2,0,0]=3 9480 B14R1.221 C=CCCCCCCCCSC1CC1 62a_100011933949_100000211595 [0,0,0,1,0,0|2,0,0]=3 9481 B14R1.221 C=CCCCCCCCNCC1CC1 2230a_100000735609_100012355270 [0,0,0,1,0,0|2,0,0]=3 9482 B14R1.221 C=CCCCCCCCNCC1CC1 34a_100000735609_100012355270 [0,0,0,1,0,0|2,0,0]=3 9483 B14R1.221 C=CCCCCCCCOCC1CC1 34a_100000211283_100012355270 [0,0,0,1,0,0|2,0,0]=3 9484 B14R1.221 C=CCCCCCCCOCC1CC1 34a_100000730831_100000742324 [0,0,0,1,0,0|2,0,0]=3 9485 B14R1.221 C=CCCCCCCCOCC1CC1 7a_100000730831_100000742324 [0,0,0,1,0,0|2,0,0]=3 9486 B14R1.221 C=CCCCCCCCOCC1CO1 34a_100000730831_102125554688 [0,0,0,1,0,0|3,0,0]=4 9487 B14R1.221 C=CCCCCCCCOCC1CO1 7a_100000730831_102125554688 [0,0,0,1,0,0|3,0,0]=4 9488 B14R1.221 C=CCCCCCCCOCC1CS1 7a_100000730831_100000031435 [0,0,0,1,0,0|3,0,0]=4 9489 B14R1.221 C=CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100012355270 [0,0,0,1,0,0|3,0,0]=4 9490 B14R1.221 C=CCCCCCCCOC[C@@H]1CO1 7a_100000730831_100000745022 [0,0,0,1,0,0|3,0,0]=4 9491 B14R1.221 C=CCCCCCCCSCC1CC1 62a_100000756562_100012355270 [0,0,0,1,0,0|2,0,0]=3 9492 B14R1.221 C=CCCCCCCCSCC1CC1 62a_100012355270_100000742324 [0,0,0,1,0,0|2,0,0]=3 9493 B14R1.221 C=CCCCCCCCSCC1CO1 62a_100012355270_102125554688 [0,0,0,1,0,0|3,0,0]=4 9494 B14R1.221 C=CCCCCCCCSCC1CO1 62a_102125554688_100012355270 [0,0,0,1,0,0|3,0,0]=4 9495 B14R1.221 C=CCCCCCCCSCC1CS1 62a_100000031435_100012355270 [0,0,0,1,0,0|3,0,0]=4 9496 B14R1.221 C=CCCCCCCCSCC1CS1 62a_100012355270_100000031435 [0,0,0,1,0,0|3,0,0]=4 9497 B14R1.221 C=CCCCCCCCSC[C@@H]1CO1 62a_100000745022_100012355270 [0,0,0,1,0,0|3,0,0]=4 9498 B14R1.221 C=CCCCCCCCSC[C@@H]1CO1 62a_100012355270_100000745022 [0,0,0,1,0,0|3,0,0]=4 9499 B14R1.221 C=CCCCCCCNCCC1CC1 34a_100000764129_100011215473 [0,0,0,1,0,0|2,0,0]=3 9500 B14R1.221 C=CCCCCCCOCCC1CC1 34a_100000754188_100011215473 [0,0,0,1,0,0|2,0,0]=3 9501 B14R1.221 C=CCCCCCCOCCC1CC1 34a_200011216477_100000694398 [0,0,0,1,0,0|2,0,0]=3 9502 B14R1.221 C=CCCCCCCOCCC1CC1 7a_100000754188_100011215473 [0,0,0,1,0,0|2,0,0]=3 9503 B14R1.221 C=CCCCCCCOCCC1CC1 7a_200011216477_100000764125 [0,0,0,1,0,0|2,0,0]=3 9504 B14R1.221 C=CCCCCCCOCCC1CO1 34a_200011216477_100000732470 [0,0,0,1,0,0|3,0,0]=4 9505 B14R1.221 C=CCCCCCCOCCC1CO1 7a_200011216477_100000732470 [0,0,0,1,0,0|3,0,0]=4 9506 B14R1.221 C=CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100011215473 [0,0,0,1,0,0|3,0,0]=4 9507 B14R1.221 C=CCCCCCCSCCC1CC1 62a_100000764125_100011215473 [0,0,0,1,0,0|2,0,0]=3 9508 B14R1.221 C=CCCCCCCSCCC1CC1 62a_100011215473_100000764125 [0,0,0,1,0,0|2,0,0]=3 9509 B14R1.221 C=CCCCCCCSCCC1CO1 62a_100000732470_100011215473 [0,0,0,1,0,0|3,0,0]=4 9510 B14R1.221 C=CCCCCCCSCCC1CO1 62a_100011215473_100000732470 [0,0,0,1,0,0|3,0,0]=4 9511 B14R1.221 C=CCCCCCOCCCC1CO1 34a_100011216702_100000733510 [0,0,0,1,0,0|3,0,0]=4 9512 B14R1.221 C=CCCCCCOCCCC1CO1 7a_100011216702_100000733510 [0,0,0,1,0,0|3,0,0]=4 9513 B14R1.221 C=CCCCCCOCCNC1CC1 34a_100000738766_100000700193 [0,0,0,1,0,0|3,0,0]=4 9514 B14R1.221 C=CCCCCCSCCCC1CO1 62a_100000700193_100000733510 [0,0,0,1,0,0|3,0,0]=4 9515 B14R1.221 C=CCCCCCSCCCC1CO1 62a_100000733510_100000700193 [0,0,0,1,0,0|3,0,0]=4 9516 B14R1.221 CCCCCCCCCCNC1CC1 34a_100000212008_100000210320 [0,0,0,1,0,0|2,0,1]=4 9517 B14R1.221 CCCCCCCCCCNC1CC1 34a_100000684558_100000211595 [0,0,0,1,0,0|2,0,1]=4 9518 B14R1.221 CCCCCCCCCCOC1CC1 34a_100000210711_100000211595 [0,0,0,1,0,0|2,0,1]=4 9519 B14R1.221 CCCCCCCCCNCC1CC1 2230a_100000212291_100000742324 [0,0,0,1,0,0|2,0,1]=4 9520 B14R1.221 CCCCCCCCCNCC1CC1 2230a_100000735609_100011214924 [0,0,0,1,0,0|2,0,1]=4 9521 B14R1.221 CCCCCCCCCNCC1CC1 269862a_100000212291_100000741477 [0,0,0,1,0,0|2,0,1]=4 9522 B14R1.221 CCCCCCCCCNCC1CC1 34a_100000212291_100000742324 [0,0,0,1,0,0|2,0,1]=4 9523 B14R1.221 CCCCCCCCCNCC1CC1 34a_100000735609_100011214924 [0,0,0,1,0,0|2,0,1]=4 9524 B14R1.221 CCCCCCCCCNCC1CO1 2230a_100000212291_100011216344 [0,0,0,1,0,0|1,0,2]=4 9525 B14R1.221 CCCCCCCCCNCC1CO1 34a_100000212291_102125554688 [0,0,0,1,0,0|1,0,2]=4 9526 B14R1.221 CCCCCCCCCOCC1CC1 34a_100000210712_100000742324 [0,0,0,1,0,0|2,0,1]=4 9527 B14R1.221 CCCCCCCCCOCC1CC1 34a_100000211283_100011214924 [0,0,0,1,0,0|2,0,1]=4 9528 B14R1.221 CCCCCCCCCOCC1CC1 7a_100000210712_100000742324 [0,0,0,1,0,0|2,0,1]=4 9529 B14R1.221 CCCCCCCCCOCC1CO1 34a_100000210712_102125554688 [0,0,0,1,0,0|1,0,2]=4 9530 B14R1.221 CCCCCCCCCOCC1CO1 7a_100000210712_102125554688 [0,0,0,1,0,0|1,0,2]=4 9531 B14R1.221 CCCCCCCCCOCC1CS1 7a_100000210712_100000031435 [0,0,0,1,0,0|1,1,1]=4 9532 B14R1.221 CCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100011214924 [0,0,0,1,0,0|1,0,2]=4 9533 B14R1.221 CCCCCCCCCOC[C@@H]1CO1 7a_100000210712_100000745022 [0,0,0,1,0,0|1,0,2]=4 9534 B14R1.221 CCCCCCCCCSCC1CC1 62a_100000756562_100000210670 [0,0,0,1,0,0|2,0,1]=4 9535 B14R1.221 CCCCCCCCCSCC1CO1 62a_102125554688_100000210670 [0,0,0,1,0,0|1,0,2]=4 9536 B14R1.221 CCCCCCCCCSCC1CS1 62a_100000031435_100000210670 [0,0,0,1,0,0|1,1,1]=4 9537 B14R1.221 CCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210670 [0,0,0,1,0,0|1,0,2]=4 9538 B14R1.221 CCCCCCCCNCCC1CC1 2230a_100000229939_100000694398 [0,0,0,1,0,0|2,0,1]=4 9539 B14R1.221 CCCCCCCCNCCC1CC1 34a_100000229939_100000694398 [0,0,0,1,0,0|2,0,1]=4 9540 B14R1.221 CCCCCCCCNCCC1CC1 34a_100000764129_100000210759 [0,0,0,1,0,0|2,0,1]=4 9541 B14R1.221 CCCCCCCCNCCC1CO1 2230a_100000229939_100000732470 [0,0,0,1,0,0|1,0,2]=4 9542 B14R1.221 CCCCCCCCNCCC1CO1 34a_100000229939_100000732470 [0,0,0,1,0,0|1,0,2]=4 9543 B14R1.221 CCCCCCCCOCCC1CC1 34a_100000210232_100000694398 [0,0,0,1,0,0|2,0,1]=4 9544 B14R1.221 CCCCCCCCOCCC1CC1 34a_100000754188_100000210759 [0,0,0,1,0,0|2,0,1]=4 9545 B14R1.221 CCCCCCCCOCCC1CC1 7a_100000210232_100000764125 [0,0,0,1,0,0|2,0,1]=4 9546 B14R1.221 CCCCCCCCOCCC1CC1 7a_100000754188_100000210759 [0,0,0,1,0,0|2,0,1]=4 9547 B14R1.221 CCCCCCCCOCCC1CO1 34a_100000210232_100000732470 [0,0,0,1,0,0|1,0,2]=4 9548 B14R1.221 CCCCCCCCOCCC1CO1 7a_100000210232_100000732470 [0,0,0,1,0,0|1,0,2]=4 9549 B14R1.221 CCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210759 [0,0,0,1,0,0|1,0,2]=4 9550 B14R1.221 CCCCCCCCSCCC1CC1 62a_100000210759_100000764125 [0,0,0,1,0,0|2,0,1]=4 9551 B14R1.221 CCCCCCCCSCCC1CC1 62a_100000764125_100000210317 [0,0,0,1,0,0|2,0,1]=4 9552 B14R1.221 CCCCCCCCSCCC1CO1 62a_100000210759_100000732470 [0,0,0,1,0,0|1,0,2]=4 9553 B14R1.221 CCCCCCCCSCCC1CO1 62a_100000732470_100000210317 [0,0,0,1,0,0|1,0,2]=4 9554 B14R1.221 CCCCCCCNCCCC1CO1 2230a_100000229938_100000733510 [0,0,0,1,0,0|1,0,2]=4 9555 B14R1.221 CCCCCCCOCCCC1CO1 34a_100000210272_100000733510 [0,0,0,1,0,0|1,0,2]=4 9556 B14R1.221 CCCCCCCOCCCC1CO1 7a_100000210272_100000733510 [0,0,0,1,0,0|1,0,2]=4 9557 B14R1.221 CCCCCCCSCCCC1CO1 62a_100000210614_100000733510 [0,0,0,1,0,0|1,0,2]=4 9558 B14R1.221 CCCCCCCSCCCC1CO1 62a_100000733510_100000210316 [0,0,0,1,0,0|1,0,2]=4 9559 B14R1.221 COCCCCCCNCCC1CC1 34a_100000764129_100011998445 [0,0,0,1,0,0|3,0,0]=4 9560 B14R1.221 COCCCCCCOCCC1CC1 34a_100000754188_100011998445 [0,0,0,1,0,0|3,0,0]=4 9561 B14R1.221 COCCCCCCOCCC1CC1 34a_200012092642_100000694398 [0,0,0,1,0,0|3,0,0]=4 9562 B14R1.221 COCCCCCCOCCC1CC1 7a_100000754188_100011998445 [0,0,0,1,0,0|3,0,0]=4 9563 B14R1.221 COCCCCCCOCCC1CC1 7a_200012092642_100000764125 [0,0,0,1,0,0|3,0,0]=4 9564 B14R1.221 COCCCCCCSCCC1CC1 62a_100000764125_100011998445 [0,0,0,1,0,0|3,0,0]=4 9565 B14R1.221 COCCCCCCSCCC1CC1 62a_100011998445_100000764125 [0,0,0,1,0,0|3,0,0]=4 9566 B14R1.221 ClCCCCCCCCCOC1CC1 34a_100009868337_100000211595 [0,0,0,1,0,0|2,0,1]=4 9567 B14R1.221 ClCCCCCCCCOCC1CC1 34a_100000033203_100000742324 [0,0,0,1,0,0|2,0,1]=4 9568 B14R1.221 ClCCCCCCCCOCC1CC1 7a_100000033203_100000742324 [0,0,0,1,0,0|2,0,1]=4 9569 B14R1.221 N#CCCCCCCOCCC1CC1 7a_100000754188_100009813337 [0,0,0,1,0,0|2,0,1]=4 9570 B14R1.221 N#CCCCCCCSCCC1CC1 62a_100000764125_100009813337 [0,0,0,1,0,0|2,0,1]=4 9571 B14R1.221 N#CCCCCCCSCCC1CC1 62a_100009813337_100000764125 [0,0,0,1,0,0|2,0,1]=4 9572 B14R1.221 NCCCCCCCCCOC1CC1 34a_100000078944_100000211595 [0,0,0,1,0,0|2,0,1]=4 9573 B14R1.221 NCCCCCCCCOCC1CC1 34a_102515433106_100000742324 [0,0,0,1,0,0|2,0,1]=4 9574 B14R1.221 NCCCCCCCOCCC1CC1 34a_100011996573_100000694398 [0,0,0,1,0,0|2,0,1]=4 9575 B14R1.221 O=CCCCCCOCC#CC1CC1 7a_100000083941_100000139337 [0,0,0,1,0,0|1,0,2]=4 9576 B14R1.221 O=CCCCCCSCC#CC1CC1 62a_100000139337_100009895102 [0,0,0,1,0,0|1,0,2]=4 9577 B14R1.221 O=CCCCCCSCC#CC1CC1 62a_100009895102_100000139337 [0,0,0,1,0,0|1,0,2]=4 9578 B14R1.221 O=CCCCCCSCCCC1CO1 62a_100000139337_100000733510 [0,0,0,1,0,0|2,0,0]=3 9579 B14R1.221 O=CCCCCCSCCCC1CO1 62a_100000733510_100000139337 [0,0,0,1,0,0|2,0,0]=3 9580 B14R1.221 OCCCCCCCCCNC1CC1 34a_100000078944_100000211595 [0,0,0,1,0,0|1,0,2]=4 9581 B14R1.221 OCCCCCCCCCNC1CC1 34a_100000212008_100009813782 [0,0,0,1,0,0|1,0,2]=4 9582 B14R1.221 OCCCCCCCCCSC1CC1 62a_100009813782_100000211595 [0,0,0,1,0,0|1,0,2]=4 9583 B14R1.221 OCCCCCCCCNCC1CC1 2230a_100000735609_100000033203 [0,0,0,1,0,0|1,0,2]=4 9584 B14R1.221 OCCCCCCCCNCC1CC1 2230a_102515433106_100000742324 [0,0,0,1,0,0|1,0,2]=4 9585 B14R1.221 OCCCCCCCCNCC1CC1 269862a_102515433106_100000741477 [0,0,0,1,0,0|1,0,2]=4 9586 B14R1.221 OCCCCCCCCNCC1CC1 34a_100000735609_100000033203 [0,0,0,1,0,0|1,0,2]=4 9587 B14R1.221 OCCCCCCCCNCC1CC1 34a_102515433106_100000742324 [0,0,0,1,0,0|1,0,2]=4 9588 B14R1.221 OCCCCCCCCOCC1CC1 34a_100000211283_100000033203 [0,0,0,1,0,0|1,0,2]=4 9589 B14R1.221 OCCCCCCCCSCC1CC1 62a_100000033203_100000742324 [0,0,0,1,0,0|1,0,2]=4 9590 B14R1.221 OCCCCCCCCSCC1CC1 62a_100000756562_100000033203 [0,0,0,1,0,0|1,0,2]=4 9591 B14R1.221 OCCCCCCCNCCC1CC1 2230a_100011996573_100000694398 [0,0,0,1,0,0|1,0,2]=4 9592 B14R1.221 OCCCCCCCNCCC1CC1 34a_100000764129_100000760002 [0,0,0,1,0,0|1,0,2]=4 9593 B14R1.221 OCCCCCCCNCCC1CC1 34a_100011996573_100000694398 [0,0,0,1,0,0|1,0,2]=4 9594 B14R1.221 OCCCCCCCOCCC1CC1 34a_100000754188_100000760002 [0,0,0,1,0,0|1,0,2]=4 9595 B14R1.221 OCCCCCCCOCCC1CC1 7a_100000754188_100000760002 [0,0,0,1,0,0|1,0,2]=4 9596 B14R1.221 OCCCCCCCSCCC1CC1 62a_100000760002_100000764125 [0,0,0,1,0,0|1,0,2]=4 9597 B14R1.221 OCCCCCCCSCCC1CC1 62a_100000764125_100000760002 [0,0,0,1,0,0|1,0,2]=4 9598 B14R1.229 C#CCCCCCCCN1CCC1C 269982a_100000755817_100153394163 [0,0,0,1,0,0|2,0,1]=4 9599 B14R1.229 C#CCCCCCCCN1CCC1C 34a_100000755817_100153394163 [0,0,0,1,0,0|2,0,1]=4 9600 B14R1.229 C#CCCCCCCOC1CCC1=O 34a_100011217361_100009892977 [0,0,0,1,0,0|1,0,2]=4 9601 B14R1.229 C#CCCCCCCOC1CCC1=O 7a_100011217361_100009892977 [0,0,0,1,0,0|1,0,2]=4 9602 B14R1.229 C#CCCCCCCSC1CCC1=O 62a_100009892977_100012276617 [0,0,0,1,0,0|1,0,2]=4 9603 B14R1.229 C#CCCCCCCSC1CCC1=O 62a_100012276617_100009892977 [0,0,0,1,0,0|1,0,2]=4 9604 B14R1.229 C#CCCCCNCCC1CCC1=O 2230a_100000706060_200016118888 [0,0,0,1,0,0|1,0,2]=4 9605 B14R1.229 C#CCCCCOCCC1CCC1=O 7a_100000766709_200016118888 [0,0,0,1,0,0|1,0,2]=4 9606 B14R1.229 C#CCCCCSCCC1CCC1=O 62a_100010269958_200016118888 [0,0,0,1,0,0|1,0,2]=4 9607 B14R1.229 C#CCCCCSCCC1CCC1=O 62a_200016118888_100010269958 [0,0,0,1,0,0|1,0,2]=4 9608 B14R1.229 C=CCCCCCCCN1CCC1C 269982a_100000755817_100012355270 [0,0,0,1,0,0|2,0,0]=3 9609 B14R1.229 C=CCCCCCCCN1CCC1C 34a_100000755817_100012355270 [0,0,0,1,0,0|2,0,0]=3 9610 B14R1.229 C=CCCCCCCOC1CCC1=O 34a_200011216477_100009892977 [0,0,0,1,0,0|1,0,2]=4 9611 B14R1.229 C=CCCCCCCOC1CCC1=O 7a_200011216477_100009892977 [0,0,0,1,0,0|1,0,2]=4 9612 B14R1.229 C=CCCCCCCSC1CCC1=O 62a_100009892977_100011215473 [0,0,0,1,0,0|1,0,2]=4 9613 B14R1.229 C=CCCCCCCSC1CCC1=O 62a_100011215473_100009892977 [0,0,0,1,0,0|1,0,2]=4 9614 B14R1.229 C=CCCCCNCCC1CCC1=O 2230a_100000703577_200016118888 [0,0,0,1,0,0|1,0,2]=4 9615 B14R1.229 C=CCCCCOCCC1CCC1=O 7a_100000766645_200016118888 [0,0,0,1,0,0|1,0,2]=4 9616 B14R1.229 C=CCCCCSCCC1CCC1=O 62a_100011215482_200016118888 [0,0,0,1,0,0|1,0,2]=4 9617 B14R1.229 C=CCCCCSCCC1CCC1=O 62a_200016118888_100011215482 [0,0,0,1,0,0|1,0,2]=4 9618 B14R1.229 CC/C=C\CCCCOC1CCC1=O 34a_100016287862_100009892977 [0,0,0,1,0,0|1,0,2]=4 9619 B14R1.229 CC/C=C\CCCCOC1CCC1=O 7a_100016287862_100009892977 [0,0,0,1,0,0|1,0,2]=4 9620 B14R1.229 CC/C=C\CCOCCC1CCC1=O 7a_100016288707_200016118888 [0,0,0,1,0,0|1,0,2]=4 9621 B14R1.229 CC/C=C\CCSCCC1CCC1=O 62a_100015370543_200016118888 [0,0,0,1,0,0|1,0,2]=4 9622 B14R1.229 CC/C=C\CCSCCC1CCC1=O 62a_200016118888_100015370543 [0,0,0,1,0,0|1,0,2]=4 9623 B14R1.229 CC1CCN1CCCCCCCCO 269982a_100000755817_100000033203 [0,0,0,1,0,0|1,0,2]=4 9624 B14R1.229 CC1CCN1CCCCCCCCO 34a_100000755817_100000033203 [0,0,0,1,0,0|1,0,2]=4 9625 B14R1.229 CCC#CCCOCCC1CCC1=O 7a_100000036655_200016118888 [0,0,0,1,0,0|1,0,2]=4 9626 B14R1.229 CCC/C=C/COCCC1CCC1=O 7a_100016278788_200016118888 [0,0,0,1,0,0|1,0,2]=4 9627 B14R1.229 CCCC#CCOCCC1CCC1=O 7a_100000034806_200016118888 [0,0,0,1,0,0|1,0,2]=4 9628 B14R1.229 CCCC/C=C\CCOC1CCC1=O 34a_200016286491_100009892977 [0,0,0,1,0,0|1,0,2]=4 9629 B14R1.229 CCCC/C=C\CCOC1CCC1=O 7a_200016286491_100009892977 [0,0,0,1,0,0|1,0,2]=4 9630 B14R1.229 CCCCC#CCCOC1CCC1=O 34a_100000037610_100009892977 [0,0,0,1,0,0|1,0,2]=4 9631 B14R1.229 CCCCC#CCCOC1CCC1=O 7a_100000037610_100009892977 [0,0,0,1,0,0|1,0,2]=4 9632 B14R1.229 CCCCC/C=C/COC1CCC1=O 34a_100016258190_100009892977 [0,0,0,1,0,0|1,0,2]=4 9633 B14R1.229 CCCCC/C=C/COC1CCC1=O 7a_100016258190_100009892977 [0,0,0,1,0,0|1,0,2]=4 9634 B14R1.229 CCCCCC#CCOC1CCC1=O 34a_200000033628_100009892977 [0,0,0,1,0,0|1,0,2]=4 9635 B14R1.229 CCCCCC#CCOC1CCC1=O 7a_200000033628_100009892977 [0,0,0,1,0,0|1,0,2]=4 9636 B14R1.229 CCCCCC#CCSC1CCC1=O 62a_100009816472_100009892977 [0,0,0,1,0,0|1,0,2]=4 9637 B14R1.229 CCCCCC#CCSC1CCC1=O 62a_100009892977_100009816472 [0,0,0,1,0,0|1,0,2]=4 9638 B14R1.229 CCCCCCCCCN1CCC1C 269982a_100000755817_100000210670 [0,0,0,1,0,0|2,0,1]=4 9639 B14R1.229 CCCCCCCCCN1CCC1C 34a_100000755817_100011214924 [0,0,0,1,0,0|2,0,1]=4 9640 B14R1.229 CCCCCCCCNC1CCC1=O 34a_100000229939_100009892977 [0,0,0,1,0,0|1,0,0]=2 9641 B14R1.229 CCCCCCCCOC1CCC1=O 34a_100000210232_100009892977 [0,0,0,1,0,0|1,0,0]=2 9642 B14R1.229 CCCCCCCCOC1CCC1=O 7a_100000210232_100009892977 [0,0,0,1,0,0|1,0,0]=2 9643 B14R1.229 CCCCCCCCSC1CCC1=O 62a_100000210759_100009892977 [0,0,0,1,0,0|1,0,0]=2 9644 B14R1.229 CCCCCCCCSC1CCC1=O 62a_100009892977_100000210317 [0,0,0,1,0,0|1,0,0]=2 9645 B14R1.229 CCCCCCNCCC1CCC1=O 2230a_100000210581_200016118888 [0,0,0,1,0,0|1,0,0]=2 9646 B14R1.229 CCCCCCOCCC1CCC1=O 7a_100000210259_200016118888 [0,0,0,1,0,0|1,0,0]=2 9647 B14R1.229 CCCCCCSCCC1CCC1=O 62a_100000210314_200016118888 [0,0,0,1,0,0|1,0,0]=2 9648 B14R1.229 CCCCCCSCCC1CCC1=O 62a_200016118888_100000210757 [0,0,0,1,0,0|1,0,0]=2 9649 B14R1.229 CCCCCNCCOC1CCC1=O 34a_100000224656_100009892977 [0,0,0,1,0,0|2,0,0]=3 9650 B14R1.229 CCCCCOCCOC1CCC1=O 34a_100011215259_100009892977 [0,0,0,1,0,0|2,0,0]=3 9651 B14R1.229 CCCCCOCCOC1CCC1=O 7a_100011215259_100009892977 [0,0,0,1,0,0|2,0,0]=3 9652 B14R1.229 CCCCOCCCNC1CCC1=O 34a_200000211371_100009892977 [0,0,0,1,0,0|2,0,0]=3 9653 B14R1.229 CCCCOCCCOC1CCC1=O 34a_200011215613_100009892977 [0,0,0,1,0,0|2,0,0]=3 9654 B14R1.229 CCCCOCCCOC1CCC1=O 7a_200011215613_100009892977 [0,0,0,1,0,0|2,0,0]=3 9655 B14R1.229 CCCCOCSCCC1CCC1=O 62a_100011995733_200016118888 [0,0,0,1,0,0|2,0,0]=3 9656 B14R1.229 CCCCOCSCCC1CCC1=O 62a_200016118888_100011995733 [0,0,0,1,0,0|2,0,0]=3 9657 B14R1.229 CCCOCCNCCC1CCC1=O 2230a_100161115042_200016118888 [0,0,0,1,0,0|2,0,0]=3 9658 B14R1.229 CCCOCCOCCC1CCC1=O 7a_100000752267_200016118888 [0,0,0,1,0,0|2,0,0]=3 9659 B14R1.229 CCCOCCSCCC1CCC1=O 62a_100011215938_200016118888 [0,0,0,1,0,0|2,0,0]=3 9660 B14R1.229 CCCOCCSCCC1CCC1=O 62a_200016118888_100011215938 [0,0,0,1,0,0|2,0,0]=3 9661 B14R1.229 CCCSCCNCCC1CCC1=O 2230a_100020603323_200016118888 [0,0,0,1,0,0|2,0,0]=3 9662 B14R1.229 CCCSCCOCCC1CCC1=O 7a_200000230433_200016118888 [0,0,0,1,0,0|2,0,0]=3 9663 B14R1.229 CCOCCCNCCC1CCC1=O 2230a_100000210961_200016118888 [0,0,0,1,0,0|2,0,0]=3 9664 B14R1.229 CCOCCCOCCC1CCC1=O 7a_100000757476_200016118888 [0,0,0,1,0,0|2,0,0]=3 9665 B14R1.229 CCOCCCSCCC1CCC1=O 62a_100012232248_200016118888 [0,0,0,1,0,0|2,0,0]=3 9666 B14R1.229 CCOCCCSCCC1CCC1=O 62a_200016118888_100012232248 [0,0,0,1,0,0|2,0,0]=3 9667 B14R1.229 CCOCCOCCNC1CCC1=O 34a_100102712874_100009892977 [0,0,0,1,0,0|3,0,0]=4 9668 B14R1.229 CCOCCOCCOC1CCC1=O 34a_100000210240_100009892977 [0,0,0,1,0,0|3,0,0]=4 9669 B14R1.229 CCOCCOCCOC1CCC1=O 7a_100000210240_100009892977 [0,0,0,1,0,0|3,0,0]=4 9670 B14R1.229 CCOCCOCCSC1CCC1=O 62a_100009892977_100011211534 [0,0,0,1,0,0|3,0,0]=4 9671 B14R1.229 CCOCCOCCSC1CCC1=O 62a_100011211534_100009892977 [0,0,0,1,0,0|3,0,0]=4 9672 B14R1.229 CCSCCCOCCC1CCC1=O 7a_100011216438_200016118888 [0,0,0,1,0,0|2,0,0]=3 9673 B14R1.229 COCCCCCCOC1CCC1=O 34a_200012092642_100009892977 [0,0,0,1,0,0|2,0,0]=3 9674 B14R1.229 COCCCCCCOC1CCC1=O 7a_200012092642_100009892977 [0,0,0,1,0,0|2,0,0]=3 9675 B14R1.229 COCCCCCCSC1CCC1=O 62a_100009892977_100011998445 [0,0,0,1,0,0|2,0,0]=3 9676 B14R1.229 COCCCCCCSC1CCC1=O 62a_100011998445_100009892977 [0,0,0,1,0,0|2,0,0]=3 9677 B14R1.229 COCCCCSCCC1CCC1=O 62a_100000730899_200016118888 [0,0,0,1,0,0|2,0,0]=3 9678 B14R1.229 COCCCCSCCC1CCC1=O 62a_200016118888_100000730899 [0,0,0,1,0,0|2,0,0]=3 9679 B14R1.229 COCCOCCCNC1CCC1=O 34a_100000206027_100009892977 [0,0,0,1,0,0|3,0,0]=4 9680 B14R1.229 COCCOCCCSC1CCC1=O 62a_100009892977_100011216529 [0,0,0,1,0,0|3,0,0]=4 9681 B14R1.229 COCCOCCCSC1CCC1=O 62a_100011216529_100009892977 [0,0,0,1,0,0|3,0,0]=4 9682 B14R1.229 COCCOCSCCC1CCC1=O 62a_100000231047_200016118888 [0,0,0,1,0,0|3,0,0]=4 9683 B14R1.229 COCCOCSCCC1CCC1=O 62a_200016118888_100000231047 [0,0,0,1,0,0|3,0,0]=4 9684 B14R1.229 CSCCCCOCCC1CCC1=O 7a_100011217163_200016118888 [0,0,0,1,0,0|2,0,0]=3 9685 B14R1.229 N#CCCCCCCSC1CCC1=O 62a_100009813337_100009892977 [0,0,0,1,0,0|2,0,1]=4 9686 B14R1.229 N#CCCCCCCSC1CCC1=O 62a_100009892977_100009813337 [0,0,0,1,0,0|2,0,1]=4 9687 B14R1.229 N#CCCCCSCCC1CCC1=O 62a_100011219923_200016118888 [0,0,0,1,0,0|2,0,1]=4 9688 B14R1.229 N#CCCCCSCCC1CCC1=O 62a_200016118888_100000211819 [0,0,0,1,0,0|2,0,1]=4 9689 B14R1.229 NCCCCCCCOC1CCC1=O 34a_100011996573_100009892977 [0,0,0,1,0,0|2,0,0]=3 9690 B14R1.229 NCCCOCCCOC1CCC1=O 34a_100011310245_100009892977 [0,0,0,1,0,0|3,0,0]=4 9691 B14R1.229 O=C1CCC1CCNCCCCCO 2230a_100000762737_200016118888 [0,0,0,1,0,0|2,0,0]=3 9692 B14R1.229 O=C1CCC1CCNCCOCCO 2230a_100000211614_200016118888 [0,0,0,1,0,0|3,0,0]=4 9693 B14R1.229 O=C1CCC1CCNCCSCCO 2230a_100011219999_200016118888 [0,0,0,1,0,0|3,0,0]=4 9694 B14R1.229 O=C1CCC1CCOCCCCCBr 7a_100000746331_200016118888 [0,0,0,1,0,0|2,0,0]=3 9695 B14R1.229 O=C1CCC1CCOCCCCCCl 7a_100000746330_200016118888 [0,0,0,1,0,0|2,0,0]=3 9696 B14R1.229 O=C1CCC1CCOCCCCCI 7a_200012148887_200016118888 [0,0,0,1,0,0|2,0,0]=3 9697 B14R1.229 O=C1CCC1CCOCCOCCBr 7a_100000692535_200016118888 [0,0,0,1,0,0|3,0,0]=4 9698 B14R1.229 O=C1CCC1CCOCCOCCCl 7a_100011215305_200016118888 [0,0,0,1,0,0|3,0,0]=4 9699 B14R1.229 O=C1CCC1CCOCCOCCF 7a_200015357709_200016118888 [0,0,0,1,0,0|3,0,0]=4 9700 B14R1.229 O=C1CCC1CCOCCOCCI 7a_100012149058_200016118888 [0,0,0,1,0,0|3,0,0]=4 9701 B14R1.229 O=C1CCC1CCSCCCCCF 62a_100000729378_200016118888 [0,0,0,1,0,0|2,0,0]=3 9702 B14R1.229 O=C1CCC1CCSCCCCCF 62a_200016118888_100000729378 [0,0,0,1,0,0|2,0,0]=3 9703 B14R1.229 O=C1CCC1CCSCCCCCO 62a_100000746330_200016118888 [0,0,0,1,0,0|2,0,0]=3 9704 B14R1.229 O=C1CCC1CCSCCCCCO 62a_200016118888_100000746330 [0,0,0,1,0,0|2,0,0]=3 9705 B14R1.229 O=C1CCC1CCSCCOCCO 62a_100011215305_200016118888 [0,0,0,1,0,0|3,0,0]=4 9706 B14R1.229 O=C1CCC1CCSCCOCCO 62a_200016118888_100011215305 [0,0,0,1,0,0|3,0,0]=4 9707 B14R1.229 O=C1CCC1NCCCCCCCO 34a_100011996573_100009892977 [0,0,0,1,0,0|2,0,0]=3 9708 B14R1.229 O=C1CCC1NCCCOCCCO 34a_100011310245_100009892977 [0,0,0,1,0,0|3,0,0]=4 9709 B14R1.229 O=C1CCC1OCCCCCCCBr 34a_100000760002_100009892977 [0,0,0,1,0,0|2,0,0]=3 9710 B14R1.229 O=C1CCC1OCCCCCCCBr 7a_100000760002_100009892977 [0,0,0,1,0,0|2,0,0]=3 9711 B14R1.229 O=C1CCC1SCCCCCCCO 62a_100000760002_100009892977 [0,0,0,1,0,0|2,0,0]=3 9712 B14R1.229 O=C1CCC1SCCCCCCCO 62a_100009892977_100000760002 [0,0,0,1,0,0|2,0,0]=3 9713 B14R1.229 O=CCCCCSCCC1CCC1=O 62a_100000139335_200016118888 [0,0,0,1,0,0|2,0,1]=4 9714 B14R1.229 O=CCCCCSCCC1CCC1=O 62a_200016118888_100000139335 [0,0,0,1,0,0|2,0,1]=4 9715 B14R1.234 C#CCCCNC1CCCC1CCC 270004a_100000718082_100000723119 [0,0,0,1,0,0|2,0,1]=4 9716 B14R1.234 C=CCCCCN1CCC[C@H]1COC 2230a_100020646714_100011215482 [0,0,0,1,0,0|3,0,0]=4 9717 B14R1.234 C=CCCCCN1CCC[C@H]1COC 269982a_100020646714_100011215482 [0,0,0,1,0,0|3,0,0]=4 9718 B14R1.234 C=CCCCCN1CCC[C@H]1COC 34a_100020646714_100011215482 [0,0,0,1,0,0|3,0,0]=4 9719 B14R1.234 C=CCCCNC1CCCC1CCC 269862a_100000700776_100000723119 [0,0,0,1,0,0|2,0,0]=3 9720 B14R1.234 C=CCCCNC1CCCC1CCC 270004a_100000700776_100000723119 [0,0,0,1,0,0|2,0,0]=3 9721 B14R1.234 C=CCCOCC1CCCN1CCC 34a_200000694710_100000754431 [0,0,0,1,0,0|3,0,0]=4 9722 B14R1.234 C=CCCOCC1CCCN1CCC 7a_200000694710_100000754431 [0,0,0,1,0,0|3,0,0]=4 9723 B14R1.234 CCCC1CCCC1NCCCCO 269862a_100000750430_100000723119 [0,0,0,1,0,0|1,0,2]=4 9724 B14R1.234 CCCC1CCCC1NCCCCO 270004a_100000750430_100000723119 [0,0,0,1,0,0|1,0,2]=4 9725 B14R1.234 CCCC1CCCC1NCCCOC 269862a_100150723488_100000723119 [0,0,0,1,0,0|3,0,0]=4 9726 B14R1.234 CCCC1CCCC1NCCCOC 270004a_100150723488_100000723119 [0,0,0,1,0,0|3,0,0]=4 9727 B14R1.234 CCCC1CCCC1NCCCSC 269862a_100000749238_100000723119 [0,0,0,1,0,0|3,0,0]=4 9728 B14R1.234 CCCC1CCCC1NCCCSC 270004a_100000749238_100000723119 [0,0,0,1,0,0|3,0,0]=4 9729 B14R1.234 CCCCCCC1CCCC1NCC 269862a_100015525214_100000189428 [0,0,0,1,0,0|2,0,1]=4 9730 B14R1.234 CCCCCCC1CCCC1NCC 270004a_100015525214_100000189428 [0,0,0,1,0,0|2,0,1]=4 9731 B14R1.234 CCCCCCN1CCC[C@H]1COC 2230a_100020646714_100000210314 [0,0,0,1,0,0|3,0,0]=4 9732 B14R1.234 CCCCCCN1CCC[C@H]1COC 269982a_100020646714_100000210757 [0,0,0,1,0,0|3,0,0]=4 9733 B14R1.234 CCCCCCN1CCC[C@H]1COC 34a_100020646714_100000210314 [0,0,0,1,0,0|3,0,0]=4 9734 B14R1.234 CCCCCNC1CCCC1CCC 269862a_100000209983_100000723119 [0,0,0,1,0,0|2,0,1]=4 9735 B14R1.234 CCCCCNC1CCCC1CCC 270004a_100000209983_100000723119 [0,0,0,1,0,0|2,0,1]=4 9736 B14R1.234 COC[C@@H]1CCCN1CCCCC=O 2230a_100020646714_100000139335 [0,0,0,1,0,0|2,0,0]=3 9737 B14R1.234 COC[C@@H]1CCCN1CCCCC=O 269982a_100020646714_100000139335 [0,0,0,1,0,0|2,0,0]=3 9738 B14R1.476 C#CC1CCCCN1CCCCC=O 2230a_200020621307_100000139335 [0,0,0,1,0,0|1,0,2]=4 9739 B14R1.476 C#CC1CCCCN1CCCCC=O 269982a_200020621307_100000139335 [0,0,0,1,0,0|1,0,2]=4 9740 B14R1.476 C#CC1CCCCN1CCCCCC 2230a_200020621307_100000210314 [0,0,0,1,0,0|2,0,1]=4 9741 B14R1.476 C#CC1CCCCN1CCCCCC 269982a_200020621307_100000210757 [0,0,0,1,0,0|2,0,1]=4 9742 B14R1.476 C#CC1CCCCN1CCCCCC 34a_200020621307_100000210314 [0,0,0,1,0,0|2,0,1]=4 9743 B14R1.476 C#CCCCCN1CCCCC1CC 2230a_100000210034_100010269958 [0,0,0,1,0,0|2,0,1]=4 9744 B14R1.476 C#CCCCCN1CCCCC1CC 269982a_100000210034_100010269958 [0,0,0,1,0,0|2,0,1]=4 9745 B14R1.476 C#CCCCCN1CCCCC1CC 34a_100000210034_100010269958 [0,0,0,1,0,0|2,0,1]=4 9746 B14R1.476 C#CCCCNC1CCCCC1CC 270004a_100000718082_100000757040 [0,0,0,1,0,0|2,0,1]=4 9747 B14R1.476 C#CCCCOC1CCCCC1CC 34a_100000210738_100000695029 [0,0,0,1,0,0|2,0,1]=4 9748 B14R1.476 C#CCCCOC1CCCCC1CC 7a_100000210738_100011215417 [0,0,0,1,0,0|2,0,1]=4 9749 B14R1.476 C=CCCCCN1CCCCC1CC 2230a_100000210034_100011215482 [0,0,0,1,0,0|2,0,0]=3 9750 B14R1.476 C=CCCCCN1CCCCC1CC 269982a_100000210034_100011215482 [0,0,0,1,0,0|2,0,0]=3 9751 B14R1.476 C=CCCCCN1CCCCC1CC 34a_100000210034_100011215482 [0,0,0,1,0,0|2,0,0]=3 9752 B14R1.476 C=CCCCCN1CCCCC1CO 2230a_100000210821_100011215482 [0,0,0,1,0,0|3,0,0]=4 9753 B14R1.476 C=CCCCCN1CCCCC1CO 269982a_100000210821_100011215482 [0,0,0,1,0,0|3,0,0]=4 9754 B14R1.476 C=CCCCCN1CCCCC1CO 34a_100000210821_100011215482 [0,0,0,1,0,0|3,0,0]=4 9755 B14R1.476 C=CCCCCN1CCOC[C@@H]1CC 2230a_100016988097_100011215482 [0,0,0,1,0,0|3,0,0]=4 9756 B14R1.476 C=CCCCCN1CCOC[C@@H]1CC 269982a_100016988097_100011215482 [0,0,0,1,0,0|3,0,0]=4 9757 B14R1.476 C=CCCCCN1CCOC[C@@H]1CC 34a_100016988097_100011215482 [0,0,0,1,0,0|3,0,0]=4 9758 B14R1.476 C=CCCCNC1CCCCC1CC 269862a_100000700776_100000757040 [0,0,0,1,0,0|2,0,0]=3 9759 B14R1.476 C=CCCCNC1CCCCC1CC 270004a_100000700776_100000757040 [0,0,0,1,0,0|2,0,0]=3 9760 B14R1.476 C=CCCCNC1CCCCC1CO 270004a_100000700776_100009861125 [0,0,0,1,0,0|3,0,0]=4 9761 B14R1.476 C=CCCCNC1CCCCC1OC 270004a_100000700776_100000740605 [0,0,0,1,0,0|3,0,0]=4 9762 B14R1.476 C=CCCCNC1CCCCC1OC 34a_100011208099_100000757094 [0,0,0,1,0,0|3,0,0]=4 9763 B14R1.476 C=CCCCOC1CCCCC1CC 34a_100000210738_100000757094 [0,0,0,1,0,0|2,0,0]=3 9764 B14R1.476 C=CCCCOC1CCCCC1CC 7a_100000210738_100000757094 [0,0,0,1,0,0|2,0,0]=3 9765 B14R1.476 C=CCCCOC1CCCCC1CN 34a_100011216029_100000757094 [0,0,0,1,0,0|3,0,0]=4 9766 B14R1.476 C=CCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000757094 [0,0,0,1,0,0|3,0,0]=4 9767 B14R1.476 C=CCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000757094 [0,0,0,1,0,0|3,0,0]=4 9768 B14R1.476 C=CCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000757094 [0,0,0,1,0,0|3,0,0]=4 9769 B14R1.476 C=CCCNCC1CCCCN1CC 2230a_100000754393_100000754431 [0,0,0,1,0,0|3,0,0]=4 9770 B14R1.476 C=CCCNCC1CCCCN1CC 34a_100000754393_100000754431 [0,0,0,1,0,0|3,0,0]=4 9771 B14R1.476 C=CCCOCC1CCCCN1CC 34a_100000225091_100000754431 [0,0,0,1,0,0|3,0,0]=4 9772 B14R1.476 C=CCCOCC1CCCCN1CC 7a_100000225091_100000754431 [0,0,0,1,0,0|3,0,0]=4 9773 B14R1.476 C=CCNCCN1CCCCC1CC 2230a_100000755458_100000210623 [0,0,0,1,0,0|3,0,0]=4 9774 B14R1.476 C=CCNCCN1CCCCC1CC 34a_100000755458_100015514636 [0,0,0,1,0,0|3,0,0]=4 9775 B14R1.476 C=COCCOC1CCCCC1CC 34a_100000210738_100000039644 [0,0,0,1,0,0|3,0,0]=4 9776 B14R1.476 C=COCCOC1CCCCC1CC 7a_100000210738_100000039644 [0,0,0,1,0,0|3,0,0]=4 9777 B14R1.476 CCC1CCCCC1NCCCCO 269862a_100000750430_100000757040 [0,0,0,1,0,0|1,0,2]=4 9778 B14R1.476 CCC1CCCCC1NCCCCO 270004a_100000750430_100000757040 [0,0,0,1,0,0|1,0,2]=4 9779 B14R1.476 CCC1CCCCC1NCCCOC 269862a_100150723488_100000757040 [0,0,0,1,0,0|3,0,0]=4 9780 B14R1.476 CCC1CCCCC1NCCCOC 270004a_100150723488_100000757040 [0,0,0,1,0,0|3,0,0]=4 9781 B14R1.476 CCC1CCCCC1NCCCSC 269862a_100000749238_100000757040 [0,0,0,1,0,0|3,0,0]=4 9782 B14R1.476 CCC1CCCCC1NCCCSC 270004a_100000749238_100000757040 [0,0,0,1,0,0|3,0,0]=4 9783 B14R1.476 CCC1CCCCC1OCCCC#N 7a_100000210738_100000687738 [0,0,0,1,0,0|2,0,1]=4 9784 B14R1.476 CCC1CCCCC1OCCCC=O 7a_100000210738_200011292268 [0,0,0,1,0,0|1,0,0]=2 9785 B14R1.476 CCC1CCCCC1OCCCCF 34a_100000210738_100000729493 [0,0,0,1,0,0|2,0,1]=4 9786 B14R1.476 CCC1CCCCC1OCCCCF 7a_100000210738_100000729493 [0,0,0,1,0,0|2,0,1]=4 9787 B14R1.476 CCC1CCCCC1OCCCCO 34a_100000210738_100011216708 [0,0,0,1,0,0|1,0,2]=4 9788 B14R1.476 CCC1CCCCC1OCCCCO 7a_100000210738_100000210776 [0,0,0,1,0,0|1,0,2]=4 9789 B14R1.476 CCC1CCCCC1OCCCOC 34a_100000210738_100000740836 [0,0,0,1,0,0|3,0,0]=4 9790 B14R1.476 CCC1CCCCC1OCCCOC 7a_100000210738_100000740836 [0,0,0,1,0,0|3,0,0]=4 9791 B14R1.476 CCC1CCCCN1CCCCC#N 2230a_100000210034_100000211819 [0,0,0,1,0,0|2,0,1]=4 9792 B14R1.476 CCC1CCCCN1CCCCC#N 269982a_100000210034_100011219923 [0,0,0,1,0,0|2,0,1]=4 9793 B14R1.476 CCC1CCCCN1CCCCC=O 2230a_100000210034_100000139335 [0,0,0,1,0,0|1,0,0]=2 9794 B14R1.476 CCC1CCCCN1CCCCC=O 269982a_100000210034_100000139335 [0,0,0,1,0,0|1,0,0]=2 9795 B14R1.476 CCC1CCCCN1CCCCCF 2230a_100000210034_100000729378 [0,0,0,1,0,0|2,0,1]=4 9796 B14R1.476 CCC1CCCCN1CCCCCF 269982a_100000210034_100000729378 [0,0,0,1,0,0|2,0,1]=4 9797 B14R1.476 CCC1CCCCN1CCCCCF 34a_100000210034_100000729378 [0,0,0,1,0,0|2,0,1]=4 9798 B14R1.476 CCC1CCCCN1CCCCCO 2230a_100000210034_100000746330 [0,0,0,1,0,0|1,0,2]=4 9799 B14R1.476 CCC1CCCCN1CCCCCO 269982a_100000210034_100000746330 [0,0,0,1,0,0|1,0,2]=4 9800 B14R1.476 CCC1CCCCN1CCCCCO 34a_100000210034_100000746330 [0,0,0,1,0,0|1,0,2]=4 9801 B14R1.476 CCC1CCCCN1CCCCOC 2230a_100000210034_100000730899 [0,0,0,1,0,0|3,0,0]=4 9802 B14R1.476 CCC1CCCCN1CCCCOC 269982a_100000210034_100000730899 [0,0,0,1,0,0|3,0,0]=4 9803 B14R1.476 CCC1CCCCN1CCCCOC 34a_100000210034_100000755781 [0,0,0,1,0,0|3,0,0]=4 9804 B14R1.476 CCC1CCCCN1CCNCC=O 2230a_100000755458_200015260668 [0,0,0,1,0,0|2,0,0]=3 9805 B14R1.476 CCC1CCCCN1CCNCC=O 34a_100000755458_200009817547 [0,0,0,1,0,0|2,0,0]=3 9806 B14R1.476 CCCCCCN1CCCCC1C#N 34a_100016989756_100000210314 [0,0,0,1,0,0|2,0,1]=4 9807 B14R1.476 CCCCCCN1CCCCC1CC 2230a_100000210034_100000210314 [0,0,0,1,0,0|2,0,1]=4 9808 B14R1.476 CCCCCCN1CCCCC1CC 269982a_100000210034_100000210757 [0,0,0,1,0,0|2,0,1]=4 9809 B14R1.476 CCCCCCN1CCCCC1CC 34a_100000210034_100000210314 [0,0,0,1,0,0|2,0,1]=4 9810 B14R1.476 CCCCCCN1CCCCC1CO 2230a_100000210821_100000210314 [0,0,0,1,0,0|1,0,2]=4 9811 B14R1.476 CCCCCCN1CCCCC1CO 269982a_100000210821_100000210757 [0,0,0,1,0,0|1,0,2]=4 9812 B14R1.476 CCCCCCN1CCCCC1CO 34a_100000210821_100000210314 [0,0,0,1,0,0|1,0,2]=4 9813 B14R1.476 CCCCCNC1CCCCC1CC 269862a_100000209983_100000757040 [0,0,0,1,0,0|2,0,1]=4 9814 B14R1.476 CCCCCNC1CCCCC1CC 270004a_100000209983_100000757040 [0,0,0,1,0,0|2,0,1]=4 9815 B14R1.476 CCCCCNC1CCCCC1CO 270004a_100000209983_100009861125 [0,0,0,1,0,0|1,0,2]=4 9816 B14R1.476 CCCCCNC1CCCCC1OC 270004a_100000209983_100000740605 [0,0,0,1,0,0|3,0,0]=4 9817 B14R1.476 CCCCCNC1CCCCC1OC 34a_100011208099_100000718602 [0,0,0,1,0,0|3,0,0]=4 9818 B14R1.476 CCCCCOC1CCCCC1CC 34a_100000210738_100000718602 [0,0,0,1,0,0|2,0,1]=4 9819 B14R1.476 CCCCCOC1CCCCC1CC 7a_100000210738_100000210326 [0,0,0,1,0,0|2,0,1]=4 9820 B14R1.476 CCCCCOC1CCCCC1CN 34a_100011216029_100000718602 [0,0,0,1,0,0|2,0,1]=4 9821 B14R1.476 CCCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000718602 [0,0,0,1,0,0|3,0,0]=4 9822 B14R1.476 CCCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000718602 [0,0,0,1,0,0|3,0,0]=4 9823 B14R1.476 CCCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210326 [0,0,0,1,0,0|3,0,0]=4 9824 B14R1.476 CC[C@H]1COCCN1CCCCC=O 2230a_100016988097_100000139335 [0,0,0,1,0,0|2,0,0]=3 9825 B14R1.476 CC[C@H]1COCCN1CCCCC=O 269982a_100016988097_100000139335 [0,0,0,1,0,0|2,0,0]=3 9826 B14R1.476 CO[C@H]1CCCC[C@@H]1OCCCC=O 7a_200009815850_200011292268 [0,0,0,1,0,0|2,0,0]=3 9827 B14R1.476 O=CCCCCN1CCCCC1CO 2230a_100000210821_100000139335 [0,0,0,1,0,0|2,0,0]=3 9828 B14R1.476 O=CCCCCN1CCCCC1CO 269982a_100000210821_100000139335 [0,0,0,1,0,0|2,0,0]=3 9829 B14R1.476 O=CCCCCN1CCOC[C@H]1CO 2230a_100000717676_100000139335 [0,0,0,1,0,0|3,0,0]=4 9830 B14R1.476 O=CCCCCN1CCOC[C@H]1CO 269982a_100000717676_100000139335 [0,0,0,1,0,0|3,0,0]=4 9831 B14R1.476 O=CCCCNC1CCOCC1CO 2230a_214813039666_200011292268 [0,0,0,1,0,0|3,0,0]=4 9832 B14R1.476 O=CCNCCN1CCCCC1CO 2230a_100011473795_200015260668 [0,0,0,1,0,0|3,0,0]=4 9833 B14R1.476 O=CCNCCN1CCCCC1CO 34a_100011473795_200009817547 [0,0,0,1,0,0|3,0,0]=4 9834 B14R1.787 C=CCCN1CCCCC1CCCO 2230a_100011934581_100000754431 [0,0,0,1,0,0|3,0,0]=4 9835 B14R1.787 C=CCCN1CCCCC1CCCO 269982a_100011934581_100000754431 [0,0,0,1,0,0|3,0,0]=4 9836 B14R1.787 C=CCCN1CCCCC1CCCO 34a_100011934581_100000754431 [0,0,0,1,0,0|3,0,0]=4 9837 B14R1.787 C=CCCN1CCCCC1CCOC 2230a_100015186528_100000754431 [0,0,0,1,0,0|3,0,0]=4 9838 B14R1.787 C=CCCN1CCCCC1CCOC 269982a_100015186528_100000754431 [0,0,0,1,0,0|3,0,0]=4 9839 B14R1.787 C=CCCN1CCCCC1CCOC 34a_100015186528_100000754431 [0,0,0,1,0,0|3,0,0]=4 9840 B14R1.787 CCCCN1CCCCC1CCCO 2230a_100011934581_100000210211 [0,0,0,1,0,0|1,0,2]=4 9841 B14R1.787 CCCCN1CCCCC1CCCO 269982a_100011934581_100000210211 [0,0,0,1,0,0|1,0,2]=4 9842 B14R1.787 CCCCN1CCCCC1CCCO 34a_100011934581_100000210210 [0,0,0,1,0,0|1,0,2]=4 9843 B14R1.787 CCCCN1CCCCC1CCOC 2230a_100015186528_100000210211 [0,0,0,1,0,0|3,0,0]=4 9844 B14R1.787 CCCCN1CCCCC1CCOC 269982a_100015186528_100000210211 [0,0,0,1,0,0|3,0,0]=4 9845 B14R1.787 CCCCN1CCCCC1CCOC 34a_100015186528_100000210210 [0,0,0,1,0,0|3,0,0]=4 9846 B14R1.787 CCCNC1CCCCC1CCC#N 270004a_100020643023_100000034616 [0,0,0,1,0,0|2,0,1]=4 9847 B14R1.845 CNC1CCCCCCCCCCC1 2230a_100011194316_200000210301 [0,0,0,1,0,0|2,0,0]=3 9848 B14R1.845 CNC1CCCCCCCCCCC1 270004a_106832991635_100000210130 [0,0,0,1,0,0|2,0,0]=3 9849 B14R1.845 CNC1CCCCCCCCCCC1 34a_100011194316_200000210301 [0,0,0,1,0,0|2,0,0]=3 9850 B14R1.845 COC1CCCCCCCCCCC1 34a_100000211378_200000210301 [0,0,0,1,0,0|2,0,0]=3 9851 B14R1.845 COC1CCCCCCCCCCC1 7a_100000211378_200000210301 [0,0,0,1,0,0|2,0,0]=3 9852 B14R1.845 [13CH3]NC1CCCCCCCCCCC1 2230a_100011194316_200025704644 [0,0,0,1,0,0|2,0,0]=3 9853 B14R1.845 [13CH3]NC1CCCCCCCCCCC1 34a_100011194316_200025704644 [0,0,0,1,0,0|2,0,0]=3 9854 B14R1.845 [13CH3]OC1CCCCCCCCCCC1 34a_100000211378_200025704644 [0,0,0,1,0,0|2,0,0]=3 9855 B14R1.845 [13CH3]OC1CCCCCCCCCCC1 7a_100000211378_200025704644 [0,0,0,1,0,0|2,0,0]=3 9856 B14R1.882 C#CCCCCCN1CCCCC1C 2230a_100000211376_100012094781 [0,0,0,1,0,0|2,0,1]=4 9857 B14R1.882 C#CCCCCCN1CCCCC1C 269982a_100000211376_100012094781 [0,0,0,1,0,0|2,0,1]=4 9858 B14R1.882 C#CCCCCCN1CCCCC1C 34a_100000211376_100012094781 [0,0,0,1,0,0|2,0,1]=4 9859 B14R1.882 C#CCCCCNC1CCCCC1=O 34a_100000706060_100000754470 [0,0,0,1,0,0|1,0,2]=4 9860 B14R1.882 C#CCCCCNC1CCCCC1C 2230a_100000211402_100010269958 [0,0,0,1,0,0|2,0,1]=4 9861 B14R1.882 C#CCCCCNC1CCCCC1C 34a_100000211402_100010269958 [0,0,0,1,0,0|2,0,1]=4 9862 B14R1.882 C#CCCCCOC1CCCCC1=O 34a_100000766709_100000754470 [0,0,0,1,0,0|1,0,2]=4 9863 B14R1.882 C#CCCCCOC1CCCCC1=O 34a_100011214950_100010269958 [0,0,0,1,0,0|1,0,2]=4 9864 B14R1.882 C#CCCCCOC1CCCCC1=O 7a_100000766709_100000204591 [0,0,0,1,0,0|1,0,2]=4 9865 B14R1.882 C#CCCCCOC1CCCCC1C 34a_100000211207_100010269958 [0,0,0,1,0,0|2,0,1]=4 9866 B14R1.882 C#CCCCCOC1CCCCC1C 7a_100000211207_100010269958 [0,0,0,1,0,0|2,0,1]=4 9867 B14R1.882 C#CCCCCSC1CCCCC1=O 62a_100000204591_100010269958 [0,0,0,1,0,0|1,0,2]=4 9868 B14R1.882 C#CCCCCSC1CCCCC1=O 62a_100010269958_100000204591 [0,0,0,1,0,0|1,0,2]=4 9869 B14R1.882 C#CCCCOCC1CCCCC1=O 34a_100009861125_100000695029 [0,0,0,1,0,0|1,0,2]=4 9870 B14R1.882 C#CCCCOCC1CCCCC1=O 7a_100009861125_100011215417 [0,0,0,1,0,0|1,0,2]=4 9871 B14R1.882 C=CCCCCCN1CCCCC1C 2230a_100000211376_100000700193 [0,0,0,1,0,0|2,0,0]=3 9872 B14R1.882 C=CCCCCCN1CCCCC1C 269982a_100000211376_100000700193 [0,0,0,1,0,0|2,0,0]=3 9873 B14R1.882 C=CCCCCCN1CCCCC1C 34a_100000211376_100000700193 [0,0,0,1,0,0|2,0,0]=3 9874 B14R1.882 C=CCCCCCN1CCOC[C@@H]1C 2230a_100009815349_100000700193 [0,0,0,1,0,0|3,0,0]=4 9875 B14R1.882 C=CCCCCCN1CCOC[C@@H]1C 269982a_100009815349_100000700193 [0,0,0,1,0,0|3,0,0]=4 9876 B14R1.882 C=CCCCCCN1CCOC[C@@H]1C 34a_100009815349_100000700193 [0,0,0,1,0,0|3,0,0]=4 9877 B14R1.882 C=CCCCCNC1CCCCC1=O 34a_100000703577_100000754470 [0,0,0,1,0,0|1,0,2]=4 9878 B14R1.882 C=CCCCCNC1CCCCC1C 2230a_100000211402_100011215482 [0,0,0,1,0,0|2,0,0]=3 9879 B14R1.882 C=CCCCCNC1CCCCC1C 269862a_100000703577_100000210921 [0,0,0,1,0,0|2,0,0]=3 9880 B14R1.882 C=CCCCCNC1CCCCC1C 270004a_100000703577_100000210921 [0,0,0,1,0,0|2,0,0]=3 9881 B14R1.882 C=CCCCCNC1CCCCC1C 34a_100000211402_100011215482 [0,0,0,1,0,0|2,0,0]=3 9882 B14R1.882 C=CCCCCNC1CCCCC1F 34a_100000703577_100015423560 [0,0,0,1,0,0|3,0,0]=4 9883 B14R1.882 C=CCCCCNC1CCCCC1O 34a_100000703577_100000038908 [0,0,0,1,0,0|3,0,0]=4 9884 B14R1.882 C=CCCCCNC1CCNCC1C 270004a_100000703577_100000703950 [0,0,0,1,0,0|3,0,0]=4 9885 B14R1.882 C=CCCCCNC1CCOCC1C 270004a_100000703577_100000755695 [0,0,0,1,0,0|3,0,0]=4 9886 B14R1.882 C=CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011215482 [0,0,0,1,0,0|3,0,0]=4 9887 B14R1.882 C=CCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011215482 [0,0,0,1,0,0|3,0,0]=4 9888 B14R1.882 C=CCCCCOC1CCCCC1=O 34a_100000766645_100000754470 [0,0,0,1,0,0|1,0,2]=4 9889 B14R1.882 C=CCCCCOC1CCCCC1=O 34a_100011214950_100011215482 [0,0,0,1,0,0|1,0,2]=4 9890 B14R1.882 C=CCCCCOC1CCCCC1=O 7a_100000766645_100000204591 [0,0,0,1,0,0|1,0,2]=4 9891 B14R1.882 C=CCCCCOC1CCCCC1C 34a_100000211207_100011215482 [0,0,0,1,0,0|2,0,0]=3 9892 B14R1.882 C=CCCCCOC1CCCCC1C 7a_100000211207_100011215482 [0,0,0,1,0,0|2,0,0]=3 9893 B14R1.882 C=CCCCCOC1CCCCC1Cl 34a_100000038908_100011215482 [0,0,0,1,0,0|3,0,0]=4 9894 B14R1.882 C=CCCCCOC1CCCCC1Cl 7a_100000038908_100011215482 [0,0,0,1,0,0|3,0,0]=4 9895 B14R1.882 C=CCCCCOC1CCCCC1F 34a_100000766645_100015423560 [0,0,0,1,0,0|3,0,0]=4 9896 B14R1.882 C=CCCCCOC1CCCCC1O 34a_100000766645_100000038908 [0,0,0,1,0,0|3,0,0]=4 9897 B14R1.882 C=CCCCCOC1CCNCC1C 34a_100011998114_100011215482 [0,0,0,1,0,0|3,0,0]=4 9898 B14R1.882 C=CCCCCOC1CNCCC1C 34a_100000696640_100011215482 [0,0,0,1,0,0|3,0,0]=4 9899 B14R1.882 C=CCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011215482 [0,0,0,1,0,0|3,0,0]=4 9900 B14R1.882 C=CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215482 [0,0,0,1,0,0|3,0,0]=4 9901 B14R1.882 C=CCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100011215482 [0,0,0,1,0,0|3,0,0]=4 9902 B14R1.882 C=CCCCCSC1CCCCC1=O 62a_100000204591_100011215482 [0,0,0,1,0,0|1,0,2]=4 9903 B14R1.882 C=CCCCCSC1CCCCC1=O 62a_100011215482_100000204591 [0,0,0,1,0,0|1,0,2]=4 9904 B14R1.882 C=CCCCCSC1CCCCC1F 62a_100011215482_100015423560 [0,0,0,1,0,0|3,0,0]=4 9905 B14R1.882 C=CCCCCSC1CCCCC1F 62a_100015423560_100011215482 [0,0,0,1,0,0|3,0,0]=4 9906 B14R1.882 C=CCCCCSC1CCCCC1O 62a_100000038908_100011215482 [0,0,0,1,0,0|3,0,0]=4 9907 B14R1.882 C=CCCCCSC1CCCCC1O 62a_100011215482_100000038908 [0,0,0,1,0,0|3,0,0]=4 9908 B14R1.882 C=CCCCNCC1CCCCC1O 34a_100011216029_100000757094 [0,0,0,1,0,0|3,0,0]=4 9909 B14R1.882 C=CCCCNCC1CCCCN1C 34a_100000700776_100015186950 [0,0,0,1,0,0|3,0,0]=4 9910 B14R1.882 C=CCCCNCC1CCCCN1C 34a_100011228421_100000757094 [0,0,0,1,0,0|3,0,0]=4 9911 B14R1.882 C=CCCCOCC1CCCCC1=O 34a_100009861125_100000757094 [0,0,0,1,0,0|1,0,2]=4 9912 B14R1.882 C=CCCCOCC1CCCCC1=O 7a_100009861125_100000757094 [0,0,0,1,0,0|1,0,2]=4 9913 B14R1.882 C=CCCCOCC1CCCCN1C 34a_100000225079_100000757094 [0,0,0,1,0,0|3,0,0]=4 9914 B14R1.882 C=CCCCOCC1CCCCN1C 34a_100000758997_100015186950 [0,0,0,1,0,0|3,0,0]=4 9915 B14R1.882 C=CCCCOCC1CCCCN1C 7a_100000758997_100015185383 [0,0,0,1,0,0|3,0,0]=4 9916 B14R1.882 C=CCCCSCC1CCCCN1C 62a_100011713584_100015185383 [0,0,0,1,0,0|3,0,0]=4 9917 B14R1.882 C=CCCCSCC1CCCCN1C 62a_100015185383_100000757094 [0,0,0,1,0,0|3,0,0]=4 9918 B14R1.882 C=CCCNCCC1CCCCN1C 2230a_100015191253_100000211948 [0,0,0,1,0,0|3,0,0]=4 9919 B14R1.882 C=CCCNCCN1CCCCC1C 2230a_100000739827_100000754431 [0,0,0,1,0,0|3,0,0]=4 9920 B14R1.882 C=CCCNCCN1CCCCC1C 34a_100000739827_100000754431 [0,0,0,1,0,0|3,0,0]=4 9921 B14R1.882 C=CCCOCCC1CCCCN1C 34a_100011205117_100000211948 [0,0,0,1,0,0|3,0,0]=4 9922 B14R1.882 C=CCCOCCN1CCCCC1C 34a_100011305533_100000754431 [0,0,0,1,0,0|3,0,0]=4 9923 B14R1.882 C=CCCSCCC1CCCCN1C 62a_100000211948_100000754431 [0,0,0,1,0,0|3,0,0]=4 9924 B14R1.882 C=CCCSCCC1CCCCN1C 62a_100000754431_100000211948 [0,0,0,1,0,0|3,0,0]=4 9925 B14R1.882 C=CCNCCCN1CCCCC1C 34a_100000212276_100015514636 [0,0,0,1,0,0|3,0,0]=4 9926 B14R1.882 C=CCOCCCN1CCCCC1C 34a_100000213889_100015514636 [0,0,0,1,0,0|3,0,0]=4 9927 B14R1.882 C=CCOCCCN1CCCCC1C 7a_100000213889_100015514636 [0,0,0,1,0,0|3,0,0]=4 9928 B14R1.882 C=COCCCNC1CCCCC1C 269862a_100000210767_100000210921 [0,0,0,1,0,0|3,0,0]=4 9929 B14R1.882 C=COCCCNC1CCCCC1C 270004a_100000210767_100000210921 [0,0,0,1,0,0|3,0,0]=4 9930 B14R1.882 CC/C=C\CCOC1CCCCC1=O 34a_100011214950_100015370543 [0,0,0,1,0,0|1,0,2]=4 9931 B14R1.882 CC/C=C\CCOC1CCCCC1=O 34a_100016288707_100000754470 [0,0,0,1,0,0|1,0,2]=4 9932 B14R1.882 CC/C=C\CCOC1CCCCC1=O 7a_100016288707_100000204591 [0,0,0,1,0,0|1,0,2]=4 9933 B14R1.882 CC/C=C\CCSC1CCCCC1=O 62a_100000204591_100015370543 [0,0,0,1,0,0|1,0,2]=4 9934 B14R1.882 CC/C=C\CCSC1CCCCC1=O 62a_100015370543_100000204591 [0,0,0,1,0,0|1,0,2]=4 9935 B14R1.882 CC/C=C\COCC1CCCCC1=O 34a_100009861125_100103147603 [0,0,0,1,0,0|1,0,2]=4 9936 B14R1.882 CC/C=C\COCC1CCCCC1=O 7a_100009861125_100103147603 [0,0,0,1,0,0|1,0,2]=4 9937 B14R1.882 CC1CCCCC1NCCCCC#N 2230a_100000211402_100000211819 [0,0,0,1,0,0|2,0,1]=4 9938 B14R1.882 CC1CCCCC1NCCCCC#N 270004a_100000751965_100000210921 [0,0,0,1,0,0|2,0,1]=4 9939 B14R1.882 CC1CCCCC1NCCCCC=O 2230a_100000211402_100000139335 [0,0,0,1,0,0|1,0,0]=2 9940 B14R1.882 CC1CCCCC1NCCCCCF 2230a_100000211402_100000729378 [0,0,0,1,0,0|2,0,1]=4 9941 B14R1.882 CC1CCCCC1NCCCCCF 34a_100000211402_100000729378 [0,0,0,1,0,0|2,0,1]=4 9942 B14R1.882 CC1CCCCC1NCCCCCO 2230a_100000211402_100000746330 [0,0,0,1,0,0|1,0,2]=4 9943 B14R1.882 CC1CCCCC1NCCCCCO 269862a_100000762737_100000210921 [0,0,0,1,0,0|1,0,2]=4 9944 B14R1.882 CC1CCCCC1NCCCCCO 270004a_100000762737_100000210921 [0,0,0,1,0,0|1,0,2]=4 9945 B14R1.882 CC1CCCCC1NCCCCCO 34a_100000211402_100000746330 [0,0,0,1,0,0|1,0,2]=4 9946 B14R1.882 CC1CCCCC1OCCCCC#N 7a_100000211207_100000211819 [0,0,0,1,0,0|2,0,1]=4 9947 B14R1.882 CC1CCCCC1OCCCCC=O 7a_100000211207_100000139335 [0,0,0,1,0,0|1,0,0]=2 9948 B14R1.882 CC1CCCCC1OCCCCCF 34a_100000211207_100000729378 [0,0,0,1,0,0|2,0,1]=4 9949 B14R1.882 CC1CCCCC1OCCCCCF 7a_100000211207_100000729378 [0,0,0,1,0,0|2,0,1]=4 9950 B14R1.882 CC1CCCCC1OCCCCCO 34a_100000211207_100000746330 [0,0,0,1,0,0|1,0,2]=4 9951 B14R1.882 CC1CCCCC1OCCCCCO 7a_100000211207_100000746330 [0,0,0,1,0,0|1,0,2]=4 9952 B14R1.882 CC1CCCCN1CCCCCC#N 2230a_100000211376_100009813376 [0,0,0,1,0,0|2,0,1]=4 9953 B14R1.882 CC1CCCCN1CCCCCC#N 269982a_100000211376_100009813376 [0,0,0,1,0,0|2,0,1]=4 9954 B14R1.882 CC1CCCCN1CCCCCC=O 2230a_100000211376_100000139337 [0,0,0,1,0,0|1,0,0]=2 9955 B14R1.882 CC1CCCCN1CCCCCC=O 269982a_100000211376_100000139337 [0,0,0,1,0,0|1,0,0]=2 9956 B14R1.882 CC1CCCCN1CCCCCCF 2230a_100000211376_100015922095 [0,0,0,1,0,0|2,0,1]=4 9957 B14R1.882 CC1CCCCN1CCCCCCF 269982a_100000211376_100015922095 [0,0,0,1,0,0|2,0,1]=4 9958 B14R1.882 CC1CCCCN1CCCCCCF 34a_100000211376_100015922095 [0,0,0,1,0,0|2,0,1]=4 9959 B14R1.882 CC1CCCCN1CCCCCCO 2230a_100000211376_100000766143 [0,0,0,1,0,0|1,0,2]=4 9960 B14R1.882 CC1CCCCN1CCCCCCO 269982a_100000211376_100000766143 [0,0,0,1,0,0|1,0,2]=4 9961 B14R1.882 CC1CCCCN1CCCCCCO 34a_100000211376_100000766143 [0,0,0,1,0,0|1,0,2]=4 9962 B14R1.882 CC1CCCCN1CCCNCC=O 34a_100000212276_200009817547 [0,0,0,1,0,0|2,0,0]=3 9963 B14R1.882 CC1CCCCN1CCCOCC=O 34a_100000213889_200009817547 [0,0,0,1,0,0|2,0,0]=3 9964 B14R1.882 CC1CCCCN1CCCOCC=O 7a_100000213889_200015260668 [0,0,0,1,0,0|2,0,0]=3 9965 B14R1.882 CC=CCCCOC1CCCCC1=O 34a_100020645299_100000754470 [0,0,0,1,0,0|1,0,2]=4 9966 B14R1.882 CCC#CCCOC1CCCCC1=O 34a_100000036655_100000754470 [0,0,0,1,0,0|1,0,2]=4 9967 B14R1.882 CCC#CCCOC1CCCCC1=O 7a_100000036655_100000204591 [0,0,0,1,0,0|1,0,2]=4 9968 B14R1.882 CCC#CCOCC1CCCCC1=O 34a_100009861125_100009813939 [0,0,0,1,0,0|1,0,2]=4 9969 B14R1.882 CCC#CCOCC1CCCCC1=O 7a_100009861125_100009813939 [0,0,0,1,0,0|1,0,2]=4 9970 B14R1.882 CCC/C=C/COC1CCCCC1=O 34a_100016278788_100000754470 [0,0,0,1,0,0|1,0,2]=4 9971 B14R1.882 CCC/C=C/COC1CCCCC1=O 7a_100016278788_100000204591 [0,0,0,1,0,0|1,0,2]=4 9972 B14R1.882 CCCC#CCOC1CCCCC1=O 34a_100000034806_100000754470 [0,0,0,1,0,0|1,0,2]=4 9973 B14R1.882 CCCC#CCOC1CCCCC1=O 7a_100000034806_100000204591 [0,0,0,1,0,0|1,0,2]=4 9974 B14R1.882 CCCCCCCN1CCCCC1C 2230a_100000211376_100000210681 [0,0,0,1,0,0|2,0,1]=4 9975 B14R1.882 CCCCCCCN1CCCCC1C 269982a_100000211376_100000210681 [0,0,0,1,0,0|2,0,1]=4 9976 B14R1.882 CCCCCCCN1CCCCC1C 34a_100000211376_100000210614 [0,0,0,1,0,0|2,0,1]=4 9977 B14R1.882 CCCCCCNC1CCCCC1C 2230a_100000211402_100000210314 [0,0,0,1,0,0|2,0,1]=4 9978 B14R1.882 CCCCCCNC1CCCCC1C 269862a_100000210581_100000210921 [0,0,0,1,0,0|2,0,1]=4 9979 B14R1.882 CCCCCCNC1CCCCC1C 270004a_100000210581_100000210921 [0,0,0,1,0,0|2,0,1]=4 9980 B14R1.882 CCCCCCNC1CCCCC1C 34a_100000211402_100000210314 [0,0,0,1,0,0|2,0,1]=4 9981 B14R1.882 CCCCCCNC1CCCNC1=O 2230a_100000210581_100000687798 [0,0,0,1,0,0|2,0,0]=3 9982 B14R1.882 CCCCCCNC1CCCNC1=O 2230a_100000747585_100000210314 [0,0,0,1,0,0|2,0,0]=3 9983 B14R1.882 CCCCCCNC1CCCNC1=O 34a_100000747585_100000210314 [0,0,0,1,0,0|2,0,0]=3 9984 B14R1.882 CCCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210314 [0,0,0,1,0,0|2,0,1]=4 9985 B14R1.882 CCCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210314 [0,0,0,1,0,0|2,0,1]=4 9986 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100000210259_100000754470 [0,0,0,1,0,0|1,0,0]=2 9987 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100011214950_100000210314 [0,0,0,1,0,0|1,0,0]=2 9988 B14R1.882 CCCCCCOC1CCCCC1=O 7a_100000210259_100000204591 [0,0,0,1,0,0|1,0,0]=2 9989 B14R1.882 CCCCCCOC1CCCCC1C 34a_100000211207_100000210314 [0,0,0,1,0,0|2,0,1]=4 9990 B14R1.882 CCCCCCOC1CCCCC1C 7a_100000211207_100000210314 [0,0,0,1,0,0|2,0,1]=4 9991 B14R1.882 CCCCCCOC1CCCCC1Cl 34a_100000038908_100000210314 [0,0,0,1,0,0|2,0,1]=4 9992 B14R1.882 CCCCCCOC1CCCCC1Cl 7a_100000038908_100000210314 [0,0,0,1,0,0|2,0,1]=4 9993 B14R1.882 CCCCCCOC1CCCCC1F 34a_100000210259_100015423560 [0,0,0,1,0,0|2,0,1]=4 9994 B14R1.882 CCCCCCOC1CCCCC1O 34a_100000210259_100000038908 [0,0,0,1,0,0|1,0,2]=4 9995 B14R1.882 CCCCCCOC1CCCNC1=O 34a_100000073722_100000210314 [0,0,0,1,0,0|2,0,0]=3 9996 B14R1.882 CCCCCCOC1CCCNC1=O 34a_100000210259_100000687798 [0,0,0,1,0,0|2,0,0]=3 9997 B14R1.882 CCCCCCOC1CCCNC1=O 7a_100000210259_100000687798 [0,0,0,1,0,0|2,0,0]=3 9998 B14R1.882 CCCCCCOC1COCCC1=O 34a_100000210259_100012180262 [0,0,0,1,0,0|2,0,0]=3 9999 B14R1.882 CCCCCCOC1COCCC1=O 7a_100000210259_100012180262 [0,0,0,1,0,0|2,0,0]=3 10000 B14R1.882 CCCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210314 [0,0,0,1,0,0|2,0,1]=4 10001 B14R1.882 CCCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210314 [0,0,0,1,0,0|2,0,1]=4 10002 B14R1.882 CCCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210314 [0,0,0,1,0,0|2,0,1]=4 10003 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000204591_100000210757 [0,0,0,1,0,0|1,0,0]=2 10004 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000210314_100000204591 [0,0,0,1,0,0|1,0,0]=2 10005 B14R1.882 CCCCCCSC1CCCCC1F 62a_100000210314_100015423560 [0,0,0,1,0,0|2,0,1]=4 10006 B14R1.882 CCCCCCSC1CCCCC1F 62a_100015423560_100000210757 [0,0,0,1,0,0|2,0,1]=4 10007 B14R1.882 CCCCCCSC1CCCCC1O 62a_100000038908_100000210757 [0,0,0,1,0,0|1,0,2]=4 10008 B14R1.882 CCCCCCSC1CCCCC1O 62a_100000210314_100000038908 [0,0,0,1,0,0|1,0,2]=4 10009 B14R1.882 CCCCCCSC1CCCNC1=O 62a_100000210314_100000687798 [0,0,0,1,0,0|2,0,0]=3 10010 B14R1.882 CCCCCCSC1CCCNC1=O 62a_100000687798_100000210757 [0,0,0,1,0,0|2,0,0]=3 10011 B14R1.882 CCCCCCSC1COCCC1=O 62a_100000210314_100012180262 [0,0,0,1,0,0|2,0,0]=3 10012 B14R1.882 CCCCCCSC1COCCC1=O 62a_100012180262_100000210757 [0,0,0,1,0,0|2,0,0]=3 10013 B14R1.882 CCCCCNCC1CCCCC1O 34a_100011216029_100000718602 [0,0,0,1,0,0|1,0,2]=4 10014 B14R1.882 CCCCCNCC1CCCCN1C 34a_100011228421_100000718602 [0,0,0,1,0,0|3,0,0]=4 10015 B14R1.882 CCCCCOCC1CCCCC1=O 34a_100009861125_100000718602 [0,0,0,1,0,0|1,0,0]=2 10016 B14R1.882 CCCCCOCC1CCCCC1=O 7a_100009861125_100000210326 [0,0,0,1,0,0|1,0,0]=2 10017 B14R1.882 CCCCCOCC1CCCCN1C 34a_100000210253_100015186950 [0,0,0,1,0,0|3,0,0]=4 10018 B14R1.882 CCCCCOCC1CCCCN1C 34a_100000225079_100000718602 [0,0,0,1,0,0|3,0,0]=4 10019 B14R1.882 CCCCCOCC1CCCCN1C 7a_100000210253_100015185383 [0,0,0,1,0,0|3,0,0]=4 10020 B14R1.882 CCCCCSCC1CCCCN1C 62a_100000210326_100015185383 [0,0,0,1,0,0|3,0,0]=4 10021 B14R1.882 CCCCCSCC1CCCCN1C 62a_100015185383_100000210326 [0,0,0,1,0,0|3,0,0]=4 10022 B14R1.882 CCCCNCCC1CCCCN1C 2230a_100000102301_100000211948 [0,0,0,1,0,0|3,0,0]=4 10023 B14R1.882 CCCCNCCC1CCCCN1C 7a_106832991798_100000211948 [0,0,0,1,0,0|3,0,0]=4 10024 B14R1.882 CCCCNCCN1CCCCC1=O 2230a_100160573077_100000210211 [0,0,0,1,0,0|2,0,0]=3 10025 B14R1.882 CCCCNCCN1CCCCC1=O 34a_100160573077_100000210210 [0,0,0,1,0,0|2,0,0]=3 10026 B14R1.882 CCCCOCCC1CCCCN1C 34a_100000210227_100000211948 [0,0,0,1,0,0|3,0,0]=4 10027 B14R1.882 CCCCOCCC1CCCCN1C 7a_100000210227_100000211948 [0,0,0,1,0,0|3,0,0]=4 10028 B14R1.882 CCCCOCCC1NCCNC1=O 34a_100000044719_100000210210 [0,0,0,1,0,0|3,0,0]=4 10029 B14R1.882 CCCCOCNC1CCCNC1=O 2230a_100000747585_100011995733 [0,0,0,1,0,0|3,0,0]=4 10030 B14R1.882 CCCCOCNC1CCCNC1=O 34a_100000747585_100011995733 [0,0,0,1,0,0|3,0,0]=4 10031 B14R1.882 CCCCOCOC1CCCCC1=O 34a_100011214950_100011995733 [0,0,0,1,0,0|2,0,0]=3 10032 B14R1.882 CCCCOCOC1CCCNC1=O 34a_100000073722_100011995733 [0,0,0,1,0,0|3,0,0]=4 10033 B14R1.882 CCCCOCSC1CCCCC1=O 62a_100000204591_100011995733 [0,0,0,1,0,0|2,0,0]=3 10034 B14R1.882 CCCCOCSC1CCCCC1=O 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62a_100000687798_100011215938 [0,0,0,1,0,0|3,0,0]=4 10058 B14R1.882 CCCOCCSC1CCCNC1=O 62a_100011215938_100000687798 [0,0,0,1,0,0|3,0,0]=4 10059 B14R1.882 CCCOCCSC1COCCC1=O 62a_100011215938_100012180262 [0,0,0,1,0,0|3,0,0]=4 10060 B14R1.882 CCCOCCSC1COCCC1=O 62a_100012180262_100011215938 [0,0,0,1,0,0|3,0,0]=4 10061 B14R1.882 CCCSCCNC1CCCNC1=O 2230a_100020603323_100000687798 [0,0,0,1,0,0|3,0,0]=4 10062 B14R1.882 CCCSCCOC1CCCCC1=O 34a_200000230433_100000754470 [0,0,0,1,0,0|2,0,0]=3 10063 B14R1.882 CCCSCCOC1CCCCC1=O 7a_200000230433_100000204591 [0,0,0,1,0,0|2,0,0]=3 10064 B14R1.882 CCCSCCOC1CCCNC1=O 34a_200000230433_100000687798 [0,0,0,1,0,0|3,0,0]=4 10065 B14R1.882 CCCSCCOC1CCCNC1=O 7a_200000230433_100000687798 [0,0,0,1,0,0|3,0,0]=4 10066 B14R1.882 CCCSCCOC1COCCC1=O 34a_200000230433_100012180262 [0,0,0,1,0,0|3,0,0]=4 10067 B14R1.882 CCCSCCOC1COCCC1=O 7a_200000230433_100012180262 [0,0,0,1,0,0|3,0,0]=4 10068 B14R1.882 CCOCCCNC1CCCCC1=O 34a_100000210961_100000754470 [0,0,0,1,0,0|2,0,0]=3 10069 B14R1.882 CCOCCCNC1CCCNC1=O 2230a_100000210961_100000687798 [0,0,0,1,0,0|3,0,0]=4 10070 B14R1.882 CCOCCCNC1CCCNC1=O 2230a_100000747585_100012232248 [0,0,0,1,0,0|3,0,0]=4 10071 B14R1.882 CCOCCCNC1CCCNC1=O 34a_100000210961_100000687798 [0,0,0,1,0,0|3,0,0]=4 10072 B14R1.882 CCOCCCNC1CCCNC1=O 34a_100000747585_100012232248 [0,0,0,1,0,0|3,0,0]=4 10073 B14R1.882 CCOCCCNC1COCCC1=O 34a_100000210961_100012180262 [0,0,0,1,0,0|3,0,0]=4 10074 B14R1.882 CCOCCCOC1CCCCC1=O 34a_100000757476_100000754470 [0,0,0,1,0,0|2,0,0]=3 10075 B14R1.882 CCOCCCOC1CCCCC1=O 34a_100011214950_100012232248 [0,0,0,1,0,0|2,0,0]=3 10076 B14R1.882 CCOCCCOC1CCCCC1=O 7a_100000757476_100000204591 [0,0,0,1,0,0|2,0,0]=3 10077 B14R1.882 CCOCCCOC1CCCNC1=O 34a_100000073722_100012232248 [0,0,0,1,0,0|3,0,0]=4 10078 B14R1.882 CCOCCCOC1CCCNC1=O 34a_100000757476_100000687798 [0,0,0,1,0,0|3,0,0]=4 10079 B14R1.882 CCOCCCOC1CCCNC1=O 7a_100000757476_100000687798 [0,0,0,1,0,0|3,0,0]=4 10080 B14R1.882 CCOCCCOC1COCCC1=O 34a_100000757476_100012180262 [0,0,0,1,0,0|3,0,0]=4 10081 B14R1.882 CCOCCCOC1COCCC1=O 7a_100000757476_100012180262 [0,0,0,1,0,0|3,0,0]=4 10082 B14R1.882 CCOCCCSC1CCCCC1=O 62a_100000204591_100012232248 [0,0,0,1,0,0|2,0,0]=3 10083 B14R1.882 CCOCCCSC1CCCCC1=O 62a_100012232248_100000204591 [0,0,0,1,0,0|2,0,0]=3 10084 B14R1.882 CCOCCCSC1CCCNC1=O 62a_100000687798_100012232248 [0,0,0,1,0,0|3,0,0]=4 10085 B14R1.882 CCOCCCSC1CCCNC1=O 62a_100012232248_100000687798 [0,0,0,1,0,0|3,0,0]=4 10086 B14R1.882 CCOCCCSC1COCCC1=O 62a_100012180262_100012232248 [0,0,0,1,0,0|3,0,0]=4 10087 B14R1.882 CCOCCCSC1COCCC1=O 62a_100012232248_100012180262 [0,0,0,1,0,0|3,0,0]=4 10088 B14R1.882 CCOCCOCC1CCCCC1=O 34a_100009861125_100000210147 [0,0,0,1,0,0|2,0,0]=3 10089 B14R1.882 CCOCCOCC1CCCCC1=O 7a_100009861125_100011215890 [0,0,0,1,0,0|2,0,0]=3 10090 B14R1.882 CCSCCCOC1CCCCC1=O 34a_100011216438_100000754470 [0,0,0,1,0,0|2,0,0]=3 10091 B14R1.882 CCSCCCOC1CCCCC1=O 7a_100011216438_100000204591 [0,0,0,1,0,0|2,0,0]=3 10092 B14R1.882 CCSCCCOC1CCCNC1=O 34a_100011216438_100000687798 [0,0,0,1,0,0|3,0,0]=4 10093 B14R1.882 CCSCCCOC1CCCNC1=O 7a_100011216438_100000687798 [0,0,0,1,0,0|3,0,0]=4 10094 B14R1.882 CCSCCCOC1COCCC1=O 34a_100011216438_100012180262 [0,0,0,1,0,0|3,0,0]=4 10095 B14R1.882 CCSCCCOC1COCCC1=O 7a_100011216438_100012180262 [0,0,0,1,0,0|3,0,0]=4 10096 B14R1.882 CCSCCOCC1CCCCC1=O 34a_100009861125_100000757381 [0,0,0,1,0,0|2,0,0]=3 10097 B14R1.882 CCSCCOCC1CCCCC1=O 7a_100009861125_100000757381 [0,0,0,1,0,0|2,0,0]=3 10098 B14R1.882 CN1CCCCC1CSCCCC=O 62a_100015185383_200011292268 [0,0,0,1,0,0|2,0,0]=3 10099 B14R1.882 CN1CCCCC1CSCCCC=O 62a_200011292268_100015185383 [0,0,0,1,0,0|2,0,0]=3 10100 B14R1.882 COCCCCNC1CCCCC1C 2230a_100000211402_100000730899 [0,0,0,1,0,0|3,0,0]=4 10101 B14R1.882 COCCCCNC1CCCCC1C 34a_100000211402_100000755781 [0,0,0,1,0,0|3,0,0]=4 10102 B14R1.882 COCCCCNC1CCCNC1=O 2230a_100000747585_100000730899 [0,0,0,1,0,0|3,0,0]=4 10103 B14R1.882 COCCCCNC1CCCNC1=O 34a_100000747585_100000755781 [0,0,0,1,0,0|3,0,0]=4 10104 B14R1.882 COCCCCOC1CCCCC1=O 34a_100000740925_100000754470 [0,0,0,1,0,0|2,0,0]=3 10105 B14R1.882 COCCCCOC1CCCCC1=O 34a_100011214950_100000755781 [0,0,0,1,0,0|2,0,0]=3 10106 B14R1.882 COCCCCOC1CCCCC1C 34a_100000211207_100000755781 [0,0,0,1,0,0|3,0,0]=4 10107 B14R1.882 COCCCCOC1CCCCC1C 7a_100000211207_100000730899 [0,0,0,1,0,0|3,0,0]=4 10108 B14R1.882 COCCCCOC1CCCNC1=O 34a_100000073722_100000755781 [0,0,0,1,0,0|3,0,0]=4 10109 B14R1.882 COCCCCOC1CCCNC1=O 34a_100000740925_100000687798 [0,0,0,1,0,0|3,0,0]=4 10110 B14R1.882 COCCCCOC1COCCC1=O 34a_100000740925_100012180262 [0,0,0,1,0,0|3,0,0]=4 10111 B14R1.882 COCCCCSC1CCCCC1=O 62a_100000204591_100000730899 [0,0,0,1,0,0|2,0,0]=3 10112 B14R1.882 COCCCCSC1CCCCC1=O 62a_100000730899_100000204591 [0,0,0,1,0,0|2,0,0]=3 10113 B14R1.882 COCCCCSC1CCCNC1=O 62a_100000687798_100000730899 [0,0,0,1,0,0|3,0,0]=4 10114 B14R1.882 COCCCCSC1CCCNC1=O 62a_100000730899_100000687798 [0,0,0,1,0,0|3,0,0]=4 10115 B14R1.882 COCCCCSC1COCCC1=O 62a_100000730899_100012180262 [0,0,0,1,0,0|3,0,0]=4 10116 B14R1.882 COCCCCSC1COCCC1=O 62a_100012180262_100000730899 [0,0,0,1,0,0|3,0,0]=4 10117 B14R1.882 COCCCOCC1CCCCC1=O 34a_100009861125_100000740836 [0,0,0,1,0,0|2,0,0]=3 10118 B14R1.882 COCCCOCC1CCCCC1=O 7a_100009861125_100000740836 [0,0,0,1,0,0|2,0,0]=3 10119 B14R1.882 COCCNCCN1CCCCC1=O 2230a_100160573077_100011201679 [0,0,0,1,0,0|3,0,0]=4 10120 B14R1.882 COCCNCCN1CCCCC1=O 34a_100160573077_100011201679 [0,0,0,1,0,0|3,0,0]=4 10121 B14R1.882 COCCOCSC1CCCCC1=O 62a_100000204591_100000231047 [0,0,0,1,0,0|3,0,0]=4 10122 B14R1.882 COCCOCSC1CCCCC1=O 62a_100000231047_100000204591 [0,0,0,1,0,0|3,0,0]=4 10123 B14R1.882 CSCCCCOC1CCCCC1=O 34a_100011217163_100000754470 [0,0,0,1,0,0|2,0,0]=3 10124 B14R1.882 CSCCCCOC1CCCCC1=O 7a_100011217163_100000204591 [0,0,0,1,0,0|2,0,0]=3 10125 B14R1.882 CSCCCCOC1CCCNC1=O 34a_100011217163_100000687798 [0,0,0,1,0,0|3,0,0]=4 10126 B14R1.882 CSCCCCOC1CCCNC1=O 7a_100011217163_100000687798 [0,0,0,1,0,0|3,0,0]=4 10127 B14R1.882 CSCCCCOC1COCCC1=O 34a_100011217163_100012180262 [0,0,0,1,0,0|3,0,0]=4 10128 B14R1.882 CSCCCCOC1COCCC1=O 7a_100011217163_100012180262 [0,0,0,1,0,0|3,0,0]=4 10129 B14R1.882 CSCCNCCN1CCCCC1=O 2230a_100160573077_100000751147 [0,0,0,1,0,0|3,0,0]=4 10130 B14R1.882 CSCCNCCN1CCCCC1=O 34a_100160573077_100000212216 [0,0,0,1,0,0|3,0,0]=4 10131 B14R1.882 C[C@H]1COCCN1CCCCCC=O 2230a_100009815349_100000139337 [0,0,0,1,0,0|2,0,0]=3 10132 B14R1.882 C[C@H]1COCCN1CCCCCC=O 269982a_100009815349_100000139337 [0,0,0,1,0,0|2,0,0]=3 10133 B14R1.882 N#CCCCCSC1CCCCC1=O 62a_100000204591_100000211819 [0,0,0,1,0,0|2,0,1]=4 10134 B14R1.882 N#CCCCCSC1CCCCC1=O 62a_100011219923_100000204591 [0,0,0,1,0,0|2,0,1]=4 10135 B14R1.882 N#CCCCOCC1CCCCC1=O 7a_100009861125_100000687738 [0,0,0,1,0,0|2,0,1]=4 10136 B14R1.882 NCCCCCOC1CCCCC1=O 34a_100000762737_100000754470 [0,0,0,1,0,0|2,0,0]=3 10137 B14R1.882 NCCCCCOC1CCCNC1=O 34a_100000762737_100000687798 [0,0,0,1,0,0|3,0,0]=4 10138 B14R1.882 NCCCCCOC1COCCC1=O 34a_100000762737_100012180262 [0,0,0,1,0,0|3,0,0]=4 10139 B14R1.882 NCCOCCOC1CCCCC1=O 34a_100000211614_100000754470 [0,0,0,1,0,0|3,0,0]=4 10140 B14R1.882 O=C1CCCCC1COCCCCF 34a_100009861125_100000729493 [0,0,0,1,0,0|2,0,0]=3 10141 B14R1.882 O=C1CCCCC1COCCCCF 7a_100009861125_100000729493 [0,0,0,1,0,0|2,0,0]=3 10142 B14R1.882 O=C1CCCCC1COCCCCO 34a_100009861125_100011216708 [0,0,0,1,0,0|2,0,0]=3 10143 B14R1.882 O=C1CCCCC1COCCCCO 7a_100009861125_100000210776 [0,0,0,1,0,0|2,0,0]=3 10144 B14R1.882 O=C1CCCCC1NCCCCCO 34a_100000762737_100000754470 [0,0,0,1,0,0|2,0,0]=3 10145 B14R1.882 O=C1CCCCC1NCCOCCO 34a_100000211614_100000754470 [0,0,0,1,0,0|3,0,0]=4 10146 B14R1.882 O=C1CCCCC1OCCCCCBr 34a_100000746331_100000754470 [0,0,0,1,0,0|2,0,0]=3 10147 B14R1.882 O=C1CCCCC1OCCCCCBr 7a_100000746331_100000204591 [0,0,0,1,0,0|2,0,0]=3 10148 B14R1.882 O=C1CCCCC1OCCCCCCl 34a_100000746330_100000754470 [0,0,0,1,0,0|2,0,0]=3 10149 B14R1.882 O=C1CCCCC1OCCCCCCl 7a_100000746330_100000204591 [0,0,0,1,0,0|2,0,0]=3 10150 B14R1.882 O=C1CCCCC1OCCCCCF 34a_100011214950_100000729378 [0,0,0,1,0,0|2,0,0]=3 10151 B14R1.882 O=C1CCCCC1OCCCCCI 34a_200012148887_100000754470 [0,0,0,1,0,0|2,0,0]=3 10152 B14R1.882 O=C1CCCCC1OCCCCCI 7a_200012148887_100000204591 [0,0,0,1,0,0|2,0,0]=3 10153 B14R1.882 O=C1CCCCC1OCCCCCO 34a_100011214950_100000746330 [0,0,0,1,0,0|2,0,0]=3 10154 B14R1.882 O=C1CCCCC1OCCOCCBr 34a_100000692535_100000754470 [0,0,0,1,0,0|3,0,0]=4 10155 B14R1.882 O=C1CCCCC1OCCOCCBr 7a_100000692535_100000204591 [0,0,0,1,0,0|3,0,0]=4 10156 B14R1.882 O=C1CCCCC1OCCOCCCl 34a_100011215305_100000754470 [0,0,0,1,0,0|3,0,0]=4 10157 B14R1.882 O=C1CCCCC1OCCOCCCl 7a_100011215305_100000204591 [0,0,0,1,0,0|3,0,0]=4 10158 B14R1.882 O=C1CCCCC1OCCOCCF 34a_200015357709_100000754470 [0,0,0,1,0,0|3,0,0]=4 10159 B14R1.882 O=C1CCCCC1OCCOCCF 7a_200015357709_100000204591 [0,0,0,1,0,0|3,0,0]=4 10160 B14R1.882 O=C1CCCCC1OCCOCCI 34a_100012149058_100000754470 [0,0,0,1,0,0|3,0,0]=4 10161 B14R1.882 O=C1CCCCC1OCCOCCI 7a_100012149058_100000204591 [0,0,0,1,0,0|3,0,0]=4 10162 B14R1.882 O=C1CCCCC1OCCOCCO 34a_100011214950_100000692535 [0,0,0,1,0,0|3,0,0]=4 10163 B14R1.882 O=C1CCCCC1SCCCCCF 62a_100000204591_100000729378 [0,0,0,1,0,0|2,0,0]=3 10164 B14R1.882 O=C1CCCCC1SCCCCCF 62a_100000729378_100000204591 [0,0,0,1,0,0|2,0,0]=3 10165 B14R1.882 O=C1CCCCC1SCCCCCO 62a_100000204591_100000746330 [0,0,0,1,0,0|2,0,0]=3 10166 B14R1.882 O=C1CCCCC1SCCCCCO 62a_100000746330_100000204591 [0,0,0,1,0,0|2,0,0]=3 10167 B14R1.882 O=C1CCCCC1SCCOCCO 62a_100000204591_100011215305 [0,0,0,1,0,0|3,0,0]=4 10168 B14R1.882 O=C1CCCCC1SCCOCCO 62a_100011215305_100000204591 [0,0,0,1,0,0|3,0,0]=4 10169 B14R1.882 O=C1CCCCN1CCNCCCF 2230a_100160573077_100011934791 [0,0,0,1,0,0|3,0,0]=4 10170 B14R1.882 O=C1CCCCN1CCNCCCF 34a_100160573077_100011934791 [0,0,0,1,0,0|3,0,0]=4 10171 B14R1.882 O=C1CCCCN1CCNCCCO 2230a_100160573077_100000230001 [0,0,0,1,0,0|3,0,0]=4 10172 B14R1.882 O=C1CCCCN1CCNCCCO 34a_100160573077_100000230001 [0,0,0,1,0,0|3,0,0]=4 10173 B14R1.882 O=C1CCOCC1NCCCCCO 34a_100000762737_100012180262 [0,0,0,1,0,0|3,0,0]=4 10174 B14R1.882 O=C1CCOCC1OCCCCCBr 34a_100000746331_100012180262 [0,0,0,1,0,0|3,0,0]=4 10175 B14R1.882 O=C1CCOCC1OCCCCCBr 7a_100000746331_100012180262 [0,0,0,1,0,0|3,0,0]=4 10176 B14R1.882 O=C1CCOCC1OCCCCCCl 34a_100000746330_100012180262 [0,0,0,1,0,0|3,0,0]=4 10177 B14R1.882 O=C1CCOCC1OCCCCCCl 7a_100000746330_100012180262 [0,0,0,1,0,0|3,0,0]=4 10178 B14R1.882 O=C1CCOCC1OCCCCCI 34a_200012148887_100012180262 [0,0,0,1,0,0|3,0,0]=4 10179 B14R1.882 O=C1CCOCC1OCCCCCI 7a_200012148887_100012180262 [0,0,0,1,0,0|3,0,0]=4 10180 B14R1.882 O=C1CCOCC1SCCCCCF 62a_100000729378_100012180262 [0,0,0,1,0,0|3,0,0]=4 10181 B14R1.882 O=C1CCOCC1SCCCCCF 62a_100012180262_100000729378 [0,0,0,1,0,0|3,0,0]=4 10182 B14R1.882 O=C1CCOCC1SCCCCCO 62a_100000746330_100012180262 [0,0,0,1,0,0|3,0,0]=4 10183 B14R1.882 O=C1CCOCC1SCCCCCO 62a_100012180262_100000746330 [0,0,0,1,0,0|3,0,0]=4 10184 B14R1.882 O=C1NCCCC1NCCCCCF 2230a_100000747585_100000729378 [0,0,0,1,0,0|3,0,0]=4 10185 B14R1.882 O=C1NCCCC1NCCCCCF 34a_100000747585_100000729378 [0,0,0,1,0,0|3,0,0]=4 10186 B14R1.882 O=C1NCCCC1NCCCCCO 2230a_100000747585_100000746330 [0,0,0,1,0,0|3,0,0]=4 10187 B14R1.882 O=C1NCCCC1NCCCCCO 2230a_100000762737_100000687798 [0,0,0,1,0,0|3,0,0]=4 10188 B14R1.882 O=C1NCCCC1NCCCCCO 34a_100000747585_100000746330 [0,0,0,1,0,0|3,0,0]=4 10189 B14R1.882 O=C1NCCCC1NCCCCCO 34a_100000762737_100000687798 [0,0,0,1,0,0|3,0,0]=4 10190 B14R1.882 O=C1NCCCC1OCCCCCBr 34a_100000746331_100000687798 [0,0,0,1,0,0|3,0,0]=4 10191 B14R1.882 O=C1NCCCC1OCCCCCBr 7a_100000746331_100000687798 [0,0,0,1,0,0|3,0,0]=4 10192 B14R1.882 O=C1NCCCC1OCCCCCCl 34a_100000746330_100000687798 [0,0,0,1,0,0|3,0,0]=4 10193 B14R1.882 O=C1NCCCC1OCCCCCCl 7a_100000746330_100000687798 [0,0,0,1,0,0|3,0,0]=4 10194 B14R1.882 O=C1NCCCC1OCCCCCF 34a_100000073722_100000729378 [0,0,0,1,0,0|3,0,0]=4 10195 B14R1.882 O=C1NCCCC1OCCCCCI 34a_200012148887_100000687798 [0,0,0,1,0,0|3,0,0]=4 10196 B14R1.882 O=C1NCCCC1OCCCCCI 7a_200012148887_100000687798 [0,0,0,1,0,0|3,0,0]=4 10197 B14R1.882 O=C1NCCCC1OCCCCCO 34a_100000073722_100000746330 [0,0,0,1,0,0|3,0,0]=4 10198 B14R1.882 O=C1NCCCC1SCCCCCF 62a_100000687798_100000729378 [0,0,0,1,0,0|3,0,0]=4 10199 B14R1.882 O=C1NCCCC1SCCCCCF 62a_100000729378_100000687798 [0,0,0,1,0,0|3,0,0]=4 10200 B14R1.882 O=C1NCCCC1SCCCCCO 62a_100000687798_100000746330 [0,0,0,1,0,0|3,0,0]=4 10201 B14R1.882 O=C1NCCCC1SCCCCCO 62a_100000746330_100000687798 [0,0,0,1,0,0|3,0,0]=4 10202 B14R1.882 O=CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000139335 [0,0,0,1,0,0|2,0,0]=3 10203 B14R1.882 O=CCCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000139335 [0,0,0,1,0,0|3,0,0]=4 10204 B14R1.882 O=CCCCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000139335 [0,0,0,1,0,0|3,0,0]=4 10205 B14R1.882 O=CCCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000139335 [0,0,0,1,0,0|3,0,0]=4 10206 B14R1.882 O=CCCCCOC1CCCCC1Cl 7a_100000038908_100000139335 [0,0,0,1,0,0|2,0,0]=3 10207 B14R1.882 O=CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000139335 [0,0,0,1,0,0|2,0,0]=3 10208 B14R1.882 O=CCCCCSC1CCCCC1=O 62a_100000139335_100000204591 [0,0,0,1,0,0|2,0,1]=4 10209 B14R1.882 O=CCCCCSC1CCCCC1=O 62a_100000204591_100000139335 [0,0,0,1,0,0|2,0,1]=4 10210 B14R1.882 O=CCCCCSC1CCCCC1F 62a_100000139335_100015423560 [0,0,0,1,0,0|2,0,0]=3 10211 B14R1.882 O=CCCCCSC1CCCCC1F 62a_100015423560_100000139335 [0,0,0,1,0,0|2,0,0]=3 10212 B14R1.882 O=CCCCCSC1CCCCC1O 62a_100000038908_100000139335 [0,0,0,1,0,0|2,0,0]=3 10213 B14R1.882 O=CCCCCSC1CCCCC1O 62a_100000139335_100000038908 [0,0,0,1,0,0|2,0,0]=3 10214 B14R1.882 O=CCCCOCC1CCCCC1=O 7a_100009861125_200011292268 [0,0,0,1,0,0|2,0,1]=4 10215 B14R1.890 C#CCCCCCCOCC1CC1C 34a_100000744939_100012276617 [0,0,0,1,0,0|2,0,1]=4 10216 B14R1.890 C#CCCCCCCOCC1CC1C 7a_100000744939_100012276617 [0,0,0,1,0,0|2,0,1]=4 10217 B14R1.890 C=CCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100012355270 [0,0,0,1,0,0|3,0,0]=4 10218 B14R1.890 C=CCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100012355270 [0,0,0,1,0,0|3,0,0]=4 10219 B14R1.890 C=CCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100012355270 [0,0,0,1,0,0|3,0,0]=4 10220 B14R1.890 C=CCCCCCCOCC1CC1C 34a_100000744939_100011215473 [0,0,0,1,0,0|2,0,0]=3 10221 B14R1.890 C=CCCCCCCOCC1CC1C 7a_100000744939_100011215473 [0,0,0,1,0,0|2,0,0]=3 10222 B14R1.890 CC1CC1COCCCCCCC#N 7a_100000744939_100009813337 [0,0,0,1,0,0|2,0,1]=4 10223 B14R1.890 CC1CC1COCCCCCCCO 34a_100000744939_100000760002 [0,0,0,1,0,0|1,0,2]=4 10224 B14R1.890 CC1CC1COCCCCCCCO 7a_100000744939_100000760002 [0,0,0,1,0,0|1,0,2]=4 10225 B14R1.890 CCCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011214924 [0,0,0,1,0,0|2,0,1]=4 10226 B14R1.890 CCCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011214924 [0,0,0,1,0,0|2,0,1]=4 10227 B14R1.890 CCCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011214924 [0,0,0,1,0,0|2,0,1]=4 10228 B14R1.890 CCCCCCCCOCC1CC1C 34a_100000744939_100000210759 [0,0,0,1,0,0|2,0,1]=4 10229 B14R1.890 CCCCCCCCOCC1CC1C 7a_100000744939_100000210759 [0,0,0,1,0,0|2,0,1]=4 10230 B14R1.890 COCCCCCCOCC1CC1C 34a_100000744939_100011998445 [0,0,0,1,0,0|3,0,0]=4 10231 B14R1.890 COCCCCCCOCC1CC1C 7a_100000744939_100011998445 [0,0,0,1,0,0|3,0,0]=4 10232 B14R1.891 BrCCCCCCCCOC1CCC1 34a_100009813846_100000749161 [0,0,0,1,0,0|2,0,1]=4 10233 B14R1.891 BrCCCCCCCOCC1CCC1 34a_100000760002_100000763275 [0,0,0,1,0,0|2,0,1]=4 10234 B14R1.891 BrCCCCCCCOCC1CCC1 7a_100000760002_100000763275 [0,0,0,1,0,0|2,0,1]=4 10235 B14R1.891 C#CCCCCCCCNC1CCC1 2230a_100000749019_100153394163 [0,0,0,1,0,0|2,0,1]=4 10236 B14R1.891 C#CCCCCCCCNC1CCC1 34a_100000749019_100153394163 [0,0,0,1,0,0|2,0,1]=4 10237 B14R1.891 C#CCCCCCCCOC1CCC1 34a_100000054614_100000749161 [0,0,0,1,0,0|2,0,1]=4 10238 B14R1.891 C#CCCCCCCCOC1CCC1 34a_100000748187_100153394163 [0,0,0,1,0,0|2,0,1]=4 10239 B14R1.891 C#CCCCCCCCSC1CCC1 62a_100153394163_100000749161 [0,0,0,1,0,0|2,0,1]=4 10240 B14R1.891 C#CCCCCCCNCC1CCC1 2230a_100000738700_100012276617 [0,0,0,1,0,0|2,0,1]=4 10241 B14R1.891 C#CCCCCCCNCC1CCC1 34a_100000738700_100012276617 [0,0,0,1,0,0|2,0,1]=4 10242 B14R1.891 C#CCCCCCCOCC1CCC1 34a_100000760304_100012276617 [0,0,0,1,0,0|2,0,1]=4 10243 B14R1.891 C#CCCCCCCOCC1CCC1 34a_100011217361_100000763275 [0,0,0,1,0,0|2,0,1]=4 10244 B14R1.891 C#CCCCCCCOCC1CCC1 7a_100011217361_100000763275 [0,0,0,1,0,0|2,0,1]=4 10245 B14R1.891 C#CCCCCCCSCC1CCC1 62a_100000763275_100012276617 [0,0,0,1,0,0|2,0,1]=4 10246 B14R1.891 C#CCCCCCCSCC1CCC1 62a_100012276617_100000763275 [0,0,0,1,0,0|2,0,1]=4 10247 B14R1.891 C=CCCCCCCCCN1CCC1 269982a_100000754969_100011933949 [0,0,0,1,0,0|2,0,0]=3 10248 B14R1.891 C=CCCCCCCCNC1CCC1 2230a_100000749019_100012355270 [0,0,0,1,0,0|2,0,0]=3 10249 B14R1.891 C=CCCCCCCCNC1CCC1 34a_100000749019_100012355270 [0,0,0,1,0,0|2,0,0]=3 10250 B14R1.891 C=CCCCCCCCNC1COC1 2230a_100016991112_100012355270 [0,0,0,1,0,0|3,0,0]=4 10251 B14R1.891 C=CCCCCCCCOC1CCC1 34a_100000730831_100000749161 [0,0,0,1,0,0|2,0,0]=3 10252 B14R1.891 C=CCCCCCCCOC1CCC1 34a_100000748187_100012355270 [0,0,0,1,0,0|2,0,0]=3 10253 B14R1.891 C=CCCCCCCCOC1COC1 34a_100000730831_100009818527 [0,0,0,1,0,0|3,0,0]=4 10254 B14R1.891 C=CCCCCCCCOC1COC1 7a_100000730831_100009818527 [0,0,0,1,0,0|3,0,0]=4 10255 B14R1.891 C=CCCCCCCCOC1CSC1 7a_100000072292_100012355270 [0,0,0,1,0,0|3,0,0]=4 10256 B14R1.891 C=CCCCCCCCSC1CCC1 62a_100012355270_100000749161 [0,0,0,1,0,0|2,0,0]=3 10257 B14R1.891 C=CCCCCCCCSC1COC1 62a_100012355270_100009818527 [0,0,0,1,0,0|3,0,0]=4 10258 B14R1.891 C=CCCCCCCNCC1CCC1 2230a_100000738700_100011215473 [0,0,0,1,0,0|2,0,0]=3 10259 B14R1.891 C=CCCCCCCNCC1CCC1 34a_100000738700_100011215473 [0,0,0,1,0,0|2,0,0]=3 10260 B14R1.891 C=CCCCCCCNCC1COC1 2230a_100015281925_100011215473 [0,0,0,1,0,0|3,0,0]=4 10261 B14R1.891 C=CCCCCCCNCC1COC1 34a_100015281925_100011215473 [0,0,0,1,0,0|3,0,0]=4 10262 B14R1.891 C=CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100011215473 [0,0,0,1,0,0|3,0,0]=4 10263 B14R1.891 C=CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100011215473 [0,0,0,1,0,0|3,0,0]=4 10264 B14R1.891 C=CCCCCCCOCC1CCC1 34a_100000760304_100011215473 [0,0,0,1,0,0|2,0,0]=3 10265 B14R1.891 C=CCCCCCCOCC1CCC1 34a_200011216477_100000763275 [0,0,0,1,0,0|2,0,0]=3 10266 B14R1.891 C=CCCCCCCOCC1CCC1 7a_200011216477_100000763275 [0,0,0,1,0,0|2,0,0]=3 10267 B14R1.891 C=CCCCCCCOCC1CCO1 34a_100000039022_100011215473 [0,0,0,1,0,0|3,0,0]=4 10268 B14R1.891 C=CCCCCCCOCC1CCO1 34a_200011216477_100000103362 [0,0,0,1,0,0|3,0,0]=4 10269 B14R1.891 C=CCCCCCCOCC1CCO1 7a_200011216477_100000103362 [0,0,0,1,0,0|3,0,0]=4 10270 B14R1.891 C=CCCCCCCOCC1CNC1 34a_100016987283_100011215473 [0,0,0,1,0,0|3,0,0]=4 10271 B14R1.891 C=CCCCCCCOCC1COC1 34a_100000060846_100011215473 [0,0,0,1,0,0|3,0,0]=4 10272 B14R1.891 C=CCCCCCCOCC1COC1 34a_200011216477_100010264016 [0,0,0,1,0,0|3,0,0]=4 10273 B14R1.891 C=CCCCCCCOCC1COC1 7a_200011216477_100010264016 [0,0,0,1,0,0|3,0,0]=4 10274 B14R1.891 C=CCCCCCCSCC1CCC1 62a_100000763275_100011215473 [0,0,0,1,0,0|2,0,0]=3 10275 B14R1.891 C=CCCCCCCSCC1CCC1 62a_100011215473_100000763275 [0,0,0,1,0,0|2,0,0]=3 10276 B14R1.891 C=CCCCCCCSCC1CCO1 62a_100000103362_100011215473 [0,0,0,1,0,0|3,0,0]=4 10277 B14R1.891 C=CCCCCCCSCC1CCO1 62a_100011215473_100000103362 [0,0,0,1,0,0|3,0,0]=4 10278 B14R1.891 C=CCCCCCCSCC1COC1 62a_100010264016_100011215473 [0,0,0,1,0,0|3,0,0]=4 10279 B14R1.891 C=CCCCCCCSCC1COC1 62a_100011215473_100010264016 [0,0,0,1,0,0|3,0,0]=4 10280 B14R1.891 C=CCCCCCOCCC1COC1 34a_100009855314_100000700193 [0,0,0,1,0,0|3,0,0]=4 10281 B14R1.891 CCCCCCCCCCN1CCC1 269982a_100000754969_100000210320 [0,0,0,1,0,0|2,0,1]=4 10282 B14R1.891 CCCCCCCCCNC1CCC1 2230a_100000749019_100011214924 [0,0,0,1,0,0|2,0,1]=4 10283 B14R1.891 CCCCCCCCCNC1CCC1 270004a_100000212291_100000241760 [0,0,0,1,0,0|2,0,1]=4 10284 B14R1.891 CCCCCCCCCNC1CCC1 34a_100000212291_100000749161 [0,0,0,1,0,0|2,0,1]=4 10285 B14R1.891 CCCCCCCCCNC1CCC1 34a_100000749019_100011214924 [0,0,0,1,0,0|2,0,1]=4 10286 B14R1.891 CCCCCCCCCNC1COC1 2230a_100016991112_100011214924 [0,0,0,1,0,0|3,0,0]=4 10287 B14R1.891 CCCCCCCCCNC1COC1 34a_100000212291_100009818527 [0,0,0,1,0,0|3,0,0]=4 10288 B14R1.891 CCCCCCCCCOC1CCC1 34a_100000210712_100000749161 [0,0,0,1,0,0|2,0,1]=4 10289 B14R1.891 CCCCCCCCCOC1CCC1 34a_100000748187_100011214924 [0,0,0,1,0,0|2,0,1]=4 10290 B14R1.891 CCCCCCCCCOC1COC1 34a_100000210712_100009818527 [0,0,0,1,0,0|3,0,0]=4 10291 B14R1.891 CCCCCCCCCOC1COC1 7a_100000210712_100009818527 [0,0,0,1,0,0|3,0,0]=4 10292 B14R1.891 CCCCCCCCCOC1CSC1 7a_100000072292_100000210328 [0,0,0,1,0,0|3,0,0]=4 10293 B14R1.891 CCCCCCCCNCC1CCC1 2230a_100000229939_100000763275 [0,0,0,1,0,0|2,0,1]=4 10294 B14R1.891 CCCCCCCCNCC1CCC1 2230a_100000738700_100000210759 [0,0,0,1,0,0|2,0,1]=4 10295 B14R1.891 CCCCCCCCNCC1CCC1 269862a_100000229939_100000753134 [0,0,0,1,0,0|2,0,1]=4 10296 B14R1.891 CCCCCCCCNCC1CCC1 34a_100000229939_100000763275 [0,0,0,1,0,0|2,0,1]=4 10297 B14R1.891 CCCCCCCCNCC1CCC1 34a_100000738700_100000210759 [0,0,0,1,0,0|2,0,1]=4 10298 B14R1.891 CCCCCCCCNCC1CCO1 2230a_100000229939_100000103362 [0,0,0,1,0,0|1,0,2]=4 10299 B14R1.891 CCCCCCCCNCC1CCO1 34a_100000229939_100000103362 [0,0,0,1,0,0|1,0,2]=4 10300 B14R1.891 CCCCCCCCNCC1COC1 2230a_100000229939_100010264016 [0,0,0,1,0,0|3,0,0]=4 10301 B14R1.891 CCCCCCCCNCC1COC1 2230a_100015281925_100000210759 [0,0,0,1,0,0|3,0,0]=4 10302 B14R1.891 CCCCCCCCNCC1COC1 34a_100000229939_100010264016 [0,0,0,1,0,0|3,0,0]=4 10303 B14R1.891 CCCCCCCCNCC1COC1 34a_100015281925_100000210759 [0,0,0,1,0,0|3,0,0]=4 10304 B14R1.891 CCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210759 [0,0,0,1,0,0|1,0,2]=4 10305 B14R1.891 CCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210759 [0,0,0,1,0,0|1,0,2]=4 10306 B14R1.891 CCCCCCCCOCC1CCC1 34a_100000210232_100000763275 [0,0,0,1,0,0|2,0,1]=4 10307 B14R1.891 CCCCCCCCOCC1CCC1 34a_100000760304_100000210759 [0,0,0,1,0,0|2,0,1]=4 10308 B14R1.891 CCCCCCCCOCC1CCC1 7a_100000210232_100000763275 [0,0,0,1,0,0|2,0,1]=4 10309 B14R1.891 CCCCCCCCOCC1CCO1 34a_100000039022_100000210759 [0,0,0,1,0,0|1,0,2]=4 10310 B14R1.891 CCCCCCCCOCC1CCO1 34a_100000210232_100000103362 [0,0,0,1,0,0|1,0,2]=4 10311 B14R1.891 CCCCCCCCOCC1CCO1 7a_100000210232_100000103362 [0,0,0,1,0,0|1,0,2]=4 10312 B14R1.891 CCCCCCCCOCC1CNC1 34a_100016987283_100000210759 [0,0,0,1,0,0|3,0,0]=4 10313 B14R1.891 CCCCCCCCOCC1COC1 34a_100000060846_100000210759 [0,0,0,1,0,0|3,0,0]=4 10314 B14R1.891 CCCCCCCCOCC1COC1 34a_100000210232_100010264016 [0,0,0,1,0,0|3,0,0]=4 10315 B14R1.891 CCCCCCCCOCC1COC1 7a_100000210232_100010264016 [0,0,0,1,0,0|3,0,0]=4 10316 B14R1.891 CCCCCCCCSCC1CCC1 62a_100000210759_100000763275 [0,0,0,1,0,0|2,0,1]=4 10317 B14R1.891 CCCCCCCCSCC1CCC1 62a_100000763275_100000210317 [0,0,0,1,0,0|2,0,1]=4 10318 B14R1.891 CCCCCCCCSCC1CCO1 62a_100000103362_100000210317 [0,0,0,1,0,0|1,0,2]=4 10319 B14R1.891 CCCCCCCCSCC1CCO1 62a_100000210759_100000103362 [0,0,0,1,0,0|1,0,2]=4 10320 B14R1.891 CCCCCCCCSCC1COC1 62a_100000210759_100010264016 [0,0,0,1,0,0|3,0,0]=4 10321 B14R1.891 CCCCCCCCSCC1COC1 62a_100010264016_100000210317 [0,0,0,1,0,0|3,0,0]=4 10322 B14R1.891 CCCCCCCOCCC1COC1 34a_100009855314_100000210614 [0,0,0,1,0,0|3,0,0]=4 10323 B14R1.891 COCCCCCCNCC1CCC1 2230a_100000738700_100011998445 [0,0,0,1,0,0|3,0,0]=4 10324 B14R1.891 COCCCCCCNCC1CCC1 34a_100000738700_100011998445 [0,0,0,1,0,0|3,0,0]=4 10325 B14R1.891 COCCCCCCOCC1CCC1 34a_100000760304_100011998445 [0,0,0,1,0,0|3,0,0]=4 10326 B14R1.891 COCCCCCCOCC1CCC1 34a_200012092642_100000763275 [0,0,0,1,0,0|3,0,0]=4 10327 B14R1.891 COCCCCCCOCC1CCC1 7a_200012092642_100000763275 [0,0,0,1,0,0|3,0,0]=4 10328 B14R1.891 COCCCCCCSCC1CCC1 62a_100000763275_100011998445 [0,0,0,1,0,0|3,0,0]=4 10329 B14R1.891 COCCCCCCSCC1CCC1 62a_100011998445_100000763275 [0,0,0,1,0,0|3,0,0]=4 10330 B14R1.891 ClCCCCCCCCOC1CCC1 34a_100000033203_100000749161 [0,0,0,1,0,0|2,0,1]=4 10331 B14R1.891 N#CCCCCCCNCC1CCC1 2230a_100000738700_100009813337 [0,0,0,1,0,0|2,0,1]=4 10332 B14R1.891 N#CCCCCCCSCC1CCC1 62a_100000763275_100009813337 [0,0,0,1,0,0|2,0,1]=4 10333 B14R1.891 N#CCCCCCCSCC1CCC1 62a_100009813337_100000763275 [0,0,0,1,0,0|2,0,1]=4 10334 B14R1.891 NCCCCCCCCOC1CCC1 34a_102515433106_100000749161 [0,0,0,1,0,0|2,0,1]=4 10335 B14R1.891 NCCCCCCCOCC1CCC1 34a_100011996573_100000763275 [0,0,0,1,0,0|2,0,1]=4 10336 B14R1.891 OCCCCCCCCCN1CCC1 269982a_100000754969_100009813782 [0,0,0,1,0,0|1,0,2]=4 10337 B14R1.891 OCCCCCCCCNC1CCC1 2230a_100000749019_100000033203 [0,0,0,1,0,0|1,0,2]=4 10338 B14R1.891 OCCCCCCCCNC1CCC1 270004a_102515433106_100000241760 [0,0,0,1,0,0|1,0,2]=4 10339 B14R1.891 OCCCCCCCCNC1CCC1 34a_100000749019_100000033203 [0,0,0,1,0,0|1,0,2]=4 10340 B14R1.891 OCCCCCCCCNC1CCC1 34a_102515433106_100000749161 [0,0,0,1,0,0|1,0,2]=4 10341 B14R1.891 OCCCCCCCCOC1CCC1 34a_100000748187_100000033203 [0,0,0,1,0,0|1,0,2]=4 10342 B14R1.891 OCCCCCCCCSC1CCC1 62a_100000033203_100000749161 [0,0,0,1,0,0|1,0,2]=4 10343 B14R1.891 OCCCCCCCNCC1CCC1 2230a_100000738700_100000760002 [0,0,0,1,0,0|1,0,2]=4 10344 B14R1.891 OCCCCCCCNCC1CCC1 2230a_100011996573_100000763275 [0,0,0,1,0,0|1,0,2]=4 10345 B14R1.891 OCCCCCCCNCC1CCC1 269862a_100011996573_100000753134 [0,0,0,1,0,0|1,0,2]=4 10346 B14R1.891 OCCCCCCCNCC1CCC1 34a_100000738700_100000760002 [0,0,0,1,0,0|1,0,2]=4 10347 B14R1.891 OCCCCCCCNCC1CCC1 34a_100011996573_100000763275 [0,0,0,1,0,0|1,0,2]=4 10348 B14R1.891 OCCCCCCCOCC1CCC1 34a_100000760304_100000760002 [0,0,0,1,0,0|1,0,2]=4 10349 B14R1.891 OCCCCCCCSCC1CCC1 62a_100000760002_100000763275 [0,0,0,1,0,0|1,0,2]=4 10350 B14R1.891 OCCCCCCCSCC1CCC1 62a_100000763275_100000760002 [0,0,0,1,0,0|1,0,2]=4 10351 B14R1.904 C#CCCCN1CCCCC1CCC 2230a_100000701414_100000731252 [0,0,0,1,0,0|2,0,1]=4 10352 B14R1.904 C#CCCCN1CCCCC1CCC 269982a_100000701414_100011215417 [0,0,0,1,0,0|2,0,1]=4 10353 B14R1.904 C#CCCCN1CCCCC1CCC 34a_100000701414_100000695029 [0,0,0,1,0,0|2,0,1]=4 10354 B14R1.904 C#CCCOC1CCCCC1CCC 34a_100011217265_100000688953 [0,0,0,1,0,0|2,0,1]=4 10355 B14R1.904 C#CCCOC1CCCCC1CCC 7a_100011217265_100000688953 [0,0,0,1,0,0|2,0,1]=4 10356 B14R1.904 C/C=C/COC1CCCCC1CCC 34a_100011217265_100102629194 [0,0,0,1,0,0|2,0,1]=4 10357 B14R1.904 C/C=C/COC1CCCCC1CCC 7a_100011217265_100102629194 [0,0,0,1,0,0|2,0,1]=4 10358 B14R1.904 C=CCC1CCCCC1NCCCC 269862a_100000102301_100011214939 [0,0,0,1,0,0|2,0,0]=3 10359 B14R1.904 C=CCC1CCCCC1NCCCC 270004a_100000102301_100011214939 [0,0,0,1,0,0|2,0,0]=3 10360 B14R1.904 C=CCC1CCCCC1NCCCF 269862a_100015189416_100011214939 [0,0,0,1,0,0|3,0,0]=4 10361 B14R1.904 C=CCC1CCCCC1NCCCF 270004a_100015189416_100011214939 [0,0,0,1,0,0|3,0,0]=4 10362 B14R1.904 C=CCC1CCCCC1NCCCO 269862a_100000182051_100011214939 [0,0,0,1,0,0|3,0,0]=4 10363 B14R1.904 C=CCC1CCCCC1NCCCO 270004a_100000182051_100011214939 [0,0,0,1,0,0|3,0,0]=4 10364 B14R1.904 C=CCC1CCCCC1NCCOC 269862a_100000209980_100011214939 [0,0,0,1,0,0|3,0,0]=4 10365 B14R1.904 C=CCC1CCCCC1NCCOC 270004a_100000209980_100011214939 [0,0,0,1,0,0|3,0,0]=4 10366 B14R1.904 C=CCC1CCCCC1NCCSC 269862a_100020590264_100011214939 [0,0,0,1,0,0|3,0,0]=4 10367 B14R1.904 C=CCC1CCCCC1NCCSC 270004a_100020590264_100011214939 [0,0,0,1,0,0|3,0,0]=4 10368 B14R1.904 C=CCCCN1CCCCC1CCC 2230a_100000701414_100011713584 [0,0,0,1,0,0|2,0,0]=3 10369 B14R1.904 C=CCCCN1CCCCC1CCC 269982a_100000701414_100000757094 [0,0,0,1,0,0|2,0,0]=3 10370 B14R1.904 C=CCCCN1CCCCC1CCC 34a_100000701414_100000757094 [0,0,0,1,0,0|2,0,0]=3 10371 B14R1.904 C=CCCCN1CCCCC1CCO 2230a_100000211664_100011713584 [0,0,0,1,0,0|3,0,0]=4 10372 B14R1.904 C=CCCCN1CCCCC1CCO 269982a_100000211664_100000757094 [0,0,0,1,0,0|3,0,0]=4 10373 B14R1.904 C=CCCCN1CCCCC1CCO 34a_100000211664_100000757094 [0,0,0,1,0,0|3,0,0]=4 10374 B14R1.904 C=CCCCN1CCCCC1COC 2230a_100015184032_100011713584 [0,0,0,1,0,0|3,0,0]=4 10375 B14R1.904 C=CCCCN1CCCCC1COC 269982a_100015184032_100000757094 [0,0,0,1,0,0|3,0,0]=4 10376 B14R1.904 C=CCCCN1CCCCC1COC 34a_100015184032_100000757094 [0,0,0,1,0,0|3,0,0]=4 10377 B14R1.904 C=CCCCN1CCOCC1CCC 2230a_102495339903_100011713584 [0,0,0,1,0,0|3,0,0]=4 10378 B14R1.904 C=CCCCN1CCOCC1CCC 269982a_102495339903_100000757094 [0,0,0,1,0,0|3,0,0]=4 10379 B14R1.904 C=CCCCN1CCOCC1CCC 34a_102495339903_100000757094 [0,0,0,1,0,0|3,0,0]=4 10380 B14R1.904 C=CCCNC1CCCCC1CCC 269862a_100015191253_100011218038 [0,0,0,1,0,0|2,0,0]=3 10381 B14R1.904 C=CCCNC1CCCCC1CCC 270004a_100015191253_100011218038 [0,0,0,1,0,0|2,0,0]=3 10382 B14R1.904 C=CCCNC1CCCCC1OCC 270004a_100015191253_200000031474 [0,0,0,1,0,0|3,0,0]=4 10383 B14R1.904 C=CCCOC1CCCCC1CCC 34a_100011217265_100000754431 [0,0,0,1,0,0|2,0,0]=3 10384 B14R1.904 C=CCCOC1CCCCC1CCC 7a_100011217265_100000754431 [0,0,0,1,0,0|2,0,0]=3 10385 B14R1.904 C=CCN1CCCCC1CCCOC 2230a_100011804088_100000210623 [0,0,0,1,0,0|3,0,0]=4 10386 B14R1.904 C=CCN1CCCCC1CCCOC 269982a_100011804088_100000210623 [0,0,0,1,0,0|3,0,0]=4 10387 B14R1.904 C=CCN1CCCCC1CCCOC 34a_100011804088_100015514636 [0,0,0,1,0,0|3,0,0]=4 10388 B14R1.904 C=COCCN1CCCCC1CCC 2230a_100000701414_100000039644 [0,0,0,1,0,0|3,0,0]=4 10389 B14R1.904 C=COCCN1CCCCC1CCC 269982a_100000701414_100000039644 [0,0,0,1,0,0|3,0,0]=4 10390 B14R1.904 C=COCCN1CCCCC1CCC 34a_100000701414_100000039644 [0,0,0,1,0,0|3,0,0]=4 10391 B14R1.904 CC=CCOC1CCCCC1CCC 34a_100011217265_100000070051 [0,0,0,1,0,0|2,0,1]=4 10392 B14R1.904 CC=CCOC1CCCCC1CCC 7a_100011217265_100000070051 [0,0,0,1,0,0|2,0,1]=4 10393 B14R1.904 CCCC1CCCCC1NCCC#N 270004a_100000720768_100011218038 [0,0,0,1,0,0|2,0,1]=4 10394 B14R1.904 CCCC1CCCCC1NCCCF 269862a_100015189416_100011218038 [0,0,0,1,0,0|2,0,1]=4 10395 B14R1.904 CCCC1CCCCC1NCCCF 270004a_100015189416_100011218038 [0,0,0,1,0,0|2,0,1]=4 10396 B14R1.904 CCCC1CCCCC1NCCCO 269862a_100000182051_100011218038 [0,0,0,1,0,0|1,0,2]=4 10397 B14R1.904 CCCC1CCCCC1NCCCO 270004a_100000182051_100011218038 [0,0,0,1,0,0|1,0,2]=4 10398 B14R1.904 CCCC1CCCCC1NCCOC 269862a_100000209980_100011218038 [0,0,0,1,0,0|3,0,0]=4 10399 B14R1.904 CCCC1CCCCC1NCCOC 270004a_100000209980_100011218038 [0,0,0,1,0,0|3,0,0]=4 10400 B14R1.904 CCCC1CCCCC1NCCSC 269862a_100020590264_100011218038 [0,0,0,1,0,0|3,0,0]=4 10401 B14R1.904 CCCC1CCCCC1NCCSC 270004a_100020590264_100011218038 [0,0,0,1,0,0|3,0,0]=4 10402 B14R1.904 CCCC1CCCCC1OCCC#N 7a_100011217265_100000184422 [0,0,0,1,0,0|2,0,1]=4 10403 B14R1.904 CCCC1CCCCC1OCCCF 34a_100011217265_100011934791 [0,0,0,1,0,0|2,0,1]=4 10404 B14R1.904 CCCC1CCCCC1OCCCF 7a_100011217265_100011934791 [0,0,0,1,0,0|2,0,1]=4 10405 B14R1.904 CCCC1CCCCC1OCCCO 34a_100011217265_100000230001 [0,0,0,1,0,0|1,0,2]=4 10406 B14R1.904 CCCC1CCCCC1OCCCO 7a_100011217265_100011215043 [0,0,0,1,0,0|1,0,2]=4 10407 B14R1.904 CCCC1CCCCC1OCCOC 34a_100011217265_100011201679 [0,0,0,1,0,0|3,0,0]=4 10408 B14R1.904 CCCC1CCCCC1OCCOC 7a_100011217265_100000233755 [0,0,0,1,0,0|3,0,0]=4 10409 B14R1.904 CCCC1CCCCC1OCCSC 34a_100011217265_100000212216 [0,0,0,1,0,0|3,0,0]=4 10410 B14R1.904 CCCC1CCCCC1OCCSC 7a_100011217265_100000212216 [0,0,0,1,0,0|3,0,0]=4 10411 B14R1.904 CCCC1CCCCN1CCCC#N 2230a_100000701414_100000687738 [0,0,0,1,0,0|2,0,1]=4 10412 B14R1.904 CCCC1CCCCN1CCCC#N 269982a_100000701414_100000687738 [0,0,0,1,0,0|2,0,1]=4 10413 B14R1.904 CCCC1CCCCN1CCCC=O 2230a_100000701414_200011292268 [0,0,0,1,0,0|1,0,0]=2 10414 B14R1.904 CCCC1CCCCN1CCCC=O 269982a_100000701414_200011292268 [0,0,0,1,0,0|1,0,0]=2 10415 B14R1.904 CCCC1CCCCN1CCCCF 2230a_100000701414_100000729493 [0,0,0,1,0,0|2,0,1]=4 10416 B14R1.904 CCCC1CCCCN1CCCCF 269982a_100000701414_100000729493 [0,0,0,1,0,0|2,0,1]=4 10417 B14R1.904 CCCC1CCCCN1CCCCF 34a_100000701414_100000729493 [0,0,0,1,0,0|2,0,1]=4 10418 B14R1.904 CCCC1CCCCN1CCCCO 2230a_100000701414_100000210776 [0,0,0,1,0,0|1,0,2]=4 10419 B14R1.904 CCCC1CCCCN1CCCCO 269982a_100000701414_100000210776 [0,0,0,1,0,0|1,0,2]=4 10420 B14R1.904 CCCC1CCCCN1CCCCO 34a_100000701414_100011216708 [0,0,0,1,0,0|1,0,2]=4 10421 B14R1.904 CCCC1CCCCN1CCCOC 2230a_100000701414_100000740836 [0,0,0,1,0,0|3,0,0]=4 10422 B14R1.904 CCCC1CCCCN1CCCOC 269982a_100000701414_100000740836 [0,0,0,1,0,0|3,0,0]=4 10423 B14R1.904 CCCC1CCCCN1CCCOC 34a_100000701414_100000740836 [0,0,0,1,0,0|3,0,0]=4 10424 B14R1.904 CCCC1COCCN1CCCC=O 2230a_102495339903_200011292268 [0,0,0,1,0,0|2,0,0]=3 10425 B14R1.904 CCCC1COCCN1CCCC=O 269982a_102495339903_200011292268 [0,0,0,1,0,0|2,0,0]=3 10426 B14R1.904 CCCCCN1CCCCC1CC#N 2230a_100000133382_100000210326 [0,0,0,1,0,0|2,0,1]=4 10427 B14R1.904 CCCCCN1CCCCC1CC#N 34a_100000133382_100000718602 [0,0,0,1,0,0|2,0,1]=4 10428 B14R1.904 CCCCCN1CCCCC1CCC 2230a_100000701414_100000210326 [0,0,0,1,0,0|2,0,1]=4 10429 B14R1.904 CCCCCN1CCCCC1CCC 269982a_100000701414_100000210215 [0,0,0,1,0,0|2,0,1]=4 10430 B14R1.904 CCCCCN1CCCCC1CCC 34a_100000701414_100000718602 [0,0,0,1,0,0|2,0,1]=4 10431 B14R1.904 CCCCCN1CCCCC1CCO 2230a_100000211664_100000210326 [0,0,0,1,0,0|1,0,2]=4 10432 B14R1.904 CCCCCN1CCCCC1CCO 269982a_100000211664_100000210215 [0,0,0,1,0,0|1,0,2]=4 10433 B14R1.904 CCCCCN1CCCCC1CCO 34a_100000211664_100000718602 [0,0,0,1,0,0|1,0,2]=4 10434 B14R1.904 CCCCCN1CCCCC1COC 2230a_100015184032_100000210326 [0,0,0,1,0,0|3,0,0]=4 10435 B14R1.904 CCCCCN1CCCCC1COC 269982a_100015184032_100000210215 [0,0,0,1,0,0|3,0,0]=4 10436 B14R1.904 CCCCCN1CCCCC1COC 34a_100015184032_100000718602 [0,0,0,1,0,0|3,0,0]=4 10437 B14R1.904 CCCCNC1CCCCC1CC#N 270004a_100000102301_100009866218 [0,0,0,1,0,0|2,0,1]=4 10438 B14R1.904 CCCCNC1CCCCC1CCC 269862a_100000102301_100011218038 [0,0,0,1,0,0|2,0,1]=4 10439 B14R1.904 CCCCNC1CCCCC1CCC 270004a_100000102301_100011218038 [0,0,0,1,0,0|2,0,1]=4 10440 B14R1.904 CCCCOC1CCCCC1CCC 34a_100011217265_100000210210 [0,0,0,1,0,0|2,0,1]=4 10441 B14R1.904 CCCCOC1CCCCC1CCC 7a_100011217265_100000210211 [0,0,0,1,0,0|2,0,1]=4 10442 B14R1.904 CCCN1CCCCC1CCCOC 2230a_100011804088_100000210303 [0,0,0,1,0,0|3,0,0]=4 10443 B14R1.904 CCCN1CCCCC1CCCOC 269982a_100011804088_100000210303 [0,0,0,1,0,0|3,0,0]=4 10444 B14R1.904 CCCN1CCCCC1CCCOC 34a_100011804088_100000210303 [0,0,0,1,0,0|3,0,0]=4 10445 B14R1.904 COCC1CCCCN1CCCC=O 2230a_100015184032_200011292268 [0,0,0,1,0,0|2,0,0]=3 10446 B14R1.904 COCC1CCCCN1CCCC=O 269982a_100015184032_200011292268 [0,0,0,1,0,0|2,0,0]=3 10447 B14R1.904 COCCCC1CCCCN1CC=O 2230a_100011804088_200015260668 [0,0,0,1,0,0|2,0,0]=3 10448 B14R1.904 COCCCC1CCCCN1CC=O 269982a_100011804088_200015260668 [0,0,0,1,0,0|2,0,0]=3 10449 B14R1.904 COCCCC1CCCCN1CC=O 34a_100011804088_200009817547 [0,0,0,1,0,0|2,0,0]=3 10450 B14R1.904 COC[C@H]1COCCN1CCCC=O 2230a_100016989928_200011292268 [0,0,0,1,0,0|3,0,0]=4 10451 B14R1.904 COC[C@H]1COCCN1CCCC=O 269982a_100016989928_200011292268 [0,0,0,1,0,0|3,0,0]=4 10452 B14R1.904 N#CCC1CCCCN1CCCC=O 2230a_100000133382_200011292268 [0,0,0,1,0,0|2,0,1]=4 10453 B14R1.904 NCCN1CCCCC1COCC=O 34a_100011473795_200009817547 [0,0,0,1,0,0|3,0,0]=4 10454 B14R1.904 O=CCCCN1CCCCC1CCO 2230a_100000211664_200011292268 [0,0,0,1,0,0|2,0,0]=3 10455 B14R1.904 O=CCCCN1CCCCC1CCO 269982a_100000211664_200011292268 [0,0,0,1,0,0|2,0,0]=3 10456 B14R1.911 C=CCCNC1CCCC1CCCC 269862a_100015191253_100000750825 [0,0,0,1,0,0|2,0,0]=3 10457 B14R1.911 C=CCCNC1CCCC1CCCC 270004a_100015191253_100000750825 [0,0,0,1,0,0|2,0,0]=3 10458 B14R1.911 C=CCNC1CCCC1CCCCC 270004a_100020586998_200000198059 [0,0,0,1,0,0|2,0,0]=3 10459 B14R1.911 CCCCC1C=CCN1CCCC=O 2230a_100015184376_200011292268 [0,0,0,1,0,0|1,0,2]=4 10460 B14R1.911 CCCCC1C=CCN1CCCC=O 269982a_100015184376_200011292268 [0,0,0,1,0,0|1,0,2]=4 10461 B14R1.911 CCCCC1CCCC1NCCC#N 270004a_100000720768_100000750825 [0,0,0,1,0,0|2,0,1]=4 10462 B14R1.911 CCCCC1CCCC1NCCCF 269862a_100015189416_100000750825 [0,0,0,1,0,0|2,0,1]=4 10463 B14R1.911 CCCCC1CCCC1NCCCF 270004a_100015189416_100000750825 [0,0,0,1,0,0|2,0,1]=4 10464 B14R1.911 CCCCC1CCCC1NCCCO 269862a_100000182051_100000750825 [0,0,0,1,0,0|1,0,2]=4 10465 B14R1.911 CCCCC1CCCC1NCCCO 270004a_100000182051_100000750825 [0,0,0,1,0,0|1,0,2]=4 10466 B14R1.911 CCCCC1CCCC1NCCOC 269862a_100000209980_100000750825 [0,0,0,1,0,0|3,0,0]=4 10467 B14R1.911 CCCCC1CCCC1NCCOC 270004a_100000209980_100000750825 [0,0,0,1,0,0|3,0,0]=4 10468 B14R1.911 CCCCC1CCCC1NCCSC 269862a_100020590264_100000750825 [0,0,0,1,0,0|3,0,0]=4 10469 B14R1.911 CCCCC1CCCC1NCCSC 270004a_100020590264_100000750825 [0,0,0,1,0,0|3,0,0]=4 10470 B14R1.911 CCCCCC1CCCC1NCCC 269862a_100020643023_200000198059 [0,0,0,1,0,0|2,0,1]=4 10471 B14R1.911 CCCCCC1CCCC1NCCC 270004a_100020643023_200000198059 [0,0,0,1,0,0|2,0,1]=4 10472 B14R1.911 CCCCCC1CCCC1NCCF 269862a_100000724931_200000198059 [0,0,0,1,0,0|2,0,1]=4 10473 B14R1.911 CCCCCC1CCCC1NCCO 269862a_100000210304_200000198059 [0,0,0,1,0,0|1,0,2]=4 10474 B14R1.911 CCCCCC1CCCC1NCCO 270004a_100000210304_200000198059 [0,0,0,1,0,0|1,0,2]=4 10475 B14R1.911 CCCCNC1CCCC1CCC#N 270004a_100000102301_100000073560 [0,0,0,1,0,0|2,0,1]=4 10476 B14R1.911 CCCCNC1CCCC1CCCC 269862a_100000102301_100000750825 [0,0,0,1,0,0|2,0,1]=4 10477 B14R1.911 CCCCNC1CCCC1CCCC 270004a_100000102301_100000750825 [0,0,0,1,0,0|2,0,1]=4 10478 B14R1.1254 C#CCCCCN1CCCCCCC1 2230a_100000211400_100010269958 [0,0,0,1,0,0|2,0,1]=4 10479 B14R1.1254 C#CCCCCN1CCCCCCC1 269982a_100000211400_100010269958 [0,0,0,1,0,0|2,0,1]=4 10480 B14R1.1254 C#CCCCCN1CCCCCCC1 34a_100000211400_100010269958 [0,0,0,1,0,0|2,0,1]=4 10481 B14R1.1254 C#CCCCNC1CCCCCCC1 2230a_100000211152_100000731252 [0,0,0,1,0,0|2,0,1]=4 10482 B14R1.1254 C#CCCCNC1CCCCCCC1 270004a_100000718082_100000210524 [0,0,0,1,0,0|2,0,1]=4 10483 B14R1.1254 C#CCCCNC1CCCCCCC1 34a_100000211152_100000695029 [0,0,0,1,0,0|2,0,1]=4 10484 B14R1.1254 C#CCCCOC1CCCCCCC1 34a_100000210054_100000695029 [0,0,0,1,0,0|2,0,1]=4 10485 B14R1.1254 C#CCCCOC1CCCCCCC1 7a_100000210054_100011215417 [0,0,0,1,0,0|2,0,1]=4 10486 B14R1.1254 C#CCCOCC1CCCCCCC1 34a_100011216312_100000688953 [0,0,0,1,0,0|2,0,1]=4 10487 B14R1.1254 C#CCCOCC1CCCCCCC1 7a_100011216312_100000688953 [0,0,0,1,0,0|2,0,1]=4 10488 B14R1.1254 C#CCNCCC1CCCCCCC1 2230a_100011532352_100000038162 [0,0,0,1,0,0|2,0,1]=4 10489 B14R1.1254 C#CCNCCC1CCCCCCC1 34a_100011532352_100000184674 [0,0,0,1,0,0|2,0,1]=4 10490 B14R1.1254 C/C=C/COCC1CCCCCCC1 34a_100011216312_100102629194 [0,0,0,1,0,0|2,0,1]=4 10491 B14R1.1254 C/C=C/COCC1CCCCCCC1 7a_100011216312_100102629194 [0,0,0,1,0,0|2,0,1]=4 10492 B14R1.1254 C=CCCCCN1CCCCCCC1 2230a_100000211400_100011215482 [0,0,0,1,0,0|2,0,0]=3 10493 B14R1.1254 C=CCCCCN1CCCCCCC1 269982a_100000211400_100011215482 [0,0,0,1,0,0|2,0,0]=3 10494 B14R1.1254 C=CCCCCN1CCCCCCC1 34a_100000211400_100011215482 [0,0,0,1,0,0|2,0,0]=3 10495 B14R1.1254 C=CCCCNC1CCCCCCC1 2230a_100000211152_100011713584 [0,0,0,1,0,0|2,0,0]=3 10496 B14R1.1254 C=CCCCNC1CCCCCCC1 270004a_100000700776_100000210524 [0,0,0,1,0,0|2,0,0]=3 10497 B14R1.1254 C=CCCCNC1CCCCCCC1 34a_100000211152_100000757094 [0,0,0,1,0,0|2,0,0]=3 10498 B14R1.1254 C=CCCCOC1CCCCCCC1 34a_100000210054_100000757094 [0,0,0,1,0,0|2,0,0]=3 10499 B14R1.1254 C=CCCCOC1CCCCCCC1 7a_100000210054_100000757094 [0,0,0,1,0,0|2,0,0]=3 10500 B14R1.1254 C=CCCOCC1CCCCCCC1 34a_100011216312_100000754431 [0,0,0,1,0,0|2,0,0]=3 10501 B14R1.1254 C=CCCOCC1CCCCCCC1 7a_100011216312_100000754431 [0,0,0,1,0,0|2,0,0]=3 10502 B14R1.1254 C=CCNCCC1CCCCCCC1 2230a_100011532352_100000210623 [0,0,0,1,0,0|2,0,0]=3 10503 B14R1.1254 C=CCNCCC1CCCCCCC1 34a_100011532352_100015514636 [0,0,0,1,0,0|2,0,0]=3 10504 B14R1.1254 C=COCCNC1CCCCCCC1 2230a_100000211152_100000039644 [0,0,0,1,0,0|3,0,0]=4 10505 B14R1.1254 C=COCCNC1CCCCCCC1 34a_100000211152_100000039644 [0,0,0,1,0,0|3,0,0]=4 10506 B14R1.1254 C=COCCOC1CCCCCCC1 34a_100000210054_100000039644 [0,0,0,1,0,0|3,0,0]=4 10507 B14R1.1254 C=COCCOC1CCCCCCC1 7a_100000210054_100000039644 [0,0,0,1,0,0|3,0,0]=4 10508 B14R1.1254 CC=CCOCC1CCCCCCC1 34a_100011216312_100000070051 [0,0,0,1,0,0|2,0,1]=4 10509 B14R1.1254 CC=CCOCC1CCCCCCC1 7a_100011216312_100000070051 [0,0,0,1,0,0|2,0,1]=4 10510 B14R1.1254 CCCCCCN1CCCCCCC1 2230a_100000211400_100000210314 [0,0,0,1,0,0|2,0,1]=4 10511 B14R1.1254 CCCCCCN1CCCCCCC1 269982a_100000211400_100000210757 [0,0,0,1,0,0|2,0,1]=4 10512 B14R1.1254 CCCCCCN1CCCCCCC1 34a_100000211400_100000210314 [0,0,0,1,0,0|2,0,1]=4 10513 B14R1.1254 CCCCCNC1CCCCCCC1 2230a_100000211152_100000210326 [0,0,0,1,0,0|2,0,1]=4 10514 B14R1.1254 CCCCCNC1CCCCCCC1 270004a_100000209983_100000210524 [0,0,0,1,0,0|2,0,1]=4 10515 B14R1.1254 CCCCCNC1CCCCCCC1 34a_100000211152_100000718602 [0,0,0,1,0,0|2,0,1]=4 10516 B14R1.1254 CCCCCOC1C=CCCCCC1 34a_100000688657_100000718602 [0,0,0,1,0,0|2,0,0]=3 10517 B14R1.1254 CCCCCOC1CCCCCCC1 34a_100000210054_100000718602 [0,0,0,1,0,0|2,0,1]=4 10518 B14R1.1254 CCCCCOC1CCCCCCC1 7a_100000210054_100000210326 [0,0,0,1,0,0|2,0,1]=4 10519 B14R1.1254 CCCCOCC1CCCCCCC1 34a_100011216312_100000210210 [0,0,0,1,0,0|2,0,1]=4 10520 B14R1.1254 CCCCOCC1CCCCCCC1 7a_100011216312_100000210211 [0,0,0,1,0,0|2,0,1]=4 10521 B14R1.1254 CCCNCCC1CCCCCCC1 2230a_100011532352_100000210303 [0,0,0,1,0,0|2,0,1]=4 10522 B14R1.1254 CCCNCCC1CCCCCCC1 34a_100011532352_100000210303 [0,0,0,1,0,0|2,0,1]=4 10523 B14R1.1254 CCOCCOC1C=CCCCCC1 34a_100000688657_100000210147 [0,0,0,1,0,0|3,0,0]=4 10524 B14R1.1254 CCSCCOC1C=CCCCCC1 34a_100000688657_100000757381 [0,0,0,1,0,0|3,0,0]=4 10525 B14R1.1254 COCCCCN1CCCCCCC1 2230a_100000211400_100000730899 [0,0,0,1,0,0|3,0,0]=4 10526 B14R1.1254 COCCCCN1CCCCCCC1 269982a_100000211400_100000730899 [0,0,0,1,0,0|3,0,0]=4 10527 B14R1.1254 COCCCCN1CCCCCCC1 34a_100000211400_100000755781 [0,0,0,1,0,0|3,0,0]=4 10528 B14R1.1254 COCCCNC1CCCCCCC1 2230a_100000211152_100000740836 [0,0,0,1,0,0|3,0,0]=4 10529 B14R1.1254 COCCCNC1CCCCCCC1 270004a_100150723488_100000210524 [0,0,0,1,0,0|3,0,0]=4 10530 B14R1.1254 COCCCNC1CCCCCCC1 34a_100000211152_100000740836 [0,0,0,1,0,0|3,0,0]=4 10531 B14R1.1254 COCCCOC1C=CCCCCC1 34a_100000688657_100000740836 [0,0,0,1,0,0|3,0,0]=4 10532 B14R1.1254 COCCCOC1CCCCCCC1 34a_100000210054_100000740836 [0,0,0,1,0,0|3,0,0]=4 10533 B14R1.1254 COCCCOC1CCCCCCC1 7a_100000210054_100000740836 [0,0,0,1,0,0|3,0,0]=4 10534 B14R1.1254 COCCOCC1CCCCCCC1 34a_100011216312_100011201679 [0,0,0,1,0,0|3,0,0]=4 10535 B14R1.1254 COCCOCC1CCCCCCC1 7a_100011216312_100000233755 [0,0,0,1,0,0|3,0,0]=4 10536 B14R1.1254 COCNCCC1CCCCCCC1 2230a_100011532352_100000766300 [0,0,0,1,0,0|3,0,0]=4 10537 B14R1.1254 CSCCCNC1CCCCCCC1 270004a_100000749238_100000210524 [0,0,0,1,0,0|3,0,0]=4 10538 B14R1.1254 CSCCOCC1CCCCCCC1 34a_100011216312_100000212216 [0,0,0,1,0,0|3,0,0]=4 10539 B14R1.1254 CSCCOCC1CCCCCCC1 7a_100011216312_100000212216 [0,0,0,1,0,0|3,0,0]=4 10540 B14R1.1254 CSCNCCC1CCCCCCC1 2230a_100011532352_100011218213 [0,0,0,1,0,0|3,0,0]=4 10541 B14R1.1254 CSCNCCC1CCCCCCC1 34a_100011532352_100011218213 [0,0,0,1,0,0|3,0,0]=4 10542 B14R1.1254 FCCCCCN1CCCCCCC1 2230a_100000211400_100000729378 [0,0,0,1,0,0|2,0,1]=4 10543 B14R1.1254 FCCCCCN1CCCCCCC1 269982a_100000211400_100000729378 [0,0,0,1,0,0|2,0,1]=4 10544 B14R1.1254 FCCCCCN1CCCCCCC1 34a_100000211400_100000729378 [0,0,0,1,0,0|2,0,1]=4 10545 B14R1.1254 FCCCCNC1CCCCCCC1 2230a_100000211152_100000729493 [0,0,0,1,0,0|2,0,1]=4 10546 B14R1.1254 FCCCCNC1CCCCCCC1 34a_100000211152_100000729493 [0,0,0,1,0,0|2,0,1]=4 10547 B14R1.1254 FCCCCOC1C=CCCCCC1 34a_100000688657_100000729493 [0,0,0,1,0,0|3,0,0]=4 10548 B14R1.1254 FCCCCOC1CCCCCCC1 34a_100000210054_100000729493 [0,0,0,1,0,0|2,0,1]=4 10549 B14R1.1254 FCCCCOC1CCCCCCC1 7a_100000210054_100000729493 [0,0,0,1,0,0|2,0,1]=4 10550 B14R1.1254 FCCCOCC1CCCCCCC1 34a_100011216312_100011934791 [0,0,0,1,0,0|2,0,1]=4 10551 B14R1.1254 FCCCOCC1CCCCCCC1 7a_100011216312_100011934791 [0,0,0,1,0,0|2,0,1]=4 10552 B14R1.1254 FCCNCCC1CCCCCCC1 2230a_100011532352_100011217306 [0,0,0,1,0,0|2,0,1]=4 10553 B14R1.1254 FCCNCCC1CCCCCCC1 34a_100011532352_100011217306 [0,0,0,1,0,0|2,0,1]=4 10554 B14R1.1254 N#CCCCCN1CCCCCCC1 2230a_100000211400_100000211819 [0,0,0,1,0,0|2,0,1]=4 10555 B14R1.1254 N#CCCCCN1CCCCCCC1 269982a_100000211400_100011219923 [0,0,0,1,0,0|2,0,1]=4 10556 B14R1.1254 N#CCCCNC1CCCCCCC1 2230a_100000211152_100000687738 [0,0,0,1,0,0|2,0,1]=4 10557 B14R1.1254 N#CCCCOC1CCCCCCC1 7a_100000210054_100000687738 [0,0,0,1,0,0|2,0,1]=4 10558 B14R1.1254 N#CCCOCC1CCCCCCC1 7a_100011216312_100000184422 [0,0,0,1,0,0|2,0,1]=4 10559 B14R1.1254 N#CCNCCC1CCCCCCC1 2230a_100011532352_100011215382 [0,0,0,1,0,0|2,0,1]=4 10560 B14R1.1254 O=CCCCCN1CCCCCCC1 2230a_100000211400_100000139335 [0,0,0,1,0,0|1,0,0]=2 10561 B14R1.1254 O=CCCCCN1CCCCCCC1 269982a_100000211400_100000139335 [0,0,0,1,0,0|1,0,0]=2 10562 B14R1.1254 O=CCCCNC1CCCCCCC1 2230a_100000211152_200011292268 [0,0,0,1,0,0|1,0,0]=2 10563 B14R1.1254 O=CCCCOC1CCCCCCC1 7a_100000210054_200011292268 [0,0,0,1,0,0|1,0,0]=2 10564 B14R1.1254 O=CCCCSC1CC/C=C\CCC1 62a_100021000466_200011292268 [0,0,0,1,0,0|1,0,2]=4 10565 B14R1.1254 O=CCCCSC1CC/C=C\CCC1 62a_200011292268_100021000466 [0,0,0,1,0,0|1,0,2]=4 10566 B14R1.1254 O=CCNCCC1CCCCCCC1 2230a_100011532352_200015260668 [0,0,0,1,0,0|1,0,0]=2 10567 B14R1.1254 O=CCNCCC1CCCCCCC1 34a_100011532352_200009817547 [0,0,0,1,0,0|1,0,0]=2 10568 B14R1.1254 OCCCCCN1CCCCCCC1 2230a_100000211400_100000746330 [0,0,0,1,0,0|1,0,2]=4 10569 B14R1.1254 OCCCCCN1CCCCCCC1 269982a_100000211400_100000746330 [0,0,0,1,0,0|1,0,2]=4 10570 B14R1.1254 OCCCCCN1CCCCCCC1 34a_100000211400_100000746330 [0,0,0,1,0,0|1,0,2]=4 10571 B14R1.1254 OCCCCNC1CCCCCCC1 2230a_100000211152_100000210776 [0,0,0,1,0,0|1,0,2]=4 10572 B14R1.1254 OCCCCNC1CCCCCCC1 270004a_100000750430_100000210524 [0,0,0,1,0,0|1,0,2]=4 10573 B14R1.1254 OCCCCNC1CCCCCCC1 34a_100000211152_100011216708 [0,0,0,1,0,0|1,0,2]=4 10574 B14R1.1254 OCCCCOC1C=CCCCCC1 34a_100000688657_100011216708 [0,0,0,1,0,0|3,0,0]=4 10575 B14R1.1254 OCCCCOC1CCCCCCC1 34a_100000210054_100011216708 [0,0,0,1,0,0|1,0,2]=4 10576 B14R1.1254 OCCCCOC1CCCCCCC1 7a_100000210054_100000210776 [0,0,0,1,0,0|1,0,2]=4 10577 B14R1.1254 OCCCOCC1CCCCCCC1 34a_100011216312_100000230001 [0,0,0,1,0,0|1,0,2]=4 10578 B14R1.1254 OCCCOCC1CCCCCCC1 7a_100011216312_100011215043 [0,0,0,1,0,0|1,0,2]=4 10579 B14R1.1254 OCCNCCC1CCCCCCC1 2230a_100011532352_100000211926 [0,0,0,1,0,0|1,0,2]=4 10580 B14R1.1254 OCCNCCC1CCCCCCC1 34a_100011532352_100000211926 [0,0,0,1,0,0|1,0,2]=4 10581 B14R1.2352 BrCCCCCOC1CCCCCC1 34a_100000746331_100011217769 [0,0,0,1,0,0|2,0,1]=4 10582 B14R1.2352 BrCCCCOCC1CCCCCC1 34a_100011216708_200000696569 [0,0,0,1,0,0|2,0,1]=4 10583 B14R1.2352 C#CCCCCCN1CCCCCC1 2230a_100000185865_100012094781 [0,0,0,1,0,0|2,0,1]=4 10584 B14R1.2352 C#CCCCCCN1CCCCCC1 269982a_100000185865_100012094781 [0,0,0,1,0,0|2,0,1]=4 10585 B14R1.2352 C#CCCCCCN1CCCCCC1 34a_100000185865_100012094781 [0,0,0,1,0,0|2,0,1]=4 10586 B14R1.2352 C#CCCCCNC1CCCCCC1 2230a_100000210984_100010269958 [0,0,0,1,0,0|2,0,1]=4 10587 B14R1.2352 C#CCCCCNC1CCCCCC1 34a_100000210984_100010269958 [0,0,0,1,0,0|2,0,1]=4 10588 B14R1.2352 C#CCCCCNC1CCCCCC1 34a_100000706060_100011217769 [0,0,0,1,0,0|2,0,1]=4 10589 B14R1.2352 C#CCCCCOC1CCCCCC1 34a_100000210887_100010269958 [0,0,0,1,0,0|2,0,1]=4 10590 B14R1.2352 C#CCCCCOC1CCCCCC1 34a_100000766709_100011217769 [0,0,0,1,0,0|2,0,1]=4 10591 B14R1.2352 C#CCCCCOC1CCCCCC1 7a_100000210887_100010269958 [0,0,0,1,0,0|2,0,1]=4 10592 B14R1.2352 C#CCCCCSC1CCCCCC1 62a_100010269958_100011217769 [0,0,0,1,0,0|2,0,1]=4 10593 B14R1.2352 C#CCCCCSC1CCCCCC1 62a_100011217769_100010269958 [0,0,0,1,0,0|2,0,1]=4 10594 B14R1.2352 C#CCCCNCC1CCCCCC1 2230a_100015204231_100000731252 [0,0,0,1,0,0|2,0,1]=4 10595 B14R1.2352 C#CCCCNCC1CCCCCC1 34a_100000718082_200000696569 [0,0,0,1,0,0|2,0,1]=4 10596 B14R1.2352 C#CCCCNCC1CCCCCC1 34a_100015204231_100000695029 [0,0,0,1,0,0|2,0,1]=4 10597 B14R1.2352 C#CCCCOCC1CCCCCC1 34a_100000215630_200000696569 [0,0,0,1,0,0|2,0,1]=4 10598 B14R1.2352 C#CCCCOCC1CCCCCC1 34a_100000699130_100000695029 [0,0,0,1,0,0|2,0,1]=4 10599 B14R1.2352 C#CCCCOCC1CCCCCC1 7a_100000215630_200000696569 [0,0,0,1,0,0|2,0,1]=4 10600 B14R1.2352 C#CCCCOCC1CCCCCC1 7a_100000699130_100011215417 [0,0,0,1,0,0|2,0,1]=4 10601 B14R1.2352 C#CCCCSCC1CCCCCC1 62a_100011215417_200000696569 [0,0,0,1,0,0|2,0,1]=4 10602 B14R1.2352 C#CCCCSCC1CCCCCC1 62a_200000696569_100011215417 [0,0,0,1,0,0|2,0,1]=4 10603 B14R1.2352 C#CCCNCCC1CCCCCC1 2230a_100011532351_100000688953 [0,0,0,1,0,0|2,0,1]=4 10604 B14R1.2352 C#CCCNCCC1CCCCCC1 34a_100011532351_100000688953 [0,0,0,1,0,0|2,0,1]=4 10605 B14R1.2352 C/C=C/CCOCC1CCCCCC1 34a_100016278192_200000696569 [0,0,0,1,0,0|2,0,1]=4 10606 B14R1.2352 C/C=C/CNCCC1CCCCCC1 34a_100011532351_100102629194 [0,0,0,1,0,0|2,0,1]=4 10607 B14R1.2352 C=CCCCCCN1CCCCCC1 2230a_100000185865_100000700193 [0,0,0,1,0,0|2,0,0]=3 10608 B14R1.2352 C=CCCCCCN1CCCCCC1 269982a_100000185865_100000700193 [0,0,0,1,0,0|2,0,0]=3 10609 B14R1.2352 C=CCCCCCN1CCCCCC1 34a_100000185865_100000700193 [0,0,0,1,0,0|2,0,0]=3 10610 B14R1.2352 C=CCCCCCN1CCCOCC1 2230a_100000685342_100000700193 [0,0,0,1,0,0|3,0,0]=4 10611 B14R1.2352 C=CCCCCCN1CCCOCC1 269982a_100000685342_100000700193 [0,0,0,1,0,0|3,0,0]=4 10612 B14R1.2352 C=CCCCCCN1CCCOCC1 34a_100000685342_100000700193 [0,0,0,1,0,0|3,0,0]=4 10613 B14R1.2352 C=CCCCCNC1CCCCCC1 2230a_100000210984_100011215482 [0,0,0,1,0,0|2,0,0]=3 10614 B14R1.2352 C=CCCCCNC1CCCCCC1 270004a_100000703577_100000210131 [0,0,0,1,0,0|2,0,0]=3 10615 B14R1.2352 C=CCCCCNC1CCCCCC1 34a_100000210984_100011215482 [0,0,0,1,0,0|2,0,0]=3 10616 B14R1.2352 C=CCCCCNC1CCCCCC1 34a_100000703577_100011217769 [0,0,0,1,0,0|2,0,0]=3 10617 B14R1.2352 C=CCCCCNC1CCCNCC1 270004a_100000703577_100015187895 [0,0,0,1,0,0|3,0,0]=4 10618 B14R1.2352 C=CCCCCOC1CCCCCC1 34a_100000210887_100011215482 [0,0,0,1,0,0|2,0,0]=3 10619 B14R1.2352 C=CCCCCOC1CCCCCC1 34a_100000766645_100011217769 [0,0,0,1,0,0|2,0,0]=3 10620 B14R1.2352 C=CCCCCOC1CCCCCC1 7a_100000210887_100011215482 [0,0,0,1,0,0|2,0,0]=3 10621 B14R1.2352 C=CCCCCSC1CCCCCC1 62a_100011215482_100011217769 [0,0,0,1,0,0|2,0,0]=3 10622 B14R1.2352 C=CCCCCSC1CCCCCC1 62a_100011217769_100011215482 [0,0,0,1,0,0|2,0,0]=3 10623 B14R1.2352 C=CCCCNCC1CCCCCC1 2230a_100000700776_200000696569 [0,0,0,1,0,0|2,0,0]=3 10624 B14R1.2352 C=CCCCNCC1CCCCCC1 2230a_100015204231_100011713584 [0,0,0,1,0,0|2,0,0]=3 10625 B14R1.2352 C=CCCCNCC1CCCCCC1 269862a_100000700776_200000763224 [0,0,0,1,0,0|2,0,0]=3 10626 B14R1.2352 C=CCCCNCC1CCCCCC1 34a_100000700776_200000696569 [0,0,0,1,0,0|2,0,0]=3 10627 B14R1.2352 C=CCCCNCC1CCCCCC1 34a_100015204231_100000757094 [0,0,0,1,0,0|2,0,0]=3 10628 B14R1.2352 C=CCCCOCC1CCCCCC1 34a_100000699130_100000757094 [0,0,0,1,0,0|2,0,0]=3 10629 B14R1.2352 C=CCCCOCC1CCCCCC1 34a_100000758997_200000696569 [0,0,0,1,0,0|2,0,0]=3 10630 B14R1.2352 C=CCCCOCC1CCCCCC1 7a_100000699130_100000757094 [0,0,0,1,0,0|2,0,0]=3 10631 B14R1.2352 C=CCCCOCC1CCCCCC1 7a_100000758997_200000696569 [0,0,0,1,0,0|2,0,0]=3 10632 B14R1.2352 C=CCCCSCC1CCCCCC1 62a_100011713584_200000696569 [0,0,0,1,0,0|2,0,0]=3 10633 B14R1.2352 C=CCCCSCC1CCCCCC1 62a_200000696569_100000757094 [0,0,0,1,0,0|2,0,0]=3 10634 B14R1.2352 C=CCCNCCC1CCCCCC1 2230a_100011532351_100000754431 [0,0,0,1,0,0|2,0,0]=3 10635 B14R1.2352 C=CCCNCCC1CCCCCC1 34a_100011532351_100000754431 [0,0,0,1,0,0|2,0,0]=3 10636 B14R1.2352 C=CCCOCCN1CCCCCC1 34a_100000238007_100000754431 [0,0,0,1,0,0|3,0,0]=4 10637 B14R1.2352 C=CCCSCCN1CCCCCC1 62a_100000722644_100000754431 [0,0,0,1,0,0|3,0,0]=4 10638 B14R1.2352 C=CCCSCCN1CCCCCC1 62a_100000754431_100000722644 [0,0,0,1,0,0|3,0,0]=4 10639 B14R1.2352 C=CCOCCCN1CCCCCC1 34a_100102886287_100015514636 [0,0,0,1,0,0|3,0,0]=4 10640 B14R1.2352 C=CCOCCCN1CCCCCC1 7a_100102886287_100015514636 [0,0,0,1,0,0|3,0,0]=4 10641 B14R1.2352 C=CCOCCOC1CCCCCC1 34a_100000037705_100011217769 [0,0,0,1,0,0|3,0,0]=4 10642 B14R1.2352 C=COCCCNC1CCCCCC1 270004a_100000210767_100000210131 [0,0,0,1,0,0|3,0,0]=4 10643 B14R1.2352 C=COCCCNC1CCCCCC1 34a_100000210767_100011217769 [0,0,0,1,0,0|3,0,0]=4 10644 B14R1.2352 C=COCCNCC1CCCCCC1 2230a_100015204231_100000039644 [0,0,0,1,0,0|3,0,0]=4 10645 B14R1.2352 C=COCCNCC1CCCCCC1 34a_100015204231_100000039644 [0,0,0,1,0,0|3,0,0]=4 10646 B14R1.2352 C=COCCOCC1CCCCCC1 34a_100000033082_200000696569 [0,0,0,1,0,0|3,0,0]=4 10647 B14R1.2352 C=COCCOCC1CCCCCC1 34a_100000699130_100000039644 [0,0,0,1,0,0|3,0,0]=4 10648 B14R1.2352 C=COCCOCC1CCCCCC1 7a_100000699130_100000039644 [0,0,0,1,0,0|3,0,0]=4 10649 B14R1.2352 C=COCCSCC1CCCCCC1 62a_100000039644_200000696569 [0,0,0,1,0,0|3,0,0]=4 10650 B14R1.2352 C=COCCSCC1CCCCCC1 62a_200000696569_100000039644 [0,0,0,1,0,0|3,0,0]=4 10651 B14R1.2352 CC=CCCCOC1CCCCCC1 34a_100020645299_100011217769 [0,0,0,1,0,0|2,0,1]=4 10652 B14R1.2352 CC=CCNCCC1CCCCCC1 2230a_100011532351_100000070051 [0,0,0,1,0,0|2,0,1]=4 10653 B14R1.2352 CC=CCNCCC1CCCCCC1 34a_100011532351_100000070051 [0,0,0,1,0,0|2,0,1]=4 10654 B14R1.2352 CCCCCCCN1CCCCCC1 2230a_100000185865_100000210681 [0,0,0,1,0,0|2,0,1]=4 10655 B14R1.2352 CCCCCCCN1CCCCCC1 269982a_100000185865_100000210681 [0,0,0,1,0,0|2,0,1]=4 10656 B14R1.2352 CCCCCCCN1CCCCCC1 34a_100000185865_100000210614 [0,0,0,1,0,0|2,0,1]=4 10657 B14R1.2352 CCCCCCNC1CCCCCC1 2230a_100000210984_100000210314 [0,0,0,1,0,0|2,0,1]=4 10658 B14R1.2352 CCCCCCNC1CCCCCC1 270004a_100000210581_100000210131 [0,0,0,1,0,0|2,0,1]=4 10659 B14R1.2352 CCCCCCNC1CCCCCC1 34a_100000210984_100000210314 [0,0,0,1,0,0|2,0,1]=4 10660 B14R1.2352 CCCCCCOC1CCCCCC1 34a_100000210259_100011217769 [0,0,0,1,0,0|2,0,1]=4 10661 B14R1.2352 CCCCCCOC1CCCCCC1 34a_100000210887_100000210314 [0,0,0,1,0,0|2,0,1]=4 10662 B14R1.2352 CCCCCCOC1CCCCCC1 7a_100000210887_100000210314 [0,0,0,1,0,0|2,0,1]=4 10663 B14R1.2352 CCCCCCSC1CCCCCC1 62a_100000210314_100011217769 [0,0,0,1,0,0|2,0,1]=4 10664 B14R1.2352 CCCCCCSC1CCCCCC1 62a_100011217769_100000210757 [0,0,0,1,0,0|2,0,1]=4 10665 B14R1.2352 CCCCCNCC1CCCCCC1 2230a_100000209983_200000696569 [0,0,0,1,0,0|2,0,1]=4 10666 B14R1.2352 CCCCCNCC1CCCCCC1 2230a_100015204231_100000210326 [0,0,0,1,0,0|2,0,1]=4 10667 B14R1.2352 CCCCCNCC1CCCCCC1 269862a_100000209983_200000763224 [0,0,0,1,0,0|2,0,1]=4 10668 B14R1.2352 CCCCCNCC1CCCCCC1 34a_100015204231_100000718602 [0,0,0,1,0,0|2,0,1]=4 10669 B14R1.2352 CCCCCOCC1CCCCCC1 34a_100000210253_200000696569 [0,0,0,1,0,0|2,0,1]=4 10670 B14R1.2352 CCCCCOCC1CCCCCC1 34a_100000699130_100000718602 [0,0,0,1,0,0|2,0,1]=4 10671 B14R1.2352 CCCCCOCC1CCCCCC1 7a_100000210253_200000696569 [0,0,0,1,0,0|2,0,1]=4 10672 B14R1.2352 CCCCCOCC1CCCCCC1 7a_100000699130_100000210326 [0,0,0,1,0,0|2,0,1]=4 10673 B14R1.2352 CCCCCSCC1CCCCCC1 62a_100000210326_200000696569 [0,0,0,1,0,0|2,0,1]=4 10674 B14R1.2352 CCCCCSCC1CCCCCC1 62a_200000696569_100000210326 [0,0,0,1,0,0|2,0,1]=4 10675 B14R1.2352 CCCCNCCC1CCCCCC1 2230a_100011532351_100000210211 [0,0,0,1,0,0|2,0,1]=4 10676 B14R1.2352 CCCCNCCC1CCCCCC1 34a_100011532351_100000210210 [0,0,0,1,0,0|2,0,1]=4 10677 B14R1.2352 CNCCCOCC1CCCCCC1 34a_100000213112_200000696569 [0,0,0,1,0,0|3,0,0]=4 10678 B14R1.2352 COCCCCNC1CCCCCC1 2230a_100000210984_100000730899 [0,0,0,1,0,0|3,0,0]=4 10679 B14R1.2352 COCCCCNC1CCCCCC1 34a_100000210984_100000755781 [0,0,0,1,0,0|3,0,0]=4 10680 B14R1.2352 COCCCCOC1CCCCCC1 34a_100000210887_100000755781 [0,0,0,1,0,0|3,0,0]=4 10681 B14R1.2352 COCCCCOC1CCCCCC1 34a_100000740925_100011217769 [0,0,0,1,0,0|3,0,0]=4 10682 B14R1.2352 COCCCCOC1CCCCCC1 7a_100000210887_100000730899 [0,0,0,1,0,0|3,0,0]=4 10683 B14R1.2352 COCCCCSC1CCCCCC1 62a_100000730899_100011217769 [0,0,0,1,0,0|3,0,0]=4 10684 B14R1.2352 COCCCCSC1CCCCCC1 62a_100011217769_100000730899 [0,0,0,1,0,0|3,0,0]=4 10685 B14R1.2352 COCCCNCC1CCCCCC1 2230a_100015204231_100000740836 [0,0,0,1,0,0|3,0,0]=4 10686 B14R1.2352 COCCCNCC1CCCCCC1 269862a_100150723488_200000763224 [0,0,0,1,0,0|3,0,0]=4 10687 B14R1.2352 COCCCNCC1CCCCCC1 34a_100015204231_100000740836 [0,0,0,1,0,0|3,0,0]=4 10688 B14R1.2352 COCCCNCC1CCCCCC1 34a_100150723488_200000696569 [0,0,0,1,0,0|3,0,0]=4 10689 B14R1.2352 COCCCOCC1CCCCCC1 34a_100000699130_100000740836 [0,0,0,1,0,0|3,0,0]=4 10690 B14R1.2352 COCCCOCC1CCCCCC1 34a_100000740835_200000696569 [0,0,0,1,0,0|3,0,0]=4 10691 B14R1.2352 COCCCOCC1CCCCCC1 7a_100000699130_100000740836 [0,0,0,1,0,0|3,0,0]=4 10692 B14R1.2352 COCCCSCC1CCCCCC1 62a_100000709357_200000696569 [0,0,0,1,0,0|3,0,0]=4 10693 B14R1.2352 COCCCSCC1CCCCCC1 62a_200000696569_100000709357 [0,0,0,1,0,0|3,0,0]=4 10694 B14R1.2352 COCCNCCC1CCCCCC1 2230a_100011532351_100011201679 [0,0,0,1,0,0|3,0,0]=4 10695 B14R1.2352 COCCNCCC1CCCCCC1 34a_100011532351_100011201679 [0,0,0,1,0,0|3,0,0]=4 10696 B14R1.2352 CSCCCCOC1CCCCCC1 34a_100011217163_100011217769 [0,0,0,1,0,0|3,0,0]=4 10697 B14R1.2352 CSCCCNCC1CCCCCC1 2230a_100000749238_200000696569 [0,0,0,1,0,0|3,0,0]=4 10698 B14R1.2352 CSCCCNCC1CCCCCC1 269862a_100000749238_200000763224 [0,0,0,1,0,0|3,0,0]=4 10699 B14R1.2352 CSCCCOCC1CCCCCC1 34a_100000690336_200000696569 [0,0,0,1,0,0|3,0,0]=4 10700 B14R1.2352 CSCCCOCC1CCCCCC1 7a_100000690336_200000696569 [0,0,0,1,0,0|3,0,0]=4 10701 B14R1.2352 CSCCNCCC1CCCCCC1 2230a_100011532351_100000751147 [0,0,0,1,0,0|3,0,0]=4 10702 B14R1.2352 CSCCNCCC1CCCCCC1 34a_100011532351_100000212216 [0,0,0,1,0,0|3,0,0]=4 10703 B14R1.2352 ClCCCCCOC1CCCCCC1 34a_100000746330_100011217769 [0,0,0,1,0,0|2,0,1]=4 10704 B14R1.2352 ClCCCCOCC1CCCCCC1 34a_100000210776_200000696569 [0,0,0,1,0,0|2,0,1]=4 10705 B14R1.2352 ClCCCCOCC1CCCCCC1 7a_100000210776_200000696569 [0,0,0,1,0,0|2,0,1]=4 10706 B14R1.2352 FCCCCCCN1CCCCCC1 2230a_100000185865_100015922095 [0,0,0,1,0,0|2,0,1]=4 10707 B14R1.2352 FCCCCCCN1CCCCCC1 269982a_100000185865_100015922095 [0,0,0,1,0,0|2,0,1]=4 10708 B14R1.2352 FCCCCCCN1CCCCCC1 34a_100000185865_100015922095 [0,0,0,1,0,0|2,0,1]=4 10709 B14R1.2352 FCCCCCNC1CCCCCC1 2230a_100000210984_100000729378 [0,0,0,1,0,0|2,0,1]=4 10710 B14R1.2352 FCCCCCNC1CCCCCC1 34a_100000210984_100000729378 [0,0,0,1,0,0|2,0,1]=4 10711 B14R1.2352 FCCCCCOC1CCCCCC1 34a_100000210887_100000729378 [0,0,0,1,0,0|2,0,1]=4 10712 B14R1.2352 FCCCCCOC1CCCCCC1 7a_100000210887_100000729378 [0,0,0,1,0,0|2,0,1]=4 10713 B14R1.2352 FCCCCCSC1CCCCCC1 62a_100000729378_100011217769 [0,0,0,1,0,0|2,0,1]=4 10714 B14R1.2352 FCCCCCSC1CCCCCC1 62a_100011217769_100000729378 [0,0,0,1,0,0|2,0,1]=4 10715 B14R1.2352 FCCCCNCC1CCCCCC1 2230a_100015204231_100000729493 [0,0,0,1,0,0|2,0,1]=4 10716 B14R1.2352 FCCCCNCC1CCCCCC1 34a_100015204231_100000729493 [0,0,0,1,0,0|2,0,1]=4 10717 B14R1.2352 FCCCCOCC1CCCCCC1 34a_100000699130_100000729493 [0,0,0,1,0,0|2,0,1]=4 10718 B14R1.2352 FCCCCOCC1CCCCCC1 34a_100011995726_200000696569 [0,0,0,1,0,0|2,0,1]=4 10719 B14R1.2352 FCCCCOCC1CCCCCC1 7a_100000699130_100000729493 [0,0,0,1,0,0|2,0,1]=4 10720 B14R1.2352 FCCCCOCC1CCCCCC1 7a_100011995726_200000696569 [0,0,0,1,0,0|2,0,1]=4 10721 B14R1.2352 FCCCCSCC1CCCCCC1 62a_100000729493_200000696569 [0,0,0,1,0,0|2,0,1]=4 10722 B14R1.2352 FCCCCSCC1CCCCCC1 62a_200000696569_100000729493 [0,0,0,1,0,0|2,0,1]=4 10723 B14R1.2352 FCCCNCCC1CCCCCC1 2230a_100011532351_100011934791 [0,0,0,1,0,0|2,0,1]=4 10724 B14R1.2352 FCCCNCCC1CCCCCC1 34a_100011532351_100011934791 [0,0,0,1,0,0|2,0,1]=4 10725 B14R1.2352 ICCCCCOC1CCCCCC1 34a_200012148887_100011217769 [0,0,0,1,0,0|2,0,1]=4 10726 B14R1.2352 ICCCCOCC1CCCCCC1 34a_200012148704_200000696569 [0,0,0,1,0,0|2,0,1]=4 10727 B14R1.2352 N#CCCCCCN1CCCCCC1 2230a_100000185865_100009813376 [0,0,0,1,0,0|2,0,1]=4 10728 B14R1.2352 N#CCCCCCN1CCCCCC1 269982a_100000185865_100009813376 [0,0,0,1,0,0|2,0,1]=4 10729 B14R1.2352 N#CCCCCNC1CCCCCC1 2230a_100000210984_100000211819 [0,0,0,1,0,0|2,0,1]=4 10730 B14R1.2352 N#CCCCCNC1CCCCCC1 270004a_100000751965_100000210131 [0,0,0,1,0,0|2,0,1]=4 10731 B14R1.2352 N#CCCCCOC1CCCCCC1 7a_100000210887_100000211819 [0,0,0,1,0,0|2,0,1]=4 10732 B14R1.2352 N#CCCCCSC1CCCCCC1 62a_100011217769_100000211819 [0,0,0,1,0,0|2,0,1]=4 10733 B14R1.2352 N#CCCCCSC1CCCCCC1 62a_100011219923_100011217769 [0,0,0,1,0,0|2,0,1]=4 10734 B14R1.2352 N#CCCCNCC1CCCCCC1 2230a_100015204231_100000687738 [0,0,0,1,0,0|2,0,1]=4 10735 B14R1.2352 N#CCCCOCC1CCCCCC1 7a_100000699130_100000687738 [0,0,0,1,0,0|2,0,1]=4 10736 B14R1.2352 N#CCCCSCC1CCCCCC1 62a_100000687738_200000696569 [0,0,0,1,0,0|2,0,1]=4 10737 B14R1.2352 N#CCCCSCC1CCCCCC1 62a_200000696569_100000687738 [0,0,0,1,0,0|2,0,1]=4 10738 B14R1.2352 N#CCCNCCC1CCCCCC1 2230a_100011532351_100011215226 [0,0,0,1,0,0|2,0,1]=4 10739 B14R1.2352 NCCCCCOC1CCCCCC1 34a_100000762737_100011217769 [0,0,0,1,0,0|2,0,1]=4 10740 B14R1.2352 NCCCCOCC1CCCCCC1 34a_100000750430_200000696569 [0,0,0,1,0,0|2,0,1]=4 10741 B14R1.2352 O=CCCCCCN1CCCCCC1 2230a_100000185865_100000139337 [0,0,0,1,0,0|1,0,0]=2 10742 B14R1.2352 O=CCCCCCN1CCCCCC1 269982a_100000185865_100000139337 [0,0,0,1,0,0|1,0,0]=2 10743 B14R1.2352 O=CCCCCCN1CCCOCC1 2230a_100000685342_100000139337 [0,0,0,1,0,0|2,0,0]=3 10744 B14R1.2352 O=CCCCCCN1CCCOCC1 269982a_100000685342_100000139337 [0,0,0,1,0,0|2,0,0]=3 10745 B14R1.2352 O=CCCCCNC1CCCCCC1 2230a_100000210984_100000139335 [0,0,0,1,0,0|1,0,0]=2 10746 B14R1.2352 O=CCCCCOC1CCCCCC1 7a_100000210887_100000139335 [0,0,0,1,0,0|1,0,0]=2 10747 B14R1.2352 O=CCCCCSC1CCCCCC1 62a_100000139335_100011217769 [0,0,0,1,0,0|1,0,0]=2 10748 B14R1.2352 O=CCCCCSC1CCCCCC1 62a_100011217769_100000139335 [0,0,0,1,0,0|1,0,0]=2 10749 B14R1.2352 O=CCCCNCC1CCCCCC1 2230a_100015204231_200011292268 [0,0,0,1,0,0|1,0,0]=2 10750 B14R1.2352 O=CCCCOCC1CCCCCC1 7a_100000699130_200011292268 [0,0,0,1,0,0|1,0,0]=2 10751 B14R1.2352 O=CCCCSCC1CCCCCC1 62a_200000696569_200011292268 [0,0,0,1,0,0|1,0,0]=2 10752 B14R1.2352 O=CCCCSCC1CCCCCC1 62a_200011292268_200000696569 [0,0,0,1,0,0|1,0,0]=2 10753 B14R1.2352 O=CCOCCCN1CCCCCC1 34a_100102886287_200009817547 [0,0,0,1,0,0|2,0,0]=3 10754 B14R1.2352 O=CCOCCCN1CCCCCC1 7a_100102886287_200015260668 [0,0,0,1,0,0|2,0,0]=3 10755 B14R1.2352 OCCCCCCN1CCCCCC1 2230a_100000185865_100000766143 [0,0,0,1,0,0|1,0,2]=4 10756 B14R1.2352 OCCCCCCN1CCCCCC1 269982a_100000185865_100000766143 [0,0,0,1,0,0|1,0,2]=4 10757 B14R1.2352 OCCCCCCN1CCCCCC1 34a_100000185865_100000766143 [0,0,0,1,0,0|1,0,2]=4 10758 B14R1.2352 OCCCCCNC1CCCCCC1 2230a_100000210984_100000746330 [0,0,0,1,0,0|1,0,2]=4 10759 B14R1.2352 OCCCCCNC1CCCCCC1 270004a_100000762737_100000210131 [0,0,0,1,0,0|1,0,2]=4 10760 B14R1.2352 OCCCCCNC1CCCCCC1 34a_100000210984_100000746330 [0,0,0,1,0,0|1,0,2]=4 10761 B14R1.2352 OCCCCCNC1CCCCCC1 34a_100000762737_100011217769 [0,0,0,1,0,0|1,0,2]=4 10762 B14R1.2352 OCCCCCOC1CCCCCC1 34a_100000210887_100000746330 [0,0,0,1,0,0|1,0,2]=4 10763 B14R1.2352 OCCCCCOC1CCCCCC1 7a_100000210887_100000746330 [0,0,0,1,0,0|1,0,2]=4 10764 B14R1.2352 OCCCCCSC1CCCCCC1 62a_100000746330_100011217769 [0,0,0,1,0,0|1,0,2]=4 10765 B14R1.2352 OCCCCCSC1CCCCCC1 62a_100011217769_100000746330 [0,0,0,1,0,0|1,0,2]=4 10766 B14R1.2352 OCCCCNCC1CCCCCC1 2230a_100000750430_200000696569 [0,0,0,1,0,0|1,0,2]=4 10767 B14R1.2352 OCCCCNCC1CCCCCC1 2230a_100015204231_100000210776 [0,0,0,1,0,0|1,0,2]=4 10768 B14R1.2352 OCCCCNCC1CCCCCC1 269862a_100000750430_200000763224 [0,0,0,1,0,0|1,0,2]=4 10769 B14R1.2352 OCCCCNCC1CCCCCC1 34a_100000750430_200000696569 [0,0,0,1,0,0|1,0,2]=4 10770 B14R1.2352 OCCCCNCC1CCCCCC1 34a_100015204231_100011216708 [0,0,0,1,0,0|1,0,2]=4 10771 B14R1.2352 OCCCCOCC1CCCCCC1 34a_100000699130_100011216708 [0,0,0,1,0,0|1,0,2]=4 10772 B14R1.2352 OCCCCOCC1CCCCCC1 7a_100000699130_100000210776 [0,0,0,1,0,0|1,0,2]=4 10773 B14R1.2352 OCCCCSCC1CCCCCC1 62a_100000210776_200000696569 [0,0,0,1,0,0|1,0,2]=4 10774 B14R1.2352 OCCCCSCC1CCCCCC1 62a_200000696569_100000210776 [0,0,0,1,0,0|1,0,2]=4 10775 B14R1.2352 OCCCNCCC1CCCCCC1 2230a_100011532351_100000230001 [0,0,0,1,0,0|1,0,2]=4 10776 B14R1.2352 OCCCNCCC1CCCCCC1 34a_100011532351_100000230001 [0,0,0,1,0,0|1,0,2]=4 10777 B14R1.3128 C=CCCCCCN1CCC1COC 2230a_100015195929_100000700193 [0,0,0,1,0,0|3,0,0]=4 10778 B14R1.3128 C=CCCCCCN1CCC1COC 269982a_100015195929_100000700193 [0,0,0,1,0,0|3,0,0]=4 10779 B14R1.3128 C=CCCCCCN1CCC1COC 34a_100015195929_100000700193 [0,0,0,1,0,0|3,0,0]=4 10780 B14R1.3128 CCCCCCCN1CCC1COC 2230a_100015195929_100000210681 [0,0,0,1,0,0|3,0,0]=4 10781 B14R1.3128 CCCCCCCN1CCC1COC 269982a_100015195929_100000210681 [0,0,0,1,0,0|3,0,0]=4 10782 B14R1.3128 CCCCCCCN1CCC1COC 34a_100015195929_100000210614 [0,0,0,1,0,0|3,0,0]=4 10783 B14R1.3128 COCC1CCN1CCCCCC=O 2230a_100015195929_100000139337 [0,0,0,1,0,0|2,0,0]=3 10784 B14R1.3128 COCC1CCN1CCCCCC=O 269982a_100015195929_100000139337 [0,0,0,1,0,0|2,0,0]=3 10785 B14R1.6533 C#CCCCN1CCCCCCCC1 2230a_100000039187_100000731252 [0,0,0,1,0,0|2,0,1]=4 10786 B14R1.6533 C#CCCCN1CCCCCCCC1 269982a_100000039187_100011215417 [0,0,0,1,0,0|2,0,1]=4 10787 B14R1.6533 C#CCCCN1CCCCCCCC1 34a_100000039187_100000695029 [0,0,0,1,0,0|2,0,1]=4 10788 B14R1.6533 C=CCCCN1CCCCCCCC1 2230a_100000039187_100011713584 [0,0,0,1,0,0|2,0,0]=3 10789 B14R1.6533 C=CCCCN1CCCCCCCC1 269982a_100000039187_100000757094 [0,0,0,1,0,0|2,0,0]=3 10790 B14R1.6533 C=CCCCN1CCCCCCCC1 34a_100000039187_100000757094 [0,0,0,1,0,0|2,0,0]=3 10791 B14R1.6533 C=CCCNC1CCCCCCCC1 270004a_100015191253_100000038600 [0,0,0,1,0,0|2,0,0]=3 10792 B14R1.6533 C=COCCN1CCCCCCCC1 2230a_100000039187_100000039644 [0,0,0,1,0,0|3,0,0]=4 10793 B14R1.6533 C=COCCN1CCCCCCCC1 269982a_100000039187_100000039644 [0,0,0,1,0,0|3,0,0]=4 10794 B14R1.6533 C=COCCN1CCCCCCCC1 34a_100000039187_100000039644 [0,0,0,1,0,0|3,0,0]=4 10795 B14R1.6533 CCCCCN1CCCCCCCC1 2230a_100000039187_100000210326 [0,0,0,1,0,0|2,0,1]=4 10796 B14R1.6533 CCCCCN1CCCCCCCC1 269982a_100000039187_100000210215 [0,0,0,1,0,0|2,0,1]=4 10797 B14R1.6533 CCCCCN1CCCCCCCC1 34a_100000039187_100000718602 [0,0,0,1,0,0|2,0,1]=4 10798 B14R1.6533 CCCCNC1CCCCCCCC1 270004a_100000102301_100000038600 [0,0,0,1,0,0|2,0,1]=4 10799 B14R1.6533 COCCCN1CCCCCCCC1 2230a_100000039187_100000740836 [0,0,0,1,0,0|3,0,0]=4 10800 B14R1.6533 COCCCN1CCCCCCCC1 269982a_100000039187_100000740836 [0,0,0,1,0,0|3,0,0]=4 10801 B14R1.6533 COCCCN1CCCCCCCC1 34a_100000039187_100000740836 [0,0,0,1,0,0|3,0,0]=4 10802 B14R1.6533 COCCNC1CCCCCCCC1 270004a_100000209980_100000038600 [0,0,0,1,0,0|3,0,0]=4 10803 B14R1.6533 CSCCNC1CCCCCCCC1 270004a_100020590264_100000038600 [0,0,0,1,0,0|3,0,0]=4 10804 B14R1.6533 FCCCCN1CCCCCCCC1 2230a_100000039187_100000729493 [0,0,0,1,0,0|2,0,1]=4 10805 B14R1.6533 FCCCCN1CCCCCCCC1 269982a_100000039187_100000729493 [0,0,0,1,0,0|2,0,1]=4 10806 B14R1.6533 FCCCCN1CCCCCCCC1 34a_100000039187_100000729493 [0,0,0,1,0,0|2,0,1]=4 10807 B14R1.6533 FCCCNC1CCCCCCCC1 270004a_100015189416_100000038600 [0,0,0,1,0,0|2,0,1]=4 10808 B14R1.6533 N#CCCCN1CCCCCCCC1 2230a_100000039187_100000687738 [0,0,0,1,0,0|2,0,1]=4 10809 B14R1.6533 N#CCCCN1CCCCCCCC1 269982a_100000039187_100000687738 [0,0,0,1,0,0|2,0,1]=4 10810 B14R1.6533 N#CCCNC1CCCCCCCC1 270004a_100000720768_100000038600 [0,0,0,1,0,0|2,0,1]=4 10811 B14R1.6533 O=CCCCN1CCCCCCCC1 2230a_100000039187_200011292268 [0,0,0,1,0,0|1,0,0]=2 10812 B14R1.6533 O=CCCCN1CCCCCCCC1 269982a_100000039187_200011292268 [0,0,0,1,0,0|1,0,0]=2 10813 B14R1.6533 OCCCCN1CCCCCCCC1 2230a_100000039187_100000210776 [0,0,0,1,0,0|1,0,2]=4 10814 B14R1.6533 OCCCCN1CCCCCCCC1 269982a_100000039187_100000210776 [0,0,0,1,0,0|1,0,2]=4 10815 B14R1.6533 OCCCCN1CCCCCCCC1 34a_100000039187_100011216708 [0,0,0,1,0,0|1,0,2]=4 10816 B14R1.6533 OCCCNC1CCCCCCCC1 270004a_100000182051_100000038600 [0,0,0,1,0,0|1,0,2]=4 10817 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [2,0,0,0,0,0|1,0,1]=4 10818 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [2,0,0,0,0,0|1,0,1]=4 10819 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [2,0,0,0,0,0|1,0,1]=4 10820 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [2,0,0,0,0,0|1,0,1]=4 10821 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [2,0,0,0,0,0|1,0,1]=4 10822 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [2,0,0,0,0,0|1,0,1]=4 10823 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [2,0,0,0,0,0|1,0,1]=4 10824 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [2,0,0,0,0,0|1,0,1]=4 10825 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [2,0,0,0,0,0|1,0,1]=4 10826 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [2,0,0,0,0,0|1,0,1]=4 10827 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [2,0,0,0,0,0|1,0,1]=4 10828 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [2,0,0,0,0,0|1,0,1]=4 10829 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [2,0,0,0,0,0|1,0,1]=4 10830 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [2,0,0,0,0,0|1,0,1]=4 10831 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [2,0,0,0,0,0|1,0,1]=4 10832 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [2,0,0,0,0,0|1,0,1]=4 10833 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [2,0,0,0,0,0|1,0,1]=4 10834 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [2,0,0,0,0,0|1,0,1]=4 10835 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [2,0,0,0,0,0|1,0,1]=4 10836 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [2,0,0,0,0,0|1,0,1]=4 10837 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [2,0,0,0,0,0|1,0,1]=4 10838 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [2,0,0,0,0,0|1,0,1]=4 10839 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [2,0,0,0,0,0|1,0,1]=4 10840 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [2,0,0,0,0,0|1,0,1]=4 10841 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [2,0,0,0,0,0|1,0,1]=4 10842 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [2,0,0,0,0,0|1,0,1]=4 10843 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [2,0,0,0,0,0|1,0,1]=4 10844 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [2,0,0,0,0,0|1,0,1]=4 10845 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [2,0,0,0,0,0|1,0,1]=4 10846 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [2,0,0,0,0,0|1,0,1]=4 10847 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [2,0,0,0,0,0|1,0,1]=4 10848 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [2,0,0,0,0,0|1,0,1]=4 10849 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [2,0,0,0,0,0|1,0,1]=4 10850 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [2,0,0,0,0,0|1,0,1]=4 10851 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [2,0,0,0,0,0|1,0,1]=4 10852 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [2,0,0,0,0,0|1,0,1]=4 10853 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [2,0,0,0,0,0|1,0,1]=4 10854 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [2,0,0,0,0,0|1,0,1]=4 10855 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [2,0,0,0,0,0|1,0,1]=4 10856 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [2,0,0,0,0,0|1,0,1]=4 10857 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [2,0,0,0,0,0|1,0,1]=4 10858 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [2,0,0,0,0,0|1,0,1]=4 10859 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [2,0,0,0,0,0|1,0,1]=4 10860 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [2,0,0,0,0,0|1,0,1]=4 10861 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [2,0,0,0,0,0|1,0,1]=4 10862 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [2,0,0,0,0,0|1,0,1]=4 10863 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [2,0,0,0,0,0|1,0,1]=4 10864 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [2,0,0,0,0,0|1,0,1]=4 10865 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [2,0,0,0,0,0|1,0,1]=4 10866 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [2,0,0,0,0,0|1,0,1]=4 10867 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [2,0,0,0,0,0|1,0,1]=4 10868 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [2,0,0,0,0,0|1,0,1]=4 10869 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [2,0,0,0,0,0|1,0,1]=4 10870 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [2,0,0,0,0,0|1,0,1]=4 10871 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [2,0,0,0,0,0|1,0,1]=4 10872 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [2,0,0,0,0,0|1,0,1]=4 10873 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [2,0,0,0,0,0|1,0,1]=4 10874 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [2,0,0,0,0,0|1,0,1]=4 10875 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [2,0,0,0,0,0|1,0,1]=4 10876 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [2,0,0,0,0,0|1,0,1]=4 10877 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [2,0,0,0,0,0|1,0,1]=4 10878 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [2,0,0,0,0,0|1,0,1]=4 10879 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [2,0,0,0,0,0|1,0,1]=4 10880 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [2,0,0,0,0,0|1,0,1]=4 10881 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [2,0,0,0,0,0|1,0,0]=3 10882 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [2,0,0,0,0,0|1,0,0]=3 10883 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [2,0,0,0,0,0|1,0,0]=3 10884 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [2,0,0,0,0,0|1,0,0]=3 10885 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [2,0,0,0,0,0|1,0,0]=3 10886 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [2,0,0,0,0,0|1,0,0]=3 10887 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [2,0,0,0,0,0|1,0,0]=3 10888 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [2,0,0,0,0,0|1,0,0]=3 10889 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [2,0,0,0,0,0|1,0,0]=3 10890 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [2,0,0,0,0,0|1,0,0]=3 10891 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [2,0,0,0,0,0|1,0,0]=3 10892 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [2,0,0,0,0,0|1,0,0]=3 10893 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [2,0,0,0,0,0|1,0,0]=3 10894 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [2,0,0,0,0,0|1,0,0]=3 10895 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [2,0,0,0,0,0|1,0,0]=3 10896 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [2,0,0,0,0,0|1,0,0]=3 10897 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [2,0,0,0,0,0|1,0,0]=3 10898 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [2,0,0,0,0,0|2,0,0]=4 10899 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [2,0,0,0,0,0|1,0,0]=3 10900 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [2,0,0,0,0,0|1,0,0]=3 10901 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [2,0,0,0,0,0|1,0,0]=3 10902 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [2,0,0,0,0,0|2,0,0]=4 10903 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [2,0,0,0,0,0|2,0,0]=4 10904 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [2,0,0,0,0,0|1,0,0]=3 10905 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [2,0,0,0,0,0|2,0,0]=4 10906 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [2,0,0,0,0,0|1,0,0]=3 10907 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [2,0,0,0,0,0|1,0,0]=3 10908 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [2,0,0,0,0,0|1,0,0]=3 10909 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [2,0,0,0,0,0|1,0,0]=3 10910 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [2,0,0,0,0,0|2,0,0]=4 10911 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [2,0,0,0,0,0|2,0,0]=4 10912 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [2,0,0,0,0,0|2,0,0]=4 10913 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [2,0,0,0,0,0|1,0,1]=4 10914 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [2,0,0,0,0,0|1,0,1]=4 10915 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [2,0,0,0,0,0|1,0,1]=4 10916 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [2,0,0,0,0,0|1,0,1]=4 10917 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [2,0,0,0,0,0|2,0,0]=4 10918 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [2,0,0,0,0,0|2,0,0]=4 10919 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [2,0,0,0,0,0|2,0,0]=4 10920 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [2,0,0,0,0,0|1,0,0]=3 10921 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [2,0,0,0,0,0|1,0,0]=3 10922 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [2,0,0,0,0,0|2,0,0]=4 10923 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [2,0,0,0,0,0|1,0,0]=3 10924 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [2,0,0,0,0,0|1,0,0]=3 10925 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [2,0,0,0,0,0|1,0,0]=3 10926 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [2,0,0,0,0,0|2,0,0]=4 10927 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [2,0,0,0,0,0|2,0,0]=4 10928 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [2,0,0,0,0,0|2,0,0]=4 10929 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [2,0,0,0,0,0|1,0,1]=4 10930 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [2,0,0,0,0,0|1,0,1]=4 10931 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [2,0,0,0,0,0|2,0,0]=4 10932 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [2,0,0,0,0,0|1,0,0]=3 10933 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [2,0,0,0,0,0|1,0,0]=3 10934 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [2,0,0,0,0,0|1,0,0]=3 10935 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [2,0,0,0,0,0|1,0,0]=3 10936 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [2,0,0,0,0,0|2,0,0]=4 10937 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [2,0,0,0,0,0|2,0,0]=4 10938 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [2,0,0,0,0,0|1,0,1]=4 10939 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [2,0,0,0,0,0|1,0,1]=4 10940 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [2,0,0,0,0,0|2,0,0]=4 10941 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [2,0,0,0,0,0|2,0,0]=4 10942 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [2,0,0,0,0,0|2,0,0]=4 10943 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [2,0,0,0,0,0|2,0,0]=4 10944 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [2,0,0,0,0,0|1,0,0]=3 10945 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [2,0,0,0,0,0|1,0,0]=3 10946 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [2,0,0,0,0,0|1,0,0]=3 10947 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [2,0,0,0,0,0|2,0,0]=4 10948 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [2,0,0,0,0,0|2,0,0]=4 10949 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [2,0,0,0,0,0|2,0,0]=4 10950 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [2,0,0,0,0,0|1,0,1]=4 10951 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [2,0,0,0,0,0|2,0,0]=4 10952 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [2,0,0,0,0,0|2,0,0]=4 10953 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [2,0,0,0,0,0|2,0,0]=4 10954 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [2,0,0,0,0,0|2,0,0]=4 10955 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [2,0,0,0,0,0|2,0,0]=4 10956 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [2,0,0,0,0,0|1,0,0]=3 10957 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [2,0,0,0,0,0|1,0,0]=3 10958 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [2,0,0,0,0,0|1,0,0]=3 10959 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [2,0,0,0,0,0|1,0,0]=3 10960 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [2,0,0,0,0,0|2,0,0]=4 10961 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [2,0,0,0,0,0|2,0,0]=4 10962 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [2,0,0,0,0,0|2,0,0]=4 10963 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [2,0,0,0,0,0|2,0,0]=4 10964 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [2,0,0,0,0,0|2,0,0]=4 10965 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [2,0,0,0,0,0|1,0,1]=4 10966 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [2,0,0,0,0,0|1,0,1]=4 10967 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [2,0,0,0,0,0|2,0,0]=4 10968 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [2,0,0,0,0,0|2,0,0]=4 10969 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [2,0,0,0,0,0|2,0,0]=4 10970 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [2,0,0,0,0,0|2,0,0]=4 10971 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [2,0,0,0,0,0|2,0,0]=4 10972 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [2,0,0,0,0,0|2,0,0]=4 10973 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [2,0,0,0,0,0|2,0,0]=4 10974 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [2,0,0,0,0,0|1,0,0]=3 10975 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [2,0,0,0,0,0|1,0,0]=3 10976 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [2,0,0,0,0,0|2,0,0]=4 10977 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [2,0,0,0,0,0|2,0,0]=4 10978 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [2,0,0,0,0,0|1,0,1]=4 10979 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [2,0,0,0,0,0|1,0,1]=4 10980 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [2,0,0,0,0,0|2,0,0]=4 10981 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [2,0,0,0,0,0|2,0,0]=4 10982 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [2,0,0,0,0,0|2,0,0]=4 10983 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [2,0,0,0,0,0|2,0,0]=4 10984 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [2,0,0,0,0,0|2,0,0]=4 10985 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [2,0,0,0,0,0|2,0,0]=4 10986 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [2,0,0,0,0,0|1,0,0]=3 10987 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [2,0,0,0,0,0|1,0,0]=3 10988 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [2,0,0,0,0,0|1,0,0]=3 10989 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [2,0,0,0,0,0|2,0,0]=4 10990 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [2,0,0,0,0,0|1,0,1]=4 10991 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [2,0,0,0,0,0|1,0,1]=4 10992 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [2,0,0,0,0,0|1,0,1]=4 10993 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [2,0,0,0,0,0|2,0,0]=4 10994 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [2,0,0,0,0,0|2,0,0]=4 10995 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [2,0,0,0,0,0|2,0,0]=4 10996 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [2,0,0,0,0,0|2,0,0]=4 10997 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [2,0,0,0,0,0|2,0,0]=4 10998 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [2,0,0,0,0,0|2,0,0]=4 10999 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [2,0,0,0,0,0|2,0,0]=4 11000 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [2,0,0,0,0,0|2,0,0]=4 11001 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [2,0,0,0,0,0|1,0,0]=3 11002 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [2,0,0,0,0,0|2,0,0]=4 11003 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [2,0,0,0,0,0|1,0,0]=3 11004 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [2,0,0,0,0,0|1,0,0]=3 11005 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [2,0,0,0,0,0|1,0,0]=3 11006 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [2,0,0,0,0,0|1,0,0]=3 11007 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [2,0,0,0,0,0|2,0,0]=4 11008 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [2,0,0,0,0,0|2,0,0]=4 11009 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [2,0,0,0,0,0|2,0,0]=4 11010 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [2,0,0,0,0,0|2,0,0]=4 11011 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [2,0,0,0,0,0|2,0,0]=4 11012 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [2,0,0,0,0,0|2,0,0]=4 11013 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [2,0,0,0,0,0|2,0,0]=4 11014 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [2,0,0,0,0,0|2,0,0]=4 11015 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [2,0,0,0,0,0|1,0,1]=4 11016 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [2,0,0,0,0,0|1,0,1]=4 11017 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [2,0,0,0,0,0|2,0,0]=4 11018 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [2,0,0,0,0,0|2,0,0]=4 11019 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [2,0,0,0,0,0|2,0,0]=4 11020 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [2,0,0,0,0,0|2,0,0]=4 11021 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [2,0,0,0,0,0|2,0,0]=4 11022 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [2,0,0,0,0,0|2,0,0]=4 11023 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [2,0,0,0,0,0|2,0,0]=4 11024 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [2,0,0,0,0,0|2,0,0]=4 11025 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [2,0,0,0,0,0|2,0,0]=4 11026 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [2,0,0,0,0,0|2,0,0]=4 11027 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [2,0,0,0,0,0|2,0,0]=4 11028 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [2,0,0,0,0,0|2,0,0]=4 11029 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [2,0,0,0,0,0|2,0,0]=4 11030 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [2,0,0,0,0,0|2,0,0]=4 11031 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [2,0,0,0,0,0|2,0,0]=4 11032 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [2,0,0,0,0,0|2,0,0]=4 11033 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [2,0,0,0,0,0|1,0,0]=3 11034 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [2,0,0,0,0,0|1,0,0]=3 11035 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [2,0,0,0,0,0|1,0,0]=3 11036 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [2,0,0,0,0,0|1,0,0]=3 11037 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [2,0,0,0,0,0|2,0,0]=4 11038 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [2,0,0,0,0,0|2,0,0]=4 11039 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [2,0,0,0,0,0|1,0,1]=4 11040 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [2,0,0,0,0,0|1,0,1]=4 11041 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [2,0,0,0,0,0|2,0,0]=4 11042 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [2,0,0,0,0,0|2,0,0]=4 11043 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [2,0,0,0,0,0|2,0,0]=4 11044 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [2,0,0,0,0,0|2,0,0]=4 11045 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [2,0,0,0,0,0|2,0,0]=4 11046 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [2,0,0,0,0,0|2,0,0]=4 11047 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [2,0,0,0,0,0|1,0,0]=3 11048 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [2,0,0,0,0,0|2,0,0]=4 11049 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [2,0,0,0,0,0|1,0,1]=4 11050 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [2,0,0,0,0,0|1,0,1]=4 11051 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [2,0,0,0,0,0|1,0,1]=4 11052 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [2,0,0,0,0,0|2,0,0]=4 11053 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [2,0,0,0,0,0|2,0,0]=4 11054 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [2,0,0,0,0,0|2,0,0]=4 11055 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [2,0,0,0,0,0|2,0,0]=4 11056 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [2,0,0,0,0,0|2,0,0]=4 11057 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [2,0,0,0,0,0|2,0,0]=4 11058 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [2,0,0,0,0,0|2,0,0]=4 11059 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [2,0,0,0,0,0|2,0,0]=4 11060 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [2,0,0,0,0,0|2,0,0]=4 11061 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [2,0,0,0,0,0|2,0,0]=4 11062 B11R0.3 CCCCCNCOCCCC 2230a_100000209983_100011995733 [2,0,0,0,0,0|2,0,0]=4 11063 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [2,0,0,0,0,0|1,0,0]=3 11064 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [2,0,0,0,0,0|2,0,0]=4 11065 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [2,0,0,0,0,0|2,0,0]=4 11066 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [2,0,0,0,0,0|2,0,0]=4 11067 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [2,0,0,0,0,0|2,0,0]=4 11068 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [2,0,0,0,0,0|2,0,0]=4 11069 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [2,0,0,0,0,0|2,0,0]=4 11070 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [2,0,0,0,0,0|2,0,0]=4 11071 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [2,0,0,0,0,0|2,0,0]=4 11072 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [2,0,0,0,0,0|2,0,0]=4 11073 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [2,0,0,0,0,0|1,0,1]=4 11074 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [2,0,0,0,0,0|1,0,1]=4 11075 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [2,0,0,0,0,0|2,0,0]=4 11076 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [2,0,0,0,0,0|2,0,0]=4 11077 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [2,0,0,0,0,0|2,0,0]=4 11078 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [2,0,0,0,0,0|2,0,0]=4 11079 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [2,0,0,0,0,0|2,0,0]=4 11080 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [2,0,0,0,0,0|2,0,0]=4 11081 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [2,0,0,0,0,0|2,0,0]=4 11082 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [2,0,0,0,0,0|2,0,0]=4 11083 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [2,0,0,0,0,0|2,0,0]=4 11084 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [2,0,0,0,0,0|2,0,0]=4 11085 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [2,0,0,0,0,0|2,0,0]=4 11086 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [2,0,0,0,0,0|2,0,0]=4 11087 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [2,0,0,0,0,0|2,0,0]=4 11088 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [2,0,0,0,0,0|2,0,0]=4 11089 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [2,0,0,0,0,0|2,0,0]=4 11090 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [2,0,0,0,0,0|2,0,0]=4 11091 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [2,0,0,0,0,0|2,0,0]=4 11092 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [2,0,0,0,0,0|2,0,0]=4 11093 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [2,0,0,0,0,0|2,0,0]=4 11094 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [2,0,0,0,0,0|2,0,0]=4 11095 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [2,0,0,0,0,0|2,0,0]=4 11096 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [2,0,0,0,0,0|2,0,0]=4 11097 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [2,0,0,0,0,0|1,0,0]=3 11098 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [2,0,0,0,0,0|1,0,0]=3 11099 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [2,0,0,0,0,0|2,0,0]=4 11100 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [2,0,0,0,0,0|2,0,0]=4 11101 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [2,0,0,0,0,0|1,0,1]=4 11102 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [2,0,0,0,0,0|1,0,1]=4 11103 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [2,0,0,0,0,0|2,0,0]=4 11104 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [2,0,0,0,0,0|2,0,0]=4 11105 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [2,0,0,0,0,0|2,0,0]=4 11106 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [2,0,0,0,0,0|2,0,0]=4 11107 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [2,0,0,0,0,0|2,0,0]=4 11108 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [2,0,0,0,0,0|2,0,0]=4 11109 B11R0.3 CCCCCSCOCCCC 62a_100000210326_100011995733 [2,0,0,0,0,0|2,0,0]=4 11110 B11R0.3 CCCCCSCOCCCC 62a_100011995733_100000210326 [2,0,0,0,0,0|2,0,0]=4 11111 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [2,0,0,0,0,0|1,0,0]=3 11112 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [2,0,0,0,0,0|1,0,0]=3 11113 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [2,0,0,0,0,0|2,0,0]=4 11114 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [2,0,0,0,0,0|2,0,0]=4 11115 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [2,0,0,0,0,0|1,0,1]=4 11116 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [2,0,0,0,0,0|1,0,1]=4 11117 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [2,0,0,0,0,0|1,0,1]=4 11118 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [2,0,0,0,0,0|1,0,1]=4 11119 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [2,0,0,0,0,0|2,0,0]=4 11120 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [2,0,0,0,0,0|2,0,0]=4 11121 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [2,0,0,0,0,0|2,0,0]=4 11122 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [2,0,0,0,0,0|2,0,0]=4 11123 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [2,0,0,0,0,0|2,0,0]=4 11124 B11R0.3 CCCCNCCOCCCC 2230a_100000102301_100000743108 [2,0,0,0,0,0|2,0,0]=4 11125 B11R0.3 CCCCNCCOCCCC 7a_106832991798_100000743108 [2,0,0,0,0,0|2,0,0]=4 11126 B11R0.3 CCCCNCCSCCCC 2230a_100025743550_100000210211 [2,0,0,0,0,0|2,0,0]=4 11127 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [2,0,0,0,0,0|1,0,0]=3 11128 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [2,0,0,0,0,0|2,0,0]=4 11129 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [2,0,0,0,0,0|2,0,0]=4 11130 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [2,0,0,0,0,0|2,0,0]=4 11131 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [2,0,0,0,0,0|2,0,0]=4 11132 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [2,0,0,0,0,0|2,0,0]=4 11133 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [2,0,0,0,0,0|2,0,0]=4 11134 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [2,0,0,0,0,0|2,0,0]=4 11135 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [2,0,0,0,0,0|2,0,0]=4 11136 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [2,0,0,0,0,0|2,0,0]=4 11137 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [2,0,0,0,0,0|1,0,1]=4 11138 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [2,0,0,0,0,0|1,0,1]=4 11139 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [2,0,0,0,0,0|2,0,0]=4 11140 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [2,0,0,0,0,0|2,0,0]=4 11141 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [2,0,0,0,0,0|2,0,0]=4 11142 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [2,0,0,0,0,0|2,0,0]=4 11143 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [2,0,0,0,0,0|2,0,0]=4 11144 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [2,0,0,0,0,0|2,0,0]=4 11145 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [2,0,0,0,0,0|2,0,0]=4 11146 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [2,0,0,0,0,0|2,0,0]=4 11147 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [2,0,0,0,0,0|2,0,0]=4 11148 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [2,0,0,0,0,0|2,0,0]=4 11149 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [2,0,0,0,0,0|2,0,0]=4 11150 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [2,0,0,0,0,0|2,0,0]=4 11151 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [2,0,0,0,0,0|2,0,0]=4 11152 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [2,0,0,0,0,0|2,0,0]=4 11153 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [2,0,0,0,0,0|2,0,0]=4 11154 B11R0.3 CCCCOCCSCCCC 34a_200000230436_100000210210 [2,0,0,0,0,0|2,0,0]=4 11155 B11R0.3 CCCCOCCSCCCC 62a_100000210211_100000743108 [2,0,0,0,0,0|2,0,0]=4 11156 B11R0.3 CCCCOCCSCCCC 62a_100000743108_100000210210 [2,0,0,0,0,0|2,0,0]=4 11157 B11R0.3 CCCCOCCSCCCC 7a_200000230436_100000210211 [2,0,0,0,0,0|2,0,0]=4 11158 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [2,0,0,0,0,0|2,0,0]=4 11159 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [2,0,0,0,0,0|2,0,0]=4 11160 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [2,0,0,0,0,0|1,0,0]=3 11161 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [2,0,0,0,0,0|1,0,0]=3 11162 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [2,0,0,0,0,0|2,0,0]=4 11163 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [2,0,0,0,0,0|2,0,0]=4 11164 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [2,0,0,0,0,0|1,0,1]=4 11165 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [2,0,0,0,0,0|1,0,1]=4 11166 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [2,0,0,0,0,0|1,0,1]=4 11167 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [2,0,0,0,0,0|1,0,1]=4 11168 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [2,0,0,0,0,0|2,0,0]=4 11169 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [2,0,0,0,0,0|2,0,0]=4 11170 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [2,0,0,0,0,0|2,0,0]=4 11171 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [2,0,0,0,0,0|1,0,1]=4 11172 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [2,0,0,0,0,0|2,0,0]=4 11173 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [2,0,0,0,0,0|2,0,0]=4 11174 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [2,0,0,0,0,0|2,0,0]=4 11175 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [2,0,0,0,0,0|2,0,0]=4 11176 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [2,0,0,0,0,0|2,0,0]=4 11177 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [2,0,0,0,0,0|2,0,0]=4 11178 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [2,0,0,0,0,0|2,0,0]=4 11179 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [2,0,0,0,0,0|1,0,1]=4 11180 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [2,0,0,0,0,0|1,0,1]=4 11181 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [2,0,0,0,0,0|2,0,0]=4 11182 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [2,0,0,0,0,0|2,0,0]=4 11183 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [2,0,0,0,0,0|2,0,0]=4 11184 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [2,0,0,0,0,0|2,0,0]=4 11185 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [2,0,0,0,0,0|1,0,1]=4 11186 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [2,0,0,0,0,0|1,0,1]=4 11187 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [2,0,0,0,0,0|1,0,1]=4 11188 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [2,0,0,0,0,0|2,0,0]=4 11189 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [2,0,0,0,0,0|2,0,0]=4 11190 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [2,0,0,0,0,0|2,0,0]=4 11191 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [2,0,0,0,0,0|2,0,0]=4 11192 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [2,0,0,0,0,0|2,0,0]=4 11193 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [2,0,0,0,0,0|1,0,1]=4 11194 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [2,0,0,0,0,0|2,0,0]=4 11195 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [2,0,0,0,0,0|2,0,0]=4 11196 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [2,0,0,0,0,0|2,0,0]=4 11197 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [2,0,0,0,0,0|2,0,0]=4 11198 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [2,0,0,0,0,0|2,0,0]=4 11199 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [2,0,0,0,0,0|2,0,0]=4 11200 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [2,0,0,0,0,0|2,0,0]=4 11201 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [2,0,0,0,0,0|2,0,0]=4 11202 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [2,0,0,0,0,0|2,0,0]=4 11203 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [2,0,0,0,0,0|2,0,0]=4 11204 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [2,0,0,0,0,0|1,0,1]=4 11205 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [2,0,0,0,0,0|1,0,1]=4 11206 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [2,0,0,0,0,0|2,0,0]=4 11207 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [2,0,0,0,0,0|2,0,0]=4 11208 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [2,0,0,0,0,0|2,0,0]=4 11209 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [2,0,0,0,0,0|2,0,0]=4 11210 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [2,0,0,0,0,0|2,0,0]=4 11211 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [2,0,0,0,0,0|1,0,1]=4 11212 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [2,0,0,0,0,0|1,0,1]=4 11213 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [2,0,0,0,0,0|1,0,1]=4 11214 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [2,0,0,0,0,0|1,0,1]=4 11215 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [2,0,0,0,0,0|1,0,1]=4 11216 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [2,0,0,0,0,0|2,0,0]=4 11217 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [2,0,0,0,0,0|2,0,0]=4 11218 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [2,0,0,0,0,0|2,0,0]=4 11219 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [2,0,0,0,0,0|2,0,0]=4 11220 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [2,0,0,0,0,0|2,0,0]=4 11221 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [2,0,0,0,0,0|1,0,1]=4 11222 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [2,0,0,0,0,0|2,0,0]=4 11223 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [2,0,0,0,0,0|2,0,0]=4 11224 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [2,0,0,0,0,0|2,0,0]=4 11225 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [2,0,0,0,0,0|2,0,0]=4 11226 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [2,0,0,0,0,0|2,0,0]=4 11227 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [2,0,0,0,0,0|2,0,0]=4 11228 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [2,0,0,0,0,0|2,0,0]=4 11229 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [2,0,0,0,0,0|2,0,0]=4 11230 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [2,0,0,0,0,0|2,0,0]=4 11231 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [2,0,0,0,0,0|2,0,0]=4 11232 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [2,0,0,0,0,0|2,0,0]=4 11233 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [2,0,0,0,0,0|1,0,1]=4 11234 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [2,0,0,0,0,0|1,0,1]=4 11235 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [2,0,0,0,0,0|2,0,0]=4 11236 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [2,0,0,0,0,0|2,0,0]=4 11237 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [2,0,0,0,0,0|2,0,0]=4 11238 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [2,0,0,0,0,0|2,0,0]=4 11239 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [2,0,0,0,0,0|2,0,0]=4 11240 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [2,0,0,0,0,0|2,0,0]=4 11241 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [2,0,0,0,0,0|2,0,0]=4 11242 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [2,0,0,0,0,0|2,0,0]=4 11243 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [2,0,0,0,0,0|2,0,0]=4 11244 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [2,0,0,0,0,0|2,0,0]=4 11245 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [2,0,0,0,0,0|2,0,0]=4 11246 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [2,0,0,0,0,0|2,0,0]=4 11247 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [2,0,0,0,0,0|2,0,0]=4 11248 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [2,0,0,0,0,0|2,0,0]=4 11249 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [2,0,0,0,0,0|2,0,0]=4 11250 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [2,0,0,0,0,0|2,0,0]=4 11251 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [2,0,0,0,0,0|2,0,0]=4 11252 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [2,0,0,0,0,0|2,0,0]=4 11253 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [2,0,0,0,0,0|2,0,0]=4 11254 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [2,0,0,0,0,0|2,0,0]=4 11255 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [2,0,0,0,0,0|2,0,0]=4 11256 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [2,0,0,0,0,0|2,0,0]=4 11257 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [2,0,0,0,0,0|2,0,0]=4 11258 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [2,0,0,0,0,0|2,0,0]=4 11259 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [2,0,0,0,0,0|2,0,0]=4 11260 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [2,0,0,0,0,0|2,0,0]=4 11261 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [2,0,0,0,0,0|2,0,0]=4 11262 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [2,0,0,0,0,0|2,0,0]=4 11263 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [2,0,0,0,0,0|2,0,0]=4 11264 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [2,0,0,0,0,0|2,0,0]=4 11265 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [2,0,0,0,0,0|2,0,0]=4 11266 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [2,0,0,0,0,0|2,0,0]=4 11267 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [2,0,0,0,0,0|2,0,0]=4 11268 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [2,0,0,0,0,0|2,0,0]=4 11269 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [2,0,0,0,0,0|1,0,1]=4 11270 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [2,0,0,0,0,0|1,0,1]=4 11271 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [2,0,0,0,0,0|2,0,0]=4 11272 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [2,0,0,0,0,0|2,0,0]=4 11273 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [2,0,0,0,0,0|2,0,0]=4 11274 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [2,0,0,0,0,0|2,0,0]=4 11275 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [2,0,0,0,0,0|2,0,0]=4 11276 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [2,0,0,0,0,0|1,0,1]=4 11277 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [2,0,0,0,0,0|1,0,1]=4 11278 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [1,1,0,0,0,0|0,0,2]=4 11279 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [1,1,0,0,0,0|0,0,2]=4 11280 B13R0.2 C=CCC(C)COCCCCCCC 34a_100009832082_100000210614 [1,1,0,0,0,0|1,0,1]=4 11281 B13R0.2 C=CCC(C)COCCCCCCC 7a_100009832082_100000210614 [1,1,0,0,0,0|1,0,1]=4 11282 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [1,1,0,0,0,0|0,0,2]=4 11283 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [1,1,0,0,0,0|0,0,2]=4 11284 B13R0.2 C=CCCCCCCCN(C)CCC 2230a_100000747261_100012355270 [1,1,0,0,0,0|1,0,1]=4 11285 B13R0.2 C=CCCCCCCCN(C)CCC 269982a_100000747261_100012355270 [1,1,0,0,0,0|1,0,1]=4 11286 B13R0.2 C=CCCCCCCNC(C)CCC 2230a_100000741246_100011215473 [1,1,0,0,0,0|1,0,1]=4 11287 B13R0.2 C=CCCCCCCOC(C)CCC 34a_100000764384_100011215473 [1,1,0,0,0,0|1,0,1]=4 11288 B13R0.2 C=CCCCCCCOC(C)CCC 34a_200011216477_100000766640 [1,1,0,0,0,0|1,0,1]=4 11289 B13R0.2 C=CCCCCCCOC(C)CCC 7a_100000764384_100011215473 [1,1,0,0,0,0|1,0,1]=4 11290 B13R0.2 C=CCCCCCCOC(C)CCC 7a_200011216477_100000766640 [1,1,0,0,0,0|1,0,1]=4 11291 B13R0.2 C=CCCCCCCSC(C)CCC 62a_100000766640_100011215473 [1,1,0,0,0,0|1,0,1]=4 11292 B13R0.2 C=CCCCCCCSC(C)CCC 62a_100011215473_100000766640 [1,1,0,0,0,0|1,0,1]=4 11293 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100000688023_100000700193 [1,1,0,0,0,0|1,0,1]=4 11294 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100011216702_100011216630 [1,1,0,0,0,0|1,0,1]=4 11295 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100000688023_100000700193 [1,1,0,0,0,0|1,0,1]=4 11296 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100011216702_100011216630 [1,1,0,0,0,0|1,0,1]=4 11297 B13R0.2 C=CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000700193 [1,1,0,0,0,0|1,0,1]=4 11298 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100000700193_100011216630 [1,1,0,0,0,0|1,0,1]=4 11299 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100011216630_100000700193 [1,1,0,0,0,0|1,0,1]=4 11300 B13R0.2 C=CCCCCOCCC(C)CCC 34a_100011217855_100011215482 [1,1,0,0,0,0|1,0,1]=4 11301 B13R0.2 C=CCCCCOCCC(C)CCC 7a_100011217855_100011215482 [1,1,0,0,0,0|1,0,1]=4 11302 B13R0.2 C=CCCCCOCC[C@@H](N)CCC 34a_100015193777_100011215482 [1,1,0,0,0,0|1,0,1]=4 11303 B13R0.2 C=CCCCOCCCC(C)CCC 34a_100011713154_100000757094 [1,1,0,0,0,0|1,0,1]=4 11304 B13R0.2 C=CCCCOCCCC(C)CCC 7a_100011713154_100000757094 [1,1,0,0,0,0|1,0,1]=4 11305 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000225617_100011214924 [1,1,0,0,0,0|1,0,1]=4 11306 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000232482_100000210623 [1,1,0,0,0,0|1,0,1]=4 11307 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000225617_100000210670 [1,1,0,0,0,0|1,0,1]=4 11308 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000232482_100000210623 [1,1,0,0,0,0|1,0,1]=4 11309 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 34a_100000731007_100000210759 [1,1,0,0,0,0|1,0,1]=4 11310 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 7a_100000731007_100000210759 [1,1,0,0,0,0|1,0,1]=4 11311 B13R0.2 C=CC[C@@H](N)COCCCCCCC 34a_100020615467_100000210614 [1,1,0,0,0,0|1,0,1]=4 11312 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [1,1,0,0,0,0|0,0,2]=4 11313 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000139337_100000747444 [1,1,0,0,0,0|1,0,1]=4 11314 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000747444_100000139337 [1,1,0,0,0,0|1,0,1]=4 11315 B13R0.2 CCCC(C)CCCOCCCC=O 7a_100011713154_200011292268 [1,1,0,0,0,0|1,0,0]=3 11316 B13R0.2 CCCC(C)CCCOCCCCF 34a_100011713154_100000729493 [1,1,0,0,0,0|2,0,0]=4 11317 B13R0.2 CCCC(C)CCCOCCCCF 7a_100011713154_100000729493 [1,1,0,0,0,0|2,0,0]=4 11318 B13R0.2 CCCC(C)CCCOCCCCO 34a_100011713154_100011216708 [1,1,0,0,0,0|1,0,1]=4 11319 B13R0.2 CCCC(C)CCCOCCCCO 7a_100011713154_100000210776 [1,1,0,0,0,0|1,0,1]=4 11320 B13R0.2 CCCC(C)CCOCCCCC=O 7a_100011217855_100000139335 [1,1,0,0,0,0|1,0,0]=3 11321 B13R0.2 CCCC(C)CCOCCCCCF 34a_100011217855_100000729378 [1,1,0,0,0,0|2,0,0]=4 11322 B13R0.2 CCCC(C)CCOCCCCCF 7a_100011217855_100000729378 [1,1,0,0,0,0|2,0,0]=4 11323 B13R0.2 CCCC(C)CCOCCCCCO 34a_100011217855_100000746330 [1,1,0,0,0,0|1,0,1]=4 11324 B13R0.2 CCCC(C)CCOCCCCCO 7a_100011217855_100000746330 [1,1,0,0,0,0|1,0,1]=4 11325 B13R0.2 CCCC(C)CNCCCCCCO 2230a_100000686447_100011216630 [1,1,0,0,0,0|1,0,1]=4 11326 B13R0.2 CCCC(C)CNCCCCCCO 270004a_100000686447_100000243154 [1,1,0,0,0,0|1,0,1]=4 11327 B13R0.2 CCCC(C)CNCCCCCCO 34a_100000686447_100011216630 [1,1,0,0,0,0|1,0,1]=4 11328 B13R0.2 CCCC(C)COCCCCCC=O 7a_100000688023_100000139337 [1,1,0,0,0,0|1,0,0]=3 11329 B13R0.2 CCCC(C)COCCCCCCBr 34a_100011215345_100011216630 [1,1,0,0,0,0|2,0,0]=4 11330 B13R0.2 CCCC(C)COCCCCCCBr 7a_100011215345_100011216630 [1,1,0,0,0,0|2,0,0]=4 11331 B13R0.2 CCCC(C)COCCCCCCCl 34a_100000766143_100011216630 [1,1,0,0,0,0|2,0,0]=4 11332 B13R0.2 CCCC(C)COCCCCCCCl 7a_100000766143_100011216630 [1,1,0,0,0,0|2,0,0]=4 11333 B13R0.2 CCCC(C)COCCCCCCF 34a_100000688023_100015922095 [1,1,0,0,0,0|2,0,0]=4 11334 B13R0.2 CCCC(C)COCCCCCCF 34a_100000732779_100011216630 [1,1,0,0,0,0|2,0,0]=4 11335 B13R0.2 CCCC(C)COCCCCCCF 7a_100000688023_100015922095 [1,1,0,0,0,0|2,0,0]=4 11336 B13R0.2 CCCC(C)COCCCCCCF 7a_100000732779_100011216630 [1,1,0,0,0,0|2,0,0]=4 11337 B13R0.2 CCCC(C)COCCCCCCN 34a_100000686447_100011216630 [1,1,0,0,0,0|2,0,0]=4 11338 B13R0.2 CCCC(C)COCCCCCCO 34a_100000688023_100000766143 [1,1,0,0,0,0|1,0,1]=4 11339 B13R0.2 CCCC(C)COCCCCCCO 7a_100000688023_100000766143 [1,1,0,0,0,0|1,0,1]=4 11340 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100000139337_100011216630 [1,1,0,0,0,0|1,0,0]=3 11341 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100011216630_100000139337 [1,1,0,0,0,0|1,0,0]=3 11342 B13R0.2 CCCC(C)CSCCCCCCF 62a_100011216630_100015922095 [1,1,0,0,0,0|2,0,0]=4 11343 B13R0.2 CCCC(C)CSCCCCCCF 62a_100015922095_100011216630 [1,1,0,0,0,0|2,0,0]=4 11344 B13R0.2 CCCC(C)CSCCCCCCO 62a_100000766143_100011216630 [1,1,0,0,0,0|1,0,1]=4 11345 B13R0.2 CCCC(C)CSCCCCCCO 62a_100011216630_100000766143 [1,1,0,0,0,0|1,0,1]=4 11346 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100000741246_100000760002 [1,1,0,0,0,0|1,0,1]=4 11347 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100011996573_100000766640 [1,1,0,0,0,0|1,0,1]=4 11348 B13R0.2 CCCC(C)NCCCCCCCO 270004a_100011996573_100000211909 [1,1,0,0,0,0|1,0,1]=4 11349 B13R0.2 CCCC(C)NCCCCCCCO 34a_100011996573_100000766640 [1,1,0,0,0,0|1,0,1]=4 11350 B13R0.2 CCCC(C)OCCCCCCCBr 34a_100000760002_100000766640 [1,1,0,0,0,0|2,0,0]=4 11351 B13R0.2 CCCC(C)OCCCCCCCBr 7a_100000760002_100000766640 [1,1,0,0,0,0|2,0,0]=4 11352 B13R0.2 CCCC(C)OCCCCCCCN 34a_100011996573_100000766640 [1,1,0,0,0,0|2,0,0]=4 11353 B13R0.2 CCCC(C)OCCCCCCCO 34a_100000764384_100000760002 [1,1,0,0,0,0|1,0,1]=4 11354 B13R0.2 CCCC(C)OCCCCCCCO 7a_100000764384_100000760002 [1,1,0,0,0,0|1,0,1]=4 11355 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000760002_100000766640 [1,1,0,0,0,0|1,0,1]=4 11356 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000766640_100000760002 [1,1,0,0,0,0|1,0,1]=4 11357 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [1,1,0,0,0,0|0,0,2]=4 11358 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [1,1,0,0,0,0|0,0,2]=4 11359 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [1,1,0,0,0,0|1,0,1]=4 11360 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [1,1,0,0,0,0|0,0,2]=4 11361 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [1,1,0,0,0,0|0,0,2]=4 11362 B13R0.2 CCCCCCCCCC(C)CNC 270004a_106832991635_200011218516 [1,1,0,0,0,0|1,0,1]=4 11363 B13R0.2 CCCCCCCCCC(C)NCC 270004a_100015525214_100011215753 [1,1,0,0,0,0|1,0,1]=4 11364 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [1,1,0,0,0,0|1,0,1]=4 11365 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [1,1,0,0,0,0|1,0,1]=4 11366 B13R0.2 CCCCCCCCCC(C)OCF 34a_100011218016_100015361967 [1,1,0,0,0,0|2,0,0]=4 11367 B13R0.2 CCCCCCCCCC(C)OCF 7a_100011218016_100015361967 [1,1,0,0,0,0|2,0,0]=4 11368 B13R0.2 CCCCCCCCCN(C)CC=O 2230a_100000232482_200015260668 [1,1,0,0,0,0|1,0,0]=3 11369 B13R0.2 CCCCCCCCCN(C)CC=O 269982a_100000232482_200015260668 [1,1,0,0,0,0|1,0,0]=3 11370 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000232482_100000210303 [1,1,0,0,0,0|1,0,1]=4 11371 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000747261_100011214924 [1,1,0,0,0,0|1,0,1]=4 11372 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000232482_100000210303 [1,1,0,0,0,0|1,0,1]=4 11373 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000747261_100000210670 [1,1,0,0,0,0|1,0,1]=4 11374 B13R0.2 CCCCCCCCCN(C)CCF 2230a_100000232482_100011217306 [1,1,0,0,0,0|2,0,0]=4 11375 B13R0.2 CCCCCCCCCN(C)CCF 269982a_100000232482_100011217306 [1,1,0,0,0,0|2,0,0]=4 11376 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000210263_100011214924 [1,1,0,0,0,0|1,0,1]=4 11377 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000232482_100000211926 [1,1,0,0,0,0|1,0,1]=4 11378 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000210263_100000210670 [1,1,0,0,0,0|1,0,1]=4 11379 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000232482_100000211926 [1,1,0,0,0,0|1,0,1]=4 11380 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000229939_100000766640 [1,1,0,0,0,0|1,0,1]=4 11381 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000741246_100000210759 [1,1,0,0,0,0|1,0,1]=4 11382 B13R0.2 CCCCCCCCNC(C)CCC 270004a_100000229939_100000211909 [1,1,0,0,0,0|1,0,1]=4 11383 B13R0.2 CCCCCCCCNC(C)CCC 34a_100000229939_100000766640 [1,1,0,0,0,0|1,0,1]=4 11384 B13R0.2 CCCCCCCCNC(C)CCO 2230a_100000229939_100009893172 [1,1,0,0,0,0|1,0,1]=4 11385 B13R0.2 CCCCCCCCNC(C)CCO 34a_100000229939_100009893172 [1,1,0,0,0,0|1,0,1]=4 11386 B13R0.2 CCCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210759 [1,1,0,0,0,0|1,0,1]=4 11387 B13R0.2 CCCCCCCCN[C@H](C)CCO 34a_100000706166_100000210759 [1,1,0,0,0,0|1,0,1]=4 11388 B13R0.2 CCCCCCCCOC(C)CCBr 34a_100012276601_100000210759 [1,1,0,0,0,0|2,0,0]=4 11389 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000210232_100000766640 [1,1,0,0,0,0|1,0,1]=4 11390 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000764384_100000210759 [1,1,0,0,0,0|1,0,1]=4 11391 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000210232_100000766640 [1,1,0,0,0,0|1,0,1]=4 11392 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000764384_100000210759 [1,1,0,0,0,0|1,0,1]=4 11393 B13R0.2 CCCCCCCCOC(C)CCO 34a_100000210232_100009893172 [1,1,0,0,0,0|1,0,1]=4 11394 B13R0.2 CCCCCCCCOC(C)CCO 7a_100000210232_100009893172 [1,1,0,0,0,0|1,0,1]=4 11395 B13R0.2 CCCCCCCCSC(C)CCC 62a_100000210759_100000766640 [1,1,0,0,0,0|1,0,1]=4 11396 B13R0.2 CCCCCCCCSC(C)CCC 62a_100000766640_100000210317 [1,1,0,0,0,0|1,0,1]=4 11397 B13R0.2 CCCCCCCCSC(C)CCO 62a_100000210759_100009893172 [1,1,0,0,0,0|1,0,1]=4 11398 B13R0.2 CCCCCCCCSC(C)CCO 62a_100009893172_100000210317 [1,1,0,0,0,0|1,0,1]=4 11399 B13R0.2 CCCCCCCNCC(C)CCC 2230a_100000229938_100011216630 [1,1,0,0,0,0|1,0,1]=4 11400 B13R0.2 CCCCCCCNCC(C)CCC 270004a_100000229938_100000243154 [1,1,0,0,0,0|1,0,1]=4 11401 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000210272_100011216630 [1,1,0,0,0,0|1,0,1]=4 11402 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000688023_100000210614 [1,1,0,0,0,0|1,0,1]=4 11403 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000210272_100011216630 [1,1,0,0,0,0|1,0,1]=4 11404 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000688023_100000210614 [1,1,0,0,0,0|1,0,1]=4 11405 B13R0.2 CCCCCCCOCC(C)CCN 34a_106354213184_100000210614 [1,1,0,0,0,0|2,0,0]=4 11406 B13R0.2 CCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210614 [1,1,0,0,0,0|1,0,1]=4 11407 B13R0.2 CCCCCCCSCC(C)CCC 62a_100000210614_100011216630 [1,1,0,0,0,0|1,0,1]=4 11408 B13R0.2 CCCCCCCSCC(C)CCC 62a_100011216630_100000210316 [1,1,0,0,0,0|1,0,1]=4 11409 B13R0.2 CCCCCCOCCC(C)CCC 34a_100011217855_100000210314 [1,1,0,0,0,0|1,0,1]=4 11410 B13R0.2 CCCCCCOCCC(C)CCC 7a_100011217855_100000210314 [1,1,0,0,0,0|1,0,1]=4 11411 B13R0.2 CCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210314 [1,1,0,0,0,0|1,0,1]=4 11412 B13R0.2 CCCCCOCCCC(C)CCC 34a_100011713154_100000718602 [1,1,0,0,0,0|1,0,1]=4 11413 B13R0.2 CCCCCOCCCC(C)CCC 7a_100011713154_100000210326 [1,1,0,0,0,0|1,0,1]=4 11414 B13R0.2 CCCN(C)CCCCCCCCO 2230a_100000747261_100000033203 [1,1,0,0,0,0|1,0,1]=4 11415 B13R0.2 CCCN(C)CCCCCCCCO 269982a_100000747261_100000033203 [1,1,0,0,0,0|1,0,1]=4 11416 B13R0.2 CCC[C@H](N)CCOCCCCCF 34a_100015193777_100000729378 [1,1,0,0,0,0|2,0,0]=4 11417 B13R0.2 CCC[C@H](N)CCOCCCCCO 34a_100015193777_100000746330 [1,1,0,0,0,0|1,0,1]=4 11418 B13R0.2 CCC[C@H](N)COCCCCCCF 34a_100000732646_100015922095 [1,1,0,0,0,0|2,0,0]=4 11419 B13R0.2 CCC[C@H](N)COCCCCCCO 34a_100000732646_100000766143 [1,1,0,0,0,0|1,0,1]=4 11420 B13R0.2 COCC(O)CNCCCCCC=O 2230a_100000756049_100000139337 [1,1,0,0,0,0|2,0,0]=4 11421 B13R0.2 COCC(O)CSCCCCCC=O 62a_100000139337_100011215053 [1,1,0,0,0,0|2,0,0]=4 11422 B13R0.2 COCC(O)CSCCCCCC=O 62a_100011215053_100000139337 [1,1,0,0,0,0|2,0,0]=4 11423 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [1,1,0,0,0,0|1,0,1]=4 11424 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [1,1,0,0,0,0|1,0,1]=4 11425 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [1,1,0,0,0,0|1,0,1]=4 11426 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [1,1,0,0,0,0|1,0,1]=4 11427 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [1,1,0,0,0,0|1,0,1]=4 11428 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [1,1,0,0,0,0|1,0,1]=4 11429 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000210759_100000730704 [1,1,0,0,0,0|1,0,1]=4 11430 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000730704_100000210317 [1,1,0,0,0,0|1,0,1]=4 11431 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [1,1,0,0,0,0|1,0,1]=4 11432 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [1,1,0,0,0,0|1,0,1]=4 11433 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [1,1,0,0,0,0|1,0,1]=4 11434 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [1,1,0,0,0,0|1,0,1]=4 11435 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [1,1,0,0,0,0|1,0,1]=4 11436 B13R0.54 C=C(C)CSCCCCCCCCC 62a_100000748629_100000210670 [1,1,0,0,0,0|1,0,1]=4 11437 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [1,1,0,0,0,0|1,0,1]=4 11438 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [1,1,0,0,0,0|1,0,1]=4 11439 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [1,1,0,0,0,0|1,0,1]=4 11440 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [1,1,0,0,0,0|1,0,1]=4 11441 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [1,1,0,0,0,0|1,0,1]=4 11442 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [1,1,0,0,0,0|1,0,1]=4 11443 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [1,1,0,0,0,0|0,0,2]=4 11444 B13R0.54 C=CCCCCCCCCCN(C)C 2230a_100102631434_100009814027 [1,1,0,0,0,0|1,0,1]=4 11445 B13R0.54 C=CCCCCCCCCCN(C)C 269982a_100102631434_100009814027 [1,1,0,0,0,0|1,0,1]=4 11446 B13R0.54 C=CCCCCCCCCNC(C)C 2230a_100138425928_100011933949 [1,1,0,0,0,0|1,0,1]=4 11447 B13R0.54 C=CCCCCCCCCNC(C)C 34a_100138425928_100011933949 [1,1,0,0,0,0|1,0,1]=4 11448 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100000212225_100011933949 [1,1,0,0,0,0|1,0,1]=4 11449 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100011215194_100000210206 [1,1,0,0,0,0|1,0,1]=4 11450 B13R0.54 C=CCCCCCCCCOC(C)C 7a_100011215194_100000210206 [1,1,0,0,0,0|1,0,1]=4 11451 B13R0.54 C=CCCCCCCCCSC(C)C 62a_100000210206_100011933949 [1,1,0,0,0,0|1,0,1]=4 11452 B13R0.54 C=CCCCCCCCCSC(C)C 62a_100011933949_100000210206 [1,1,0,0,0,0|1,0,1]=4 11453 B13R0.54 C=CCCCCCCCNCC(C)C 2230a_100000210953_100012355270 [1,1,0,0,0,0|1,0,1]=4 11454 B13R0.54 C=CCCCCCCCNCC(C)C 34a_100000210953_100012355270 [1,1,0,0,0,0|1,0,1]=4 11455 B13R0.54 C=CCCCCCCCNCC(C)O 2230a_100000210904_100012355270 [1,1,0,0,0,0|1,0,1]=4 11456 B13R0.54 C=CCCCCCCCNCC(C)O 34a_100000210904_100012355270 [1,1,0,0,0,0|1,0,1]=4 11457 B13R0.54 C=CCCCCCCCOCC(C)Br 34a_100012180447_100012355270 [1,1,0,0,0,0|1,0,1]=4 11458 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000210257_100012355270 [1,1,0,0,0,0|1,0,1]=4 11459 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000730831_100000210624 [1,1,0,0,0,0|1,0,1]=4 11460 B13R0.54 C=CCCCCCCCOCC(C)C 7a_100000730831_100000210760 [1,1,0,0,0,0|1,0,1]=4 11461 B13R0.54 C=CCCCCCCCOCC(C)F 34a_100015925927_100012355270 [1,1,0,0,0,0|1,0,1]=4 11462 B13R0.54 C=CCCCCCCCOCC(C)O 34a_100000730831_100011218427 [1,1,0,0,0,0|1,0,1]=4 11463 B13R0.54 C=CCCCCCCCOCC(C)O 7a_100000730831_100011218427 [1,1,0,0,0,0|1,0,1]=4 11464 B13R0.54 C=CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100012355270 [1,1,0,0,0,0|1,0,1]=4 11465 B13R0.54 C=CCCCCCCCOC[C@@H](C)N 34a_100000737577_100012355270 [1,1,0,0,0,0|1,0,1]=4 11466 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 34a_100000730831_100009817552 [1,1,0,0,0,0|1,0,1]=4 11467 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 7a_100000730831_100009817552 [1,1,0,0,0,0|1,0,1]=4 11468 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100000210624_100012355270 [1,1,0,0,0,0|1,0,1]=4 11469 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100012355270_100000210760 [1,1,0,0,0,0|1,0,1]=4 11470 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100011218427_100012355270 [1,1,0,0,0,0|1,0,1]=4 11471 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100012355270_100011218427 [1,1,0,0,0,0|1,0,1]=4 11472 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100009817552_100012355270 [1,1,0,0,0,0|1,0,1]=4 11473 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100012355270_100009817552 [1,1,0,0,0,0|1,0,1]=4 11474 B13R0.54 C=CCCCCCCNCCC(C)O 2230a_200000755665_100011215473 [1,1,0,0,0,0|1,0,1]=4 11475 B13R0.54 C=CCCCCCCOCCC(C)Br 34a_100009893172_100011215473 [1,1,0,0,0,0|1,0,1]=4 11476 B13R0.54 C=CCCCCCCOCCC(C)C 34a_100000210254_100011215473 [1,1,0,0,0,0|1,0,1]=4 11477 B13R0.54 C=CCCCCCCOCCC(C)C 34a_200011216477_100000210312 [1,1,0,0,0,0|1,0,1]=4 11478 B13R0.54 C=CCCCCCCOCCC(C)C 7a_100000210254_100011215473 [1,1,0,0,0,0|1,0,1]=4 11479 B13R0.54 C=CCCCCCCOCCC(C)C 7a_200011216477_100000210626 [1,1,0,0,0,0|1,0,1]=4 11480 B13R0.54 C=CCCCCCCOCCC(C)O 34a_200011216477_100012276601 [1,1,0,0,0,0|1,0,1]=4 11481 B13R0.54 C=CCCCCCCOCCC(C)O 7a_200011216477_100012276601 [1,1,0,0,0,0|1,0,1]=4 11482 B13R0.54 C=CCCCCCCOCC[C@@H](C)N 34a_100000706166_100011215473 [1,1,0,0,0,0|1,0,1]=4 11483 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100000210312_100011215473 [1,1,0,0,0,0|1,0,1]=4 11484 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100011215473_100000210312 [1,1,0,0,0,0|1,0,1]=4 11485 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100011215473_100012276601 [1,1,0,0,0,0|1,0,1]=4 11486 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100012276601_100011215473 [1,1,0,0,0,0|1,0,1]=4 11487 B13R0.54 C=CCCCCCNCCCC(C)C 2230a_200000737386_100000700193 [1,1,0,0,0,0|1,0,1]=4 11488 B13R0.54 C=CCCCCCNCCCC(C)C 34a_200000737386_100000700193 [1,1,0,0,0,0|1,0,1]=4 11489 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100000210774_100000700193 [1,1,0,0,0,0|1,0,1]=4 11490 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100011216702_100011214892 [1,1,0,0,0,0|1,0,1]=4 11491 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100000210774_100000700193 [1,1,0,0,0,0|1,0,1]=4 11492 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100011216702_100011214892 [1,1,0,0,0,0|1,0,1]=4 11493 B13R0.54 C=CCCCCCOCCCC(C)O 34a_100011216702_200000718107 [1,1,0,0,0,0|1,0,1]=4 11494 B13R0.54 C=CCCCCCOCCCC(C)O 7a_100011216702_200000718107 [1,1,0,0,0,0|1,0,1]=4 11495 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100000700193_100011214892 [1,1,0,0,0,0|1,0,1]=4 11496 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100011214892_100000700193 [1,1,0,0,0,0|1,0,1]=4 11497 B13R0.54 C=CCCCCCSCCCC(C)O 62a_100000700193_200000718107 [1,1,0,0,0,0|1,0,1]=4 11498 B13R0.54 C=CCCCCCSCCCC(C)O 62a_200000718107_100000700193 [1,1,0,0,0,0|1,0,1]=4 11499 B13R0.54 C=CCCCCNCCCCC(C)C 2230a_100000703577_100011216152 [1,1,0,0,0,0|1,0,1]=4 11500 B13R0.54 C=CCCCCNCCCCC(C)C 34a_100000703577_100011216152 [1,1,0,0,0,0|1,0,1]=4 11501 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100000766645_100011216152 [1,1,0,0,0,0|1,0,1]=4 11502 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100011214890_100011215482 [1,1,0,0,0,0|1,0,1]=4 11503 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100000766645_100011216152 [1,1,0,0,0,0|1,0,1]=4 11504 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100011214890_100011215482 [1,1,0,0,0,0|1,0,1]=4 11505 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011215482_100011216152 [1,1,0,0,0,0|1,0,1]=4 11506 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011216152_100011215482 [1,1,0,0,0,0|1,0,1]=4 11507 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100000700776_100000210682 [1,1,0,0,0,0|1,0,1]=4 11508 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100011290863_100011713584 [1,1,0,0,0,0|1,0,1]=4 11509 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100000700776_100000210682 [1,1,0,0,0,0|1,0,1]=4 11510 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100011290863_100000757094 [1,1,0,0,0,0|1,0,1]=4 11511 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100000758997_100000210682 [1,1,0,0,0,0|1,0,1]=4 11512 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100011995859_100000757094 [1,1,0,0,0,0|1,0,1]=4 11513 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100000758997_100000210682 [1,1,0,0,0,0|1,0,1]=4 11514 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100011995859_100000757094 [1,1,0,0,0,0|1,0,1]=4 11515 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100000210682_100000757094 [1,1,0,0,0,0|1,0,1]=4 11516 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100011713584_100000210682 [1,1,0,0,0,0|1,0,1]=4 11517 B13R0.54 C=CCCNCCCCCCC(C)C 2230a_100000211014_100000754431 [1,1,0,0,0,0|1,0,1]=4 11518 B13R0.54 C=CCCNCCCCCCC(C)C 34a_100000211014_100000754431 [1,1,0,0,0,0|1,0,1]=4 11519 B13R0.54 C=CCOCCCCCCCC(C)C 34a_200000210741_100015514636 [1,1,0,0,0,0|1,0,1]=4 11520 B13R0.54 C=CCOCCCCCCCC(C)C 7a_200000210741_100015514636 [1,1,0,0,0,0|1,0,1]=4 11521 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [1,1,0,0,0,0|1,0,0]=3 11522 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [1,1,0,0,0,0|2,0,0]=4 11523 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [1,1,0,0,0,0|2,0,0]=4 11524 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [1,1,0,0,0,0|2,0,0]=4 11525 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [1,1,0,0,0,0|2,0,0]=4 11526 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [1,1,0,0,0,0|2,0,0]=4 11527 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [1,1,0,0,0,0|2,0,0]=4 11528 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [1,1,0,0,0,0|2,0,0]=4 11529 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [1,1,0,0,0,0|2,0,0]=4 11530 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [1,1,0,0,0,0|1,0,1]=4 11531 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [1,1,0,0,0,0|1,0,1]=4 11532 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [1,1,0,0,0,0|2,0,0]=4 11533 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [1,1,0,0,0,0|2,0,0]=4 11534 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [1,1,0,0,0,0|2,0,0]=4 11535 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [1,1,0,0,0,0|2,0,0]=4 11536 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [1,1,0,0,0,0|2,0,0]=4 11537 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [1,1,0,0,0,0|1,0,1]=4 11538 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [1,1,0,0,0,0|2,0,0]=4 11539 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [1,1,0,0,0,0|2,0,0]=4 11540 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [1,1,0,0,0,0|2,0,0]=4 11541 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [1,1,0,0,0,0|2,0,0]=4 11542 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [1,1,0,0,0,0|2,0,0]=4 11543 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [1,1,0,0,0,0|2,0,0]=4 11544 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [1,1,0,0,0,0|2,0,0]=4 11545 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [1,1,0,0,0,0|2,0,0]=4 11546 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [1,1,0,0,0,0|2,0,0]=4 11547 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [1,1,0,0,0,0|2,0,0]=4 11548 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [1,1,0,0,0,0|2,0,0]=4 11549 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [1,1,0,0,0,0|1,0,1]=4 11550 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [1,1,0,0,0,0|1,0,1]=4 11551 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [1,1,0,0,0,0|2,0,0]=4 11552 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [1,1,0,0,0,0|2,0,0]=4 11553 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [1,1,0,0,0,0|2,0,0]=4 11554 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [1,1,0,0,0,0|2,0,0]=4 11555 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [1,1,0,0,0,0|2,0,0]=4 11556 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [1,1,0,0,0,0|2,0,0]=4 11557 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [1,1,0,0,0,0|2,0,0]=4 11558 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [1,1,0,0,0,0|2,0,0]=4 11559 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [1,1,0,0,0,0|2,0,0]=4 11560 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [1,1,0,0,0,0|2,0,0]=4 11561 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [1,1,0,0,0,0|2,0,0]=4 11562 B13R0.54 CC(Br)CCOCCCCCCCO 34a_100009893172_100000760002 [1,1,0,0,0,0|1,0,1]=4 11563 B13R0.54 CC(Br)COCCCCCCCCO 34a_100012180447_100000033203 [1,1,0,0,0,0|1,0,1]=4 11564 B13R0.54 CC(C)CCCCCCCOCC=O 34a_200000210741_200009817547 [1,1,0,0,0,0|1,0,0]=3 11565 B13R0.54 CC(C)CCCCCCCOCC=O 7a_200000210741_200015260668 [1,1,0,0,0,0|1,0,0]=3 11566 B13R0.54 CC(C)CCCCCCCOCCF 34a_200000210741_100011217306 [1,1,0,0,0,0|2,0,0]=4 11567 B13R0.54 CC(C)CCCCCCCOCCF 7a_200000210741_100011217306 [1,1,0,0,0,0|2,0,0]=4 11568 B13R0.54 CC(C)CCCCCCCOCCO 34a_200000210741_100000211926 [1,1,0,0,0,0|1,0,1]=4 11569 B13R0.54 CC(C)CCCCCCCOCCO 7a_200000210741_100000211926 [1,1,0,0,0,0|1,0,1]=4 11570 B13R0.54 CC(C)CCCCCCNCCCF 2230a_100000211014_100011934791 [1,1,0,0,0,0|2,0,0]=4 11571 B13R0.54 CC(C)CCCCCCNCCCF 34a_100000211014_100011934791 [1,1,0,0,0,0|2,0,0]=4 11572 B13R0.54 CC(C)CCCCCCNCCCO 2230a_100000211014_100000230001 [1,1,0,0,0,0|1,0,1]=4 11573 B13R0.54 CC(C)CCCCCCNCCCO 34a_100000211014_100000230001 [1,1,0,0,0,0|1,0,1]=4 11574 B13R0.54 CC(C)CCCCCNCCCC=O 2230a_100011290863_200011292268 [1,1,0,0,0,0|1,0,0]=3 11575 B13R0.54 CC(C)CCCCCNCCCCF 2230a_100011290863_100000729493 [1,1,0,0,0,0|2,0,0]=4 11576 B13R0.54 CC(C)CCCCCNCCCCF 34a_100011290863_100000729493 [1,1,0,0,0,0|2,0,0]=4 11577 B13R0.54 CC(C)CCCCCNCCCCO 2230a_100000750430_100000210682 [1,1,0,0,0,0|1,0,1]=4 11578 B13R0.54 CC(C)CCCCCNCCCCO 2230a_100011290863_100000210776 [1,1,0,0,0,0|1,0,1]=4 11579 B13R0.54 CC(C)CCCCCNCCCCO 34a_100000750430_100000210682 [1,1,0,0,0,0|1,0,1]=4 11580 B13R0.54 CC(C)CCCCCNCCCCO 34a_100011290863_100011216708 [1,1,0,0,0,0|1,0,1]=4 11581 B13R0.54 CC(C)CCCCCOCCCC=O 7a_100011995859_200011292268 [1,1,0,0,0,0|1,0,0]=3 11582 B13R0.54 CC(C)CCCCCOCCCCBr 34a_100011216708_100000210682 [1,1,0,0,0,0|2,0,0]=4 11583 B13R0.54 CC(C)CCCCCOCCCCCl 34a_100000210776_100000210682 [1,1,0,0,0,0|2,0,0]=4 11584 B13R0.54 CC(C)CCCCCOCCCCCl 7a_100000210776_100000210682 [1,1,0,0,0,0|2,0,0]=4 11585 B13R0.54 CC(C)CCCCCOCCCCF 34a_100011995726_100000210682 [1,1,0,0,0,0|2,0,0]=4 11586 B13R0.54 CC(C)CCCCCOCCCCF 34a_100011995859_100000729493 [1,1,0,0,0,0|2,0,0]=4 11587 B13R0.54 CC(C)CCCCCOCCCCF 7a_100011995726_100000210682 [1,1,0,0,0,0|2,0,0]=4 11588 B13R0.54 CC(C)CCCCCOCCCCF 7a_100011995859_100000729493 [1,1,0,0,0,0|2,0,0]=4 11589 B13R0.54 CC(C)CCCCCOCCCCI 34a_200012148704_100000210682 [1,1,0,0,0,0|2,0,0]=4 11590 B13R0.54 CC(C)CCCCCOCCCCN 34a_100000750430_100000210682 [1,1,0,0,0,0|2,0,0]=4 11591 B13R0.54 CC(C)CCCCCOCCCCO 34a_100011995859_100011216708 [1,1,0,0,0,0|1,0,1]=4 11592 B13R0.54 CC(C)CCCCCOCCCCO 7a_100011995859_100000210776 [1,1,0,0,0,0|1,0,1]=4 11593 B13R0.54 CC(C)CCCCCSCCCC=O 62a_100000210682_200011292268 [1,1,0,0,0,0|1,0,0]=3 11594 B13R0.54 CC(C)CCCCCSCCCC=O 62a_200011292268_100000210682 [1,1,0,0,0,0|1,0,0]=3 11595 B13R0.54 CC(C)CCCCCSCCCCF 62a_100000210682_100000729493 [1,1,0,0,0,0|2,0,0]=4 11596 B13R0.54 CC(C)CCCCCSCCCCF 62a_100000729493_100000210682 [1,1,0,0,0,0|2,0,0]=4 11597 B13R0.54 CC(C)CCCCCSCCCCO 62a_100000210682_100000210776 [1,1,0,0,0,0|1,0,1]=4 11598 B13R0.54 CC(C)CCCCCSCCCCO 62a_100000210776_100000210682 [1,1,0,0,0,0|1,0,1]=4 11599 B13R0.54 CC(C)CCCCNCCCCCO 2230a_100000762737_100011216152 [1,1,0,0,0,0|1,0,1]=4 11600 B13R0.54 CC(C)CCCCNCCCCCO 34a_100000762737_100011216152 [1,1,0,0,0,0|1,0,1]=4 11601 B13R0.54 CC(C)CCCCOCCCCC=O 7a_100011214890_100000139335 [1,1,0,0,0,0|1,0,0]=3 11602 B13R0.54 CC(C)CCCCOCCCCCBr 34a_100000746331_100011216152 [1,1,0,0,0,0|2,0,0]=4 11603 B13R0.54 CC(C)CCCCOCCCCCBr 7a_100000746331_100011216152 [1,1,0,0,0,0|2,0,0]=4 11604 B13R0.54 CC(C)CCCCOCCCCCCl 34a_100000746330_100011216152 [1,1,0,0,0,0|2,0,0]=4 11605 B13R0.54 CC(C)CCCCOCCCCCCl 7a_100000746330_100011216152 [1,1,0,0,0,0|2,0,0]=4 11606 B13R0.54 CC(C)CCCCOCCCCCF 34a_100011214890_100000729378 [1,1,0,0,0,0|2,0,0]=4 11607 B13R0.54 CC(C)CCCCOCCCCCF 7a_100011214890_100000729378 [1,1,0,0,0,0|2,0,0]=4 11608 B13R0.54 CC(C)CCCCOCCCCCI 34a_200012148887_100011216152 [1,1,0,0,0,0|2,0,0]=4 11609 B13R0.54 CC(C)CCCCOCCCCCI 7a_200012148887_100011216152 [1,1,0,0,0,0|2,0,0]=4 11610 B13R0.54 CC(C)CCCCOCCCCCN 34a_100000762737_100011216152 [1,1,0,0,0,0|2,0,0]=4 11611 B13R0.54 CC(C)CCCCOCCCCCO 34a_100011214890_100000746330 [1,1,0,0,0,0|1,0,1]=4 11612 B13R0.54 CC(C)CCCCOCCCCCO 7a_100011214890_100000746330 [1,1,0,0,0,0|1,0,1]=4 11613 B13R0.54 CC(C)CCCCSCCCCC=O 62a_100000139335_100011216152 [1,1,0,0,0,0|1,0,0]=3 11614 B13R0.54 CC(C)CCCCSCCCCC=O 62a_100011216152_100000139335 [1,1,0,0,0,0|1,0,0]=3 11615 B13R0.54 CC(C)CCCCSCCCCCF 62a_100000729378_100011216152 [1,1,0,0,0,0|2,0,0]=4 11616 B13R0.54 CC(C)CCCCSCCCCCF 62a_100011216152_100000729378 [1,1,0,0,0,0|2,0,0]=4 11617 B13R0.54 CC(C)CCCCSCCCCCO 62a_100000746330_100011216152 [1,1,0,0,0,0|1,0,1]=4 11618 B13R0.54 CC(C)CCCCSCCCCCO 62a_100011216152_100000746330 [1,1,0,0,0,0|1,0,1]=4 11619 B13R0.54 CC(C)CCCNCCCCCC=O 2230a_200000737386_100000139337 [1,1,0,0,0,0|1,0,0]=3 11620 B13R0.54 CC(C)CCCNCCCCCCF 2230a_200000737386_100015922095 [1,1,0,0,0,0|2,0,0]=4 11621 B13R0.54 CC(C)CCCNCCCCCCF 34a_200000737386_100015922095 [1,1,0,0,0,0|2,0,0]=4 11622 B13R0.54 CC(C)CCCNCCCCCCO 2230a_100000686447_100011214892 [1,1,0,0,0,0|1,0,1]=4 11623 B13R0.54 CC(C)CCCNCCCCCCO 2230a_200000737386_100000766143 [1,1,0,0,0,0|1,0,1]=4 11624 B13R0.54 CC(C)CCCNCCCCCCO 34a_100000686447_100011214892 [1,1,0,0,0,0|1,0,1]=4 11625 B13R0.54 CC(C)CCCNCCCCCCO 34a_200000737386_100000766143 [1,1,0,0,0,0|1,0,1]=4 11626 B13R0.54 CC(C)CCCOCCCCCC=O 7a_100000210774_100000139337 [1,1,0,0,0,0|1,0,0]=3 11627 B13R0.54 CC(C)CCCOCCCCCCBr 34a_100011215345_100011214892 [1,1,0,0,0,0|2,0,0]=4 11628 B13R0.54 CC(C)CCCOCCCCCCBr 7a_100011215345_100011214892 [1,1,0,0,0,0|2,0,0]=4 11629 B13R0.54 CC(C)CCCOCCCCCCCl 34a_100000766143_100011214892 [1,1,0,0,0,0|2,0,0]=4 11630 B13R0.54 CC(C)CCCOCCCCCCCl 7a_100000766143_100011214892 [1,1,0,0,0,0|2,0,0]=4 11631 B13R0.54 CC(C)CCCOCCCCCCF 34a_100000210774_100015922095 [1,1,0,0,0,0|2,0,0]=4 11632 B13R0.54 CC(C)CCCOCCCCCCF 34a_100000732779_100011214892 [1,1,0,0,0,0|2,0,0]=4 11633 B13R0.54 CC(C)CCCOCCCCCCF 7a_100000210774_100015922095 [1,1,0,0,0,0|2,0,0]=4 11634 B13R0.54 CC(C)CCCOCCCCCCF 7a_100000732779_100011214892 [1,1,0,0,0,0|2,0,0]=4 11635 B13R0.54 CC(C)CCCOCCCCCCN 34a_100000686447_100011214892 [1,1,0,0,0,0|2,0,0]=4 11636 B13R0.54 CC(C)CCCOCCCCCCO 34a_100000210774_100000766143 [1,1,0,0,0,0|1,0,1]=4 11637 B13R0.54 CC(C)CCCOCCCCCCO 7a_100000210774_100000766143 [1,1,0,0,0,0|1,0,1]=4 11638 B13R0.54 CC(C)CCCSCCCCCC=O 62a_100000139337_100011214892 [1,1,0,0,0,0|1,0,0]=3 11639 B13R0.54 CC(C)CCCSCCCCCC=O 62a_100011214892_100000139337 [1,1,0,0,0,0|1,0,0]=3 11640 B13R0.54 CC(C)CCCSCCCCCCF 62a_100011214892_100015922095 [1,1,0,0,0,0|2,0,0]=4 11641 B13R0.54 CC(C)CCCSCCCCCCF 62a_100015922095_100011214892 [1,1,0,0,0,0|2,0,0]=4 11642 B13R0.54 CC(C)CCCSCCCCCCO 62a_100000766143_100011214892 [1,1,0,0,0,0|1,0,1]=4 11643 B13R0.54 CC(C)CCCSCCCCCCO 62a_100011214892_100000766143 [1,1,0,0,0,0|1,0,1]=4 11644 B13R0.54 CC(C)CCNCCCCCCCO 2230a_100011996573_100000210312 [1,1,0,0,0,0|1,0,1]=4 11645 B13R0.54 CC(C)CCNCCCCCCCO 269862a_100011996573_100000185833 [1,1,0,0,0,0|1,0,1]=4 11646 B13R0.54 CC(C)CCNCCCCCCCO 34a_100011996573_100000210312 [1,1,0,0,0,0|1,0,1]=4 11647 B13R0.54 CC(C)CCOCCCCCCCBr 34a_100000760002_100000210312 [1,1,0,0,0,0|2,0,0]=4 11648 B13R0.54 CC(C)CCOCCCCCCCBr 7a_100000760002_100000210626 [1,1,0,0,0,0|2,0,0]=4 11649 B13R0.54 CC(C)CCOCCCCCCCN 34a_100011996573_100000210312 [1,1,0,0,0,0|2,0,0]=4 11650 B13R0.54 CC(C)CCOCCCCCCCO 34a_100000210254_100000760002 [1,1,0,0,0,0|1,0,1]=4 11651 B13R0.54 CC(C)CCOCCCCCCCO 7a_100000210254_100000760002 [1,1,0,0,0,0|1,0,1]=4 11652 B13R0.54 CC(C)CCSCCCCCCCO 62a_100000210312_100000760002 [1,1,0,0,0,0|1,0,1]=4 11653 B13R0.54 CC(C)CCSCCCCCCCO 62a_100000760002_100000210312 [1,1,0,0,0,0|1,0,1]=4 11654 B13R0.54 CC(C)CNCCCCCCCCO 2230a_100000210953_100000033203 [1,1,0,0,0,0|1,0,1]=4 11655 B13R0.54 CC(C)CNCCCCCCCCO 2230a_102515433106_100000210760 [1,1,0,0,0,0|1,0,1]=4 11656 B13R0.54 CC(C)CNCCCCCCCCO 270004a_102515433106_100000210432 [1,1,0,0,0,0|1,0,1]=4 11657 B13R0.54 CC(C)CNCCCCCCCCO 34a_100000210953_100000033203 [1,1,0,0,0,0|1,0,1]=4 11658 B13R0.54 CC(C)CNCCCCCCCCO 34a_102515433106_100000210624 [1,1,0,0,0,0|1,0,1]=4 11659 B13R0.54 CC(C)COCCCCCCCCBr 34a_100009813846_100000210624 [1,1,0,0,0,0|2,0,0]=4 11660 B13R0.54 CC(C)COCCCCCCCCBr 7a_100009813846_100000210760 [1,1,0,0,0,0|2,0,0]=4 11661 B13R0.54 CC(C)COCCCCCCCCCl 34a_100000033203_100000210624 [1,1,0,0,0,0|2,0,0]=4 11662 B13R0.54 CC(C)COCCCCCCCCCl 7a_100000033203_100000210760 [1,1,0,0,0,0|2,0,0]=4 11663 B13R0.54 CC(C)COCCCCCCCCN 34a_102515433106_100000210624 [1,1,0,0,0,0|2,0,0]=4 11664 B13R0.54 CC(C)COCCCCCCCCO 34a_100000210257_100000033203 [1,1,0,0,0,0|1,0,1]=4 11665 B13R0.54 CC(C)COCCCNCCCC=O 2230a_100000205972_200011292268 [1,1,0,0,0,0|2,0,0]=4 11666 B13R0.54 CC(C)COCCOCCCCC=O 7a_100000703358_100000139335 [1,1,0,0,0,0|2,0,0]=4 11667 B13R0.54 CC(C)CSCCCCCCCCO 62a_100000033203_100000210760 [1,1,0,0,0,0|1,0,1]=4 11668 B13R0.54 CC(C)CSCCCCCCCCO 62a_100000210624_100000033203 [1,1,0,0,0,0|1,0,1]=4 11669 B13R0.54 CC(C)CSCCOCCCCC=O 7a_200000230437_100000139335 [1,1,0,0,0,0|2,0,0]=4 11670 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100000078944_100000210206 [1,1,0,0,0,0|1,0,1]=4 11671 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100138425928_100009813782 [1,1,0,0,0,0|1,0,1]=4 11672 B13R0.54 CC(C)NCCCCCCCCCO 34a_100000078944_100000210206 [1,1,0,0,0,0|1,0,1]=4 11673 B13R0.54 CC(C)NCCCCCCCCCO 34a_100138425928_100009813782 [1,1,0,0,0,0|1,0,1]=4 11674 B13R0.54 CC(C)OCCCCCCCCCBr 34a_100009813782_100000210206 [1,1,0,0,0,0|2,0,0]=4 11675 B13R0.54 CC(C)OCCCCCCCCCBr 7a_100009813782_100000210206 [1,1,0,0,0,0|2,0,0]=4 11676 B13R0.54 CC(C)OCCCCCCCCCCl 34a_100009868337_100000210206 [1,1,0,0,0,0|2,0,0]=4 11677 B13R0.54 CC(C)OCCCCCCCCCCl 7a_100009868337_100000210206 [1,1,0,0,0,0|2,0,0]=4 11678 B13R0.54 CC(C)OCCCCCCCCCN 34a_100000078944_100000210206 [1,1,0,0,0,0|2,0,0]=4 11679 B13R0.54 CC(C)OCCCCCCCCCO 34a_100000212225_100009813782 [1,1,0,0,0,0|1,0,1]=4 11680 B13R0.54 CC(C)OCCCNCCCCC=O 2230a_100000737246_100000139335 [1,1,0,0,0,0|2,0,0]=4 11681 B13R0.54 CC(C)OCCNCCCCCC=O 2230a_100000701111_100000139337 [1,1,0,0,0,0|2,0,0]=4 11682 B13R0.54 CC(C)OCCOCCCCCC=O 7a_100000211219_100000139337 [1,1,0,0,0,0|2,0,0]=4 11683 B13R0.54 CC(C)OCCSCCCCCC=O 62a_100000139337_100000211751 [1,1,0,0,0,0|2,0,0]=4 11684 B13R0.54 CC(C)OCCSCCCCCC=O 62a_100000211751_100000139337 [1,1,0,0,0,0|2,0,0]=4 11685 B13R0.54 CC(C)SCCCCCCCCCO 62a_100000210206_100009813782 [1,1,0,0,0,0|1,0,1]=4 11686 B13R0.54 CC(C)SCCCCCCCCCO 62a_100009813782_100000210206 [1,1,0,0,0,0|1,0,1]=4 11687 B13R0.54 CC(C)SCCNCCCCCC=O 2230a_100000731138_100000139337 [1,1,0,0,0,0|2,0,0]=4 11688 B13R0.54 CC(C)SCCOCCCCCC=O 7a_200011212901_100000139337 [1,1,0,0,0,0|2,0,0]=4 11689 B13R0.54 CC(C)SCCSCCCCCC=O 62a_100000139337_100000730970 [1,1,0,0,0,0|2,0,0]=4 11690 B13R0.54 CC(C)SCCSCCCCCC=O 62a_100000730970_100000139337 [1,1,0,0,0,0|2,0,0]=4 11691 B13R0.54 CC(F)COCCCCCCCCO 34a_100015925927_100000033203 [1,1,0,0,0,0|1,0,1]=4 11692 B13R0.54 CC(O)CCCNCCCCCCO 2230a_100000686447_200000718107 [1,1,0,0,0,0|1,0,1]=4 11693 B13R0.54 CC(O)CCCNCCCCCCO 34a_100000686447_200000718107 [1,1,0,0,0,0|1,0,1]=4 11694 B13R0.54 CC(O)CCCOCCCCCCBr 34a_100011215345_200000718107 [1,1,0,0,0,0|2,0,0]=4 11695 B13R0.54 CC(O)CCCOCCCCCCBr 7a_100011215345_200000718107 [1,1,0,0,0,0|2,0,0]=4 11696 B13R0.54 CC(O)CCCOCCCCCCCl 34a_100000766143_200000718107 [1,1,0,0,0,0|2,0,0]=4 11697 B13R0.54 CC(O)CCCOCCCCCCCl 7a_100000766143_200000718107 [1,1,0,0,0,0|2,0,0]=4 11698 B13R0.54 CC(O)CCCOCCCCCCF 34a_100000732779_200000718107 [1,1,0,0,0,0|2,0,0]=4 11699 B13R0.54 CC(O)CCCOCCCCCCF 7a_100000732779_200000718107 [1,1,0,0,0,0|2,0,0]=4 11700 B13R0.54 CC(O)CCCOCCCCCCN 34a_100000686447_200000718107 [1,1,0,0,0,0|2,0,0]=4 11701 B13R0.54 CC(O)CCCSCCCCCC=O 62a_100000139337_200000718107 [1,1,0,0,0,0|1,0,0]=3 11702 B13R0.54 CC(O)CCCSCCCCCC=O 62a_200000718107_100000139337 [1,1,0,0,0,0|1,0,0]=3 11703 B13R0.54 CC(O)CCCSCCCCCCF 62a_100015922095_200000718107 [1,1,0,0,0,0|2,0,0]=4 11704 B13R0.54 CC(O)CCCSCCCCCCF 62a_200000718107_100015922095 [1,1,0,0,0,0|2,0,0]=4 11705 B13R0.54 CC(O)CCCSCCCCCCO 62a_100000766143_200000718107 [1,1,0,0,0,0|1,0,1]=4 11706 B13R0.54 CC(O)CCCSCCCCCCO 62a_200000718107_100000766143 [1,1,0,0,0,0|1,0,1]=4 11707 B13R0.54 CC(O)CCNCCCCCCCO 2230a_100011996573_100012276601 [1,1,0,0,0,0|1,0,1]=4 11708 B13R0.54 CC(O)CCNCCCCCCCO 2230a_200000755665_100000760002 [1,1,0,0,0,0|1,0,1]=4 11709 B13R0.54 CC(O)CCNCCCCCCCO 34a_100011996573_100012276601 [1,1,0,0,0,0|1,0,1]=4 11710 B13R0.54 CC(O)CCOCCCCCCCBr 34a_100000760002_100012276601 [1,1,0,0,0,0|2,0,0]=4 11711 B13R0.54 CC(O)CCOCCCCCCCBr 7a_100000760002_100012276601 [1,1,0,0,0,0|2,0,0]=4 11712 B13R0.54 CC(O)CCOCCCCCCCN 34a_100011996573_100012276601 [1,1,0,0,0,0|2,0,0]=4 11713 B13R0.54 CC(O)CCSCCCCCCCO 62a_100000760002_100012276601 [1,1,0,0,0,0|1,0,1]=4 11714 B13R0.54 CC(O)CCSCCCCCCCO 62a_100012276601_100000760002 [1,1,0,0,0,0|1,0,1]=4 11715 B13R0.54 CC(O)CNCCCCCCCCO 2230a_100000210904_100000033203 [1,1,0,0,0,0|1,0,1]=4 11716 B13R0.54 CC(O)CNCCCCCCCCO 2230a_102515433106_100011218427 [1,1,0,0,0,0|1,0,1]=4 11717 B13R0.54 CC(O)CNCCCCCCCCO 34a_100000210904_100000033203 [1,1,0,0,0,0|1,0,1]=4 11718 B13R0.54 CC(O)CNCCCCCCCCO 34a_102515433106_100011218427 [1,1,0,0,0,0|1,0,1]=4 11719 B13R0.54 CC(O)COCCCCCCCCBr 34a_100009813846_100011218427 [1,1,0,0,0,0|2,0,0]=4 11720 B13R0.54 CC(O)COCCCCCCCCBr 7a_100009813846_100011218427 [1,1,0,0,0,0|2,0,0]=4 11721 B13R0.54 CC(O)COCCCCCCCCCl 34a_100000033203_100011218427 [1,1,0,0,0,0|2,0,0]=4 11722 B13R0.54 CC(O)COCCCCCCCCCl 7a_100000033203_100011218427 [1,1,0,0,0,0|2,0,0]=4 11723 B13R0.54 CC(O)COCCCCCCCCN 34a_102515433106_100011218427 [1,1,0,0,0,0|2,0,0]=4 11724 B13R0.54 CC(O)CSCCCCCCCCO 62a_100000033203_100011218427 [1,1,0,0,0,0|1,0,1]=4 11725 B13R0.54 CC(O)CSCCCCCCCCO 62a_100011218427_100000033203 [1,1,0,0,0,0|1,0,1]=4 11726 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [1,1,0,0,0,0|0,0,2]=4 11727 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [1,1,0,0,0,0|0,0,2]=4 11728 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [1,1,0,0,0,0|0,0,0]=2 11729 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [1,1,0,0,0,0|0,0,0]=2 11730 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [1,1,0,0,0,0|0,0,0]=2 11731 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [1,1,0,0,0,0|1,0,1]=4 11732 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [1,1,0,0,0,0|1,0,1]=4 11733 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [1,1,0,0,0,0|1,0,0]=3 11734 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [1,1,0,0,0,0|1,0,0]=3 11735 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [1,1,0,0,0,0|1,0,0]=3 11736 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [1,1,0,0,0,0|1,0,0]=3 11737 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100000684558_100000210206 [1,1,0,0,0,0|1,0,1]=4 11738 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100138425928_100000210320 [1,1,0,0,0,0|1,0,1]=4 11739 B13R0.54 CCCCCCCCCCNC(C)C 34a_100000684558_100000210206 [1,1,0,0,0,0|1,0,1]=4 11740 B13R0.54 CCCCCCCCCCNC(C)C 34a_100138425928_100000210320 [1,1,0,0,0,0|1,0,1]=4 11741 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000210711_100000210206 [1,1,0,0,0,0|1,0,1]=4 11742 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000212225_100000210320 [1,1,0,0,0,0|1,0,1]=4 11743 B13R0.54 CCCCCCCCCCOC(C)C 7a_100000210711_100000210206 [1,1,0,0,0,0|1,0,1]=4 11744 B13R0.54 CCCCCCCCCCSC(C)C 62a_100000210206_100000210320 [1,1,0,0,0,0|1,0,1]=4 11745 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [1,1,0,0,0,0|1,0,0]=3 11746 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [1,1,0,0,0,0|1,0,0]=3 11747 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [1,1,0,0,0,0|1,0,0]=3 11748 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [1,1,0,0,0,0|1,0,0]=3 11749 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [1,1,0,0,0,0|1,0,0]=3 11750 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000210953_100011214924 [1,1,0,0,0,0|1,0,1]=4 11751 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000212291_100000210760 [1,1,0,0,0,0|1,0,1]=4 11752 B13R0.54 CCCCCCCCCNCC(C)C 270004a_100000212291_100000210432 [1,1,0,0,0,0|1,0,1]=4 11753 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000210953_100011214924 [1,1,0,0,0,0|1,0,1]=4 11754 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000212291_100000210624 [1,1,0,0,0,0|1,0,1]=4 11755 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [1,1,0,0,0,0|1,0,1]=4 11756 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [1,1,0,0,0,0|1,0,1]=4 11757 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [1,1,0,0,0,0|1,0,1]=4 11758 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [1,1,0,0,0,0|1,0,1]=4 11759 B13R0.54 CCCCCCCCCNCC(F)F 2230a_100000212291_100011934356 [1,1,0,0,0,0|2,0,0]=4 11760 B13R0.54 CCCCCCCCCNCC(F)F 34a_100000212291_100011934356 [1,1,0,0,0,0|2,0,0]=4 11761 B13R0.54 CCCCCCCCCNCC(F)F 34a_100000765723_100011214924 [1,1,0,0,0,0|2,0,0]=4 11762 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [1,1,0,0,0,0|1,0,1]=4 11763 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [1,1,0,0,0,0|1,0,1]=4 11764 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [1,1,0,0,0,0|2,0,0]=4 11765 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [1,1,0,0,0,0|1,0,0]=3 11766 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [1,1,0,0,0,0|1,0,0]=3 11767 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [1,1,0,0,0,0|1,0,0]=3 11768 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [1,1,0,0,0,0|1,0,0]=3 11769 B13R0.54 CCCCCCCCCOCC(C)Br 34a_100012180447_100011214924 [1,1,0,0,0,0|1,0,1]=4 11770 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210257_100011214924 [1,1,0,0,0,0|1,0,1]=4 11771 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210712_100000210624 [1,1,0,0,0,0|1,0,1]=4 11772 B13R0.54 CCCCCCCCCOCC(C)C 7a_100000210712_100000210760 [1,1,0,0,0,0|1,0,1]=4 11773 B13R0.54 CCCCCCCCCOCC(C)F 34a_100015925927_100011214924 [1,1,0,0,0,0|1,0,1]=4 11774 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [1,1,0,0,0,0|1,0,1]=4 11775 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [1,1,0,0,0,0|1,0,1]=4 11776 B13R0.54 CCCCCCCCCOCC(F)F 34a_100000210712_100011934356 [1,1,0,0,0,0|2,0,0]=4 11777 B13R0.54 CCCCCCCCCOCC(F)F 34a_100000743014_100011214924 [1,1,0,0,0,0|2,0,0]=4 11778 B13R0.54 CCCCCCCCCOCC(F)F 7a_100000210712_100011934356 [1,1,0,0,0,0|2,0,0]=4 11779 B13R0.54 CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011214924 [1,1,0,0,0,0|1,0,1]=4 11780 B13R0.54 CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011214924 [1,1,0,0,0,0|1,0,1]=4 11781 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [1,1,0,0,0,0|1,0,1]=4 11782 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [1,1,0,0,0,0|1,0,1]=4 11783 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [1,1,0,0,0,0|2,0,0]=4 11784 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [1,1,0,0,0,0|1,0,0]=3 11785 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [1,1,0,0,0,0|1,0,0]=3 11786 B13R0.54 CCCCCCCCCSCC(C)C 62a_100000210624_100000210670 [1,1,0,0,0,0|1,0,1]=4 11787 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [1,1,0,0,0,0|1,0,1]=4 11788 B13R0.54 CCCCCCCCCSCC(F)F 62a_100011934356_100000210670 [1,1,0,0,0,0|2,0,0]=4 11789 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [1,1,0,0,0,0|1,0,1]=4 11790 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [1,1,0,0,0,0|1,0,0]=3 11791 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [1,1,0,0,0,0|1,0,0]=3 11792 B13R0.54 CCCCCCCCNCCC(C)C 2230a_100000229939_100000210312 [1,1,0,0,0,0|1,0,1]=4 11793 B13R0.54 CCCCCCCCNCCC(C)C 269862a_100000229939_100000185833 [1,1,0,0,0,0|1,0,1]=4 11794 B13R0.54 CCCCCCCCNCCC(C)C 34a_100000229939_100000210312 [1,1,0,0,0,0|1,0,1]=4 11795 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [1,1,0,0,0,0|1,0,1]=4 11796 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [1,1,0,0,0,0|1,0,1]=4 11797 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [1,1,0,0,0,0|1,0,1]=4 11798 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [1,1,0,0,0,0|2,0,0]=4 11799 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [1,1,0,0,0,0|2,0,0]=4 11800 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [1,1,0,0,0,0|1,0,0]=3 11801 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [1,1,0,0,0,0|1,0,0]=3 11802 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [1,1,0,0,0,0|1,0,0]=3 11803 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [1,1,0,0,0,0|1,0,0]=3 11804 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [1,1,0,0,0,0|1,0,0]=3 11805 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [1,1,0,0,0,0|1,0,0]=3 11806 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [1,1,0,0,0,0|1,0,0]=3 11807 B13R0.54 CCCCCCCCOCCC(C)Br 34a_100009893172_100000210759 [1,1,0,0,0,0|1,0,1]=4 11808 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210232_100000210312 [1,1,0,0,0,0|1,0,1]=4 11809 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210254_100000210759 [1,1,0,0,0,0|1,0,1]=4 11810 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210232_100000210626 [1,1,0,0,0,0|1,0,1]=4 11811 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210254_100000210759 [1,1,0,0,0,0|1,0,1]=4 11812 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [1,1,0,0,0,0|1,0,1]=4 11813 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [1,1,0,0,0,0|1,0,1]=4 11814 B13R0.54 CCCCCCCCOCCC(F)F 34a_100103093639_100000210759 [1,1,0,0,0,0|2,0,0]=4 11815 B13R0.54 CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210759 [1,1,0,0,0,0|1,0,1]=4 11816 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [1,1,0,0,0,0|2,0,0]=4 11817 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [1,1,0,0,0,0|1,0,0]=3 11818 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [1,1,0,0,0,0|1,0,0]=3 11819 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [1,1,0,0,0,0|1,0,0]=3 11820 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [1,1,0,0,0,0|1,0,0]=3 11821 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210312_100000210317 [1,1,0,0,0,0|1,0,1]=4 11822 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210759_100000210312 [1,1,0,0,0,0|1,0,1]=4 11823 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [1,1,0,0,0,0|1,0,1]=4 11824 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [1,1,0,0,0,0|1,0,1]=4 11825 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [1,1,0,0,0,0|2,0,0]=4 11826 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [1,1,0,0,0,0|2,0,0]=4 11827 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [1,1,0,0,0,0|1,0,0]=3 11828 B13R0.54 CCCCCCCNCCCC(C)C 2230a_100000229938_100011214892 [1,1,0,0,0,0|1,0,1]=4 11829 B13R0.54 CCCCCCCNCCCC(C)C 2230a_200000737386_100000210681 [1,1,0,0,0,0|1,0,1]=4 11830 B13R0.54 CCCCCCCNCCCC(C)C 34a_200000737386_100000210614 [1,1,0,0,0,0|1,0,1]=4 11831 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [1,1,0,0,0,0|1,0,1]=4 11832 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [1,1,0,0,0,0|2,0,0]=4 11833 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [1,1,0,0,0,0|2,0,0]=4 11834 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [1,1,0,0,0,0|2,0,0]=4 11835 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [1,1,0,0,0,0|2,0,0]=4 11836 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [1,1,0,0,0,0|2,0,0]=4 11837 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [1,1,0,0,0,0|1,0,0]=3 11838 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [1,1,0,0,0,0|1,0,0]=3 11839 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [1,1,0,0,0,0|1,0,0]=3 11840 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [1,1,0,0,0,0|1,0,0]=3 11841 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [1,1,0,0,0,0|1,0,0]=3 11842 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [1,1,0,0,0,0|1,0,0]=3 11843 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210272_100011214892 [1,1,0,0,0,0|1,0,1]=4 11844 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210774_100000210614 [1,1,0,0,0,0|1,0,1]=4 11845 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210272_100011214892 [1,1,0,0,0,0|1,0,1]=4 11846 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210774_100000210614 [1,1,0,0,0,0|1,0,1]=4 11847 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [1,1,0,0,0,0|1,0,1]=4 11848 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [1,1,0,0,0,0|1,0,1]=4 11849 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [1,1,0,0,0,0|2,0,0]=4 11850 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [1,1,0,0,0,0|2,0,0]=4 11851 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [1,1,0,0,0,0|2,0,0]=4 11852 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [1,1,0,0,0,0|2,0,0]=4 11853 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [1,1,0,0,0,0|2,0,0]=4 11854 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [1,1,0,0,0,0|2,0,0]=4 11855 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [1,1,0,0,0,0|2,0,0]=4 11856 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [1,1,0,0,0,0|2,0,0]=4 11857 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [1,1,0,0,0,0|2,0,0]=4 11858 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [1,1,0,0,0,0|2,0,0]=4 11859 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [1,1,0,0,0,0|1,0,0]=3 11860 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [1,1,0,0,0,0|1,0,0]=3 11861 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [1,1,0,0,0,0|1,0,0]=3 11862 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [1,1,0,0,0,0|1,0,0]=3 11863 B13R0.54 CCCCCCCSCCCC(C)C 62a_100000210614_100011214892 [1,1,0,0,0,0|1,0,1]=4 11864 B13R0.54 CCCCCCCSCCCC(C)C 62a_100011214892_100000210316 [1,1,0,0,0,0|1,0,1]=4 11865 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [1,1,0,0,0,0|1,0,1]=4 11866 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [1,1,0,0,0,0|1,0,1]=4 11867 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [1,1,0,0,0,0|2,0,0]=4 11868 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [1,1,0,0,0,0|2,0,0]=4 11869 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [1,1,0,0,0,0|2,0,0]=4 11870 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [1,1,0,0,0,0|2,0,0]=4 11871 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [1,1,0,0,0,0|2,0,0]=4 11872 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [1,1,0,0,0,0|2,0,0]=4 11873 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [1,1,0,0,0,0|2,0,0]=4 11874 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [1,1,0,0,0,0|2,0,0]=4 11875 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [1,1,0,0,0,0|1,0,0]=3 11876 B13R0.54 CCCCCCNCCCCC(C)C 2230a_100000210581_100011216152 [1,1,0,0,0,0|1,0,1]=4 11877 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [1,1,0,0,0,0|2,0,0]=4 11878 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [1,1,0,0,0,0|2,0,0]=4 11879 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [1,1,0,0,0,0|2,0,0]=4 11880 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [1,1,0,0,0,0|2,0,0]=4 11881 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [1,1,0,0,0,0|1,0,0]=3 11882 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [1,1,0,0,0,0|1,0,0]=3 11883 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [1,1,0,0,0,0|1,0,0]=3 11884 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [1,1,0,0,0,0|1,0,0]=3 11885 B13R0.54 CCCCCCOCCCCC(C)C 34a_100000210259_100011216152 [1,1,0,0,0,0|1,0,1]=4 11886 B13R0.54 CCCCCCOCCCCC(C)C 34a_100011214890_100000210314 [1,1,0,0,0,0|1,0,1]=4 11887 B13R0.54 CCCCCCOCCCCC(C)C 7a_100000210259_100011216152 [1,1,0,0,0,0|1,0,1]=4 11888 B13R0.54 CCCCCCOCCCCC(C)C 7a_100011214890_100000210314 [1,1,0,0,0,0|1,0,1]=4 11889 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [1,1,0,0,0,0|2,0,0]=4 11890 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [1,1,0,0,0,0|2,0,0]=4 11891 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [1,1,0,0,0,0|2,0,0]=4 11892 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [1,1,0,0,0,0|2,0,0]=4 11893 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [1,1,0,0,0,0|2,0,0]=4 11894 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [1,1,0,0,0,0|2,0,0]=4 11895 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [1,1,0,0,0,0|2,0,0]=4 11896 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [1,1,0,0,0,0|2,0,0]=4 11897 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [1,1,0,0,0,0|2,0,0]=4 11898 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [1,1,0,0,0,0|2,0,0]=4 11899 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [1,1,0,0,0,0|2,0,0]=4 11900 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [1,1,0,0,0,0|2,0,0]=4 11901 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [1,1,0,0,0,0|1,0,0]=3 11902 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [1,1,0,0,0,0|1,0,0]=3 11903 B13R0.54 CCCCCCSCCCCC(C)C 62a_100000210314_100011216152 [1,1,0,0,0,0|1,0,1]=4 11904 B13R0.54 CCCCCCSCCCCC(C)C 62a_100011216152_100000210757 [1,1,0,0,0,0|1,0,1]=4 11905 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [1,1,0,0,0,0|2,0,0]=4 11906 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [1,1,0,0,0,0|2,0,0]=4 11907 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [1,1,0,0,0,0|2,0,0]=4 11908 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [1,1,0,0,0,0|2,0,0]=4 11909 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [1,1,0,0,0,0|2,0,0]=4 11910 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [1,1,0,0,0,0|2,0,0]=4 11911 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [1,1,0,0,0,0|1,0,0]=3 11912 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100000209983_100000210682 [1,1,0,0,0,0|1,0,1]=4 11913 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100011290863_100000210326 [1,1,0,0,0,0|1,0,1]=4 11914 B13R0.54 CCCCCNCCCCCC(C)C 34a_100011290863_100000718602 [1,1,0,0,0,0|1,0,1]=4 11915 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [1,1,0,0,0,0|2,0,0]=4 11916 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [1,1,0,0,0,0|2,0,0]=4 11917 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [1,1,0,0,0,0|2,0,0]=4 11918 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [1,1,0,0,0,0|2,0,0]=4 11919 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [1,1,0,0,0,0|1,0,0]=3 11920 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [1,1,0,0,0,0|1,0,0]=3 11921 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [1,1,0,0,0,0|1,0,0]=3 11922 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [1,1,0,0,0,0|1,0,0]=3 11923 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [1,1,0,0,0,0|1,0,0]=3 11924 B13R0.54 CCCCCOCCCCCC(C)C 34a_100000210253_100000210682 [1,1,0,0,0,0|1,0,1]=4 11925 B13R0.54 CCCCCOCCCCCC(C)C 34a_100011995859_100000718602 [1,1,0,0,0,0|1,0,1]=4 11926 B13R0.54 CCCCCOCCCCCC(C)C 7a_100000210253_100000210682 [1,1,0,0,0,0|1,0,1]=4 11927 B13R0.54 CCCCCOCCCCCC(C)C 7a_100011995859_100000210326 [1,1,0,0,0,0|1,0,1]=4 11928 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [1,1,0,0,0,0|2,0,0]=4 11929 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [1,1,0,0,0,0|2,0,0]=4 11930 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [1,1,0,0,0,0|2,0,0]=4 11931 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [1,1,0,0,0,0|2,0,0]=4 11932 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [1,1,0,0,0,0|2,0,0]=4 11933 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [1,1,0,0,0,0|2,0,0]=4 11934 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [1,1,0,0,0,0|2,0,0]=4 11935 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [1,1,0,0,0,0|2,0,0]=4 11936 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [1,1,0,0,0,0|2,0,0]=4 11937 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [1,1,0,0,0,0|1,0,0]=3 11938 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [1,1,0,0,0,0|1,0,0]=3 11939 B13R0.54 CCCCCSCCCCCC(C)C 62a_100000210326_100000210682 [1,1,0,0,0,0|1,0,1]=4 11940 B13R0.54 CCCCCSCCCCCC(C)C 62a_100000210682_100000210326 [1,1,0,0,0,0|1,0,1]=4 11941 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [1,1,0,0,0,0|2,0,0]=4 11942 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [1,1,0,0,0,0|2,0,0]=4 11943 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [1,1,0,0,0,0|2,0,0]=4 11944 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [1,1,0,0,0,0|2,0,0]=4 11945 B13R0.54 CCCCNCCCCCCC(C)C 2230a_100000211014_100000210211 [1,1,0,0,0,0|1,0,1]=4 11946 B13R0.54 CCCCNCCCCCCC(C)C 34a_100000211014_100000210210 [1,1,0,0,0,0|1,0,1]=4 11947 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [1,1,0,0,0,0|2,0,0]=4 11948 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [1,1,0,0,0,0|2,0,0]=4 11949 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [1,1,0,0,0,0|2,0,0]=4 11950 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [1,1,0,0,0,0|2,0,0]=4 11951 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [1,1,0,0,0,0|2,0,0]=4 11952 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [1,1,0,0,0,0|2,0,0]=4 11953 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [1,1,0,0,0,0|2,0,0]=4 11954 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [1,1,0,0,0,0|2,0,0]=4 11955 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [1,1,0,0,0,0|2,0,0]=4 11956 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [1,1,0,0,0,0|2,0,0]=4 11957 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [1,1,0,0,0,0|2,0,0]=4 11958 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [1,1,0,0,0,0|2,0,0]=4 11959 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [1,1,0,0,0,0|2,0,0]=4 11960 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [1,1,0,0,0,0|2,0,0]=4 11961 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [1,1,0,0,0,0|2,0,0]=4 11962 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [1,1,0,0,0,0|2,0,0]=4 11963 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [1,1,0,0,0,0|2,0,0]=4 11964 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [1,1,0,0,0,0|2,0,0]=4 11965 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [1,1,0,0,0,0|2,0,0]=4 11966 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [1,1,0,0,0,0|2,0,0]=4 11967 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [1,1,0,0,0,0|2,0,0]=4 11968 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [1,1,0,0,0,0|2,0,0]=4 11969 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [1,1,0,0,0,0|2,0,0]=4 11970 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [1,1,0,0,0,0|2,0,0]=4 11971 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [1,1,0,0,0,0|2,0,0]=4 11972 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [1,1,0,0,0,0|2,0,0]=4 11973 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [1,1,0,0,0,0|2,0,0]=4 11974 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [1,1,0,0,0,0|2,0,0]=4 11975 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [1,1,0,0,0,0|2,0,0]=4 11976 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [1,1,0,0,0,0|2,0,0]=4 11977 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [1,1,0,0,0,0|2,0,0]=4 11978 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [1,1,0,0,0,0|2,0,0]=4 11979 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [1,1,0,0,0,0|2,0,0]=4 11980 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [1,1,0,0,0,0|2,0,0]=4 11981 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [1,1,0,0,0,0|2,0,0]=4 11982 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [1,1,0,0,0,0|2,0,0]=4 11983 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [1,1,0,0,0,0|2,0,0]=4 11984 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [1,1,0,0,0,0|2,0,0]=4 11985 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [1,1,0,0,0,0|2,0,0]=4 11986 B13R0.54 CCCOCCCCCCCC(C)C 34a_200000210741_100000210303 [1,1,0,0,0,0|1,0,1]=4 11987 B13R0.54 CCCOCCCCCCCC(C)C 7a_200000210741_100000210303 [1,1,0,0,0,0|1,0,1]=4 11988 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [1,1,0,0,0,0|2,0,0]=4 11989 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [1,1,0,0,0,0|2,0,0]=4 11990 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [1,1,0,0,0,0|2,0,0]=4 11991 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [1,1,0,0,0,0|2,0,0]=4 11992 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [1,1,0,0,0,0|2,0,0]=4 11993 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [1,1,0,0,0,0|2,0,0]=4 11994 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [1,1,0,0,0,0|2,0,0]=4 11995 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [1,1,0,0,0,0|2,0,0]=4 11996 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [1,1,0,0,0,0|2,0,0]=4 11997 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [1,1,0,0,0,0|2,0,0]=4 11998 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [1,1,0,0,0,0|2,0,0]=4 11999 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [1,1,0,0,0,0|2,0,0]=4 12000 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [1,1,0,0,0,0|2,0,0]=4 12001 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [1,1,0,0,0,0|2,0,0]=4 12002 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [1,1,0,0,0,0|2,0,0]=4 12003 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [1,1,0,0,0,0|2,0,0]=4 12004 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [1,1,0,0,0,0|2,0,0]=4 12005 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [1,1,0,0,0,0|2,0,0]=4 12006 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [1,1,0,0,0,0|2,0,0]=4 12007 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [1,1,0,0,0,0|2,0,0]=4 12008 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [1,1,0,0,0,0|2,0,0]=4 12009 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [1,1,0,0,0,0|2,0,0]=4 12010 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [1,1,0,0,0,0|2,0,0]=4 12011 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [1,1,0,0,0,0|2,0,0]=4 12012 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [1,1,0,0,0,0|2,0,0]=4 12013 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [1,1,0,0,0,0|2,0,0]=4 12014 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [1,1,0,0,0,0|2,0,0]=4 12015 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [1,1,0,0,0,0|2,0,0]=4 12016 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [1,1,0,0,0,0|2,0,0]=4 12017 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [1,1,0,0,0,0|2,0,0]=4 12018 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [1,1,0,0,0,0|2,0,0]=4 12019 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [1,1,0,0,0,0|2,0,0]=4 12020 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [1,1,0,0,0,0|2,0,0]=4 12021 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [1,1,0,0,0,0|2,0,0]=4 12022 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [1,1,0,0,0,0|2,0,0]=4 12023 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [1,1,0,0,0,0|2,0,0]=4 12024 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [1,1,0,0,0,0|2,0,0]=4 12025 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [1,1,0,0,0,0|2,0,0]=4 12026 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [1,1,0,0,0,0|2,0,0]=4 12027 B13R0.54 CN(C)CCCCCCCCCCO 2230a_100102631434_100009813290 [1,1,0,0,0,0|1,0,1]=4 12028 B13R0.54 CN(C)CCCCCCCCCCO 269982a_100102631434_100009813290 [1,1,0,0,0,0|1,0,1]=4 12029 B13R0.54 CN(C)CCCCSCCCCC=O 62a_100000139335_100000690147 [1,1,0,0,0,0|2,0,0]=4 12030 B13R0.54 CN(C)CCCSCCCCCC=O 62a_100000139337_100000757444 [1,1,0,0,0,0|2,0,0]=4 12031 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [1,1,0,0,0,0|2,0,0]=4 12032 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [1,1,0,0,0,0|2,0,0]=4 12033 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [1,1,0,0,0,0|2,0,0]=4 12034 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [1,1,0,0,0,0|2,0,0]=4 12035 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [1,1,0,0,0,0|2,0,0]=4 12036 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [1,1,0,0,0,0|2,0,0]=4 12037 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [1,1,0,0,0,0|2,0,0]=4 12038 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [1,1,0,0,0,0|2,0,0]=4 12039 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [1,1,0,0,0,0|2,0,0]=4 12040 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [1,1,0,0,0,0|2,0,0]=4 12041 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [1,1,0,0,0,0|2,0,0]=4 12042 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [1,1,0,0,0,0|2,0,0]=4 12043 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [1,1,0,0,0,0|2,0,0]=4 12044 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [1,1,0,0,0,0|2,0,0]=4 12045 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [1,1,0,0,0,0|2,0,0]=4 12046 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [1,1,0,0,0,0|2,0,0]=4 12047 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [1,1,0,0,0,0|2,0,0]=4 12048 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [1,1,0,0,0,0|2,0,0]=4 12049 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [1,1,0,0,0,0|2,0,0]=4 12050 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [1,1,0,0,0,0|2,0,0]=4 12051 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [1,1,0,0,0,0|2,0,0]=4 12052 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [1,1,0,0,0,0|2,0,0]=4 12053 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [1,1,0,0,0,0|2,0,0]=4 12054 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [1,1,0,0,0,0|2,0,0]=4 12055 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [1,1,0,0,0,0|2,0,0]=4 12056 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [1,1,0,0,0,0|2,0,0]=4 12057 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [1,1,0,0,0,0|2,0,0]=4 12058 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [1,1,0,0,0,0|2,0,0]=4 12059 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [1,1,0,0,0,0|2,0,0]=4 12060 B13R0.54 CS(=O)CCCNCCCCCC=O 2230a_200000753449_100000139337 [1,1,0,0,0,0|2,0,0]=4 12061 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [1,1,0,0,0,0|2,0,0]=4 12062 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [1,1,0,0,0,0|2,0,0]=4 12063 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [1,1,0,0,0,0|2,0,0]=4 12064 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [1,1,0,0,0,0|2,0,0]=4 12065 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [1,1,0,0,0,0|2,0,0]=4 12066 B13R0.54 C[C@@H](Cl)COCCCCCCCCO 34a_100016084084_100000033203 [1,1,0,0,0,0|1,0,1]=4 12067 B13R0.54 C[C@@H](N)CCOCCCCCCCO 34a_100000706166_100000760002 [1,1,0,0,0,0|1,0,1]=4 12068 B13R0.54 C[C@@H](N)COCCCCCCCCO 34a_100000737577_100000033203 [1,1,0,0,0,0|1,0,1]=4 12069 B13R0.54 C[C@@H](O)CNCCCCCCCCO 2230a_102515433106_100009817552 [1,1,0,0,0,0|1,0,1]=4 12070 B13R0.54 C[C@@H](O)CNCCCCCCCCO 34a_102515433106_100009817552 [1,1,0,0,0,0|1,0,1]=4 12071 B13R0.54 C[C@@H](O)COCCCCCCCCBr 34a_100009813846_100009817552 [1,1,0,0,0,0|2,0,0]=4 12072 B13R0.54 C[C@@H](O)COCCCCCCCCBr 7a_100009813846_100009817552 [1,1,0,0,0,0|2,0,0]=4 12073 B13R0.54 C[C@@H](O)COCCCCCCCCCl 34a_100000033203_100009817552 [1,1,0,0,0,0|2,0,0]=4 12074 B13R0.54 C[C@@H](O)COCCCCCCCCCl 7a_100000033203_100009817552 [1,1,0,0,0,0|2,0,0]=4 12075 B13R0.54 C[C@@H](O)COCCCCCCCCN 34a_102515433106_100009817552 [1,1,0,0,0,0|2,0,0]=4 12076 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100000033203_100009817552 [1,1,0,0,0,0|1,0,1]=4 12077 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100009817552_100000033203 [1,1,0,0,0,0|1,0,1]=4 12078 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [1,1,0,0,0,0|2,0,0]=4 12079 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [1,1,0,0,0,0|2,0,0]=4 12080 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [1,1,0,0,0,0|2,0,0]=4 12081 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [1,1,0,0,0,0|2,0,0]=4 12082 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [1,1,0,0,0,0|2,0,0]=4 12083 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [1,1,0,0,0,0|2,0,0]=4 12084 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [1,1,0,0,0,0|2,0,0]=4 12085 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [1,1,0,0,0,0|2,0,0]=4 12086 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [1,1,0,0,0,0|2,0,0]=4 12087 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [1,1,0,0,0,0|2,0,0]=4 12088 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [1,1,0,0,0,0|2,0,0]=4 12089 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [1,1,0,0,0,0|2,0,0]=4 12090 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [1,1,0,0,0,0|2,0,0]=4 12091 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [1,1,0,0,0,0|2,0,0]=4 12092 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [1,1,0,0,0,0|2,0,0]=4 12093 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [1,1,0,0,0,0|2,0,0]=4 12094 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [1,1,0,0,0,0|2,0,0]=4 12095 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [1,1,0,0,0,0|2,0,0]=4 12096 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [1,1,0,0,0,0|2,0,0]=4 12097 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [1,1,0,0,0,0|2,0,0]=4 12098 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [1,1,0,0,0,0|2,0,0]=4 12099 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [1,1,0,0,0,0|2,0,0]=4 12100 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [1,1,0,0,0,0|2,0,0]=4 12101 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [1,1,0,0,0,0|2,0,0]=4 12102 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [1,1,0,0,0,0|2,0,0]=4 12103 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [1,1,0,0,0,0|2,0,0]=4 12104 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [1,1,0,0,0,0|2,0,0]=4 12105 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [1,1,0,0,0,0|2,0,0]=4 12106 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [1,1,0,0,0,0|2,0,0]=4 12107 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [1,1,0,0,0,0|2,0,0]=4 12108 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [1,1,0,0,0,0|2,0,0]=4 12109 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [1,1,0,0,0,0|2,0,0]=4 12110 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [1,1,0,0,0,0|2,0,0]=4 12111 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [1,1,0,0,0,0|2,0,0]=4 12112 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [1,1,0,0,0,0|2,0,0]=4 12113 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [1,1,0,0,0,0|2,0,0]=4 12114 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [1,1,0,0,0,0|2,0,0]=4 12115 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [1,1,0,0,0,0|2,0,0]=4 12116 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [1,1,0,0,0,0|2,0,0]=4 12117 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [1,1,0,0,0,0|2,0,0]=4 12118 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [1,1,0,0,0,0|2,0,0]=4 12119 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [1,1,0,0,0,0|2,0,0]=4 12120 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [1,1,0,0,0,0|2,0,0]=4 12121 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [1,1,0,0,0,0|2,0,0]=4 12122 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [1,1,0,0,0,0|2,0,0]=4 12123 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [1,1,0,0,0,0|2,0,0]=4 12124 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [1,1,0,0,0,0|2,0,0]=4 12125 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [1,1,0,0,0,0|2,0,0]=4 12126 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [1,1,0,0,0,0|2,0,0]=4 12127 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [1,1,0,0,0,0|2,0,0]=4 12128 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [1,1,0,0,0,0|2,0,0]=4 12129 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [1,1,0,0,0,0|2,0,0]=4 12130 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [1,1,0,0,0,0|2,0,0]=4 12131 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [1,1,0,0,0,0|2,0,0]=4 12132 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [1,1,0,0,0,0|2,0,0]=4 12133 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [1,1,0,0,0,0|2,0,0]=4 12134 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [1,1,0,0,0,0|2,0,0]=4 12135 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [1,1,0,0,0,0|2,0,0]=4 12136 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [1,1,0,0,0,0|2,0,0]=4 12137 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [1,1,0,0,0,0|2,0,0]=4 12138 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [1,1,0,0,0,0|2,0,0]=4 12139 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [1,1,0,0,0,0|2,0,0]=4 12140 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [1,1,0,0,0,0|2,0,0]=4 12141 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [1,1,0,0,0,0|2,0,0]=4 12142 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [1,1,0,0,0,0|2,0,0]=4 12143 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [1,1,0,0,0,0|0,0,2]=4 12144 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [1,1,0,0,0,0|0,0,2]=4 12145 B13R0.66 C=CCCC(C)NCCCCCCC 270004a_100000229938_100000762624 [1,1,0,0,0,0|1,0,1]=4 12146 B13R0.66 C=CCCC(C)OCCCCCCC 34a_100000765329_100000210614 [1,1,0,0,0,0|1,0,1]=4 12147 B13R0.66 C=CCCC(C)OCCCCCCC 7a_100000765329_100000210614 [1,1,0,0,0,0|1,0,1]=4 12148 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100000210183_100011215473 [1,1,0,0,0,0|0,0,2]=4 12149 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100011809334_100000210211 [1,1,0,0,0,0|0,0,2]=4 12150 B13R0.66 C=CCCCCCCN(C)CCCC 2230a_100000207549_100011215473 [1,1,0,0,0,0|1,0,1]=4 12151 B13R0.66 C=CCCCCCCN(C)CCCC 269982a_100000207549_100011215473 [1,1,0,0,0,0|1,0,1]=4 12152 B13R0.66 C=CCCCCCNC(C)CCCC 2230a_100000126638_100000700193 [1,1,0,0,0,0|1,0,1]=4 12153 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100000687866_100000700193 [1,1,0,0,0,0|1,0,1]=4 12154 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100011216702_200011215066 [1,1,0,0,0,0|1,0,1]=4 12155 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100000687866_100000700193 [1,1,0,0,0,0|1,0,1]=4 12156 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100011216702_200011215066 [1,1,0,0,0,0|1,0,1]=4 12157 B13R0.66 C=CCCCCCSC(C)CCCC 62a_100000700193_200011215066 [1,1,0,0,0,0|1,0,1]=4 12158 B13R0.66 C=CCCCCCSC(C)CCCC 62a_200011215066_100000700193 [1,1,0,0,0,0|1,0,1]=4 12159 B13R0.66 C=CCCCCOCC(C)CCCC 34a_100011995851_100011215482 [1,1,0,0,0,0|1,0,1]=4 12160 B13R0.66 C=CCCCCOCC(C)CCCC 7a_100011995851_100011215482 [1,1,0,0,0,0|1,0,1]=4 12161 B13R0.66 C=CCCCCOC[C@@H](N)CCCC 34a_100011934283_100011215482 [1,1,0,0,0,0|1,0,1]=4 12162 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100000207567_100000754431 [1,1,0,0,0,0|1,0,1]=4 12163 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100020639649_100000210759 [1,1,0,0,0,0|1,0,1]=4 12164 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100000207567_100000754431 [1,1,0,0,0,0|1,0,1]=4 12165 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100020639649_100000210759 [1,1,0,0,0,0|1,0,1]=4 12166 B13R0.66 C=CCNC(C)CCCCCCCC 270004a_100020586998_100011216694 [1,1,0,0,0,0|1,0,1]=4 12167 B13R0.66 C=CCOC(C)CCCCCCCC 34a_100000210740_100015514636 [1,1,0,0,0,0|1,0,1]=4 12168 B13R0.66 C=CCOC(C)CCCCCCCC 7a_100000210740_100015514636 [1,1,0,0,0,0|1,0,1]=4 12169 B13R0.66 C=CCOCCCCC(C)CCCC 34a_200011021034_100015514636 [1,1,0,0,0,0|1,0,1]=4 12170 B13R0.66 C=CCOCCCCC(C)CCCC 7a_200011021034_100015514636 [1,1,0,0,0,0|1,0,1]=4 12171 B13R0.66 CC(CCCCl)OCCCCCC=O 7a_200000718107_100000139337 [1,1,0,0,0,0|2,0,0]=4 12172 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100000210183_100000760002 [1,1,0,0,0,0|0,0,2]=4 12173 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100011219782_100000210211 [1,1,0,0,0,0|0,0,2]=4 12174 B13R0.66 CCCCC(C)CCCCOCC=O 34a_200011021034_200009817547 [1,1,0,0,0,0|1,0,0]=3 12175 B13R0.66 CCCCC(C)CCCCOCC=O 7a_200011021034_200015260668 [1,1,0,0,0,0|1,0,0]=3 12176 B13R0.66 CCCCC(C)CCCCOCCC 34a_200011021034_100000210303 [1,1,0,0,0,0|1,0,1]=4 12177 B13R0.66 CCCCC(C)CCCCOCCC 7a_200011021034_100000210303 [1,1,0,0,0,0|1,0,1]=4 12178 B13R0.66 CCCCC(C)CCCCOCCF 34a_200011021034_100011217306 [1,1,0,0,0,0|2,0,0]=4 12179 B13R0.66 CCCCC(C)CCCCOCCF 7a_200011021034_100011217306 [1,1,0,0,0,0|2,0,0]=4 12180 B13R0.66 CCCCC(C)CCCCOCCO 34a_200011021034_100000211926 [1,1,0,0,0,0|1,0,1]=4 12181 B13R0.66 CCCCC(C)CCCCOCCO 7a_200011021034_100000211926 [1,1,0,0,0,0|1,0,1]=4 12182 B13R0.66 CCCCC(C)COCCCCC=O 7a_100011995851_100000139335 [1,1,0,0,0,0|1,0,0]=3 12183 B13R0.66 CCCCC(C)COCCCCCF 34a_100011995851_100000729378 [1,1,0,0,0,0|2,0,0]=4 12184 B13R0.66 CCCCC(C)COCCCCCF 7a_100011995851_100000729378 [1,1,0,0,0,0|2,0,0]=4 12185 B13R0.66 CCCCC(C)COCCCCCO 34a_100011995851_100000746330 [1,1,0,0,0,0|1,0,1]=4 12186 B13R0.66 CCCCC(C)COCCCCCO 7a_100011995851_100000746330 [1,1,0,0,0,0|1,0,1]=4 12187 B13R0.66 CCCCC(C)NCCCCCC=O 2230a_100000126638_100000139337 [1,1,0,0,0,0|1,0,0]=3 12188 B13R0.66 CCCCC(C)NCCCCCCF 2230a_100000126638_100015922095 [1,1,0,0,0,0|2,0,0]=4 12189 B13R0.66 CCCCC(C)NCCCCCCO 2230a_100000126638_100000766143 [1,1,0,0,0,0|1,0,1]=4 12190 B13R0.66 CCCCC(C)NCCCCCCO 2230a_100000686447_200011215066 [1,1,0,0,0,0|1,0,1]=4 12191 B13R0.66 CCCCC(C)NCCCCCCO 270004a_100000686447_100000210087 [1,1,0,0,0,0|1,0,1]=4 12192 B13R0.66 CCCCC(C)NCCCCCCO 34a_100000686447_200011215066 [1,1,0,0,0,0|1,0,1]=4 12193 B13R0.66 CCCCC(C)OCCCCCC=O 7a_100000687866_100000139337 [1,1,0,0,0,0|1,0,0]=3 12194 B13R0.66 CCCCC(C)OCCCCCCBr 34a_100011215345_200011215066 [1,1,0,0,0,0|2,0,0]=4 12195 B13R0.66 CCCCC(C)OCCCCCCBr 7a_100011215345_200011215066 [1,1,0,0,0,0|2,0,0]=4 12196 B13R0.66 CCCCC(C)OCCCCCCCl 34a_100000766143_200011215066 [1,1,0,0,0,0|2,0,0]=4 12197 B13R0.66 CCCCC(C)OCCCCCCCl 7a_100000766143_200011215066 [1,1,0,0,0,0|2,0,0]=4 12198 B13R0.66 CCCCC(C)OCCCCCCF 34a_100000687866_100015922095 [1,1,0,0,0,0|2,0,0]=4 12199 B13R0.66 CCCCC(C)OCCCCCCF 34a_100000732779_200011215066 [1,1,0,0,0,0|2,0,0]=4 12200 B13R0.66 CCCCC(C)OCCCCCCF 7a_100000687866_100015922095 [1,1,0,0,0,0|2,0,0]=4 12201 B13R0.66 CCCCC(C)OCCCCCCF 7a_100000732779_200011215066 [1,1,0,0,0,0|2,0,0]=4 12202 B13R0.66 CCCCC(C)OCCCCCCN 34a_100000686447_200011215066 [1,1,0,0,0,0|2,0,0]=4 12203 B13R0.66 CCCCC(C)OCCCCCCO 34a_100000687866_100000766143 [1,1,0,0,0,0|1,0,1]=4 12204 B13R0.66 CCCCC(C)OCCCCCCO 7a_100000687866_100000766143 [1,1,0,0,0,0|1,0,1]=4 12205 B13R0.66 CCCCC(C)SCCCCCC=O 62a_100000139337_200011215066 [1,1,0,0,0,0|1,0,0]=3 12206 B13R0.66 CCCCC(C)SCCCCCC=O 62a_200011215066_100000139337 [1,1,0,0,0,0|1,0,0]=3 12207 B13R0.66 CCCCC(C)SCCCCCCF 62a_100015922095_200011215066 [1,1,0,0,0,0|2,0,0]=4 12208 B13R0.66 CCCCC(C)SCCCCCCF 62a_200011215066_100015922095 [1,1,0,0,0,0|2,0,0]=4 12209 B13R0.66 CCCCC(C)SCCCCCCO 62a_100000766143_200011215066 [1,1,0,0,0,0|1,0,1]=4 12210 B13R0.66 CCCCC(C)SCCCCCCO 62a_200011215066_100000766143 [1,1,0,0,0,0|1,0,1]=4 12211 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [1,1,0,0,0,0|0,0,2]=4 12212 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [1,1,0,0,0,0|0,0,2]=4 12213 B13R0.66 CCCCCCCCC(=O)CCCF 1458a_100000210188_100011934791 [1,1,0,0,0,0|1,0,1]=4 12214 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [1,1,0,0,0,0|0,0,2]=4 12215 B13R0.66 CCCCCCCCC(C)CNCC 270004a_100015525214_100011995885 [1,1,0,0,0,0|1,0,1]=4 12216 B13R0.66 CCCCCCCCC(C)COCC 34a_200012125181_100000210202 [1,1,0,0,0,0|1,0,1]=4 12217 B13R0.66 CCCCCCCCC(C)COCC 7a_200012125181_100000210202 [1,1,0,0,0,0|1,0,1]=4 12218 B13R0.66 CCCCCCCCC(C)COCF 34a_200012125181_100015361967 [1,1,0,0,0,0|2,0,0]=4 12219 B13R0.66 CCCCCCCCC(C)COCF 7a_200012125181_100015361967 [1,1,0,0,0,0|2,0,0]=4 12220 B13R0.66 CCCCCCCCC(C)NCCC 270004a_100020643023_100011216694 [1,1,0,0,0,0|1,0,1]=4 12221 B13R0.66 CCCCCCCCC(C)NCCO 270004a_100000210304_100011216694 [1,1,0,0,0,0|1,0,1]=4 12222 B13R0.66 CCCCCCCCC(C)OCC=O 34a_100000210740_200009817547 [1,1,0,0,0,0|1,0,0]=3 12223 B13R0.66 CCCCCCCCC(C)OCC=O 7a_100000210740_200015260668 [1,1,0,0,0,0|1,0,0]=3 12224 B13R0.66 CCCCCCCCC(C)OCCC 34a_100000210740_100000210303 [1,1,0,0,0,0|1,0,1]=4 12225 B13R0.66 CCCCCCCCC(C)OCCC 7a_100000210740_100000210303 [1,1,0,0,0,0|1,0,1]=4 12226 B13R0.66 CCCCCCCCC(C)OCCF 34a_100000210740_100011217306 [1,1,0,0,0,0|2,0,0]=4 12227 B13R0.66 CCCCCCCCC(C)OCCF 7a_100000210740_100011217306 [1,1,0,0,0,0|2,0,0]=4 12228 B13R0.66 CCCCCCCCC(C)OCCO 34a_100000210740_100000211926 [1,1,0,0,0,0|1,0,1]=4 12229 B13R0.66 CCCCCCCCC(C)OCCO 7a_100000210740_100000211926 [1,1,0,0,0,0|1,0,1]=4 12230 B13R0.66 CCCCCCCCN(C)CCCC 2230a_100000207549_100000210759 [1,1,0,0,0,0|1,0,1]=4 12231 B13R0.66 CCCCCCCCN(C)CCCC 2230a_100000207567_100000210211 [1,1,0,0,0,0|1,0,1]=4 12232 B13R0.66 CCCCCCCCN(C)CCCC 269982a_100000207549_100000210759 [1,1,0,0,0,0|1,0,1]=4 12233 B13R0.66 CCCCCCCCN(C)CCCC 269982a_100000207567_100000210211 [1,1,0,0,0,0|1,0,1]=4 12234 B13R0.66 CCCCCCCCN(C)CCCF 2230a_100000207567_100011934791 [1,1,0,0,0,0|2,0,0]=4 12235 B13R0.66 CCCCCCCCN(C)CCCF 269982a_100000207567_100011934791 [1,1,0,0,0,0|2,0,0]=4 12236 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000207567_100000230001 [1,1,0,0,0,0|1,0,1]=4 12237 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000213112_100000210759 [1,1,0,0,0,0|1,0,1]=4 12238 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000207567_100011215043 [1,1,0,0,0,0|1,0,1]=4 12239 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000213112_100000210759 [1,1,0,0,0,0|1,0,1]=4 12240 B13R0.66 CCCCCCCNC(C)CCCC 2230a_100000126638_100000210681 [1,1,0,0,0,0|1,0,1]=4 12241 B13R0.66 CCCCCCCNC(C)CCCC 2230a_100000229938_200011215066 [1,1,0,0,0,0|1,0,1]=4 12242 B13R0.66 CCCCCCCNC(C)CCCC 270004a_100000229938_100000210087 [1,1,0,0,0,0|1,0,1]=4 12243 B13R0.66 CCCCCCCOC(C)CCCC 34a_100000210272_200011215066 [1,1,0,0,0,0|1,0,1]=4 12244 B13R0.66 CCCCCCCOC(C)CCCC 34a_100000687866_100000210614 [1,1,0,0,0,0|1,0,1]=4 12245 B13R0.66 CCCCCCCOC(C)CCCC 7a_100000210272_200011215066 [1,1,0,0,0,0|1,0,1]=4 12246 B13R0.66 CCCCCCCOC(C)CCCC 7a_100000687866_100000210614 [1,1,0,0,0,0|1,0,1]=4 12247 B13R0.66 CCCCCCCOC(C)CCCCl 34a_200000718107_100000210614 [1,1,0,0,0,0|2,0,0]=4 12248 B13R0.66 CCCCCCCOC(C)CCCCl 7a_200000718107_100000210614 [1,1,0,0,0,0|2,0,0]=4 12249 B13R0.66 CCCCCCCSC(C)CCCC 62a_100000210614_200011215066 [1,1,0,0,0,0|1,0,1]=4 12250 B13R0.66 CCCCCCCSC(C)CCCC 62a_200011215066_100000210316 [1,1,0,0,0,0|1,0,1]=4 12251 B13R0.66 CCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210314 [1,1,0,0,0,0|1,0,1]=4 12252 B13R0.66 CCCCCCNC[C@H](C)CCCO 34a_100160569302_100000210314 [1,1,0,0,0,0|1,0,1]=4 12253 B13R0.66 CCCCCCOCC(C)CCCC 34a_100011995851_100000210314 [1,1,0,0,0,0|1,0,1]=4 12254 B13R0.66 CCCCCCOCC(C)CCCC 7a_100011995851_100000210314 [1,1,0,0,0,0|1,0,1]=4 12255 B13R0.66 CCCCCCOC[C@@H](N)CCCC 34a_100011934283_100000210314 [1,1,0,0,0,0|1,0,1]=4 12256 B13R0.66 CCCCN(C)CCCCCCCO 2230a_100000207549_100000760002 [1,1,0,0,0,0|1,0,1]=4 12257 B13R0.66 CCCCN(C)CCCCCCCO 269982a_100000207549_100000760002 [1,1,0,0,0,0|1,0,1]=4 12258 B13R0.66 CCCC[C@H](N)COCCCCCF 34a_100011934283_100000729378 [1,1,0,0,0,0|2,0,0]=4 12259 B13R0.66 CCCC[C@H](N)COCCCCCO 34a_100011934283_100000746330 [1,1,0,0,0,0|1,0,1]=4 12260 B13R0.66 CCCOC(C)CNCCCCC=O 2230a_100015185124_100000139335 [1,1,0,0,0,0|2,0,0]=4 12261 B13R0.66 CCOCC(C)OCCCCCC=O 7a_100000718985_100000139337 [1,1,0,0,0,0|2,0,0]=4 12262 B13R0.66 CCOCC(O)CNCCCCC=O 2230a_102515437182_100000139335 [1,1,0,0,0,0|2,0,0]=4 12263 B13R0.66 C[C@H](CCCO)CNCCCCC=O 2230a_100160569302_100000139335 [1,1,0,0,0,0|2,0,0]=4 12264 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [1,1,0,0,0,0|0,0,2]=4 12265 B13R0.147 C=CC(C)COCCCCCCCC 34a_100011215527_100000210759 [1,1,0,0,0,0|1,0,1]=4 12266 B13R0.147 C=CC(C)COCCCCCCCC 7a_100011215527_100000210759 [1,1,0,0,0,0|1,0,1]=4 12267 B13R0.147 C=CC(C)OCCCCCCCCC 34a_100000695699_100011214924 [1,1,0,0,0,0|1,0,1]=4 12268 B13R0.147 C=CC(C)SCCCCCCCCC 62a_100011215867_100000210670 [1,1,0,0,0,0|1,0,1]=4 12269 B13R0.147 C=CC(O)CNCCCCCCCC 2230a_100000229939_100000730141 [1,1,0,0,0,0|1,0,1]=4 12270 B13R0.147 C=CC(O)CNCCCCCCCC 34a_100000229939_100000730141 [1,1,0,0,0,0|1,0,1]=4 12271 B13R0.147 C=CC(O)COCCCCCCCC 34a_100000210232_100000730141 [1,1,0,0,0,0|1,0,1]=4 12272 B13R0.147 C=CC(O)COCCCCCCCC 7a_100000210232_100000730141 [1,1,0,0,0,0|1,0,1]=4 12273 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000210759_100000730141 [1,1,0,0,0,0|1,0,1]=4 12274 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000730141_100000210317 [1,1,0,0,0,0|1,0,1]=4 12275 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [1,1,0,0,0,0|0,0,2]=4 12276 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [1,1,0,0,0,0|0,0,2]=4 12277 B13R0.147 C=CCCCCCCCCN(C)CC 2230a_100000225621_100011933949 [1,1,0,0,0,0|1,0,1]=4 12278 B13R0.147 C=CCCCCCCCCN(C)CC 269982a_100000225621_100011933949 [1,1,0,0,0,0|1,0,1]=4 12279 B13R0.147 C=CCCCCCCCNC(C)CC 2230a_100000209981_100012355270 [1,1,0,0,0,0|1,0,1]=4 12280 B13R0.147 C=CCCCCCCCOC(C)CC 34a_100000730831_100011215416 [1,1,0,0,0,0|1,0,1]=4 12281 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000210228_100012355270 [1,1,0,0,0,0|1,0,1]=4 12282 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000730831_100000758301 [1,1,0,0,0,0|1,0,1]=4 12283 B13R0.147 C=CCCCCCCCSC(C)CC 62a_100000758301_100012355270 [1,1,0,0,0,0|1,0,1]=4 12284 B13R0.147 C=CCCCCCCCSC(C)CC 62a_100012355270_100000758301 [1,1,0,0,0,0|1,0,1]=4 12285 B13R0.147 C=CCCCCCCNCC(C)CC 2230a_100020588543_100011215473 [1,1,0,0,0,0|1,0,1]=4 12286 B13R0.147 C=CCCCCCCNCC(O)CC 2230a_100011218483_100011215473 [1,1,0,0,0,0|1,0,1]=4 12287 B13R0.147 C=CCCCCCCOCC(C)CC 34a_200011216477_100000748023 [1,1,0,0,0,0|1,0,1]=4 12288 B13R0.147 C=CCCCCCCOCC(C)CC 7a_200011216477_100000748023 [1,1,0,0,0,0|1,0,1]=4 12289 B13R0.147 C=CCCCCCCOCC(O)CC 34a_200011216477_100011218378 [1,1,0,0,0,0|1,0,1]=4 12290 B13R0.147 C=CCCCCCCOCC(O)CC 7a_200011216477_100011218378 [1,1,0,0,0,0|1,0,1]=4 12291 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 34a_200011216477_100009816398 [1,1,0,0,0,0|1,0,1]=4 12292 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_100009816381_100011215473 [1,1,0,0,0,0|1,0,1]=4 12293 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_200011216477_100009816398 [1,1,0,0,0,0|1,0,1]=4 12294 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100000748023_100011215473 [1,1,0,0,0,0|1,0,1]=4 12295 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100011215473_100000748023 [1,1,0,0,0,0|1,0,1]=4 12296 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011215473_100011218378 [1,1,0,0,0,0|1,0,1]=4 12297 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011218378_100011215473 [1,1,0,0,0,0|1,0,1]=4 12298 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100009816398_100011215473 [1,1,0,0,0,0|1,0,1]=4 12299 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100011215473_100009816398 [1,1,0,0,0,0|1,0,1]=4 12300 B13R0.147 C=CCCCCCNCCC(C)CC 2230a_100020591266_100000700193 [1,1,0,0,0,0|1,0,1]=4 12301 B13R0.147 C=CCCCCCOCCC(C)CC 7a_100011215188_100000700193 [1,1,0,0,0,0|1,0,1]=4 12302 B13R0.147 C=CCCCCOCCCC(C)CC 7a_100011216074_100011215482 [1,1,0,0,0,0|1,0,1]=4 12303 B13R0.147 C=CCCOCCCCCC(C)CC 7a_200000035636_100000754431 [1,1,0,0,0,0|1,0,1]=4 12304 B13R0.147 C=C[C@H](N)COCCCCCCCC 34a_100016989147_100000210759 [1,1,0,0,0,0|1,0,1]=4 12305 B13R0.147 CC(CO)CCNCCCCCC=O 2230a_106354213184_100000139337 [1,1,0,0,0,0|2,0,0]=4 12306 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [1,1,0,0,0,0|1,0,1]=4 12307 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [1,1,0,0,0,0|0,0,2]=4 12308 B13R0.147 CCC(C)CCCCCOCCCF 7a_200000035636_100011934791 [1,1,0,0,0,0|2,0,0]=4 12309 B13R0.147 CCC(C)CCCCCOCCCO 7a_200000035636_100011215043 [1,1,0,0,0,0|1,0,1]=4 12310 B13R0.147 CCC(C)CCCOCCCCC=O 7a_100011216074_100000139335 [1,1,0,0,0,0|1,0,0]=3 12311 B13R0.147 CCC(C)CCCOCCCCCF 7a_100011216074_100000729378 [1,1,0,0,0,0|2,0,0]=4 12312 B13R0.147 CCC(C)CCCOCCCCCO 7a_100011216074_100000746330 [1,1,0,0,0,0|1,0,1]=4 12313 B13R0.147 CCC(C)CCNCCCCCC=O 2230a_100020591266_100000139337 [1,1,0,0,0,0|1,0,0]=3 12314 B13R0.147 CCC(C)CCNCCCCCCF 2230a_100020591266_100015922095 [1,1,0,0,0,0|2,0,0]=4 12315 B13R0.147 CCC(C)CCNCCCCCCO 2230a_100020591266_100000766143 [1,1,0,0,0,0|1,0,1]=4 12316 B13R0.147 CCC(C)CCOCCCCCC=O 7a_100011215188_100000139337 [1,1,0,0,0,0|1,0,0]=3 12317 B13R0.147 CCC(C)CCOCCCCCCF 7a_100011215188_100015922095 [1,1,0,0,0,0|2,0,0]=4 12318 B13R0.147 CCC(C)CCOCCCCCCO 7a_100011215188_100000766143 [1,1,0,0,0,0|1,0,1]=4 12319 B13R0.147 CCC(C)CNCCCCCCCO 2230a_100011996573_100000748023 [1,1,0,0,0,0|1,0,1]=4 12320 B13R0.147 CCC(C)CNCCCCCCCO 2230a_100020588543_100000760002 [1,1,0,0,0,0|1,0,1]=4 12321 B13R0.147 CCC(C)CNCCCCCCCO 270004a_100011996573_100000243153 [1,1,0,0,0,0|1,0,1]=4 12322 B13R0.147 CCC(C)CNCCCCCCCO 34a_100011996573_100000748023 [1,1,0,0,0,0|1,0,1]=4 12323 B13R0.147 CCC(C)COCCCCCCCBr 34a_100000760002_100000748023 [1,1,0,0,0,0|2,0,0]=4 12324 B13R0.147 CCC(C)COCCCCCCCBr 7a_100000760002_100000748023 [1,1,0,0,0,0|2,0,0]=4 12325 B13R0.147 CCC(C)COCCCCCCCN 34a_100011996573_100000748023 [1,1,0,0,0,0|2,0,0]=4 12326 B13R0.147 CCC(C)CSCCCCCCCO 62a_100000748023_100000760002 [1,1,0,0,0,0|1,0,1]=4 12327 B13R0.147 CCC(C)CSCCCCCCCO 62a_100000760002_100000748023 [1,1,0,0,0,0|1,0,1]=4 12328 B13R0.147 CCC(C)NCCCCCCCCO 2230a_100000209981_100000033203 [1,1,0,0,0,0|1,0,1]=4 12329 B13R0.147 CCC(C)NCCCCCCCCO 2230a_102515433106_100000758301 [1,1,0,0,0,0|1,0,1]=4 12330 B13R0.147 CCC(C)NCCCCCCCCO 34a_102515433106_100011215416 [1,1,0,0,0,0|1,0,1]=4 12331 B13R0.147 CCC(C)OCCCCCCCCBr 34a_100009813846_100011215416 [1,1,0,0,0,0|2,0,0]=4 12332 B13R0.147 CCC(C)OCCCCCCCCBr 7a_100009813846_100000758301 [1,1,0,0,0,0|2,0,0]=4 12333 B13R0.147 CCC(C)OCCCCCCCCCl 34a_100000033203_100011215416 [1,1,0,0,0,0|2,0,0]=4 12334 B13R0.147 CCC(C)OCCCCCCCCCl 7a_100000033203_100000758301 [1,1,0,0,0,0|2,0,0]=4 12335 B13R0.147 CCC(C)OCCCCCCCCN 34a_102515433106_100011215416 [1,1,0,0,0,0|2,0,0]=4 12336 B13R0.147 CCC(C)OCCCCCCCCO 7a_100000210228_100000033203 [1,1,0,0,0,0|1,0,1]=4 12337 B13R0.147 CCC(C)SCCCCCCCCO 62a_100000033203_100000758301 [1,1,0,0,0,0|1,0,1]=4 12338 B13R0.147 CCC(C)SCCCCCCCCO 62a_100000758301_100000033203 [1,1,0,0,0,0|1,0,1]=4 12339 B13R0.147 CCC(O)CNCCCCCCCO 2230a_100011218483_100000760002 [1,1,0,0,0,0|1,0,1]=4 12340 B13R0.147 CCC(O)CNCCCCCCCO 2230a_100011996573_100011218378 [1,1,0,0,0,0|1,0,1]=4 12341 B13R0.147 CCC(O)CNCCCCCCCO 34a_100011996573_100011218378 [1,1,0,0,0,0|1,0,1]=4 12342 B13R0.147 CCC(O)COCCCCCCCBr 34a_100000760002_100011218378 [1,1,0,0,0,0|2,0,0]=4 12343 B13R0.147 CCC(O)COCCCCCCCBr 7a_100000760002_100011218378 [1,1,0,0,0,0|2,0,0]=4 12344 B13R0.147 CCC(O)COCCCCCCCN 34a_100011996573_100011218378 [1,1,0,0,0,0|2,0,0]=4 12345 B13R0.147 CCC(O)CSCCCCCCCO 62a_100000760002_100011218378 [1,1,0,0,0,0|1,0,1]=4 12346 B13R0.147 CCC(O)CSCCCCCCCO 62a_100011218378_100000760002 [1,1,0,0,0,0|1,0,1]=4 12347 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [1,1,0,0,0,0|0,0,2]=4 12348 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [1,1,0,0,0,0|0,0,2]=4 12349 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [1,1,0,0,0,0|1,0,1]=4 12350 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [1,1,0,0,0,0|0,0,2]=4 12351 B13R0.147 CCCCCCCCCCC(C)NC 270004a_106832991635_200011219864 [1,1,0,0,0,0|1,0,1]=4 12352 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [1,1,0,0,0,0|1,0,1]=4 12353 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [1,1,0,0,0,0|1,0,1]=4 12354 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [1,1,0,0,0,0|1,0,1]=4 12355 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [1,1,0,0,0,0|1,0,1]=4 12356 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000207566_100000210202 [1,1,0,0,0,0|1,0,1]=4 12357 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000225621_100000210320 [1,1,0,0,0,0|1,0,1]=4 12358 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000207566_100000204670 [1,1,0,0,0,0|1,0,1]=4 12359 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000225621_100000210320 [1,1,0,0,0,0|1,0,1]=4 12360 B13R0.147 CCCCCCCCCCN(C)CF 269982a_100000207566_100015361967 [1,1,0,0,0,0|2,0,0]=4 12361 B13R0.147 CCCCCCCCCNC(C)CC 2230a_100000209981_100011214924 [1,1,0,0,0,0|1,0,1]=4 12362 B13R0.147 CCCCCCCCCNC(C)CC 2230a_100000212291_100000758301 [1,1,0,0,0,0|1,0,1]=4 12363 B13R0.147 CCCCCCCCCNC(C)CC 34a_100000212291_100011215416 [1,1,0,0,0,0|1,0,1]=4 12364 B13R0.147 CCCCCCCCCNC(C)CO 2230a_100000212291_100012180447 [1,1,0,0,0,0|1,0,1]=4 12365 B13R0.147 CCCCCCCCCNC(C)CO 34a_100000212291_100012180447 [1,1,0,0,0,0|1,0,1]=4 12366 B13R0.147 CCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011214924 [1,1,0,0,0,0|1,0,1]=4 12367 B13R0.147 CCCCCCCCCOC(C)CC 34a_100000210712_100011215416 [1,1,0,0,0,0|1,0,1]=4 12368 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210228_100000210328 [1,1,0,0,0,0|1,0,1]=4 12369 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210712_100000758301 [1,1,0,0,0,0|1,0,1]=4 12370 B13R0.147 CCCCCCCCCOC(C)CF 34a_100016041109_100011214924 [1,1,0,0,0,0|2,0,0]=4 12371 B13R0.147 CCCCCCCCCOC(C)CF 7a_100016041109_100000210328 [1,1,0,0,0,0|2,0,0]=4 12372 B13R0.147 CCCCCCCCCOC(C)CN 34a_100000210904_100011214924 [1,1,0,0,0,0|2,0,0]=4 12373 B13R0.147 CCCCCCCCCOC(C)CO 34a_100000210712_100012180447 [1,1,0,0,0,0|1,0,1]=4 12374 B13R0.147 CCCCCCCCCOC(C)CO 7a_100000210712_100012180447 [1,1,0,0,0,0|1,0,1]=4 12375 B13R0.147 CCCCCCCCCSC(C)CC 62a_100000758301_100000210670 [1,1,0,0,0,0|1,0,1]=4 12376 B13R0.147 CCCCCCCCCSC(C)CO 62a_100012180447_100000210670 [1,1,0,0,0,0|1,0,1]=4 12377 B13R0.147 CCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210670 [1,1,0,0,0,0|1,0,1]=4 12378 B13R0.147 CCCCCCCCNCC(C)CC 2230a_100000229939_100000748023 [1,1,0,0,0,0|1,0,1]=4 12379 B13R0.147 CCCCCCCCNCC(C)CC 2230a_100020588543_100000210759 [1,1,0,0,0,0|1,0,1]=4 12380 B13R0.147 CCCCCCCCNCC(C)CC 270004a_100000229939_100000243153 [1,1,0,0,0,0|1,0,1]=4 12381 B13R0.147 CCCCCCCCNCC(C)CC 34a_100000229939_100000748023 [1,1,0,0,0,0|1,0,1]=4 12382 B13R0.147 CCCCCCCCNCC(C)CO 34a_100000744482_100000210759 [1,1,0,0,0,0|1,0,1]=4 12383 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100000229939_100011218378 [1,1,0,0,0,0|1,0,1]=4 12384 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100011218483_100000210759 [1,1,0,0,0,0|1,0,1]=4 12385 B13R0.147 CCCCCCCCNCC(O)CC 34a_100000229939_100011218378 [1,1,0,0,0,0|1,0,1]=4 12386 B13R0.147 CCCCCCCCNCC(O)CO 2230a_100000229939_100011219619 [1,1,0,0,0,0|1,0,1]=4 12387 B13R0.147 CCCCCCCCNCC(O)CO 34a_100000229939_100011219619 [1,1,0,0,0,0|1,0,1]=4 12388 B13R0.147 CCCCCCCCNC[C@@H](C)CC 2230a_100000229939_100009816398 [1,1,0,0,0,0|1,0,1]=4 12389 B13R0.147 CCCCCCCCNC[C@@H](C)CC 34a_100000229939_100009816398 [1,1,0,0,0,0|1,0,1]=4 12390 B13R0.147 CCCCCCCCNC[C@@H](C)CO 2230a_100000229939_100000059175 [1,1,0,0,0,0|1,0,1]=4 12391 B13R0.147 CCCCCCCCNC[C@@H](C)CO 34a_100000229939_100000059175 [1,1,0,0,0,0|1,0,1]=4 12392 B13R0.147 CCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210759 [1,1,0,0,0,0|1,0,1]=4 12393 B13R0.147 CCCCCCCCNC[C@@H](O)CF 2230a_100000229939_100015614560 [1,1,0,0,0,0|2,0,0]=4 12394 B13R0.147 CCCCCCCCNC[C@@H](O)CF 34a_100000229939_100015614560 [1,1,0,0,0,0|2,0,0]=4 12395 B13R0.147 CCCCCCCCNC[C@@H](O)CO 2230a_100000229939_100009815848 [1,1,0,0,0,0|1,0,1]=4 12396 B13R0.147 CCCCCCCCNC[C@@H](O)CO 34a_100000229939_100009815848 [1,1,0,0,0,0|1,0,1]=4 12397 B13R0.147 CCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210759 [1,1,0,0,0,0|1,0,1]=4 12398 B13R0.147 CCCCCCCCOCC(C)CC 34a_100000210232_100000748023 [1,1,0,0,0,0|1,0,1]=4 12399 B13R0.147 CCCCCCCCOCC(C)CC 7a_100000210232_100000748023 [1,1,0,0,0,0|1,0,1]=4 12400 B13R0.147 CCCCCCCCOCC(C)CN 34a_100000744482_100000210759 [1,1,0,0,0,0|2,0,0]=4 12401 B13R0.147 CCCCCCCCOCC(Cl)CCl 34a_100000033668_100000210759 [1,1,0,0,0,0|2,0,0]=4 12402 B13R0.147 CCCCCCCCOCC(O)CC 34a_100000210232_100011218378 [1,1,0,0,0,0|1,0,1]=4 12403 B13R0.147 CCCCCCCCOCC(O)CC 7a_100000210232_100011218378 [1,1,0,0,0,0|1,0,1]=4 12404 B13R0.147 CCCCCCCCOCC(O)CO 34a_100000210232_100011219619 [1,1,0,0,0,0|1,0,1]=4 12405 B13R0.147 CCCCCCCCOCC(O)CO 7a_100000210232_100011219619 [1,1,0,0,0,0|1,0,1]=4 12406 B13R0.147 CCCCCCCCOC[C@@H](C)CC 34a_100000210232_100009816398 [1,1,0,0,0,0|1,0,1]=4 12407 B13R0.147 CCCCCCCCOC[C@@H](C)CC 7a_100000210232_100009816398 [1,1,0,0,0,0|1,0,1]=4 12408 B13R0.147 CCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210759 [1,1,0,0,0,0|1,0,1]=4 12409 B13R0.147 CCCCCCCCOC[C@@H](C)CO 34a_100000210232_100000059175 [1,1,0,0,0,0|1,0,1]=4 12410 B13R0.147 CCCCCCCCOC[C@@H](C)CO 7a_100000210232_100000059175 [1,1,0,0,0,0|1,0,1]=4 12411 B13R0.147 CCCCCCCCOC[C@@H](O)CF 34a_100000210232_100015614560 [1,1,0,0,0,0|2,0,0]=4 12412 B13R0.147 CCCCCCCCOC[C@@H](O)CF 7a_100000210232_100015614560 [1,1,0,0,0,0|2,0,0]=4 12413 B13R0.147 CCCCCCCCOC[C@@H](O)CO 34a_100000210232_100009815848 [1,1,0,0,0,0|1,0,1]=4 12414 B13R0.147 CCCCCCCCOC[C@@H](O)CO 7a_100000210232_100009815848 [1,1,0,0,0,0|1,0,1]=4 12415 B13R0.147 CCCCCCCCOC[C@H](F)CN 34a_100015665980_100000210759 [1,1,0,0,0,0|2,0,0]=4 12416 B13R0.147 CCCCCCCCSCC(C)CC 62a_100000210759_100000748023 [1,1,0,0,0,0|1,0,1]=4 12417 B13R0.147 CCCCCCCCSCC(C)CC 62a_100000748023_100000210317 [1,1,0,0,0,0|1,0,1]=4 12418 B13R0.147 CCCCCCCCSCC(O)CC 62a_100000210759_100011218378 [1,1,0,0,0,0|1,0,1]=4 12419 B13R0.147 CCCCCCCCSCC(O)CC 62a_100011218378_100000210317 [1,1,0,0,0,0|1,0,1]=4 12420 B13R0.147 CCCCCCCCSCC(O)CO 62a_100000210759_100011219619 [1,1,0,0,0,0|1,0,1]=4 12421 B13R0.147 CCCCCCCCSCC(O)CO 62a_100011219619_100000210317 [1,1,0,0,0,0|1,0,1]=4 12422 B13R0.147 CCCCCCCCSC[C@@H](C)CC 62a_100000210759_100009816398 [1,1,0,0,0,0|1,0,1]=4 12423 B13R0.147 CCCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210317 [1,1,0,0,0,0|1,0,1]=4 12424 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210317 [1,1,0,0,0,0|1,0,1]=4 12425 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000210759_100000059175 [1,1,0,0,0,0|1,0,1]=4 12426 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100000210759_100015614560 [1,1,0,0,0,0|2,0,0]=4 12427 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210317 [1,1,0,0,0,0|2,0,0]=4 12428 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100000210759_100009815848 [1,1,0,0,0,0|1,0,1]=4 12429 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210317 [1,1,0,0,0,0|1,0,1]=4 12430 B13R0.147 CCCCCCCNCCC(C)CC 2230a_100020591266_100000210681 [1,1,0,0,0,0|1,0,1]=4 12431 B13R0.147 CCCCCCCNCCC(C)CO 2230a_106354213184_100000210681 [1,1,0,0,0,0|1,0,1]=4 12432 B13R0.147 CCCCCCCNCCC(C)CO 34a_106354213184_100000210614 [1,1,0,0,0,0|1,0,1]=4 12433 B13R0.147 CCCCCCCOCCC(C)CC 7a_100011215188_100000210614 [1,1,0,0,0,0|1,0,1]=4 12434 B13R0.147 CCCCCCOCCCC(C)CC 7a_100011216074_100000210314 [1,1,0,0,0,0|1,0,1]=4 12435 B13R0.147 CCCCCCOCCC[C@@H](C)CN 34a_100160569302_100000210314 [1,1,0,0,0,0|2,0,0]=4 12436 B13R0.147 CCCCOCCCCCC(C)CC 7a_200000035636_100000210211 [1,1,0,0,0,0|1,0,1]=4 12437 B13R0.147 CCN(C)CCCCCCCCCO 2230a_100000225621_100009813782 [1,1,0,0,0,0|1,0,1]=4 12438 B13R0.147 CCN(C)CCCCCCCCCO 269982a_100000225621_100009813782 [1,1,0,0,0,0|1,0,1]=4 12439 B13R0.147 CCN(C)CCCSCCCCC=O 62a_100000139335_100015186262 [1,1,0,0,0,0|2,0,0]=4 12440 B13R0.147 CC[C@H](C)CNCCCCCCCO 2230a_100011996573_100009816398 [1,1,0,0,0,0|1,0,1]=4 12441 B13R0.147 CC[C@H](C)CNCCCCCCCO 34a_100011996573_100009816398 [1,1,0,0,0,0|1,0,1]=4 12442 B13R0.147 CC[C@H](C)COCCCCCCCBr 34a_100000760002_100009816398 [1,1,0,0,0,0|2,0,0]=4 12443 B13R0.147 CC[C@H](C)COCCCCCCCBr 7a_100000760002_100009816398 [1,1,0,0,0,0|2,0,0]=4 12444 B13R0.147 CC[C@H](C)COCCCCCCCN 34a_100011996573_100009816398 [1,1,0,0,0,0|2,0,0]=4 12445 B13R0.147 CC[C@H](C)COCCCCCCCO 7a_100009816381_100000760002 [1,1,0,0,0,0|1,0,1]=4 12446 B13R0.147 CC[C@H](C)CSCCCCCCCO 62a_100000760002_100009816398 [1,1,0,0,0,0|1,0,1]=4 12447 B13R0.147 CC[C@H](C)CSCCCCCCCO 62a_100009816398_100000760002 [1,1,0,0,0,0|1,0,1]=4 12448 B13R0.147 COC(C)CCOCCCCCC=O 7a_100000764861_100000139337 [1,1,0,0,0,0|2,0,0]=4 12449 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100011215552_100000210757 [1,1,0,0,0,0|0,0,2]=4 12450 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100102632555_100011215482 [1,1,0,0,0,0|0,0,2]=4 12451 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_100012000471_100000210314 [1,1,0,0,0,0|1,0,1]=4 12452 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_106256046315_100011215482 [1,1,0,0,0,0|1,0,1]=4 12453 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_100012000471_100000210757 [1,1,0,0,0,0|1,0,1]=4 12454 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_106256046315_100011215482 [1,1,0,0,0,0|1,0,1]=4 12455 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000210919_100011713584 [1,1,0,0,0,0|1,0,1]=4 12456 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000700776_100011215978 [1,1,0,0,0,0|1,0,1]=4 12457 B13R0.165 C=CCCCNC(C)CCCCCC 270004a_100000700776_100000210826 [1,1,0,0,0,0|1,0,1]=4 12458 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000210919_100000757094 [1,1,0,0,0,0|1,0,1]=4 12459 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000700776_100011215978 [1,1,0,0,0,0|1,0,1]=4 12460 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000210265_100000757094 [1,1,0,0,0,0|1,0,1]=4 12461 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000758997_100011215978 [1,1,0,0,0,0|1,0,1]=4 12462 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000210265_100000757094 [1,1,0,0,0,0|1,0,1]=4 12463 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000758997_100011215978 [1,1,0,0,0,0|1,0,1]=4 12464 B13R0.165 C=CCCCSC(C)CCCCCC 62a_100011215978_100000757094 [1,1,0,0,0,0|1,0,1]=4 12465 B13R0.165 C=CCCCSC(C)CCCCCC 62a_100011713584_100011215978 [1,1,0,0,0,0|1,0,1]=4 12466 B13R0.165 C=CCOCCC(C)CCCCCC 34a_200011024964_100015514636 [1,1,0,0,0,0|1,0,1]=4 12467 B13R0.165 C=CCOCCC(C)CCCCCC 7a_200011024964_100015514636 [1,1,0,0,0,0|1,0,1]=4 12468 B13R0.165 CCCCCCC(=O)CCCCCC 1458a_100102632555_100000210757 [1,1,0,0,0,0|0,0,2]=4 12469 B13R0.165 CCCCCCC(=O)CCCCCF 1458a_100102632555_100000729378 [1,1,0,0,0,0|1,0,1]=4 12470 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102619762_100000210757 [1,1,0,0,0,0|0,0,2]=4 12471 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102632555_100000746330 [1,1,0,0,0,0|0,0,2]=4 12472 B13R0.165 CCCCCCC(C)CCOCC=O 34a_200011024964_200009817547 [1,1,0,0,0,0|1,0,0]=3 12473 B13R0.165 CCCCCCC(C)CCOCC=O 7a_200011024964_200015260668 [1,1,0,0,0,0|1,0,0]=3 12474 B13R0.165 CCCCCCC(C)CCOCCC 34a_200011024964_100000210303 [1,1,0,0,0,0|1,0,1]=4 12475 B13R0.165 CCCCCCC(C)CCOCCC 7a_200011024964_100000210303 [1,1,0,0,0,0|1,0,1]=4 12476 B13R0.165 CCCCCCC(C)CCOCCF 34a_200011024964_100011217306 [1,1,0,0,0,0|2,0,0]=4 12477 B13R0.165 CCCCCCC(C)CCOCCF 7a_200011024964_100011217306 [1,1,0,0,0,0|2,0,0]=4 12478 B13R0.165 CCCCCCC(C)CCOCCO 34a_200011024964_100000211926 [1,1,0,0,0,0|1,0,1]=4 12479 B13R0.165 CCCCCCC(C)CCOCCO 7a_200011024964_100000211926 [1,1,0,0,0,0|1,0,1]=4 12480 B13R0.165 CCCCCCC(C)NCCCC=O 2230a_100000210919_200011292268 [1,1,0,0,0,0|1,0,0]=3 12481 B13R0.165 CCCCCCC(C)NCCCCC 2230a_100000209983_100011215978 [1,1,0,0,0,0|1,0,1]=4 12482 B13R0.165 CCCCCCC(C)NCCCCC 2230a_100000210919_100000210326 [1,1,0,0,0,0|1,0,1]=4 12483 B13R0.165 CCCCCCC(C)NCCCCC 270004a_100000209983_100000210826 [1,1,0,0,0,0|1,0,1]=4 12484 B13R0.165 CCCCCCC(C)NCCCCC 34a_100000210919_100000718602 [1,1,0,0,0,0|1,0,1]=4 12485 B13R0.165 CCCCCCC(C)NCCCCF 2230a_100000210919_100000729493 [1,1,0,0,0,0|2,0,0]=4 12486 B13R0.165 CCCCCCC(C)NCCCCF 34a_100000210919_100000729493 [1,1,0,0,0,0|2,0,0]=4 12487 B13R0.165 CCCCCCC(C)NCCCCO 2230a_100000210919_100000210776 [1,1,0,0,0,0|1,0,1]=4 12488 B13R0.165 CCCCCCC(C)NCCCCO 2230a_100000750430_100011215978 [1,1,0,0,0,0|1,0,1]=4 12489 B13R0.165 CCCCCCC(C)NCCCCO 270004a_100000750430_100000210826 [1,1,0,0,0,0|1,0,1]=4 12490 B13R0.165 CCCCCCC(C)NCCCCO 34a_100000210919_100011216708 [1,1,0,0,0,0|1,0,1]=4 12491 B13R0.165 CCCCCCC(C)NCCCCO 34a_100000750430_100011215978 [1,1,0,0,0,0|1,0,1]=4 12492 B13R0.165 CCCCCCC(C)OCCCC=O 7a_100000210265_200011292268 [1,1,0,0,0,0|1,0,0]=3 12493 B13R0.165 CCCCCCC(C)OCCCCBr 34a_100011216708_100011215978 [1,1,0,0,0,0|2,0,0]=4 12494 B13R0.165 CCCCCCC(C)OCCCCC 34a_100000210253_100011215978 [1,1,0,0,0,0|1,0,1]=4 12495 B13R0.165 CCCCCCC(C)OCCCCC 34a_100000210265_100000718602 [1,1,0,0,0,0|1,0,1]=4 12496 B13R0.165 CCCCCCC(C)OCCCCC 7a_100000210253_100011215978 [1,1,0,0,0,0|1,0,1]=4 12497 B13R0.165 CCCCCCC(C)OCCCCC 7a_100000210265_100000210326 [1,1,0,0,0,0|1,0,1]=4 12498 B13R0.165 CCCCCCC(C)OCCCCCl 34a_100000210776_100011215978 [1,1,0,0,0,0|2,0,0]=4 12499 B13R0.165 CCCCCCC(C)OCCCCCl 7a_100000210776_100011215978 [1,1,0,0,0,0|2,0,0]=4 12500 B13R0.165 CCCCCCC(C)OCCCCF 34a_100000210265_100000729493 [1,1,0,0,0,0|2,0,0]=4 12501 B13R0.165 CCCCCCC(C)OCCCCF 34a_100011995726_100011215978 [1,1,0,0,0,0|2,0,0]=4 12502 B13R0.165 CCCCCCC(C)OCCCCF 7a_100000210265_100000729493 [1,1,0,0,0,0|2,0,0]=4 12503 B13R0.165 CCCCCCC(C)OCCCCF 7a_100011995726_100011215978 [1,1,0,0,0,0|2,0,0]=4 12504 B13R0.165 CCCCCCC(C)OCCCCI 34a_200012148704_100011215978 [1,1,0,0,0,0|2,0,0]=4 12505 B13R0.165 CCCCCCC(C)OCCCCN 34a_100000750430_100011215978 [1,1,0,0,0,0|2,0,0]=4 12506 B13R0.165 CCCCCCC(C)OCCCCO 34a_100000210265_100011216708 [1,1,0,0,0,0|1,0,1]=4 12507 B13R0.165 CCCCCCC(C)OCCCCO 7a_100000210265_100000210776 [1,1,0,0,0,0|1,0,1]=4 12508 B13R0.165 CCCCCCC(C)SCCCC=O 62a_100011215978_200011292268 [1,1,0,0,0,0|1,0,0]=3 12509 B13R0.165 CCCCCCC(C)SCCCC=O 62a_200011292268_100011215978 [1,1,0,0,0,0|1,0,0]=3 12510 B13R0.165 CCCCCCC(C)SCCCCC 62a_100000210326_100011215978 [1,1,0,0,0,0|1,0,1]=4 12511 B13R0.165 CCCCCCC(C)SCCCCC 62a_100011215978_100000210326 [1,1,0,0,0,0|1,0,1]=4 12512 B13R0.165 CCCCCCC(C)SCCCCF 62a_100000729493_100011215978 [1,1,0,0,0,0|2,0,0]=4 12513 B13R0.165 CCCCCCC(C)SCCCCF 62a_100011215978_100000729493 [1,1,0,0,0,0|2,0,0]=4 12514 B13R0.165 CCCCCCC(C)SCCCCO 62a_100000210776_100011215978 [1,1,0,0,0,0|1,0,1]=4 12515 B13R0.165 CCCCCCC(C)SCCCCO 62a_100011215978_100000210776 [1,1,0,0,0,0|1,0,1]=4 12516 B13R0.165 CCCCCCN(C)CCCCC=O 2230a_106256046315_100000139335 [1,1,0,0,0,0|1,0,0]=3 12517 B13R0.165 CCCCCCN(C)CCCCC=O 269982a_106256046315_100000139335 [1,1,0,0,0,0|1,0,0]=3 12518 B13R0.165 CCCCCCN(C)CCCCCC 2230a_100000210582_200000210301 [1,1,0,0,0,0|1,0,1]=4 12519 B13R0.165 CCCCCCN(C)CCCCCC 2230a_106256046315_100000210314 [1,1,0,0,0,0|1,0,1]=4 12520 B13R0.165 CCCCCCN(C)CCCCCC 269982a_100000210582_200000210301 [1,1,0,0,0,0|1,0,1]=4 12521 B13R0.165 CCCCCCN(C)CCCCCC 269982a_106256046315_100000210757 [1,1,0,0,0,0|1,0,1]=4 12522 B13R0.165 CCCCCCN(C)CCCCCF 2230a_106256046315_100000729378 [1,1,0,0,0,0|2,0,0]=4 12523 B13R0.165 CCCCCCN(C)CCCCCF 269982a_106256046315_100000729378 [1,1,0,0,0,0|2,0,0]=4 12524 B13R0.165 CCCCCCN(C)CCCCCO 2230a_100000722520_100000210314 [1,1,0,0,0,0|1,0,1]=4 12525 B13R0.165 CCCCCCN(C)CCCCCO 2230a_106256046315_100000746330 [1,1,0,0,0,0|1,0,1]=4 12526 B13R0.165 CCCCCCN(C)CCCCCO 269982a_100000722520_100000210757 [1,1,0,0,0,0|1,0,1]=4 12527 B13R0.165 CCCCCCN(C)CCCCCO 269982a_106256046315_100000746330 [1,1,0,0,0,0|1,0,1]=4 12528 B13R0.165 CCCCCCN([13CH3])CCCCCC 2230a_100000210582_200025704644 [1,1,0,0,0,0|1,0,1]=4 12529 B13R0.165 CCCCCCN([13CH3])CCCCCC 269982a_100000210582_200025704644 [1,1,0,0,0,0|1,0,1]=4 12530 B13R0.165 CCCCOCC(C)OCCCC=O 7a_100011217071_200011292268 [1,1,0,0,0,0|2,0,0]=4 12531 B13R0.165 CN(CCCCC=O)CCCCCO 2230a_100000722520_100000139335 [1,1,0,0,0,0|2,0,0]=4 12532 B13R0.165 CN(CCCCC=O)CCCCCO 269982a_100000722520_100000139335 [1,1,0,0,0,0|2,0,0]=4 12533 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000211969_100000757094 [1,1,0,0,0,0|0,0,2]=4 12534 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000766728_100000210614 [1,1,0,0,0,0|0,0,2]=4 12535 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100000212188_100000700193 [1,1,0,0,0,0|0,0,2]=4 12536 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100011934241_100000210326 [1,1,0,0,0,0|0,0,2]=4 12537 B13R0.338 C=CCCCCCN(C)CCCCC 2230a_100000223495_100000700193 [1,1,0,0,0,0|1,0,1]=4 12538 B13R0.338 C=CCCCCCN(C)CCCCC 269982a_100000223495_100000700193 [1,1,0,0,0,0|1,0,1]=4 12539 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000211957_100011215482 [1,1,0,0,0,0|1,0,1]=4 12540 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000703577_200011218191 [1,1,0,0,0,0|1,0,1]=4 12541 B13R0.338 C=CCCCCNC(C)CCCCC 270004a_100000703577_100000211708 [1,1,0,0,0,0|1,0,1]=4 12542 B13R0.338 C=CCCCCNC(C)CCCCC 34a_100000703577_200011218191 [1,1,0,0,0,0|1,0,1]=4 12543 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100000766645_200011218191 [1,1,0,0,0,0|1,0,1]=4 12544 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100011215632_100011215482 [1,1,0,0,0,0|1,0,1]=4 12545 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100000766645_200011218191 [1,1,0,0,0,0|1,0,1]=4 12546 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100011215632_100011215482 [1,1,0,0,0,0|1,0,1]=4 12547 B13R0.338 C=CCCCCSC(C)CCCCC 62a_100011215482_200011218191 [1,1,0,0,0,0|1,0,1]=4 12548 B13R0.338 C=CCCCCSC(C)CCCCC 62a_200011218191_100011215482 [1,1,0,0,0,0|1,0,1]=4 12549 B13R0.338 C=CCCCN(C)CCCCCCC 2230a_100000228206_100011713584 [1,1,0,0,0,0|1,0,1]=4 12550 B13R0.338 C=CCCCN(C)CCCCCCC 269982a_100000228206_100000757094 [1,1,0,0,0,0|1,0,1]=4 12551 B13R0.338 C=CCCNC(C)CCCCCCC 2230a_100015191253_200011218727 [1,1,0,0,0,0|1,0,1]=4 12552 B13R0.338 C=CCCNC(C)CCCCCCC 270004a_100015191253_100000210596 [1,1,0,0,0,0|1,0,1]=4 12553 B13R0.338 C=CCCOC(C)CCCCCCC 34a_100011205117_200011218727 [1,1,0,0,0,0|1,0,1]=4 12554 B13R0.338 C=CCCOC(C)CCCCCCC 34a_200011215852_100000754431 [1,1,0,0,0,0|1,0,1]=4 12555 B13R0.338 C=CCCOC(C)CCCCCCC 7a_200011215852_100000754431 [1,1,0,0,0,0|1,0,1]=4 12556 B13R0.338 C=CCCSC(C)CCCCCCC 62a_100000754431_200011218727 [1,1,0,0,0,0|1,0,1]=4 12557 B13R0.338 C=CCCSC(C)CCCCCCC 62a_200011218727_100000754431 [1,1,0,0,0,0|1,0,1]=4 12558 B13R0.338 CCCCCC(=O)CCCCCCF 1458a_100000212188_100015922095 [1,1,0,0,0,0|1,0,1]=4 12559 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100000212188_100000766143 [1,1,0,0,0,0|0,0,2]=4 12560 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100011996774_100000210326 [1,1,0,0,0,0|0,0,2]=4 12561 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200011292268_200012276598 [1,1,0,0,0,0|1,0,1]=4 12562 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200012276598_200011292268 [1,1,0,0,0,0|1,0,1]=4 12563 B13R0.338 CCCCCC(C)NCCCCC=O 2230a_100000211957_100000139335 [1,1,0,0,0,0|1,0,0]=3 12564 B13R0.338 CCCCCC(C)NCCCCCF 2230a_100000211957_100000729378 [1,1,0,0,0,0|2,0,0]=4 12565 B13R0.338 CCCCCC(C)NCCCCCO 2230a_100000211957_100000746330 [1,1,0,0,0,0|1,0,1]=4 12566 B13R0.338 CCCCCC(C)NCCCCCO 2230a_100000762737_200011218191 [1,1,0,0,0,0|1,0,1]=4 12567 B13R0.338 CCCCCC(C)NCCCCCO 270004a_100000762737_100000211708 [1,1,0,0,0,0|1,0,1]=4 12568 B13R0.338 CCCCCC(C)NCCCCCO 34a_100000762737_200011218191 [1,1,0,0,0,0|1,0,1]=4 12569 B13R0.338 CCCCCC(C)OCCCCC=O 7a_100011215632_100000139335 [1,1,0,0,0,0|1,0,0]=3 12570 B13R0.338 CCCCCC(C)OCCCCCBr 34a_100000746331_200011218191 [1,1,0,0,0,0|2,0,0]=4 12571 B13R0.338 CCCCCC(C)OCCCCCBr 7a_100000746331_200011218191 [1,1,0,0,0,0|2,0,0]=4 12572 B13R0.338 CCCCCC(C)OCCCCCCl 34a_100000746330_200011218191 [1,1,0,0,0,0|2,0,0]=4 12573 B13R0.338 CCCCCC(C)OCCCCCCl 7a_100000746330_200011218191 [1,1,0,0,0,0|2,0,0]=4 12574 B13R0.338 CCCCCC(C)OCCCCCF 34a_100011215632_100000729378 [1,1,0,0,0,0|2,0,0]=4 12575 B13R0.338 CCCCCC(C)OCCCCCF 7a_100011215632_100000729378 [1,1,0,0,0,0|2,0,0]=4 12576 B13R0.338 CCCCCC(C)OCCCCCI 34a_200012148887_200011218191 [1,1,0,0,0,0|2,0,0]=4 12577 B13R0.338 CCCCCC(C)OCCCCCI 7a_200012148887_200011218191 [1,1,0,0,0,0|2,0,0]=4 12578 B13R0.338 CCCCCC(C)OCCCCCN 34a_100000762737_200011218191 [1,1,0,0,0,0|2,0,0]=4 12579 B13R0.338 CCCCCC(C)OCCCCCO 34a_100011215632_100000746330 [1,1,0,0,0,0|1,0,1]=4 12580 B13R0.338 CCCCCC(C)OCCCCCO 7a_100011215632_100000746330 [1,1,0,0,0,0|1,0,1]=4 12581 B13R0.338 CCCCCC(C)SCCCCC=O 62a_100000139335_200011218191 [1,1,0,0,0,0|1,0,0]=3 12582 B13R0.338 CCCCCC(C)SCCCCC=O 62a_200011218191_100000139335 [1,1,0,0,0,0|1,0,0]=3 12583 B13R0.338 CCCCCC(C)SCCCCCF 62a_100000729378_200011218191 [1,1,0,0,0,0|2,0,0]=4 12584 B13R0.338 CCCCCC(C)SCCCCCF 62a_200011218191_100000729378 [1,1,0,0,0,0|2,0,0]=4 12585 B13R0.338 CCCCCC(C)SCCCCCO 62a_100000746330_200011218191 [1,1,0,0,0,0|1,0,1]=4 12586 B13R0.338 CCCCCC(C)SCCCCCO 62a_200011218191_100000746330 [1,1,0,0,0,0|1,0,1]=4 12587 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000211969_100000210326 [1,1,0,0,0,0|0,0,2]=4 12588 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000212188_100000210614 [1,1,0,0,0,0|0,0,2]=4 12589 B13R0.338 CCCCCCCC(=O)CCCCF 1458a_100000211969_100000729493 [1,1,0,0,0,0|1,0,1]=4 12590 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000211969_100000210776 [1,1,0,0,0,0|0,0,2]=4 12591 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000695505_100000210614 [1,1,0,0,0,0|0,0,2]=4 12592 B13R0.338 CCCCCCCC(C)NCCCC 2230a_100000102301_200011218727 [1,1,0,0,0,0|1,0,1]=4 12593 B13R0.338 CCCCCCCC(C)NCCCC 270004a_100000102301_100000210596 [1,1,0,0,0,0|1,0,1]=4 12594 B13R0.338 CCCCCCCC(C)NCCCC 7a_106832991798_200011218727 [1,1,0,0,0,0|1,0,1]=4 12595 B13R0.338 CCCCCCCC(C)NCCCF 2230a_100015189416_200011218727 [1,1,0,0,0,0|2,0,0]=4 12596 B13R0.338 CCCCCCCC(C)NCCCF 270004a_100015189416_100000210596 [1,1,0,0,0,0|2,0,0]=4 12597 B13R0.338 CCCCCCCC(C)NCCCF 34a_100015189416_200011218727 [1,1,0,0,0,0|2,0,0]=4 12598 B13R0.338 CCCCCCCC(C)NCCCO 270004a_100000182051_100000210596 [1,1,0,0,0,0|1,0,1]=4 12599 B13R0.338 CCCCCCCC(C)OCCCBr 34a_100011217188_200011218727 [1,1,0,0,0,0|2,0,0]=4 12600 B13R0.338 CCCCCCCC(C)OCCCC 34a_100000210227_200011218727 [1,1,0,0,0,0|1,0,1]=4 12601 B13R0.338 CCCCCCCC(C)OCCCC 34a_200011215852_100000210210 [1,1,0,0,0,0|1,0,1]=4 12602 B13R0.338 CCCCCCCC(C)OCCCC 7a_100000210227_200011218727 [1,1,0,0,0,0|1,0,1]=4 12603 B13R0.338 CCCCCCCC(C)OCCCC 7a_200011215852_100000210211 [1,1,0,0,0,0|1,0,1]=4 12604 B13R0.338 CCCCCCCC(C)OCCCCl 34a_100000230001_200011218727 [1,1,0,0,0,0|2,0,0]=4 12605 B13R0.338 CCCCCCCC(C)OCCCF 34a_100000759539_200011218727 [1,1,0,0,0,0|2,0,0]=4 12606 B13R0.338 CCCCCCCC(C)OCCCF 34a_200011215852_100011934791 [1,1,0,0,0,0|2,0,0]=4 12607 B13R0.338 CCCCCCCC(C)OCCCF 7a_200011215852_100011934791 [1,1,0,0,0,0|2,0,0]=4 12608 B13R0.338 CCCCCCCC(C)OCCCN 34a_100000182051_200011218727 [1,1,0,0,0,0|2,0,0]=4 12609 B13R0.338 CCCCCCCC(C)OCCCO 34a_200011215852_100000230001 [1,1,0,0,0,0|1,0,1]=4 12610 B13R0.338 CCCCCCCC(C)OCCCO 7a_200011215852_100011215043 [1,1,0,0,0,0|1,0,1]=4 12611 B13R0.338 CCCCCCCC(C)SCCCC 62a_100000210211_200011218727 [1,1,0,0,0,0|1,0,1]=4 12612 B13R0.338 CCCCCCCC(C)SCCCC 62a_200011218727_100000210210 [1,1,0,0,0,0|1,0,1]=4 12613 B13R0.338 CCCCCCCC(C)SCCCF 62a_100011934791_200011218727 [1,1,0,0,0,0|2,0,0]=4 12614 B13R0.338 CCCCCCCC(C)SCCCF 62a_200011218727_100011934791 [1,1,0,0,0,0|2,0,0]=4 12615 B13R0.338 CCCCCCCC(C)SCCCO 62a_100011215043_200011218727 [1,1,0,0,0,0|1,0,1]=4 12616 B13R0.338 CCCCCCCC(C)SCCCO 62a_200011218727_100011215043 [1,1,0,0,0,0|1,0,1]=4 12617 B13R0.338 CCCCCCCN(C)CCCC=O 2230a_100000228206_200011292268 [1,1,0,0,0,0|1,0,0]=3 12618 B13R0.338 CCCCCCCN(C)CCCC=O 269982a_100000228206_200011292268 [1,1,0,0,0,0|1,0,0]=3 12619 B13R0.338 CCCCCCCN(C)CCCCC 2230a_100000223495_100000210681 [1,1,0,0,0,0|1,0,1]=4 12620 B13R0.338 CCCCCCCN(C)CCCCC 2230a_100000228206_100000210326 [1,1,0,0,0,0|1,0,1]=4 12621 B13R0.338 CCCCCCCN(C)CCCCC 269982a_100000223495_100000210681 [1,1,0,0,0,0|1,0,1]=4 12622 B13R0.338 CCCCCCCN(C)CCCCC 269982a_100000228206_100000210215 [1,1,0,0,0,0|1,0,1]=4 12623 B13R0.338 CCCCCCCN(C)CCCCF 2230a_100000228206_100000729493 [1,1,0,0,0,0|2,0,0]=4 12624 B13R0.338 CCCCCCCN(C)CCCCF 269982a_100000228206_100000729493 [1,1,0,0,0,0|2,0,0]=4 12625 B13R0.338 CCCCCCCN(C)CCCCO 2230a_100000228206_100000210776 [1,1,0,0,0,0|1,0,1]=4 12626 B13R0.338 CCCCCCCN(C)CCCCO 2230a_100000717598_100000210681 [1,1,0,0,0,0|1,0,1]=4 12627 B13R0.338 CCCCCCCN(C)CCCCO 269982a_100000228206_100000210776 [1,1,0,0,0,0|1,0,1]=4 12628 B13R0.338 CCCCCCCN(C)CCCCO 269982a_100000717598_100000210681 [1,1,0,0,0,0|1,0,1]=4 12629 B13R0.338 CCCCCCNC(C)CCCCC 2230a_100000210581_200011218191 [1,1,0,0,0,0|1,0,1]=4 12630 B13R0.338 CCCCCCNC(C)CCCCC 2230a_100000211957_100000210314 [1,1,0,0,0,0|1,0,1]=4 12631 B13R0.338 CCCCCCNC(C)CCCCC 270004a_100000210581_100000211708 [1,1,0,0,0,0|1,0,1]=4 12632 B13R0.338 CCCCCCOC(C)CCCCC 34a_100000210259_200011218191 [1,1,0,0,0,0|1,0,1]=4 12633 B13R0.338 CCCCCCOC(C)CCCCC 34a_100011215632_100000210314 [1,1,0,0,0,0|1,0,1]=4 12634 B13R0.338 CCCCCCOC(C)CCCCC 7a_100000210259_200011218191 [1,1,0,0,0,0|1,0,1]=4 12635 B13R0.338 CCCCCCOC(C)CCCCC 7a_100011215632_100000210314 [1,1,0,0,0,0|1,0,1]=4 12636 B13R0.338 CCCCCCSC(C)CCCCC 62a_100000210314_200011218191 [1,1,0,0,0,0|1,0,1]=4 12637 B13R0.338 CCCCCCSC(C)CCCCC 62a_200011218191_100000210757 [1,1,0,0,0,0|1,0,1]=4 12638 B13R0.338 CCCCCN(C)CCCCCC=O 2230a_100000223495_100000139337 [1,1,0,0,0,0|1,0,0]=3 12639 B13R0.338 CCCCCN(C)CCCCCC=O 269982a_100000223495_100000139337 [1,1,0,0,0,0|1,0,0]=3 12640 B13R0.338 CCCCCN(C)CCCCCCF 2230a_100000223495_100015922095 [1,1,0,0,0,0|2,0,0]=4 12641 B13R0.338 CCCCCN(C)CCCCCCF 269982a_100000223495_100015922095 [1,1,0,0,0,0|2,0,0]=4 12642 B13R0.338 CCCCCN(C)CCCCCCO 2230a_100000223495_100000766143 [1,1,0,0,0,0|1,0,1]=4 12643 B13R0.338 CCCCCN(C)CCCCCCO 269982a_100000223495_100000766143 [1,1,0,0,0,0|1,0,1]=4 12644 B13R0.338 CCCCCOC[C@@H](N)CCCCN 34a_100016993712_100000718602 [1,1,0,0,0,0|2,0,0]=4 12645 B13R0.338 CN(CCCCO)CCCCCC=O 2230a_100000717598_100000139337 [1,1,0,0,0,0|2,0,0]=4 12646 B13R0.338 CN(CCCCO)CCCCCC=O 269982a_100000717598_100000139337 [1,1,0,0,0,0|2,0,0]=4 12647 B13R0.338 COCCCC(C)OCCCCC=O 7a_200011539412_100000139335 [1,1,0,0,0,0|2,0,0]=4 12648 B13R0.338 COCCCN(C)CCCCCC=O 2230a_100000224831_100000139337 [1,1,0,0,0,0|2,0,0]=4 12649 B13R0.338 COCCCN(C)CCCCCC=O 269982a_100000224831_100000139337 [1,1,0,0,0,0|2,0,0]=4 12650 B15R0.129 C=CCCCCCC(=O)CCCCC(C)C 1458a_100011933920_100000700193 [0,2,0,0,0,0|1,0,1]=4 12651 B15R0.129 C=CCCCCCC(=O)CCCCC(C)C 1458a_100011934241_100011216152 [0,2,0,0,0,0|1,0,1]=4 12652 B15R0.129 CC(=O)CCCCC(=O)CCCCCCO 1458a_100011996774_100000735457 [0,2,0,0,0,0|1,0,1]=4 12653 B15R0.129 CCCCCCCC(=O)CCCCC(=O)C 1458a_100000211969_100000735457 [0,2,0,0,0,0|0,0,1]=3 12654 B15R0.129 CCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210614 [0,2,0,0,0,0|1,0,1]=4 12655 B15R0.129 CCCCCCCC(=O)CCCOC(=O)C 1458a_100000211969_100000042594 [0,2,0,0,0,0|1,0,1]=4 12656 B15R0.129 CCCCCCCC(=O)CCCSC(=O)C 1458a_100000211969_100000038929 [0,2,0,0,0,0|1,0,1]=4 12657 B15R0.129 CCCCCCCC(=O)CCOCC(=O)N 1458a_100000211969_100000076697 [0,2,0,0,0,0|1,0,1]=4 12658 B15R0.129 CCCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210614 [0,2,0,0,0,0|1,0,1]=4 12659 B15R0.129 CCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211969 [0,2,0,0,0,0|1,0,1]=4 12660 B15R0.129 CCCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000211969 [0,2,0,0,0,0|1,0,1]=4 12661 B15R0.129 CCCCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218727 [0,2,0,0,0,0|1,0,0]=3 12662 B15R0.129 CCCCCCCC(C)NCCCS(=O)C 2230a_200000753449_200011218727 [0,2,0,0,0,0|2,0,0]=4 12663 B15R0.129 CCCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210596 [0,2,0,0,0,0|2,0,0]=4 12664 B15R0.129 CCCCCCCC(C)NCCNC(=O)C 2230a_100000209853_200011218727 [0,2,0,0,0,0|2,0,0]=4 12665 B15R0.129 CCCCCCCC(C)NCCNC(=O)N 34a_100020590234_200011218727 [0,2,0,0,0,0|2,0,0]=4 12666 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218727 [0,2,0,0,0,0|1,0,0]=3 12667 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_200011215852_100000685027 [0,2,0,0,0,0|1,0,0]=3 12668 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218727 [0,2,0,0,0,0|1,0,0]=3 12669 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_200011215852_100011215641 [0,2,0,0,0,0|1,0,0]=3 12670 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 34a_200011215852_100102525003 [0,2,0,0,0,0|1,0,0]=3 12671 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 7a_200011215852_100102525003 [0,2,0,0,0,0|1,0,0]=3 12672 B15R0.129 CCCCCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_200011218727 [0,2,0,0,0,0|2,0,0]=4 12673 B15R0.129 CCCCCCCC(C)OCCNC(=O)C 34a_100000158858_200011218727 [0,2,0,0,0,0|2,0,0]=4 12674 B15R0.129 CCCCCCCC(C)OCCNC(=O)C 7a_200011215852_100000189650 [0,2,0,0,0,0|2,0,0]=4 12675 B15R0.129 CCCCCCCC(C)OCCNC(=O)N 34a_100000181757_200011218727 [0,2,0,0,0,0|2,0,0]=4 12676 B15R0.129 CCCCCCCC(C)OCCNC(=O)N 7a_200011215852_200000034859 [0,2,0,0,0,0|2,0,0]=4 12677 B15R0.129 CCCCCCCC(C)OCCOC(=O)C 34a_200011215852_100009814007 [0,2,0,0,0,0|2,0,0]=4 12678 B15R0.129 CCCCCCCC(C)OCCOC(=O)C 7a_200011215852_100009814007 [0,2,0,0,0,0|2,0,0]=4 12679 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 34a_200011215852_200011214921 [0,2,0,0,0,0|2,0,0]=4 12680 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 7a_100000766696_200011218727 [0,2,0,0,0,0|2,0,0]=4 12681 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 7a_200011215852_200011214921 [0,2,0,0,0,0|2,0,0]=4 12682 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218727 [0,2,0,0,0,0|1,0,0]=3 12683 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_200011218727_100011215641 [0,2,0,0,0,0|1,0,0]=3 12684 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218727 [0,2,0,0,0,0|1,0,0]=3 12685 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_200011218727_100102525003 [0,2,0,0,0,0|1,0,0]=3 12686 B15R0.129 CCCCCCCC(C)SCCNC(=O)C 62a_100000189650_200011218727 [0,2,0,0,0,0|2,0,0]=4 12687 B15R0.129 CCCCCCCC(C)SCCNC(=O)C 62a_200011218727_100000189650 [0,2,0,0,0,0|2,0,0]=4 12688 B15R0.129 CCCCCCCC(C)SCCNC(=O)N 62a_200000034859_200011218727 [0,2,0,0,0,0|2,0,0]=4 12689 B15R0.129 CCCCCCCC(C)SCCNC(=O)N 62a_200011218727_200000034859 [0,2,0,0,0,0|2,0,0]=4 12690 B15R0.129 CCCCCCCC(C)SCCOC(=O)C 62a_100009814007_200011218727 [0,2,0,0,0,0|2,0,0]=4 12691 B15R0.129 CCCCCCCC(C)SCCOC(=O)C 62a_200011218727_100009814007 [0,2,0,0,0,0|2,0,0]=4 12692 B15R0.129 CCCCCCCC(C)SCCOC(=O)N 62a_200011214921_200011218727 [0,2,0,0,0,0|2,0,0]=4 12693 B15R0.129 CCCCCCCC(C)SCCOC(=O)N 62a_200011218727_200011214921 [0,2,0,0,0,0|2,0,0]=4 12694 B15R0.129 CCCCCCCN(C)CCCCC(=O)C 269982a_100000228206_100000735457 [0,2,0,0,0,0|1,0,0]=3 12695 B15R0.129 CCCCCCCN(C)CCCOC(=O)C 269982a_100000228206_100000042594 [0,2,0,0,0,0|2,0,0]=4 12696 B15R0.129 CCCCCCCN(C)CCCSC(=O)C 2230a_100000228206_100000038929 [0,2,0,0,0,0|2,0,0]=4 12697 B15R0.129 CCCCCCCN(C)CCCSC(=O)C 269982a_100000228206_100000038929 [0,2,0,0,0,0|2,0,0]=4 12698 B15R0.129 CCCCCCCN(C)CCOCC(=O)N 2230a_100000228206_100000076697 [0,2,0,0,0,0|2,0,0]=4 12699 B15R0.129 CCCCCCCN(C)CCOCC(=O)N 269982a_100000228206_100000076697 [0,2,0,0,0,0|2,0,0]=4 12700 B15R0.129 COCCCCCC(=O)CCCCC(=O)C 1458a_100011935119_100000735457 [0,2,0,0,0,0|1,0,1]=4 12701 B15R0.133 C#CCCCCCC(=O)CCCCCCC 1458a_100000211969_100012094781 [0,2,0,0,0,0|1,0,1]=4 12702 B15R0.133 C#CCCCCCC(=O)CCCCCCC 1458a_100000694772_100000210614 [0,2,0,0,0,0|1,0,1]=4 12703 B15R0.133 C#CCCCCCN(C)CCCCCCC 2230a_100000228206_100012094781 [0,2,0,0,0,0|1,0,1]=4 12704 B15R0.133 C#CCCCCCN(C)CCCCCCC 269982a_100000228206_100012094781 [0,2,0,0,0,0|1,0,1]=4 12705 B15R0.133 C#CCCCCNC(C)CCCCCCC 2230a_100000706060_200011218727 [0,2,0,0,0,0|1,0,1]=4 12706 B15R0.133 C#CCCCCNC(C)CCCCCCC 34a_100000706060_200011218727 [0,2,0,0,0,0|1,0,1]=4 12707 B15R0.133 C#CCCCCOC(C)CCCCCCC 34a_100000766709_200011218727 [0,2,0,0,0,0|1,0,1]=4 12708 B15R0.133 C#CCCCCOC(C)CCCCCCC 34a_200011215852_100010269958 [0,2,0,0,0,0|1,0,1]=4 12709 B15R0.133 C#CCCCCOC(C)CCCCCCC 7a_100000766709_200011218727 [0,2,0,0,0,0|1,0,1]=4 12710 B15R0.133 C#CCCCCOC(C)CCCCCCC 7a_200011215852_100010269958 [0,2,0,0,0,0|1,0,1]=4 12711 B15R0.133 C#CCCCCSC(C)CCCCCCC 62a_100010269958_200011218727 [0,2,0,0,0,0|1,0,1]=4 12712 B15R0.133 C#CCCCCSC(C)CCCCCCC 62a_200011218727_100010269958 [0,2,0,0,0,0|1,0,1]=4 12713 B15R0.133 C=CCCCCCC(=O)CCCCCCC 1458a_100000211969_100000700193 [0,2,0,0,0,0|1,0,0]=3 12714 B15R0.133 C=CCCCCCC(=O)CCCCCCC 1458a_100011934241_100000210614 [0,2,0,0,0,0|1,0,0]=3 12715 B15R0.133 C=CCCCCCC(=O)CCCCCCF 1458a_100011934241_100015922095 [0,2,0,0,0,0|1,0,1]=4 12716 B15R0.133 C=CCCCCCC(=O)CCCCCCO 1458a_100011934241_100000766143 [0,2,0,0,0,0|1,0,1]=4 12717 B15R0.133 C=CCCCCCC(=O)CCCCCCO 1458a_100011996774_100000700193 [0,2,0,0,0,0|1,0,1]=4 12718 B15R0.133 C=CCCCCCC(=O)CCCCCOC 1458a_100011935119_100000700193 [0,2,0,0,0,0|1,0,1]=4 12719 B15R0.133 C=CCCCCCC(=O)CCOCCCC 1458a_100011934241_100000743108 [0,2,0,0,0,0|1,0,1]=4 12720 B15R0.133 C=CCCCCCC(=O)NCCCCCC 11a_100000210581_100011934241 [0,2,0,0,0,0|1,0,1]=4 12721 B15R0.133 C=CCCCCCC(=O)NCCCCCC 1626a_100000210581_100011934241 [0,2,0,0,0,0|1,0,1]=4 12722 B15R0.133 C=CCCCCCC(=O)NCCCCCC 240690a_100000210581_100011934241 [0,2,0,0,0,0|1,0,1]=4 12723 B15R0.133 C=CCCCCCC(=O)NCCCCCC 527a_100000210581_100011934241 [0,2,0,0,0,0|1,0,1]=4 12724 B15R0.133 C=CCCCCCN(C)CCCCCCC 2230a_100000228206_100000700193 [0,2,0,0,0,0|1,0,0]=3 12725 B15R0.133 C=CCCCCCN(C)CCCCCCC 269982a_100000228206_100000700193 [0,2,0,0,0,0|1,0,0]=3 12726 B15R0.133 C=CCCCCNC(=O)CCCCCCC 11a_100000703577_100000211969 [0,2,0,0,0,0|1,0,1]=4 12727 B15R0.133 C=CCCCCNC(=O)CCCCCCC 1626a_100000703577_100000211969 [0,2,0,0,0,0|1,0,1]=4 12728 B15R0.133 C=CCCCCNC(=O)CCCCCCC 240690a_100000703577_100000211969 [0,2,0,0,0,0|1,0,1]=4 12729 B15R0.133 C=CCCCCNC(=O)CCCCCCC 527a_100000703577_100000211969 [0,2,0,0,0,0|1,0,1]=4 12730 B15R0.133 C=CCCCCNC(C)CCCCCCC 2230a_100000703577_200011218727 [0,2,0,0,0,0|1,0,0]=3 12731 B15R0.133 C=CCCCCNC(C)CCCCCCC 270004a_100000703577_100000210596 [0,2,0,0,0,0|1,0,0]=3 12732 B15R0.133 C=CCCCCNC(C)CCCCCCC 34a_100000703577_200011218727 [0,2,0,0,0,0|1,0,0]=3 12733 B15R0.133 C=CCCCCOC(C)CCCCCCC 34a_100000766645_200011218727 [0,2,0,0,0,0|1,0,0]=3 12734 B15R0.133 C=CCCCCOC(C)CCCCCCC 34a_200011215852_100011215482 [0,2,0,0,0,0|1,0,0]=3 12735 B15R0.133 C=CCCCCOC(C)CCCCCCC 7a_100000766645_200011218727 [0,2,0,0,0,0|1,0,0]=3 12736 B15R0.133 C=CCCCCOC(C)CCCCCCC 7a_200011215852_100011215482 [0,2,0,0,0,0|1,0,0]=3 12737 B15R0.133 C=CCCCCSC(C)CCCCCCC 62a_100011215482_200011218727 [0,2,0,0,0,0|1,0,0]=3 12738 B15R0.133 C=CCCCCSC(C)CCCCCCC 62a_200011218727_100011215482 [0,2,0,0,0,0|1,0,0]=3 12739 B15R0.133 C=CCOCCOC(C)CCCCCCC 34a_100000037705_200011218727 [0,2,0,0,0,0|2,0,0]=4 12740 B15R0.133 C=CCOCCOC(C)CCCCCCC 7a_100000037705_200011218727 [0,2,0,0,0,0|2,0,0]=4 12741 B15R0.133 C=COCCCNC(C)CCCCCCC 2230a_100000210767_200011218727 [0,2,0,0,0,0|2,0,0]=4 12742 B15R0.133 C=COCCCNC(C)CCCCCCC 270004a_100000210767_100000210596 [0,2,0,0,0,0|2,0,0]=4 12743 B15R0.133 C=COCCCNC(C)CCCCCCC 34a_100000210767_200011218727 [0,2,0,0,0,0|2,0,0]=4 12744 B15R0.133 CC=CCCCOC(C)CCCCCCC 34a_100020645299_200011218727 [0,2,0,0,0,0|1,0,1]=4 12745 B15R0.133 CCCCCCCC(=O)CCCCCC#N 1458a_100000211969_100009813376 [0,2,0,0,0,0|1,0,1]=4 12746 B15R0.133 CCCCCCCC(=O)CCCCCCC 1458a_100000211969_100000210614 [0,2,0,0,0,0|1,0,1]=4 12747 B15R0.133 CCCCCCCC(=O)CCCCCCF 1458a_100000211969_100015922095 [0,2,0,0,0,0|1,0,1]=4 12748 B15R0.133 CCCCCCCC(=O)CCCCCCO 1458a_100000211969_100000766143 [0,2,0,0,0,0|0,0,2]=4 12749 B15R0.133 CCCCCCCC(=O)CCCCCCO 1458a_100011996774_100000210614 [0,2,0,0,0,0|0,0,2]=4 12750 B15R0.133 CCCCCCCC(=O)CCCCCOC 1458a_100011935119_100000210614 [0,2,0,0,0,0|2,0,0]=4 12751 B15R0.133 CCCCCCCC(C)NCCCCC#N 270004a_100000751965_100000210596 [0,2,0,0,0,0|1,0,1]=4 12752 B15R0.133 CCCCCCCC(C)NCCCCCC 2230a_100000210581_200011218727 [0,2,0,0,0,0|1,0,1]=4 12753 B15R0.133 CCCCCCCC(C)NCCCCCC 270004a_100000210581_100000210596 [0,2,0,0,0,0|1,0,1]=4 12754 B15R0.133 CCCCCCCC(C)NCCCCCO 2230a_100000762737_200011218727 [0,2,0,0,0,0|0,0,2]=4 12755 B15R0.133 CCCCCCCC(C)NCCCCCO 270004a_100000762737_100000210596 [0,2,0,0,0,0|0,0,2]=4 12756 B15R0.133 CCCCCCCC(C)NCCCCCO 34a_100000762737_200011218727 [0,2,0,0,0,0|0,0,2]=4 12757 B15R0.133 CCCCCCCC(C)OCCCCC#N 7a_200011215852_100000211819 [0,2,0,0,0,0|1,0,1]=4 12758 B15R0.133 CCCCCCCC(C)OCCCCC=O 7a_200011215852_100000139335 [0,2,0,0,0,0|0,0,0]=2 12759 B15R0.133 CCCCCCCC(C)OCCCCCBr 34a_100000746331_200011218727 [0,2,0,0,0,0|1,0,1]=4 12760 B15R0.133 CCCCCCCC(C)OCCCCCBr 7a_100000746331_200011218727 [0,2,0,0,0,0|1,0,1]=4 12761 B15R0.133 CCCCCCCC(C)OCCCCCC 34a_100000210259_200011218727 [0,2,0,0,0,0|1,0,1]=4 12762 B15R0.133 CCCCCCCC(C)OCCCCCC 34a_200011215852_100000210314 [0,2,0,0,0,0|1,0,1]=4 12763 B15R0.133 CCCCCCCC(C)OCCCCCC 7a_100000210259_200011218727 [0,2,0,0,0,0|1,0,1]=4 12764 B15R0.133 CCCCCCCC(C)OCCCCCC 7a_200011215852_100000210314 [0,2,0,0,0,0|1,0,1]=4 12765 B15R0.133 CCCCCCCC(C)OCCCCCCl 34a_100000746330_200011218727 [0,2,0,0,0,0|1,0,1]=4 12766 B15R0.133 CCCCCCCC(C)OCCCCCCl 7a_100000746330_200011218727 [0,2,0,0,0,0|1,0,1]=4 12767 B15R0.133 CCCCCCCC(C)OCCCCCF 34a_200011215852_100000729378 [0,2,0,0,0,0|1,0,1]=4 12768 B15R0.133 CCCCCCCC(C)OCCCCCF 7a_200011215852_100000729378 [0,2,0,0,0,0|1,0,1]=4 12769 B15R0.133 CCCCCCCC(C)OCCCCCI 34a_200012148887_200011218727 [0,2,0,0,0,0|1,0,1]=4 12770 B15R0.133 CCCCCCCC(C)OCCCCCI 7a_200012148887_200011218727 [0,2,0,0,0,0|1,0,1]=4 12771 B15R0.133 CCCCCCCC(C)OCCCCCN 34a_100000762737_200011218727 [0,2,0,0,0,0|1,0,1]=4 12772 B15R0.133 CCCCCCCC(C)OCCCCCO 34a_200011215852_100000746330 [0,2,0,0,0,0|0,0,2]=4 12773 B15R0.133 CCCCCCCC(C)OCCCCCO 7a_200011215852_100000746330 [0,2,0,0,0,0|0,0,2]=4 12774 B15R0.133 CCCCCCCC(C)OCCCCOC 34a_100000740925_200011218727 [0,2,0,0,0,0|2,0,0]=4 12775 B15R0.133 CCCCCCCC(C)OCCCCOC 34a_200011215852_100000755781 [0,2,0,0,0,0|2,0,0]=4 12776 B15R0.133 CCCCCCCC(C)OCCCCOC 7a_200011215852_100000730899 [0,2,0,0,0,0|2,0,0]=4 12777 B15R0.133 CCCCCCCC(C)OCCCCSC 34a_100011217163_200011218727 [0,2,0,0,0,0|2,0,0]=4 12778 B15R0.133 CCCCCCCC(C)OCCCCSC 7a_100011217163_200011218727 [0,2,0,0,0,0|2,0,0]=4 12779 B15R0.133 CCCCCCCC(C)SCCCCC#N 62a_100011219923_200011218727 [0,2,0,0,0,0|1,0,1]=4 12780 B15R0.133 CCCCCCCC(C)SCCCCC#N 62a_200011218727_100000211819 [0,2,0,0,0,0|1,0,1]=4 12781 B15R0.133 CCCCCCCC(C)SCCCCC=O 62a_100000139335_200011218727 [0,2,0,0,0,0|0,0,0]=2 12782 B15R0.133 CCCCCCCC(C)SCCCCC=O 62a_200011218727_100000139335 [0,2,0,0,0,0|0,0,0]=2 12783 B15R0.133 CCCCCCCC(C)SCCCCCF 62a_100000729378_200011218727 [0,2,0,0,0,0|1,0,1]=4 12784 B15R0.133 CCCCCCCC(C)SCCCCCF 62a_200011218727_100000729378 [0,2,0,0,0,0|1,0,1]=4 12785 B15R0.133 CCCCCCCC(C)SCCCCCO 62a_100000746330_200011218727 [0,2,0,0,0,0|0,0,2]=4 12786 B15R0.133 CCCCCCCC(C)SCCCCCO 62a_200011218727_100000746330 [0,2,0,0,0,0|0,0,2]=4 12787 B15R0.133 CCCCCCCC(C)SCCCCOC 62a_100000730899_200011218727 [0,2,0,0,0,0|2,0,0]=4 12788 B15R0.133 CCCCCCCC(C)SCCCCOC 62a_200011218727_100000730899 [0,2,0,0,0,0|2,0,0]=4 12789 B15R0.133 CCCCCCCN(C)CCCCCC#N 2230a_100000228206_100009813376 [0,2,0,0,0,0|1,0,1]=4 12790 B15R0.133 CCCCCCCN(C)CCCCCC#N 269982a_100000228206_100009813376 [0,2,0,0,0,0|1,0,1]=4 12791 B15R0.133 CCCCCCCN(C)CCCCCC=O 2230a_100000228206_100000139337 [0,2,0,0,0,0|0,0,0]=2 12792 B15R0.133 CCCCCCCN(C)CCCCCC=O 269982a_100000228206_100000139337 [0,2,0,0,0,0|0,0,0]=2 12793 B15R0.133 CCCCCCCN(C)CCCCCCC 2230a_100000228206_100000210681 [0,2,0,0,0,0|1,0,1]=4 12794 B15R0.133 CCCCCCCN(C)CCCCCCC 2230a_100000730722_200000210301 [0,2,0,0,0,0|1,0,1]=4 12795 B15R0.133 CCCCCCCN(C)CCCCCCC 269982a_100000228206_100000210681 [0,2,0,0,0,0|1,0,1]=4 12796 B15R0.133 CCCCCCCN(C)CCCCCCC 269982a_100000730722_200000210301 [0,2,0,0,0,0|1,0,1]=4 12797 B15R0.133 CCCCCCCN(C)CCCCCCF 2230a_100000228206_100015922095 [0,2,0,0,0,0|1,0,1]=4 12798 B15R0.133 CCCCCCCN(C)CCCCCCF 269982a_100000228206_100015922095 [0,2,0,0,0,0|1,0,1]=4 12799 B15R0.133 CCCCCCCN(C)CCCCCCO 2230a_100000228206_100000766143 [0,2,0,0,0,0|0,0,2]=4 12800 B15R0.133 CCCCCCCN(C)CCCCCCO 269982a_100000228206_100000766143 [0,2,0,0,0,0|0,0,2]=4 12801 B15R0.133 CCCCCCCN([13CH3])CCCCCCC 2230a_100000730722_200025704644 [0,2,0,0,0,0|1,0,1]=4 12802 B15R0.133 CCCCCCCN([13CH3])CCCCCCC 269982a_100000730722_200025704644 [0,2,0,0,0,0|1,0,1]=4 12803 B15R0.133 CCCCCCNC(=O)CSCCCC=O 62a_100000230325_200011292268 [0,2,0,0,0,0|1,0,1]=4 12804 B15R0.136 C=CCC(C)COC(C)CCCCCCC 34a_100009832082_200011218727 [0,2,0,0,0,0|2,0,0]=4 12805 B15R0.136 C=CCC(C)COC(C)CCCCCCC 7a_100009832082_200011218727 [0,2,0,0,0,0|2,0,0]=4 12806 B15R0.136 C=CCCCCNC(C)CCC(C)CCC 270004a_100000703577_200011216527 [0,2,0,0,0,0|2,0,0]=4 12807 B15R0.136 C=CC[C@@H](N)COC(C)CCCCCCC 34a_100020615467_200011218727 [0,2,0,0,0,0|2,0,0]=4 12808 B15R0.138 C=CCCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000754431 [0,2,0,0,0,0|1,0,1]=4 12809 B15R0.138 C=CCCC(C)OC(C)CCCCCCC 34a_100000765329_200011218727 [0,2,0,0,0,0|2,0,0]=4 12810 B15R0.138 C=CCCC(C)OC(C)CCCCCCC 7a_100000765329_200011218727 [0,2,0,0,0,0|2,0,0]=4 12811 B15R0.149 C#CCCCCC(=O)CCCCCCCC 1458a_100000210188_100010269958 [0,2,0,0,0,0|1,0,1]=4 12812 B15R0.149 C#CCCCCC(=O)CCCCCCCC 1458a_100000696528_100000210759 [0,2,0,0,0,0|1,0,1]=4 12813 B15R0.149 C#CCCCCCCC(=O)CCCCCC 1458a_100000034748_100000210757 [0,2,0,0,0,0|1,0,1]=4 12814 B15R0.149 C#CCCCCCCC(=O)CCCCCC 1458a_100102632555_100012276617 [0,2,0,0,0,0|1,0,1]=4 12815 B15R0.149 C#CCCCCCCN(C)CCCCCC 2230a_106256046315_100012276617 [0,2,0,0,0,0|1,0,1]=4 12816 B15R0.149 C#CCCCCCCN(C)CCCCCC 269982a_106256046315_100012276617 [0,2,0,0,0,0|1,0,1]=4 12817 B15R0.149 C#CCCCCCNC(C)CCCCCC 2230a_100000210919_100012094781 [0,2,0,0,0,0|1,0,1]=4 12818 B15R0.149 C#CCCCCCNC(C)CCCCCC 34a_100000210919_100012094781 [0,2,0,0,0,0|1,0,1]=4 12819 B15R0.149 C#CCCCCCOC(C)CCCCCC 34a_100000210265_100012094781 [0,2,0,0,0,0|1,0,1]=4 12820 B15R0.149 C#CCCCCCOC(C)CCCCCC 34a_100000766912_100011215978 [0,2,0,0,0,0|1,0,1]=4 12821 B15R0.149 C#CCCCCCOC(C)CCCCCC 7a_100000210265_100012094781 [0,2,0,0,0,0|1,0,1]=4 12822 B15R0.149 C#CCCCCCOC(C)CCCCCC 7a_100000766912_100011215978 [0,2,0,0,0,0|1,0,1]=4 12823 B15R0.149 C#CCCCCCSC(C)CCCCCC 62a_100011215978_100012094781 [0,2,0,0,0,0|1,0,1]=4 12824 B15R0.149 C#CCCCCCSC(C)CCCCCC 62a_100012094781_100011215978 [0,2,0,0,0,0|1,0,1]=4 12825 B15R0.149 C#CCCCCN(C)CCCCCCCC 2230a_100000207567_100010269958 [0,2,0,0,0,0|1,0,1]=4 12826 B15R0.149 C#CCCCCN(C)CCCCCCCC 269982a_100000207567_100010269958 [0,2,0,0,0,0|1,0,1]=4 12827 B15R0.149 C#CCCCNC(C)CCCCCCCC 270004a_100000718082_100011216694 [0,2,0,0,0,0|1,0,1]=4 12828 B15R0.149 C#CCCCOC(C)CCCCCCCC 34a_100000210740_100000695029 [0,2,0,0,0,0|1,0,1]=4 12829 B15R0.149 C#CCCCOC(C)CCCCCCCC 7a_100000210740_100011215417 [0,2,0,0,0,0|1,0,1]=4 12830 B15R0.149 C#CCCCOCCC(C)CCCCCC 34a_200011024964_100000695029 [0,2,0,0,0,0|1,0,1]=4 12831 B15R0.149 C#CCCCOCCC(C)CCCCCC 7a_200011024964_100011215417 [0,2,0,0,0,0|1,0,1]=4 12832 B15R0.149 C#CCCOCC(C)CCCCCCCC 34a_200012125181_100000688953 [0,2,0,0,0,0|1,0,1]=4 12833 B15R0.149 C#CCCOCC(C)CCCCCCCC 7a_200012125181_100000688953 [0,2,0,0,0,0|1,0,1]=4 12834 B15R0.149 C/C=C/COCC(C)CCCCCCCC 34a_200012125181_100102629194 [0,2,0,0,0,0|1,0,1]=4 12835 B15R0.149 C/C=C/COCC(C)CCCCCCCC 7a_200012125181_100102629194 [0,2,0,0,0,0|1,0,1]=4 12836 B15R0.149 C=CCCCCC(=O)CCCCCCCC 1458a_100000210188_100011215482 [0,2,0,0,0,0|1,0,0]=3 12837 B15R0.149 C=CCCCCC(=O)CCCCCCCC 1458a_100011215552_100000210759 [0,2,0,0,0,0|1,0,0]=3 12838 B15R0.149 C=CCCCCC(=O)CCCCCCCO 1458a_100011215552_100000760002 [0,2,0,0,0,0|1,0,1]=4 12839 B15R0.149 C=CCCCCC(=O)CCCCCCCO 1458a_100011219782_100011215482 [0,2,0,0,0,0|1,0,1]=4 12840 B15R0.149 C=CCCCCC(=O)CCCCCCOC 1458a_100011215552_100011998445 [0,2,0,0,0,0|1,0,1]=4 12841 B15R0.149 C=CCCCCC(=O)NCCCCCCC 11a_100000229938_100011215552 [0,2,0,0,0,0|1,0,1]=4 12842 B15R0.149 C=CCCCCC(=O)NCCCCCCC 1626a_100000229938_100011215552 [0,2,0,0,0,0|1,0,1]=4 12843 B15R0.149 C=CCCCCC(=O)NCCCCCCC 240690a_100000229938_100011215552 [0,2,0,0,0,0|1,0,1]=4 12844 B15R0.149 C=CCCCCC(=O)NCCCCCCC 527a_100000229938_100011215552 [0,2,0,0,0,0|1,0,1]=4 12845 B15R0.149 C=CCCCCCCC(=O)CCCCCC 1458a_100011809334_100000210757 [0,2,0,0,0,0|1,0,0]=3 12846 B15R0.149 C=CCCCCCCC(=O)CCCCCC 1458a_100102632555_100011215473 [0,2,0,0,0,0|1,0,0]=3 12847 B15R0.149 C=CCCCCCCC(=O)CCCCCF 1458a_100011809334_100000729378 [0,2,0,0,0,0|1,0,1]=4 12848 B15R0.149 C=CCCCCCCC(=O)CCCCCO 1458a_100011809334_100000746330 [0,2,0,0,0,0|1,0,1]=4 12849 B15R0.149 C=CCCCCCCC(=O)CCCCCO 1458a_100102619762_100011215473 [0,2,0,0,0,0|1,0,1]=4 12850 B15R0.149 C=CCCCCCCC(=O)CCCCOC 1458a_100011809334_100000755781 [0,2,0,0,0,0|1,0,1]=4 12851 B15R0.149 C=CCCCCCCC(=O)CCCOCC 1458a_100011809334_100012232248 [0,2,0,0,0,0|1,0,1]=4 12852 B15R0.149 C=CCCCCCCC(=O)CCOCCC 1458a_100011809334_100011215938 [0,2,0,0,0,0|1,0,1]=4 12853 B15R0.149 C=CCCCCCCC(=O)COCCCC 1458a_100000757543_100011215473 [0,2,0,0,0,0|1,0,1]=4 12854 B15R0.149 C=CCCCCCCC(=O)COCCCC 1458a_100011809334_100011995733 [0,2,0,0,0,0|1,0,1]=4 12855 B15R0.149 C=CCCCCCCC(=O)CSCCCC 1458a_100000191162_100011215473 [0,2,0,0,0,0|1,0,1]=4 12856 B15R0.149 C=CCCCCCCC(=O)NCCCCC 11a_100000209983_100011809334 [0,2,0,0,0,0|1,0,1]=4 12857 B15R0.149 C=CCCCCCCC(=O)NCCCCC 1626a_100000209983_100011809334 [0,2,0,0,0,0|1,0,1]=4 12858 B15R0.149 C=CCCCCCCC(=O)NCCCCC 240690a_100000209983_100011809334 [0,2,0,0,0,0|1,0,1]=4 12859 B15R0.149 C=CCCCCCCC(=O)NCCCCC 527a_100000209983_100011809334 [0,2,0,0,0,0|1,0,1]=4 12860 B15R0.149 C=CCCCCCCN(C)CCCCCC 2230a_106256046315_100011215473 [0,2,0,0,0,0|1,0,0]=3 12861 B15R0.149 C=CCCCCCCN(C)CCCCCC 269982a_106256046315_100011215473 [0,2,0,0,0,0|1,0,0]=3 12862 B15R0.149 C=CCCCCCCN(C)CCCCCO 2230a_100000722520_100011215473 [0,2,0,0,0,0|2,0,0]=4 12863 B15R0.149 C=CCCCCCCN(C)CCCCCO 269982a_100000722520_100011215473 [0,2,0,0,0,0|2,0,0]=4 12864 B15R0.149 C=CCCCCCNC(C)CCCCCC 2230a_100000210919_100000700193 [0,2,0,0,0,0|1,0,0]=3 12865 B15R0.149 C=CCCCCCNC(C)CCCCCC 34a_100000210919_100000700193 [0,2,0,0,0,0|1,0,0]=3 12866 B15R0.149 C=CCCCCCOC(C)CCCCCC 34a_100000210265_100000700193 [0,2,0,0,0,0|1,0,0]=3 12867 B15R0.149 C=CCCCCCOC(C)CCCCCC 34a_100011216702_100011215978 [0,2,0,0,0,0|1,0,0]=3 12868 B15R0.149 C=CCCCCCOC(C)CCCCCC 7a_100000210265_100000700193 [0,2,0,0,0,0|1,0,0]=3 12869 B15R0.149 C=CCCCCCOC(C)CCCCCC 7a_100011216702_100011215978 [0,2,0,0,0,0|1,0,0]=3 12870 B15R0.149 C=CCCCCCOC(C)COCCCC 34a_100011217071_100000700193 [0,2,0,0,0,0|2,0,0]=4 12871 B15R0.149 C=CCCCCCOC(C)COCCCC 7a_100011217071_100000700193 [0,2,0,0,0,0|2,0,0]=4 12872 B15R0.149 C=CCCCCCSC(C)CCCCCC 62a_100000700193_100011215978 [0,2,0,0,0,0|1,0,0]=3 12873 B15R0.149 C=CCCCCCSC(C)CCCCCC 62a_100011215978_100000700193 [0,2,0,0,0,0|1,0,0]=3 12874 B15R0.149 C=CCCCCN(C)CCCCCCCC 2230a_100000207567_100011215482 [0,2,0,0,0,0|1,0,0]=3 12875 B15R0.149 C=CCCCCN(C)CCCCCCCC 2230a_100012000471_100000210759 [0,2,0,0,0,0|1,0,0]=3 12876 B15R0.149 C=CCCCCN(C)CCCCCCCC 269982a_100000207567_100011215482 [0,2,0,0,0,0|1,0,0]=3 12877 B15R0.149 C=CCCCCN(C)CCCCCCCC 269982a_100012000471_100000210759 [0,2,0,0,0,0|1,0,0]=3 12878 B15R0.149 C=CCCCCN(C)CCCCCCCO 2230a_100012000471_100000760002 [0,2,0,0,0,0|2,0,0]=4 12879 B15R0.149 C=CCCCCN(C)CCCCCCCO 269982a_100012000471_100000760002 [0,2,0,0,0,0|2,0,0]=4 12880 B15R0.149 C=CCCCCN(C)CCCCCCOC 2230a_100012000471_100011998445 [0,2,0,0,0,0|2,0,0]=4 12881 B15R0.149 C=CCCCCN(C)CCCCCCOC 269982a_100012000471_100011998445 [0,2,0,0,0,0|2,0,0]=4 12882 B15R0.149 C=CCCCNC(=O)CCCCCCCC 11a_100000700776_100000210188 [0,2,0,0,0,0|1,0,1]=4 12883 B15R0.149 C=CCCCNC(=O)CCCCCCCC 1626a_100000700776_100000210188 [0,2,0,0,0,0|1,0,1]=4 12884 B15R0.149 C=CCCCNC(=O)CCCCCCCC 240690a_100000700776_100000210188 [0,2,0,0,0,0|1,0,1]=4 12885 B15R0.149 C=CCCCNC(=O)CCCCCCCC 527a_100000700776_100000210188 [0,2,0,0,0,0|1,0,1]=4 12886 B15R0.149 C=CCCCNC(C)CCCCCCCC 270004a_100000700776_100011216694 [0,2,0,0,0,0|1,0,0]=3 12887 B15R0.149 C=CCCCOC(C)CCCCCCCC 34a_100000210740_100000757094 [0,2,0,0,0,0|1,0,0]=3 12888 B15R0.149 C=CCCCOC(C)CCCCCCCC 7a_100000210740_100000757094 [0,2,0,0,0,0|1,0,0]=3 12889 B15R0.149 C=CCCCOCCC(C)CCCCCC 34a_200011024964_100000757094 [0,2,0,0,0,0|1,0,0]=3 12890 B15R0.149 C=CCCCOCCC(C)CCCCCC 7a_200011024964_100000757094 [0,2,0,0,0,0|1,0,0]=3 12891 B15R0.149 C=CCCNCC(C)CCCCCCCC 270004a_100015191253_100011995885 [0,2,0,0,0,0|1,0,0]=3 12892 B15R0.149 C=CCCOCC(C)CCCCCCCC 34a_200012125181_100000754431 [0,2,0,0,0,0|1,0,0]=3 12893 B15R0.149 C=CCCOCC(C)CCCCCCCC 7a_200012125181_100000754431 [0,2,0,0,0,0|1,0,0]=3 12894 B15R0.149 C=CCOCCC(=O)CCCCCCCC 1458a_200011217002_100000210759 [0,2,0,0,0,0|1,0,1]=4 12895 B15R0.149 C=COCCCCOC(C)CCCCCC 34a_100000031558_100011215978 [0,2,0,0,0,0|2,0,0]=4 12896 B15R0.149 C=COCCCCOC(C)CCCCCC 7a_100000031558_100011215978 [0,2,0,0,0,0|2,0,0]=4 12897 B15R0.149 C=COCCOC(C)CCCCCCCC 34a_100000210740_100000039644 [0,2,0,0,0,0|2,0,0]=4 12898 B15R0.149 C=COCCOC(C)CCCCCCCC 7a_100000210740_100000039644 [0,2,0,0,0,0|2,0,0]=4 12899 B15R0.149 C=COCCOCCC(C)CCCCCC 34a_200011024964_100000039644 [0,2,0,0,0,0|2,0,0]=4 12900 B15R0.149 C=COCCOCCC(C)CCCCCC 7a_200011024964_100000039644 [0,2,0,0,0,0|2,0,0]=4 12901 B15R0.149 CC=CCOCC(C)CCCCCCCC 34a_200012125181_100000070051 [0,2,0,0,0,0|1,0,1]=4 12902 B15R0.149 CC=CCOCC(C)CCCCCCCC 7a_200012125181_100000070051 [0,2,0,0,0,0|1,0,1]=4 12903 B15R0.149 CCCCCCC(=O)CCCCCCC#N 1458a_100102632555_100009813337 [0,2,0,0,0,0|1,0,1]=4 12904 B15R0.149 CCCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210757 [0,2,0,0,0,0|0,0,2]=4 12905 B15R0.149 CCCCCCC(=O)CCCCCCCO 1458a_100102632555_100000760002 [0,2,0,0,0,0|0,0,2]=4 12906 B15R0.149 CCCCCCC(=O)CCCCCCOC 1458a_100102632555_100011998445 [0,2,0,0,0,0|2,0,0]=4 12907 B15R0.149 CCCCCCC(C)CCOCCCC#N 7a_200011024964_100000687738 [0,2,0,0,0,0|1,0,1]=4 12908 B15R0.149 CCCCCCC(C)CCOCCCC=O 7a_200011024964_200011292268 [0,2,0,0,0,0|0,0,0]=2 12909 B15R0.149 CCCCCCC(C)CCOCCCCC 34a_200011024964_100000718602 [0,2,0,0,0,0|1,0,1]=4 12910 B15R0.149 CCCCCCC(C)CCOCCCCC 7a_200011024964_100000210326 [0,2,0,0,0,0|1,0,1]=4 12911 B15R0.149 CCCCCCC(C)CCOCCCCF 34a_200011024964_100000729493 [0,2,0,0,0,0|1,0,1]=4 12912 B15R0.149 CCCCCCC(C)CCOCCCCF 7a_200011024964_100000729493 [0,2,0,0,0,0|1,0,1]=4 12913 B15R0.149 CCCCCCC(C)CCOCCCCO 34a_200011024964_100011216708 [0,2,0,0,0,0|0,0,2]=4 12914 B15R0.149 CCCCCCC(C)CCOCCCCO 7a_200011024964_100000210776 [0,2,0,0,0,0|0,0,2]=4 12915 B15R0.149 CCCCCCC(C)CCOCCCOC 34a_200011024964_100000740836 [0,2,0,0,0,0|2,0,0]=4 12916 B15R0.149 CCCCCCC(C)CCOCCCOC 7a_200011024964_100000740836 [0,2,0,0,0,0|2,0,0]=4 12917 B15R0.149 CCCCCCC(C)NCCCCCC#N 2230a_100000210919_100009813376 [0,2,0,0,0,0|1,0,1]=4 12918 B15R0.149 CCCCCCC(C)NCCCCCC#N 270004a_100000061152_100000210826 [0,2,0,0,0,0|1,0,1]=4 12919 B15R0.149 CCCCCCC(C)NCCCCCC=O 2230a_100000210919_100000139337 [0,2,0,0,0,0|0,0,0]=2 12920 B15R0.149 CCCCCCC(C)NCCCCCCF 2230a_100000210919_100015922095 [0,2,0,0,0,0|1,0,1]=4 12921 B15R0.149 CCCCCCC(C)NCCCCCCF 34a_100000210919_100015922095 [0,2,0,0,0,0|1,0,1]=4 12922 B15R0.149 CCCCCCC(C)NCCCCCCO 2230a_100000210919_100000766143 [0,2,0,0,0,0|0,0,2]=4 12923 B15R0.149 CCCCCCC(C)NCCCCCCO 2230a_100000686447_100011215978 [0,2,0,0,0,0|0,0,2]=4 12924 B15R0.149 CCCCCCC(C)NCCCCCCO 270004a_100000686447_100000210826 [0,2,0,0,0,0|0,0,2]=4 12925 B15R0.149 CCCCCCC(C)NCCCCCCO 34a_100000210919_100000766143 [0,2,0,0,0,0|0,0,2]=4 12926 B15R0.149 CCCCCCC(C)NCCCCCCO 34a_100000686447_100011215978 [0,2,0,0,0,0|0,0,2]=4 12927 B15R0.149 CCCCCCC(C)NCCCCCOC 2230a_100000747528_100011215978 [0,2,0,0,0,0|2,0,0]=4 12928 B15R0.149 CCCCCCC(C)NCCCCCOC 270004a_100000747528_100000210826 [0,2,0,0,0,0|2,0,0]=4 12929 B15R0.149 CCCCCCC(C)NCCCCCOC 34a_100000747528_100011215978 [0,2,0,0,0,0|2,0,0]=4 12930 B15R0.149 CCCCCCC(C)OCCCCCC#N 7a_100000210265_100009813376 [0,2,0,0,0,0|1,0,1]=4 12931 B15R0.149 CCCCCCC(C)OCCCCCC=O 7a_100000210265_100000139337 [0,2,0,0,0,0|0,0,0]=2 12932 B15R0.149 CCCCCCC(C)OCCCCCCBr 34a_100011215345_100011215978 [0,2,0,0,0,0|1,0,1]=4 12933 B15R0.149 CCCCCCC(C)OCCCCCCBr 7a_100011215345_100011215978 [0,2,0,0,0,0|1,0,1]=4 12934 B15R0.149 CCCCCCC(C)OCCCCCCCl 34a_100000766143_100011215978 [0,2,0,0,0,0|1,0,1]=4 12935 B15R0.149 CCCCCCC(C)OCCCCCCCl 7a_100000766143_100011215978 [0,2,0,0,0,0|1,0,1]=4 12936 B15R0.149 CCCCCCC(C)OCCCCCCF 34a_100000210265_100015922095 [0,2,0,0,0,0|1,0,1]=4 12937 B15R0.149 CCCCCCC(C)OCCCCCCF 34a_100000732779_100011215978 [0,2,0,0,0,0|1,0,1]=4 12938 B15R0.149 CCCCCCC(C)OCCCCCCF 7a_100000210265_100015922095 [0,2,0,0,0,0|1,0,1]=4 12939 B15R0.149 CCCCCCC(C)OCCCCCCF 7a_100000732779_100011215978 [0,2,0,0,0,0|1,0,1]=4 12940 B15R0.149 CCCCCCC(C)OCCCCCCN 34a_100000686447_100011215978 [0,2,0,0,0,0|1,0,1]=4 12941 B15R0.149 CCCCCCC(C)OCCCCCCO 34a_100000210265_100000766143 [0,2,0,0,0,0|0,0,2]=4 12942 B15R0.149 CCCCCCC(C)OCCCCCCO 7a_100000210265_100000766143 [0,2,0,0,0,0|0,0,2]=4 12943 B15R0.149 CCCCCCC(C)OCCCCCNC 34a_100000722520_100011215978 [0,2,0,0,0,0|2,0,0]=4 12944 B15R0.149 CCCCCCC(C)SCCCCCC#N 62a_100009813376_100011215978 [0,2,0,0,0,0|1,0,1]=4 12945 B15R0.149 CCCCCCC(C)SCCCCCC#N 62a_100011215978_100009813376 [0,2,0,0,0,0|1,0,1]=4 12946 B15R0.149 CCCCCCC(C)SCCCCCC=O 62a_100000139337_100011215978 [0,2,0,0,0,0|0,0,0]=2 12947 B15R0.149 CCCCCCC(C)SCCCCCC=O 62a_100011215978_100000139337 [0,2,0,0,0,0|0,0,0]=2 12948 B15R0.149 CCCCCCC(C)SCCCCCCF 62a_100011215978_100015922095 [0,2,0,0,0,0|1,0,1]=4 12949 B15R0.149 CCCCCCC(C)SCCCCCCF 62a_100015922095_100011215978 [0,2,0,0,0,0|1,0,1]=4 12950 B15R0.149 CCCCCCC(C)SCCCCCCO 62a_100000766143_100011215978 [0,2,0,0,0,0|0,0,2]=4 12951 B15R0.149 CCCCCCC(C)SCCCCCCO 62a_100011215978_100000766143 [0,2,0,0,0,0|0,0,2]=4 12952 B15R0.149 CCCCCCCCC(=O)CCCCC#N 1458a_100000210188_100000211819 [0,2,0,0,0,0|1,0,1]=4 12953 B15R0.149 CCCCCCCCC(=O)CCCCCC 1458a_100000210188_100000210757 [0,2,0,0,0,0|1,0,1]=4 12954 B15R0.149 CCCCCCCCC(=O)CCCCCC 1458a_100102632555_100000210759 [0,2,0,0,0,0|1,0,1]=4 12955 B15R0.149 CCCCCCCCC(=O)CCCCCF 1458a_100000210188_100000729378 [0,2,0,0,0,0|1,0,1]=4 12956 B15R0.149 CCCCCCCCC(=O)CCCCCO 1458a_100000210188_100000746330 [0,2,0,0,0,0|0,0,2]=4 12957 B15R0.149 CCCCCCCCC(=O)CCCCCO 1458a_100102619762_100000210759 [0,2,0,0,0,0|0,0,2]=4 12958 B15R0.149 CCCCCCCCC(=O)CCCCOC 1458a_100000210188_100000755781 [0,2,0,0,0,0|2,0,0]=4 12959 B15R0.149 CCCCCCCCC(C)CNCCC#N 270004a_100000720768_100011995885 [0,2,0,0,0,0|1,0,1]=4 12960 B15R0.149 CCCCCCCCC(C)CNCCCC 270004a_100000102301_100011995885 [0,2,0,0,0,0|1,0,1]=4 12961 B15R0.149 CCCCCCCCC(C)CNCCCF 270004a_100015189416_100011995885 [0,2,0,0,0,0|1,0,1]=4 12962 B15R0.149 CCCCCCCCC(C)CNCCCO 270004a_100000182051_100011995885 [0,2,0,0,0,0|0,0,2]=4 12963 B15R0.149 CCCCCCCCC(C)CNCCOC 270004a_100000209980_100011995885 [0,2,0,0,0,0|2,0,0]=4 12964 B15R0.149 CCCCCCCCC(C)CNCCSC 270004a_100020590264_100011995885 [0,2,0,0,0,0|2,0,0]=4 12965 B15R0.149 CCCCCCCCC(C)COCCC#N 7a_200012125181_100000184422 [0,2,0,0,0,0|1,0,1]=4 12966 B15R0.149 CCCCCCCCC(C)COCCCC 34a_200012125181_100000210210 [0,2,0,0,0,0|1,0,1]=4 12967 B15R0.149 CCCCCCCCC(C)COCCCC 7a_200012125181_100000210211 [0,2,0,0,0,0|1,0,1]=4 12968 B15R0.149 CCCCCCCCC(C)COCCCF 34a_200012125181_100011934791 [0,2,0,0,0,0|1,0,1]=4 12969 B15R0.149 CCCCCCCCC(C)COCCCF 7a_200012125181_100011934791 [0,2,0,0,0,0|1,0,1]=4 12970 B15R0.149 CCCCCCCCC(C)COCCCO 34a_200012125181_100000230001 [0,2,0,0,0,0|0,0,2]=4 12971 B15R0.149 CCCCCCCCC(C)COCCCO 7a_200012125181_100011215043 [0,2,0,0,0,0|0,0,2]=4 12972 B15R0.149 CCCCCCCCC(C)COCCOC 34a_200012125181_100011201679 [0,2,0,0,0,0|2,0,0]=4 12973 B15R0.149 CCCCCCCCC(C)COCCOC 7a_200012125181_100000233755 [0,2,0,0,0,0|2,0,0]=4 12974 B15R0.149 CCCCCCCCC(C)COCCSC 34a_200012125181_100000212216 [0,2,0,0,0,0|2,0,0]=4 12975 B15R0.149 CCCCCCCCC(C)COCCSC 7a_200012125181_100000212216 [0,2,0,0,0,0|2,0,0]=4 12976 B15R0.149 CCCCCCCCC(C)NCCCCC 270004a_100000209983_100011216694 [0,2,0,0,0,0|1,0,1]=4 12977 B15R0.149 CCCCCCCCC(C)NCCCCO 270004a_100000750430_100011216694 [0,2,0,0,0,0|0,0,2]=4 12978 B15R0.149 CCCCCCCCC(C)NCCCOC 270004a_100150723488_100011216694 [0,2,0,0,0,0|2,0,0]=4 12979 B15R0.149 CCCCCCCCC(C)NCCCSC 270004a_100000749238_100011216694 [0,2,0,0,0,0|2,0,0]=4 12980 B15R0.149 CCCCCCCCC(C)OCCCC#N 7a_100000210740_100000687738 [0,2,0,0,0,0|1,0,1]=4 12981 B15R0.149 CCCCCCCCC(C)OCCCC=O 7a_100000210740_200011292268 [0,2,0,0,0,0|0,0,0]=2 12982 B15R0.149 CCCCCCCCC(C)OCCCCC 34a_100000210740_100000718602 [0,2,0,0,0,0|1,0,1]=4 12983 B15R0.149 CCCCCCCCC(C)OCCCCC 7a_100000210740_100000210326 [0,2,0,0,0,0|1,0,1]=4 12984 B15R0.149 CCCCCCCCC(C)OCCCCF 34a_100000210740_100000729493 [0,2,0,0,0,0|1,0,1]=4 12985 B15R0.149 CCCCCCCCC(C)OCCCCF 7a_100000210740_100000729493 [0,2,0,0,0,0|1,0,1]=4 12986 B15R0.149 CCCCCCCCC(C)OCCCCO 34a_100000210740_100011216708 [0,2,0,0,0,0|0,0,2]=4 12987 B15R0.149 CCCCCCCCC(C)OCCCCO 7a_100000210740_100000210776 [0,2,0,0,0,0|0,0,2]=4 12988 B15R0.149 CCCCCCCCC(C)OCCCOC 34a_100000210740_100000740836 [0,2,0,0,0,0|2,0,0]=4 12989 B15R0.149 CCCCCCCCC(C)OCCCOC 7a_100000210740_100000740836 [0,2,0,0,0,0|2,0,0]=4 12990 B15R0.149 CCCCCCCCN(C)CCCCC#N 2230a_100000207567_100000211819 [0,2,0,0,0,0|1,0,1]=4 12991 B15R0.149 CCCCCCCCN(C)CCCCC#N 269982a_100000207567_100011219923 [0,2,0,0,0,0|1,0,1]=4 12992 B15R0.149 CCCCCCCCN(C)CCCCC=O 2230a_100000207567_100000139335 [0,2,0,0,0,0|0,0,0]=2 12993 B15R0.149 CCCCCCCCN(C)CCCCC=O 269982a_100000207567_100000139335 [0,2,0,0,0,0|0,0,0]=2 12994 B15R0.149 CCCCCCCCN(C)CCCCCC 2230a_100000207567_100000210314 [0,2,0,0,0,0|1,0,1]=4 12995 B15R0.149 CCCCCCCCN(C)CCCCCC 2230a_106256046315_100000210759 [0,2,0,0,0,0|1,0,1]=4 12996 B15R0.149 CCCCCCCCN(C)CCCCCC 269982a_100000207567_100000210757 [0,2,0,0,0,0|1,0,1]=4 12997 B15R0.149 CCCCCCCCN(C)CCCCCC 269982a_106256046315_100000210759 [0,2,0,0,0,0|1,0,1]=4 12998 B15R0.149 CCCCCCCCN(C)CCCCCF 2230a_100000207567_100000729378 [0,2,0,0,0,0|1,0,1]=4 12999 B15R0.149 CCCCCCCCN(C)CCCCCF 269982a_100000207567_100000729378 [0,2,0,0,0,0|1,0,1]=4 13000 B15R0.149 CCCCCCCCN(C)CCCCCO 2230a_100000207567_100000746330 [0,2,0,0,0,0|0,0,2]=4 13001 B15R0.149 CCCCCCCCN(C)CCCCCO 2230a_100000722520_100000210759 [0,2,0,0,0,0|0,0,2]=4 13002 B15R0.149 CCCCCCCCN(C)CCCCCO 269982a_100000207567_100000746330 [0,2,0,0,0,0|0,0,2]=4 13003 B15R0.149 CCCCCCCCN(C)CCCCCO 269982a_100000722520_100000210759 [0,2,0,0,0,0|0,0,2]=4 13004 B15R0.149 CCCCCCCCN(C)CCCCOC 2230a_100000207567_100000730899 [0,2,0,0,0,0|2,0,0]=4 13005 B15R0.149 CCCCCCCCN(C)CCCCOC 269982a_100000207567_100000730899 [0,2,0,0,0,0|2,0,0]=4 13006 B15R0.149 CCCCCCCNC(C)CCCCCC 2230a_100000210919_100000210681 [0,2,0,0,0,0|1,0,1]=4 13007 B15R0.149 CCCCCCCNC(C)CCCCCC 2230a_100000229938_100011215978 [0,2,0,0,0,0|1,0,1]=4 13008 B15R0.149 CCCCCCCNC(C)CCCCCC 270004a_100000229938_100000210826 [0,2,0,0,0,0|1,0,1]=4 13009 B15R0.149 CCCCCCCNC(C)CCCCCC 34a_100000210919_100000210614 [0,2,0,0,0,0|1,0,1]=4 13010 B15R0.149 CCCCCCCOC(C)CCCCCC 34a_100000210265_100000210614 [0,2,0,0,0,0|1,0,1]=4 13011 B15R0.149 CCCCCCCOC(C)CCCCCC 34a_100000210272_100011215978 [0,2,0,0,0,0|1,0,1]=4 13012 B15R0.149 CCCCCCCOC(C)CCCCCC 7a_100000210265_100000210614 [0,2,0,0,0,0|1,0,1]=4 13013 B15R0.149 CCCCCCCOC(C)CCCCCC 7a_100000210272_100011215978 [0,2,0,0,0,0|1,0,1]=4 13014 B15R0.149 CCCCCCN(C)CCCCCCC#N 2230a_106256046315_100009813337 [0,2,0,0,0,0|1,0,1]=4 13015 B15R0.149 CCCCCCN(C)CCCCCCC#N 269982a_106256046315_100009813337 [0,2,0,0,0,0|1,0,1]=4 13016 B15R0.149 CCCCCCN(C)CCCCCCCO 2230a_106256046315_100000760002 [0,2,0,0,0,0|0,0,2]=4 13017 B15R0.149 CCCCCCN(C)CCCCCCCO 269982a_106256046315_100000760002 [0,2,0,0,0,0|0,0,2]=4 13018 B15R0.149 CCCCCCN(C)CCCCCCOC 2230a_106256046315_100011998445 [0,2,0,0,0,0|2,0,0]=4 13019 B15R0.149 CCCCCCN(C)CCCCCCOC 269982a_106256046315_100011998445 [0,2,0,0,0,0|2,0,0]=4 13020 B15R0.149 CCCCCNC(=O)CSCCCCC=O 62a_100000139335_100000230301 [0,2,0,0,0,0|1,0,1]=4 13021 B15R0.149 CCCCCNC(=O)CSCCCCC=O 62a_100000230301_100000139335 [0,2,0,0,0,0|1,0,1]=4 13022 B15R0.149 CCCCOCC(C)OCCCCCC=O 7a_100011217071_100000139337 [0,2,0,0,0,0|1,0,0]=3 13023 B15R0.189 C=CC(O)COCCC(C)CCCCCC 34a_200011024964_100000730141 [0,2,0,0,0,0|2,0,0]=4 13024 B15R0.189 C=CC(O)COCCC(C)CCCCCC 7a_200011024964_100000730141 [0,2,0,0,0,0|2,0,0]=4 13025 B15R0.193 C=C(C)CCOCCC(C)CCCCCC 34a_200011024964_100000730704 [0,2,0,0,0,0|2,0,0]=4 13026 B15R0.193 C=C(C)CCOCCC(C)CCCCCC 7a_200011024964_100000730704 [0,2,0,0,0,0|2,0,0]=4 13027 B15R0.193 C=CCCCCC(=O)CCCCCC(C)C 1458a_100000766313_100011215482 [0,2,0,0,0,0|1,0,1]=4 13028 B15R0.193 C=CCCCCC(=O)CCCCCC(C)C 1458a_100011215552_100000210682 [0,2,0,0,0,0|1,0,1]=4 13029 B15R0.193 C=CCCCCN(C)CCCCCC(C)C 2230a_100012000471_100000210682 [0,2,0,0,0,0|2,0,0]=4 13030 B15R0.193 C=CCCCCN(C)CCCCCC(C)C 269982a_100012000471_100000210682 [0,2,0,0,0,0|2,0,0]=4 13031 B15R0.193 CCCCCCC(=O)CCCCCC(=O)N 1458a_100102632555_100009817443 [0,2,0,0,0,0|0,0,1]=3 13032 B15R0.193 CCCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210757 [0,2,0,0,0,0|1,0,1]=4 13033 B15R0.193 CCCCCCC(=O)CCCCOC(=O)C 1458a_100102632555_100000033659 [0,2,0,0,0,0|1,0,1]=4 13034 B15R0.193 CCCCCCC(=O)CCCCSC(=O)C 1458a_100102632555_200010402107 [0,2,0,0,0,0|1,0,1]=4 13035 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100102632555 [0,2,0,0,0,0|1,0,1]=4 13036 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100102632555 [0,2,0,0,0,0|1,0,1]=4 13037 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100102632555 [0,2,0,0,0,0|1,0,1]=4 13038 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100102632555 [0,2,0,0,0,0|1,0,1]=4 13039 B15R0.193 CCCCCCC(C)CCOCCC(=O)C 7a_200011024964_100000053229 [0,2,0,0,0,0|1,0,0]=3 13040 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 34a_200011024964_100000731001 [0,2,0,0,0,0|1,0,0]=3 13041 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 7a_200011024964_100000744528 [0,2,0,0,0,0|1,0,0]=3 13042 B15R0.193 CCCCCCC(C)CCOCOC(=O)C 34a_200011024964_100009813279 [0,2,0,0,0,0|2,0,0]=4 13043 B15R0.193 CCCCCCC(C)NCCCCC(=O)C 34a_100000210919_100009817362 [0,2,0,0,0,0|1,0,0]=3 13044 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210826 [0,2,0,0,0,0|1,0,0]=3 13045 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 34a_100000696515_100011215978 [0,2,0,0,0,0|1,0,0]=3 13046 B15R0.193 CCCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000210826 [0,2,0,0,0,0|2,0,0]=4 13047 B15R0.193 CCCCCCC(C)NCCCNC(=O)C 34a_100000736810_100011215978 [0,2,0,0,0,0|2,0,0]=4 13048 B15R0.193 CCCCCCC(C)NCCCOC(=O)C 34a_100000210919_100000042594 [0,2,0,0,0,0|2,0,0]=4 13049 B15R0.193 CCCCCCC(C)NCCCSC(=O)C 2230a_100000210919_100000038929 [0,2,0,0,0,0|2,0,0]=4 13050 B15R0.193 CCCCCCC(C)NCCCSC(=O)C 34a_100000210919_100000038929 [0,2,0,0,0,0|2,0,0]=4 13051 B15R0.193 CCCCCCC(C)NCCOCC(=O)N 2230a_100000210919_100000076697 [0,2,0,0,0,0|2,0,0]=4 13052 B15R0.193 CCCCCCC(C)NCCOCC(=O)N 34a_100000210919_100000076697 [0,2,0,0,0,0|2,0,0]=4 13053 B15R0.193 CCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_100011215978 [0,2,0,0,0,0|2,0,0]=4 13054 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 34a_100000210265_100009817362 [0,2,0,0,0,0|1,0,0]=3 13055 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 7a_100000210265_100000735457 [0,2,0,0,0,0|1,0,0]=3 13056 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 34a_100012022536_100011215978 [0,2,0,0,0,0|1,0,0]=3 13057 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 7a_100012022536_100011215978 [0,2,0,0,0,0|1,0,0]=3 13058 B15R0.193 CCCCCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100011215978 [0,2,0,0,0,0|2,0,0]=4 13059 B15R0.193 CCCCCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100011215978 [0,2,0,0,0,0|2,0,0]=4 13060 B15R0.193 CCCCCCC(C)OCCCNC(=O)C 34a_100000752032_100011215978 [0,2,0,0,0,0|2,0,0]=4 13061 B15R0.193 CCCCCCC(C)OCCCOC(=O)C 34a_100000210265_100000042594 [0,2,0,0,0,0|2,0,0]=4 13062 B15R0.193 CCCCCCC(C)OCCCOC(=O)C 7a_100000210265_100000042594 [0,2,0,0,0,0|2,0,0]=4 13063 B15R0.193 CCCCCCC(C)OCCCSC(=O)C 34a_100000210265_100000038929 [0,2,0,0,0,0|2,0,0]=4 13064 B15R0.193 CCCCCCC(C)OCCCSC(=O)C 7a_100000210265_100000038929 [0,2,0,0,0,0|2,0,0]=4 13065 B15R0.193 CCCCCCC(C)OCCOCC(=O)N 34a_100000210265_100000076697 [0,2,0,0,0,0|2,0,0]=4 13066 B15R0.193 CCCCCCC(C)OCCOCC(=O)N 7a_100000210265_100000076697 [0,2,0,0,0,0|2,0,0]=4 13067 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100000735457_100011215978 [0,2,0,0,0,0|1,0,0]=3 13068 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100011215978_100000735457 [0,2,0,0,0,0|1,0,0]=3 13069 B15R0.193 CCCCCCC(C)SCCCOC(=O)C 62a_100000042594_100011215978 [0,2,0,0,0,0|2,0,0]=4 13070 B15R0.193 CCCCCCC(C)SCCCOC(=O)C 62a_100011215978_100000042594 [0,2,0,0,0,0|2,0,0]=4 13071 B15R0.193 CCCCCCC(C)SCCCSC(=O)C 62a_100000038929_100011215978 [0,2,0,0,0,0|2,0,0]=4 13072 B15R0.193 CCCCCCC(C)SCCCSC(=O)C 62a_100011215978_100000038929 [0,2,0,0,0,0|2,0,0]=4 13073 B15R0.193 CCCCCCC(C)SCCOCC(=O)N 62a_100000076697_100011215978 [0,2,0,0,0,0|2,0,0]=4 13074 B15R0.193 CCCCCCC(C)SCCOCC(=O)N 62a_100011215978_100000076697 [0,2,0,0,0,0|2,0,0]=4 13075 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 2230a_106256046315_100009817443 [0,2,0,0,0,0|1,0,0]=3 13076 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 269982a_106256046315_100009817443 [0,2,0,0,0,0|1,0,0]=3 13077 B15R0.193 CCCCCCN(C)CCCCOC(=O)C 269982a_106256046315_100000033659 [0,2,0,0,0,0|2,0,0]=4 13078 B15R0.193 CCCCCCN(C)CCCCSC(=O)C 2230a_106256046315_200010402107 [0,2,0,0,0,0|2,0,0]=4 13079 B15R0.193 CCCCCCN(C)CCCCSC(=O)C 269982a_106256046315_200010402107 [0,2,0,0,0,0|2,0,0]=4 13080 B15R0.193 CCCCOCC(=O)CCCCCC(=O)N 1458a_100000757543_100009817443 [0,2,0,0,0,0|1,0,1]=4 13081 B15R0.193 CCCCOCC(C)OCCCCC(=O)C 34a_100011217071_100009817362 [0,2,0,0,0,0|2,0,0]=4 13082 B15R0.193 CCCCOCC(C)OCCCCC(=O)C 7a_100011217071_100000735457 [0,2,0,0,0,0|2,0,0]=4 13083 B15R0.193 CCCCSCC(=O)CCCCCC(=O)N 1458a_100000191162_100009817443 [0,2,0,0,0,0|1,0,1]=4 13084 B15R0.193 CN(CCCCCO)CCCCCC(=O)N 2230a_100000722520_100009817443 [0,2,0,0,0,0|2,0,0]=4 13085 B15R0.193 CN(CCCCCO)CCCCCC(=O)N 269982a_100000722520_100009817443 [0,2,0,0,0,0|2,0,0]=4 13086 B15R0.193 NC(=O)CCCCCC(=O)CCCCCO 1458a_100102619762_100009817443 [0,2,0,0,0,0|1,0,1]=4 13087 B15R0.1556 C=CCCCC(=O)C(C)CCCCCCC 1458a_100000766728_200011218727 [0,2,0,0,0,0|1,0,1]=4 13088 B15R0.1556 C=CCCCCCC(=O)C(C)CCCCC 1458a_100011215998_100000700193 [0,2,0,0,0,0|1,0,1]=4 13089 B15R0.1556 C=CCCCCCC(=O)C(C)CCCCC 1458a_100011934241_200011218191 [0,2,0,0,0,0|1,0,1]=4 13090 B15R0.1954 C=CCCCCC(=O)C(C)CCCCCC 1458a_100011215552_100011215978 [0,2,0,0,0,0|1,0,1]=4 13091 B15R0.1954 C=CCCCCC(=O)C(O)CCCCCC 1458a_100011215828_100011215482 [0,2,0,0,0,0|1,0,1]=4 13092 B15R0.1954 C=CCCCCN(C)C(C)CCCCCC 2230a_100012000471_100011215978 [0,2,0,0,0,0|2,0,0]=4 13093 B15R0.1954 C=CCCCCN(C)C(C)CCCCCC 269982a_100012000471_100011215978 [0,2,0,0,0,0|2,0,0]=4 13094 B15R0.1954 C=CCCCCN(C)C(C)CCCCCC 270004a_100012000471_100000210826 [0,2,0,0,0,0|2,0,0]=4 13095 B15R0.2061 C=CCCCCC(=O)CCC(C)CCCC 1458a_100000033779_100011215482 [0,2,0,0,0,0|1,0,1]=4 13096 B15R0.2240 C#CC(CCCCCBr)OCCCCC=O 7a_200010408556_100000139335 [0,2,0,0,0,0|2,0,0]=4 13097 B15R0.2240 C=CC(CCCCCC)OCCCCC=O 7a_200011215977_100000139335 [0,2,0,0,0,0|1,0,0]=3 13098 B15R0.2240 C=CC(CCCCCCC)OCCCC=O 7a_200011934235_200011292268 [0,2,0,0,0,0|1,0,0]=3 13099 B15R0.2240 C=CCCCCN(CC)CCCCCCC 2230a_100000228213_100011215482 [0,2,0,0,0,0|2,0,0]=4 13100 B15R0.2240 C=CCCCCN(CC)CCCCCCC 269982a_100000228213_100011215482 [0,2,0,0,0,0|2,0,0]=4 13101 B15R0.2240 C=CCCCCNC(CC)CCCCCC 270004a_100000703577_100011219640 [0,2,0,0,0,0|2,0,0]=4 13102 B15R0.2240 C=CCCCCOC(C=C)CCCCCC 34a_200011215977_100011215482 [0,2,0,0,0,0|2,0,0]=4 13103 B15R0.2240 C=CCCCCOC(C=C)CCCCCC 7a_200011215977_100011215482 [0,2,0,0,0,0|2,0,0]=4 13104 B15R0.2240 C=CCCCCOC(CC)CCCCCC 34a_100011215785_100011215482 [0,2,0,0,0,0|2,0,0]=4 13105 B15R0.2240 C=CCCCCOC(CC)CCCCCC 7a_100011215785_100011215482 [0,2,0,0,0,0|2,0,0]=4 13106 B15R0.2240 C=CCCCNC(CC)CCCCCCC 270004a_100000700776_200011217162 [0,2,0,0,0,0|2,0,0]=4 13107 B15R0.2240 C=CCCCOC(C=C)CCCCCCC 34a_200011934235_100000757094 [0,2,0,0,0,0|2,0,0]=4 13108 B15R0.2240 C=CCCCOC(C=C)CCCCCCC 7a_200011934235_100000757094 [0,2,0,0,0,0|2,0,0]=4 13109 B15R0.2240 C=CCCCOC(CC)CCCCCCC 34a_200011217053_100000757094 [0,2,0,0,0,0|2,0,0]=4 13110 B15R0.2240 C=CCCCOC(CC)CCCCCCC 7a_200011217053_100000757094 [0,2,0,0,0,0|2,0,0]=4 13111 B15R0.2240 CCCCCCC(CC)OCCCCC=O 7a_100011215785_100000139335 [0,2,0,0,0,0|1,0,0]=3 13112 B15R0.2240 CCCCCCCC(CC)OCCCC=O 7a_200011217053_200011292268 [0,2,0,0,0,0|1,0,0]=3 13113 B15R0.2240 CCCCCCCC(CCCCCC)OC 34a_200011215091_200000210301 [0,2,0,0,0,0|1,0,1]=4 13114 B15R0.2240 CCCCCCCC(CCCCCC)OC 7a_200011215091_200000210301 [0,2,0,0,0,0|1,0,1]=4 13115 B15R0.2240 CCCCCCCC(CCCCCC)O[13CH3] 34a_200011215091_200025704644 [0,2,0,0,0,0|1,0,1]=4 13116 B15R0.2240 CCCCCCCC(CCCCCC)O[13CH3] 7a_200011215091_200025704644 [0,2,0,0,0,0|1,0,1]=4 13117 B15R0.2240 CCCCCCCN(CC)CCCCC=O 2230a_100000228213_100000139335 [0,2,0,0,0,0|1,0,0]=3 13118 B15R0.2240 CCCCCCCN(CC)CCCCC=O 269982a_100000228213_100000139335 [0,2,0,0,0,0|1,0,0]=3 13119 B15R0.4283 C=CCCCCOC(C)(C)CCCCCC 7a_200011995690_100011215482 [0,2,0,0,0,0|2,0,0]=4 13120 B15R0.4283 C=CCCCNC(C)(C)CCCCCCC 34a_100000700776_200000046972 [0,2,0,0,0,0|2,0,0]=4 13121 B15R0.4283 C=CCCCOC(C)(C)CCCCCCC 34a_100000758997_200000046972 [0,2,0,0,0,0|2,0,0]=4 13122 B15R0.4283 C=CCCCOC(C)(C)CCCCCCC 7a_100000758997_200000046972 [0,2,0,0,0,0|2,0,0]=4 13123 B15R0.4283 C=CCCCSC(C)(C)CCCCCCC 62a_100011713584_200000046972 [0,2,0,0,0,0|2,0,0]=4 13124 B15R0.4283 C=CCCCSC(C)(C)CCCCCCC 62a_200000046972_100000757094 [0,2,0,0,0,0|2,0,0]=4 13125 B15R0.4283 CC(C)(CCCCCBr)OCCCCC=O 7a_100010402123_100000139335 [0,2,0,0,0,0|2,0,0]=4 13126 B15R0.4283 CCCCCCC(C)(C)OCCCCC=O 7a_200011995690_100000139335 [0,2,0,0,0,0|1,0,0]=3 13127 B15R0.4283 CCCCCCCC(C)(C)SCCCC=O 62a_200000046972_200011292268 [0,2,0,0,0,0|1,0,0]=3 13128 B15R0.4283 CCCCCCCC(C)(C)SCCCC=O 62a_200011292268_200000046972 [0,2,0,0,0,0|1,0,0]=3 13129 B15R0.234 C=CCCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000757094 [0,2,0,0,0,0|1,0,1]=4 13130 B15R0.234 CC(=O)CCCCOC[C@@H](N)CCCCN 34a_100016993712_100009817362 [0,2,0,0,0,0|2,0,0]=4 13131 B15R0.234 CCCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210326 [0,2,0,0,0,0|1,0,1]=4 13132 B15R0.234 CCCCCC(=O)CCCCCOC(=O)C 1458a_100000212188_100000033007 [0,2,0,0,0,0|1,0,1]=4 13133 B15R0.234 CCCCCC(=O)CNCCCCC(=O)N 34a_100000696515_200012276598 [0,2,0,0,0,0|1,0,1]=4 13134 B15R0.234 CCCCCC(=O)COCCCCC(=O)N 34a_100012022536_200012276598 [0,2,0,0,0,0|1,0,1]=4 13135 B15R0.234 CCCCCC(=O)COCCCCC(=O)N 7a_100012022536_200012276598 [0,2,0,0,0,0|1,0,1]=4 13136 B15R0.234 CCCCCC(=O)CSCCCCC(=O)C 62a_100000735457_200012276598 [0,2,0,0,0,0|1,0,1]=4 13137 B15R0.234 CCCCCC(=O)CSCCCCC(=O)C 62a_200012276598_100000735457 [0,2,0,0,0,0|1,0,1]=4 13138 B15R0.234 CCCCCC(C)NCCCCCC(=O)N 2230a_100000211957_100009817443 [0,2,0,0,0,0|1,0,0]=3 13139 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 2230a_200011368371_200011218191 [0,2,0,0,0,0|2,0,0]=4 13140 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000211708 [0,2,0,0,0,0|2,0,0]=4 13141 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 34a_200011368371_200011218191 [0,2,0,0,0,0|2,0,0]=4 13142 B15R0.234 CCCCCC(C)NCCCCSC(=O)C 2230a_100000211957_200010402107 [0,2,0,0,0,0|2,0,0]=4 13143 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011218191 [0,2,0,0,0,0|1,0,0]=3 13144 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100011215632_100009817443 [0,2,0,0,0,0|1,0,0]=3 13145 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011218191 [0,2,0,0,0,0|1,0,0]=3 13146 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100011215632_100009817443 [0,2,0,0,0,0|1,0,0]=3 13147 B15R0.234 CCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011218191 [0,2,0,0,0,0|1,0,0]=3 13148 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 34a_100000073216_200011218191 [0,2,0,0,0,0|2,0,0]=4 13149 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 34a_100011215632_100000033659 [0,2,0,0,0,0|2,0,0]=4 13150 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 7a_100000073216_200011218191 [0,2,0,0,0,0|2,0,0]=4 13151 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 7a_100011215632_100000033659 [0,2,0,0,0,0|2,0,0]=4 13152 B15R0.234 CCCCCC(C)OCCCCSC(=O)C 34a_100011215632_200010402107 [0,2,0,0,0,0|2,0,0]=4 13153 B15R0.234 CCCCCC(C)OCCCCSC(=O)C 7a_100011215632_200010402107 [0,2,0,0,0,0|2,0,0]=4 13154 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011218191 [0,2,0,0,0,0|1,0,0]=3 13155 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_200011218191_100009817443 [0,2,0,0,0,0|1,0,0]=3 13156 B15R0.234 CCCCCC(C)SCCCCOC(=O)C 62a_100000033659_200011218191 [0,2,0,0,0,0|2,0,0]=4 13157 B15R0.234 CCCCCC(C)SCCCCOC(=O)C 62a_200011218191_100000033659 [0,2,0,0,0,0|2,0,0]=4 13158 B15R0.234 CCCCCC(C)SCCCCSC(=O)C 62a_200010402107_200011218191 [0,2,0,0,0,0|2,0,0]=4 13159 B15R0.234 CCCCCC(C)SCCCCSC(=O)C 62a_200011218191_200010402107 [0,2,0,0,0,0|2,0,0]=4 13160 B15R0.234 CCCCCN(C)CCCCCOC(=O)C 2230a_100000223495_100009813381 [0,2,0,0,0,0|2,0,0]=4 13161 B15R0.234 CCCCCN(C)CCCCCOC(=O)C 269982a_100000223495_100000033007 [0,2,0,0,0,0|2,0,0]=4 13162 B15R0.234 COCCCC(C)OCCCCCC(=O)N 34a_200011539412_100009817443 [0,2,0,0,0,0|2,0,0]=4 13163 B15R0.234 COCCCC(C)OCCCCCC(=O)N 7a_200011539412_100009817443 [0,2,0,0,0,0|2,0,0]=4 13164 B15R0.322 C#CCCCC(=O)CCCCCCCCC 1458a_100000210558_100000731252 [0,2,0,0,0,0|1,0,1]=4 13165 B15R0.322 C#CCCCC(=O)CCCCCCCCC 1458a_100000690238_100000210670 [0,2,0,0,0,0|1,0,1]=4 13166 B15R0.322 C#CCCCCCCCC(=O)CCCCC 1458a_100000087357_100000210326 [0,2,0,0,0,0|1,0,1]=4 13167 B15R0.322 C#CCCCCCCCC(=O)CCCCC 1458a_100000212188_100153394163 [0,2,0,0,0,0|1,0,1]=4 13168 B15R0.322 C#CCCCCCCCN(C)CCCCC 2230a_100000223495_100153394163 [0,2,0,0,0,0|1,0,1]=4 13169 B15R0.322 C#CCCCCCCCN(C)CCCCC 269982a_100000223495_100153394163 [0,2,0,0,0,0|1,0,1]=4 13170 B15R0.322 C#CCCCCCCNC(C)CCCCC 2230a_100000211957_100012276617 [0,2,0,0,0,0|1,0,1]=4 13171 B15R0.322 C#CCCCCCCOC(C)CCCCC 34a_100011215632_100012276617 [0,2,0,0,0,0|1,0,1]=4 13172 B15R0.322 C#CCCCCCCOC(C)CCCCC 34a_100011217361_200011218191 [0,2,0,0,0,0|1,0,1]=4 13173 B15R0.322 C#CCCCCCCOC(C)CCCCC 7a_100011215632_100012276617 [0,2,0,0,0,0|1,0,1]=4 13174 B15R0.322 C#CCCCCCCOC(C)CCCCC 7a_100011217361_200011218191 [0,2,0,0,0,0|1,0,1]=4 13175 B15R0.322 C#CCCCCCCSC(C)CCCCC 62a_100012276617_200011218191 [0,2,0,0,0,0|1,0,1]=4 13176 B15R0.322 C#CCCCCCCSC(C)CCCCC 62a_200011218191_100012276617 [0,2,0,0,0,0|1,0,1]=4 13177 B15R0.322 C#CCCCN(C)CCCCCCCCC 2230a_100000232482_100000731252 [0,2,0,0,0,0|1,0,1]=4 13178 B15R0.322 C#CCCCN(C)CCCCCCCCC 269982a_100000232482_100011215417 [0,2,0,0,0,0|1,0,1]=4 13179 B15R0.322 C#CCCOC(C)CCCCCCCCC 34a_100011218016_100000688953 [0,2,0,0,0,0|1,0,1]=4 13180 B15R0.322 C#CCCOC(C)CCCCCCCCC 7a_100011218016_100000688953 [0,2,0,0,0,0|1,0,1]=4 13181 B15R0.322 C/C=C/COC(C)CCCCCCCCC 34a_100011218016_100102629194 [0,2,0,0,0,0|1,0,1]=4 13182 B15R0.322 C/C=C/COC(C)CCCCCCCCC 7a_100011218016_100102629194 [0,2,0,0,0,0|1,0,1]=4 13183 B15R0.322 C=CCCCC(=O)CCCCCCCCC 1458a_100000210558_100000757094 [0,2,0,0,0,0|1,0,0]=3 13184 B15R0.322 C=CCCCC(=O)CCCCCCCCC 1458a_100000766728_100000210670 [0,2,0,0,0,0|1,0,0]=3 13185 B15R0.322 C=CCCCC(=O)CCCCCCCCO 1458a_100000766728_100000033203 [0,2,0,0,0,0|1,0,1]=4 13186 B15R0.322 C=CCCCC(=O)NCCCCCCCC 11a_100000229939_100000766728 [0,2,0,0,0,0|1,0,1]=4 13187 B15R0.322 C=CCCCC(=O)NCCCCCCCC 1626a_100000229939_100000766728 [0,2,0,0,0,0|1,0,1]=4 13188 B15R0.322 C=CCCCC(=O)NCCCCCCCC 240690a_100000229939_100000766728 [0,2,0,0,0,0|1,0,1]=4 13189 B15R0.322 C=CCCCC(=O)NCCCCCCCC 527a_100000229939_100000766728 [0,2,0,0,0,0|1,0,1]=4 13190 B15R0.322 C=CCCCCCCCC(=O)CCCCC 1458a_100000212188_100012355270 [0,2,0,0,0,0|1,0,0]=3 13191 B15R0.322 C=CCCCCCCCC(=O)CCCCC 1458a_100011216160_100000210326 [0,2,0,0,0,0|1,0,0]=3 13192 B15R0.322 C=CCCCCCCCC(=O)CCCCF 1458a_100011216160_100000729493 [0,2,0,0,0,0|1,0,1]=4 13193 B15R0.322 C=CCCCCCCCC(=O)CCCCO 1458a_100000695505_100012355270 [0,2,0,0,0,0|1,0,1]=4 13194 B15R0.322 C=CCCCCCCCC(=O)CCCCO 1458a_100011216160_100000210776 [0,2,0,0,0,0|1,0,1]=4 13195 B15R0.322 C=CCCCCCCCC(=O)CCCOC 1458a_100000741012_100012355270 [0,2,0,0,0,0|1,0,1]=4 13196 B15R0.322 C=CCCCCCCCC(=O)CCCOC 1458a_100011216160_100000740836 [0,2,0,0,0,0|1,0,1]=4 13197 B15R0.322 C=CCCCCCCCC(=O)CCCSC 1458a_100000173376_100012355270 [0,2,0,0,0,0|1,0,1]=4 13198 B15R0.322 C=CCCCCCCCC(=O)CCOCC 1458a_100000749530_100012355270 [0,2,0,0,0,0|1,0,1]=4 13199 B15R0.322 C=CCCCCCCCC(=O)CCOCC 1458a_100011216160_100011215890 [0,2,0,0,0,0|1,0,1]=4 13200 B15R0.322 C=CCCCCCCCC(=O)CCSCC 1458a_100000230768_100012355270 [0,2,0,0,0,0|1,0,1]=4 13201 B15R0.322 C=CCCCCCCCC(=O)CCSCC 1458a_100011216160_100000757381 [0,2,0,0,0,0|1,0,1]=4 13202 B15R0.322 C=CCCCCCCCC(=O)COCCC 1458a_100000745993_100012355270 [0,2,0,0,0,0|1,0,1]=4 13203 B15R0.322 C=CCCCCCCCC(=O)CSCCC 1458a_100000217233_100012355270 [0,2,0,0,0,0|1,0,1]=4 13204 B15R0.322 C=CCCCCCCCC(=O)NCCCC 11a_100000102301_100011216160 [0,2,0,0,0,0|1,0,1]=4 13205 B15R0.322 C=CCCCCCCCC(=O)NCCCC 1626a_100000102301_100011216160 [0,2,0,0,0,0|1,0,1]=4 13206 B15R0.322 C=CCCCCCCCC(=O)NCCCC 240690a_100000102301_100011216160 [0,2,0,0,0,0|1,0,1]=4 13207 B15R0.322 C=CCCCCCCCC(=O)NCCCC 527a_100000102301_100011216160 [0,2,0,0,0,0|1,0,1]=4 13208 B15R0.322 C=CCCCCCCCN(C)CCCCC 2230a_100000223495_100012355270 [0,2,0,0,0,0|1,0,0]=3 13209 B15R0.322 C=CCCCCCCCN(C)CCCCC 269982a_100000223495_100012355270 [0,2,0,0,0,0|1,0,0]=3 13210 B15R0.322 C=CCCCCCCCN(C)CCCCO 2230a_100000717598_100012355270 [0,2,0,0,0,0|2,0,0]=4 13211 B15R0.322 C=CCCCCCCCN(C)CCCCO 269982a_100000717598_100012355270 [0,2,0,0,0,0|2,0,0]=4 13212 B15R0.322 C=CCCCCCCCN(C)CCCOC 2230a_100000224831_100012355270 [0,2,0,0,0,0|2,0,0]=4 13213 B15R0.322 C=CCCCCCCCN(C)CCCOC 269982a_100000224831_100012355270 [0,2,0,0,0,0|2,0,0]=4 13214 B15R0.322 C=CCCCCCCNC(C)CCCCC 2230a_100000211957_100011215473 [0,2,0,0,0,0|1,0,0]=3 13215 B15R0.322 C=CCCCCCCOC(C)CCCCC 34a_100011215632_100011215473 [0,2,0,0,0,0|1,0,0]=3 13216 B15R0.322 C=CCCCCCCOC(C)CCCCC 34a_200011216477_200011218191 [0,2,0,0,0,0|1,0,0]=3 13217 B15R0.322 C=CCCCCCCOC(C)CCCCC 7a_100011215632_100011215473 [0,2,0,0,0,0|1,0,0]=3 13218 B15R0.322 C=CCCCCCCOC(C)CCCCC 7a_200011216477_200011218191 [0,2,0,0,0,0|1,0,0]=3 13219 B15R0.322 C=CCCCCCCOC(C)CCCOC 34a_200011539412_100011215473 [0,2,0,0,0,0|2,0,0]=4 13220 B15R0.322 C=CCCCCCCOC(C)CCCOC 7a_200011539412_100011215473 [0,2,0,0,0,0|2,0,0]=4 13221 B15R0.322 C=CCCCCCCSC(C)CCCCC 62a_100011215473_200011218191 [0,2,0,0,0,0|1,0,0]=3 13222 B15R0.322 C=CCCCCCCSC(C)CCCCC 62a_200011218191_100011215473 [0,2,0,0,0,0|1,0,0]=3 13223 B15R0.322 C=CCCCCCOCC(=O)CCCCC 34a_100011216702_200012276598 [0,2,0,0,0,0|1,0,1]=4 13224 B15R0.322 C=CCCCCCOCC(=O)CCCCC 7a_100011216702_200012276598 [0,2,0,0,0,0|1,0,1]=4 13225 B15R0.322 C=CCCCCCOC[C@@H](N)CCCCN 34a_100016993712_100000700193 [0,2,0,0,0,0|2,0,0]=4 13226 B15R0.322 C=CCCCCCSCC(=O)CCCCC 62a_100000700193_200012276598 [0,2,0,0,0,0|1,0,1]=4 13227 B15R0.322 C=CCCCCCSCC(=O)CCCCC 62a_200012276598_100000700193 [0,2,0,0,0,0|1,0,1]=4 13228 B15R0.322 C=CCCCN(C)CCCCCCCCC 2230a_100000232482_100011713584 [0,2,0,0,0,0|1,0,0]=3 13229 B15R0.322 C=CCCCN(C)CCCCCCCCC 269982a_100000232482_100000757094 [0,2,0,0,0,0|1,0,0]=3 13230 B15R0.322 C=CCCNC(=O)CCCCCCCCC 11a_100015191253_100000210558 [0,2,0,0,0,0|1,0,1]=4 13231 B15R0.322 C=CCCNC(=O)CCCCCCCCC 1626a_100015191253_100000210558 [0,2,0,0,0,0|1,0,1]=4 13232 B15R0.322 C=CCCNC(=O)CCCCCCCCC 240690a_100015191253_100000210558 [0,2,0,0,0,0|1,0,1]=4 13233 B15R0.322 C=CCCNC(=O)CCCCCCCCC 527a_100015191253_100000210558 [0,2,0,0,0,0|1,0,1]=4 13234 B15R0.322 C=CCCNC(C)CCCCCCCCC 270004a_100015191253_100011215753 [0,2,0,0,0,0|1,0,0]=3 13235 B15R0.322 C=CCCOC(C)CCCCCCCCC 34a_100011218016_100000754431 [0,2,0,0,0,0|1,0,0]=3 13236 B15R0.322 C=CCCOC(C)CCCCCCCCC 7a_100011218016_100000754431 [0,2,0,0,0,0|1,0,0]=3 13237 B15R0.322 C=CCNCC(C)CCCCCCCCC 270004a_100020586998_200011218516 [0,2,0,0,0,0|1,0,0]=3 13238 B15R0.322 C=CCSCC(=O)CCCCCCCCC 1458a_100000230395_100000210670 [0,2,0,0,0,0|1,0,1]=4 13239 B15R0.322 C=COCCC(=O)CCCCCCCCC 1458a_100000210558_100000039644 [0,2,0,0,0,0|1,0,1]=4 13240 B15R0.322 C=COCCN(C)CCCCCCCCC 2230a_100000232482_100000039644 [0,2,0,0,0,0|2,0,0]=4 13241 B15R0.322 C=COCCN(C)CCCCCCCCC 269982a_100000232482_100000039644 [0,2,0,0,0,0|2,0,0]=4 13242 B15R0.322 CC=CCOC(C)CCCCCCCCC 34a_100011218016_100000070051 [0,2,0,0,0,0|1,0,1]=4 13243 B15R0.322 CC=CCOC(C)CCCCCCCCC 7a_100011218016_100000070051 [0,2,0,0,0,0|1,0,1]=4 13244 B15R0.322 CCCCCC(=O)CCCCCCCCO 1458a_100000212188_100000033203 [0,2,0,0,0,0|0,0,2]=4 13245 B15R0.322 CCCCCC(=O)CSCCCCCC=O 62a_100000139337_200012276598 [0,2,0,0,0,0|0,0,1]=3 13246 B15R0.322 CCCCCC(=O)CSCCCCCC=O 62a_200012276598_100000139337 [0,2,0,0,0,0|0,0,1]=3 13247 B15R0.322 CCCCCC(C)NCCCCCCC#N 2230a_100000211957_100009813337 [0,2,0,0,0,0|1,0,1]=4 13248 B15R0.322 CCCCCC(C)NCCCCCCCO 2230a_100000211957_100000760002 [0,2,0,0,0,0|0,0,2]=4 13249 B15R0.322 CCCCCC(C)NCCCCCCCO 2230a_100011996573_200011218191 [0,2,0,0,0,0|0,0,2]=4 13250 B15R0.322 CCCCCC(C)NCCCCCCCO 270004a_100011996573_100000211708 [0,2,0,0,0,0|0,0,2]=4 13251 B15R0.322 CCCCCC(C)NCCCCCCCO 34a_100011996573_200011218191 [0,2,0,0,0,0|0,0,2]=4 13252 B15R0.322 CCCCCC(C)NCCCCCCOC 2230a_100000211957_100011998445 [0,2,0,0,0,0|2,0,0]=4 13253 B15R0.322 CCCCCC(C)OCCCCCCC#N 7a_100011215632_100009813337 [0,2,0,0,0,0|1,0,1]=4 13254 B15R0.322 CCCCCC(C)OCCCCCCCBr 34a_100000760002_200011218191 [0,2,0,0,0,0|1,0,1]=4 13255 B15R0.322 CCCCCC(C)OCCCCCCCBr 7a_100000760002_200011218191 [0,2,0,0,0,0|1,0,1]=4 13256 B15R0.322 CCCCCC(C)OCCCCCCCN 34a_100011996573_200011218191 [0,2,0,0,0,0|1,0,1]=4 13257 B15R0.322 CCCCCC(C)OCCCCCCCO 34a_100011215632_100000760002 [0,2,0,0,0,0|0,0,2]=4 13258 B15R0.322 CCCCCC(C)OCCCCCCCO 7a_100011215632_100000760002 [0,2,0,0,0,0|0,0,2]=4 13259 B15R0.322 CCCCCC(C)OCCCCCCOC 34a_100011215632_100011998445 [0,2,0,0,0,0|2,0,0]=4 13260 B15R0.322 CCCCCC(C)OCCCCCCOC 34a_200012092642_200011218191 [0,2,0,0,0,0|2,0,0]=4 13261 B15R0.322 CCCCCC(C)OCCCCCCOC 7a_100011215632_100011998445 [0,2,0,0,0,0|2,0,0]=4 13262 B15R0.322 CCCCCC(C)OCCCCCCOC 7a_200012092642_200011218191 [0,2,0,0,0,0|2,0,0]=4 13263 B15R0.322 CCCCCC(C)SCCCCCCC#N 62a_100009813337_200011218191 [0,2,0,0,0,0|1,0,1]=4 13264 B15R0.322 CCCCCC(C)SCCCCCCC#N 62a_200011218191_100009813337 [0,2,0,0,0,0|1,0,1]=4 13265 B15R0.322 CCCCCC(C)SCCCCCCCO 62a_100000760002_200011218191 [0,2,0,0,0,0|0,0,2]=4 13266 B15R0.322 CCCCCC(C)SCCCCCCCO 62a_200011218191_100000760002 [0,2,0,0,0,0|0,0,2]=4 13267 B15R0.322 CCCCCC(C)SCCCCCCOC 62a_100011998445_200011218191 [0,2,0,0,0,0|2,0,0]=4 13268 B15R0.322 CCCCCC(C)SCCCCCCOC 62a_200011218191_100011998445 [0,2,0,0,0,0|2,0,0]=4 13269 B15R0.322 CCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100000210670 [0,2,0,0,0,0|1,0,1]=4 13270 B15R0.322 CCCCCCCCCC(=O)CCCC#N 1458a_100000210558_100000211468 [0,2,0,0,0,0|1,0,1]=4 13271 B15R0.322 CCCCCCCCCC(=O)CCCCC 1458a_100000210558_100000210326 [0,2,0,0,0,0|1,0,1]=4 13272 B15R0.322 CCCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210670 [0,2,0,0,0,0|1,0,1]=4 13273 B15R0.322 CCCCCCCCCC(=O)CCCCF 1458a_100000210558_100000729493 [0,2,0,0,0,0|1,0,1]=4 13274 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000210558_100000210776 [0,2,0,0,0,0|0,0,2]=4 13275 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210670 [0,2,0,0,0,0|0,0,2]=4 13276 B15R0.322 CCCCCCCCCC(=O)CCCOC 1458a_100000210558_100000740836 [0,2,0,0,0,0|2,0,0]=4 13277 B15R0.322 CCCCCCCCCC(=O)CCCOC 1458a_100000741012_100000210670 [0,2,0,0,0,0|2,0,0]=4 13278 B15R0.322 CCCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210670 [0,2,0,0,0,0|2,0,0]=4 13279 B15R0.322 CCCCCCCCCC(C)CNCCC 270004a_100020643023_200011218516 [0,2,0,0,0,0|1,0,1]=4 13280 B15R0.322 CCCCCCCCCC(C)CNCCO 270004a_100000210304_200011218516 [0,2,0,0,0,0|0,0,2]=4 13281 B15R0.322 CCCCCCCCCC(C)NCCC#N 270004a_100000720768_100011215753 [0,2,0,0,0,0|1,0,1]=4 13282 B15R0.322 CCCCCCCCCC(C)NCCCC 270004a_100000102301_100011215753 [0,2,0,0,0,0|1,0,1]=4 13283 B15R0.322 CCCCCCCCCC(C)NCCCF 270004a_100015189416_100011215753 [0,2,0,0,0,0|1,0,1]=4 13284 B15R0.322 CCCCCCCCCC(C)NCCCO 270004a_100000182051_100011215753 [0,2,0,0,0,0|0,0,2]=4 13285 B15R0.322 CCCCCCCCCC(C)NCCOC 270004a_100000209980_100011215753 [0,2,0,0,0,0|2,0,0]=4 13286 B15R0.322 CCCCCCCCCC(C)NCCSC 270004a_100020590264_100011215753 [0,2,0,0,0,0|2,0,0]=4 13287 B15R0.322 CCCCCCCCCC(C)OCCC#N 7a_100011218016_100000184422 [0,2,0,0,0,0|1,0,1]=4 13288 B15R0.322 CCCCCCCCCC(C)OCCCC 34a_100011218016_100000210210 [0,2,0,0,0,0|1,0,1]=4 13289 B15R0.322 CCCCCCCCCC(C)OCCCC 7a_100011218016_100000210211 [0,2,0,0,0,0|1,0,1]=4 13290 B15R0.322 CCCCCCCCCC(C)OCCCF 34a_100011218016_100011934791 [0,2,0,0,0,0|1,0,1]=4 13291 B15R0.322 CCCCCCCCCC(C)OCCCF 7a_100011218016_100011934791 [0,2,0,0,0,0|1,0,1]=4 13292 B15R0.322 CCCCCCCCCC(C)OCCCO 34a_100011218016_100000230001 [0,2,0,0,0,0|0,0,2]=4 13293 B15R0.322 CCCCCCCCCC(C)OCCCO 7a_100011218016_100011215043 [0,2,0,0,0,0|0,0,2]=4 13294 B15R0.322 CCCCCCCCCC(C)OCCOC 34a_100011218016_100011201679 [0,2,0,0,0,0|2,0,0]=4 13295 B15R0.322 CCCCCCCCCC(C)OCCOC 7a_100011218016_100000233755 [0,2,0,0,0,0|2,0,0]=4 13296 B15R0.322 CCCCCCCCCC(C)OCCSC 34a_100011218016_100000212216 [0,2,0,0,0,0|2,0,0]=4 13297 B15R0.322 CCCCCCCCCC(C)OCCSC 7a_100011218016_100000212216 [0,2,0,0,0,0|2,0,0]=4 13298 B15R0.322 CCCCCCCCCN(C)CCCC#N 2230a_100000232482_100000687738 [0,2,0,0,0,0|1,0,1]=4 13299 B15R0.322 CCCCCCCCCN(C)CCCC#N 269982a_100000232482_100000687738 [0,2,0,0,0,0|1,0,1]=4 13300 B15R0.322 CCCCCCCCCN(C)CCCC=O 2230a_100000232482_200011292268 [0,2,0,0,0,0|0,0,0]=2 13301 B15R0.322 CCCCCCCCCN(C)CCCC=O 269982a_100000232482_200011292268 [0,2,0,0,0,0|0,0,0]=2 13302 B15R0.322 CCCCCCCCCN(C)CCCCC 2230a_100000223495_100011214924 [0,2,0,0,0,0|1,0,1]=4 13303 B15R0.322 CCCCCCCCCN(C)CCCCC 2230a_100000232482_100000210326 [0,2,0,0,0,0|1,0,1]=4 13304 B15R0.322 CCCCCCCCCN(C)CCCCC 269982a_100000223495_100000210670 [0,2,0,0,0,0|1,0,1]=4 13305 B15R0.322 CCCCCCCCCN(C)CCCCC 269982a_100000232482_100000210215 [0,2,0,0,0,0|1,0,1]=4 13306 B15R0.322 CCCCCCCCCN(C)CCCCF 2230a_100000232482_100000729493 [0,2,0,0,0,0|1,0,1]=4 13307 B15R0.322 CCCCCCCCCN(C)CCCCF 269982a_100000232482_100000729493 [0,2,0,0,0,0|1,0,1]=4 13308 B15R0.322 CCCCCCCCCN(C)CCCCO 2230a_100000232482_100000210776 [0,2,0,0,0,0|0,0,2]=4 13309 B15R0.322 CCCCCCCCCN(C)CCCCO 2230a_100000717598_100011214924 [0,2,0,0,0,0|0,0,2]=4 13310 B15R0.322 CCCCCCCCCN(C)CCCCO 269982a_100000232482_100000210776 [0,2,0,0,0,0|0,0,2]=4 13311 B15R0.322 CCCCCCCCCN(C)CCCCO 269982a_100000717598_100000210670 [0,2,0,0,0,0|0,0,2]=4 13312 B15R0.322 CCCCCCCCCN(C)CCCOC 2230a_100000224831_100011214924 [0,2,0,0,0,0|2,0,0]=4 13313 B15R0.322 CCCCCCCCCN(C)CCCOC 2230a_100000232482_100000740836 [0,2,0,0,0,0|2,0,0]=4 13314 B15R0.322 CCCCCCCCCN(C)CCCOC 269982a_100000224831_100000210670 [0,2,0,0,0,0|2,0,0]=4 13315 B15R0.322 CCCCCCCCCN(C)CCCOC 269982a_100000232482_100000740836 [0,2,0,0,0,0|2,0,0]=4 13316 B15R0.322 CCCCCCCCNC(C)CCCC#N 270004a_100000229939_200000032708 [0,2,0,0,0,0|1,0,1]=4 13317 B15R0.322 CCCCCCCCNC(C)CCCCC 2230a_100000211957_100000210759 [0,2,0,0,0,0|1,0,1]=4 13318 B15R0.322 CCCCCCCCNC(C)CCCCC 2230a_100000229939_200011218191 [0,2,0,0,0,0|1,0,1]=4 13319 B15R0.322 CCCCCCCCNC(C)CCCCC 270004a_100000229939_100000211708 [0,2,0,0,0,0|1,0,1]=4 13320 B15R0.322 CCCCCCCCNC(C)CCCCC 34a_100000229939_200011218191 [0,2,0,0,0,0|1,0,1]=4 13321 B15R0.322 CCCCCCCCNC(C)CCCSC 270004a_100000229939_100011399439 [0,2,0,0,0,0|2,0,0]=4 13322 B15R0.322 CCCCCCCCOC(C)CCCCC 34a_100000210232_200011218191 [0,2,0,0,0,0|1,0,1]=4 13323 B15R0.322 CCCCCCCCOC(C)CCCCC 34a_100011215632_100000210759 [0,2,0,0,0,0|1,0,1]=4 13324 B15R0.322 CCCCCCCCOC(C)CCCCC 7a_100000210232_200011218191 [0,2,0,0,0,0|1,0,1]=4 13325 B15R0.322 CCCCCCCCOC(C)CCCCC 7a_100011215632_100000210759 [0,2,0,0,0,0|1,0,1]=4 13326 B15R0.322 CCCCCCCCOC(C)CCCOC 34a_200011539412_100000210759 [0,2,0,0,0,0|2,0,0]=4 13327 B15R0.322 CCCCCCCCOC(C)CCCOC 7a_200011539412_100000210759 [0,2,0,0,0,0|2,0,0]=4 13328 B15R0.322 CCCCCCCOC[C@@H](N)CCCCN 34a_100016993712_100000210614 [0,2,0,0,0,0|1,0,1]=4 13329 B15R0.322 CCCCCN(C)CCCCCCCCO 2230a_100000223495_100000033203 [0,2,0,0,0,0|0,0,2]=4 13330 B15R0.322 CCCCCN(C)CCCCCCCCO 269982a_100000223495_100000033203 [0,2,0,0,0,0|0,0,2]=4 13331 B15R0.322 CCCCNC(=O)CSCCCCCC=O 62a_100000139337_100000182744 [0,2,0,0,0,0|1,0,1]=4 13332 B15R0.322 CCCCNC(=O)CSCCCCCC=O 62a_100000182744_100000139337 [0,2,0,0,0,0|1,0,1]=4 13333 B15R0.322 CCCCOC(=O)CSCCCCCC=O 62a_100000139337_100000211628 [0,2,0,0,0,0|1,0,1]=4 13334 B15R0.322 CCCCOC(=O)CSCCCCCC=O 62a_100000211628_100000139337 [0,2,0,0,0,0|1,0,1]=4 13335 B15R0.367 C=C(C)CCOC(C)CCCCCCCC 34a_100000210740_100000730704 [0,2,0,0,0,0|2,0,0]=4 13336 B15R0.367 C=C(C)CCOC(C)CCCCCCCC 7a_100000210740_100000730704 [0,2,0,0,0,0|2,0,0]=4 13337 B15R0.367 C=C(C)COCC(C)CCCCCCCC 34a_200012125181_100000748629 [0,2,0,0,0,0|2,0,0]=4 13338 B15R0.367 C=C(C)COCC(C)CCCCCCCC 7a_200012125181_100000748629 [0,2,0,0,0,0|2,0,0]=4 13339 B15R0.367 C=C(F)COCC(C)CCCCCCCC 34a_200012125181_100009893438 [0,2,0,0,0,0|2,0,0]=4 13340 B15R0.367 C=C(F)COCC(C)CCCCCCCC 7a_200012125181_100000042424 [0,2,0,0,0,0|2,0,0]=4 13341 B15R0.367 C=CCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100011215473 [0,2,0,0,0,0|1,0,1]=4 13342 B15R0.367 C=CCCCCCCC(=O)CCCC(C)C 1458a_100011809334_100011214892 [0,2,0,0,0,0|1,0,1]=4 13343 B15R0.367 C=CCCCCCCC(=O)CCCC(C)O 1458a_100011809334_200000718107 [0,2,0,0,0,0|1,0,1]=4 13344 B15R0.367 C=CCCCCCNC(C)CCCC(C)C 2230a_100000210607_100000700193 [0,2,0,0,0,0|2,0,0]=4 13345 B15R0.367 C=CCCCCCOC(C)CCCC(C)C 34a_200011218570_100000700193 [0,2,0,0,0,0|2,0,0]=4 13346 B15R0.367 C=CCCCCCOC(C)CCCC(C)C 7a_200011218570_100000700193 [0,2,0,0,0,0|2,0,0]=4 13347 B15R0.367 C=CCCCNCCC(C)CCCC(C)C 2230a_100000700776_100009816328 [0,2,0,0,0,0|2,0,0]=4 13348 B15R0.367 C=CCCCNCCC(C)CCCC(C)C 2230a_102516457229_100011713584 [0,2,0,0,0,0|2,0,0]=4 13349 B15R0.367 C=CCCCNCCC(C)CCCC(C)C 34a_100000700776_100009816328 [0,2,0,0,0,0|2,0,0]=4 13350 B15R0.367 C=CCCCOCCC(C)CCCC(C)C 34a_100000015991_100000757094 [0,2,0,0,0,0|2,0,0]=4 13351 B15R0.367 C=CCCCOCCC(C)CCCC(C)C 34a_100000758997_100009816328 [0,2,0,0,0,0|2,0,0]=4 13352 B15R0.367 C=CCCCOCCC(C)CCCC(C)C 7a_100000015991_100000757094 [0,2,0,0,0,0|2,0,0]=4 13353 B15R0.367 C=CCCCOCCC(C)CCCC(C)C 7a_100000758997_100009816328 [0,2,0,0,0,0|2,0,0]=4 13354 B15R0.367 C=CCCCSCCC(C)CCCC(C)C 62a_100009816328_100000757094 [0,2,0,0,0,0|2,0,0]=4 13355 B15R0.367 C=CCCCSCCC(C)CCCC(C)C 62a_100011713584_100009816328 [0,2,0,0,0,0|2,0,0]=4 13356 B15R0.367 CC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100011215641 [0,2,0,0,0,0|1,0,1]=4 13357 B15R0.367 CC(C)CCCC(C)CCNCCCC=O 2230a_102516457229_200011292268 [0,2,0,0,0,0|1,0,0]=3 13358 B15R0.367 CC(C)CCCC(C)CCOCCCC=O 7a_100000015991_200011292268 [0,2,0,0,0,0|1,0,0]=3 13359 B15R0.367 CC(C)CCCC(C)CCSCCCC=O 62a_100009816328_200011292268 [0,2,0,0,0,0|1,0,0]=3 13360 B15R0.367 CC(C)CCCC(C)CCSCCCC=O 62a_200011292268_100009816328 [0,2,0,0,0,0|1,0,0]=3 13361 B15R0.367 CC(C)CCCC(C)NCCCCCC=O 2230a_100000210607_100000139337 [0,2,0,0,0,0|1,0,0]=3 13362 B15R0.367 CC(C)CCCC(C)OCCCCCC=O 7a_200011218570_100000139337 [0,2,0,0,0,0|1,0,0]=3 13363 B15R0.367 CC(CCCC(=O)[O-])OCCCCCCF 7a_100000761597_100015922095 [0,2,0,0,0,0|2,0,0]=4 13364 B15R0.367 CC(CCCC(=O)[O-])OCCCCCCO 7a_100000761597_100000766143 [0,2,0,0,0,0|2,0,0]=4 13365 B15R0.367 CCCCCCCCC(=O)CCCC(=O)C 1458a_100000210188_100011215641 [0,2,0,0,0,0|0,0,1]=3 13366 B15R0.367 CCCCCCCCC(=O)CCCC(=O)N 1458a_100000210188_100102525003 [0,2,0,0,0,0|0,0,1]=3 13367 B15R0.367 CCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210759 [0,2,0,0,0,0|1,0,1]=4 13368 B15R0.367 CCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210759 [0,2,0,0,0,0|1,0,1]=4 13369 B15R0.367 CCCCCCCCC(=O)CCNC(=O)C 1458a_100000210188_100000189650 [0,2,0,0,0,0|1,0,1]=4 13370 B15R0.367 CCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210759 [0,2,0,0,0,0|1,0,1]=4 13371 B15R0.367 CCCCCCCCC(=O)CCNC(=O)N 1458a_100000210188_200000034859 [0,2,0,0,0,0|1,0,1]=4 13372 B15R0.367 CCCCCCCCC(=O)CCOC(=O)C 1458a_100000210188_100009814007 [0,2,0,0,0,0|1,0,1]=4 13373 B15R0.367 CCCCCCCCC(=O)CCOC(=O)N 1458a_100000210188_200011214921 [0,2,0,0,0,0|1,0,1]=4 13374 B15R0.367 CCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210759 [0,2,0,0,0,0|1,0,1]=4 13375 B15R0.367 CCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210759 [0,2,0,0,0,0|1,0,1]=4 13376 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210188 [0,2,0,0,0,0|1,0,1]=4 13377 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210188 [0,2,0,0,0,0|1,0,1]=4 13378 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000210188 [0,2,0,0,0,0|1,0,1]=4 13379 B15R0.367 CCCCCCCCC(C)COCC(=O)N 34a_200012125181_100000187820 [0,2,0,0,0,0|1,0,0]=3 13380 B15R0.367 CCCCCCCCC(C)COCC(=O)N 7a_200012125181_100000187820 [0,2,0,0,0,0|1,0,0]=3 13381 B15R0.367 CCCCCCCCC(C)COCC(=O)[O-] 34a_200012125181_100020667443 [0,2,0,0,0,0|1,0,0]=3 13382 B15R0.367 CCCCCCCCC(C)COC[N+](=O)[O-] 34a_200012125181_100000761209 [0,2,0,0,0,0|2,0,0]=4 13383 B15R0.367 CCCCCCCCC(C)OCCC(=O)C 7a_100000210740_100000053229 [0,2,0,0,0,0|1,0,0]=3 13384 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 34a_100000210740_100000731001 [0,2,0,0,0,0|1,0,0]=3 13385 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 7a_100000210740_100000744528 [0,2,0,0,0,0|1,0,0]=3 13386 B15R0.367 CCCCCCCCC(C)OCOC(=O)C 34a_100000210740_100009813279 [0,2,0,0,0,0|2,0,0]=4 13387 B15R0.367 CCCCCCCCN(C)CCCC(=O)C 269982a_100000207567_100011215641 [0,2,0,0,0,0|1,0,0]=3 13388 B15R0.367 CCCCCCCCN(C)CCCC(=O)N 269982a_100000207567_100102525003 [0,2,0,0,0,0|1,0,0]=3 13389 B15R0.367 CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210759 [0,2,0,0,0,0|1,0,0]=3 13390 B15R0.367 CCCCCCCCN(C)CCNC(=O)C 2230a_100000207567_100000189650 [0,2,0,0,0,0|2,0,0]=4 13391 B15R0.367 CCCCCCCCN(C)CCNC(=O)C 269982a_100000207567_100000189650 [0,2,0,0,0,0|2,0,0]=4 13392 B15R0.367 CCCCCCCCN(C)CCNC(=O)N 2230a_100000207567_200000034859 [0,2,0,0,0,0|2,0,0]=4 13393 B15R0.367 CCCCCCCCN(C)CCNC(=O)N 269982a_100000207567_200000034859 [0,2,0,0,0,0|2,0,0]=4 13394 B15R0.367 CCCCCCCCN(C)CCOC(=O)C 269982a_100000207567_100009814007 [0,2,0,0,0,0|2,0,0]=4 13395 B15R0.367 CCCCCCCCN(C)CCOC(=O)N 269982a_100000207567_200011214921 [0,2,0,0,0,0|2,0,0]=4 13396 B15R0.367 CCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210614 [0,2,0,0,0,0|1,0,0]=3 13397 B15R0.367 CCCCOCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000743108 [0,2,0,0,0,0|2,0,0]=4 13398 B15R0.367 CN(CCCCCCCO)CCCC(=O)O 269956a_100000719178_100000760002 [0,2,0,0,0,0|2,0,0]=4 13399 B15R0.367 COCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011998445 [0,2,0,0,0,0|2,0,0]=4 13400 B15R0.367 NC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100102525003 [0,2,0,0,0,0|1,0,1]=4 13401 B15R0.370 C=CCCCCCCC(=O)CC(C)CCC 1458a_100000748435_100011215473 [0,2,0,0,0,0|1,0,1]=4 13402 B15R0.370 C=CCCCCCCC(=O)CC(C)CCC 1458a_100011809334_100011216630 [0,2,0,0,0,0|1,0,1]=4 13403 B15R0.370 C=CCN(C)CC(C)CCCCCCCC 270004a_100000225617_100011995885 [0,2,0,0,0,0|2,0,0]=4 13404 B15R0.2207 C=CCCCC(=O)CCC(C)CCCCC 1458a_100000034243_100000757094 [0,2,0,0,0,0|1,0,1]=4 13405 B15R0.2405 C=CC(O)COC(C)CCCCCCCC 34a_100000210740_100000730141 [0,2,0,0,0,0|2,0,0]=4 13406 B15R0.2405 C=CC(O)COC(C)CCCCCCCC 7a_100000210740_100000730141 [0,2,0,0,0,0|2,0,0]=4 13407 B15R0.2405 C=CCCCCCCC(=O)CCC(C)CC 1458a_100000701222_100011215473 [0,2,0,0,0,0|1,0,1]=4 13408 B15R0.2405 C=CCCCCCOC(C)CCC(C)CC 7a_200011216552_100000700193 [0,2,0,0,0,0|2,0,0]=4 13409 B15R0.2405 CCC(C)CCC(C)OCCCCCC=O 7a_200011216552_100000139337 [0,2,0,0,0,0|1,0,0]=3 13410 B15R0.2406 C=CCCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000754431 [0,2,0,0,0,0|1,0,1]=4 13411 B15R0.2406 C=CCCC(C)N(C)CCCCCCCC 270004a_100000207567_100000762624 [0,2,0,0,0,0|2,0,0]=4 13412 B15R0.2406 C=CCCCCCCC(=O)C(C)CCCC 1458a_100000725509_100011215473 [0,2,0,0,0,0|1,0,1]=4 13413 B15R0.2406 C=CCCCCCCC(=O)C(C)CCCC 1458a_100011809334_200011215066 [0,2,0,0,0,0|1,0,1]=4 13414 B15R0.2406 C=CCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100011215473 [0,2,0,0,0,0|1,0,1]=4 13415 B15R0.2406 C=CCCN(C)C(C)CCCCCCCC 270004a_100020639649_100011216694 [0,2,0,0,0,0|2,0,0]=4 13416 B15R0.3225 C#CC(CCCCC)OCCCCCC=C 34a_100011216489_100000700193 [0,2,0,0,0,0|2,0,0]=4 13417 B15R0.3225 C#CC(CCCCC)OCCCCCC=C 7a_100011216489_100000700193 [0,2,0,0,0,0|2,0,0]=4 13418 B15R0.3225 C#CC(CCCCC)OCCCCCC=O 7a_100011216489_100000139337 [0,2,0,0,0,0|1,0,0]=3 13419 B15R0.3225 C=CC(CCCCC)OCCCCCC=O 7a_100011216863_100000139337 [0,2,0,0,0,0|1,0,0]=3 13420 B15R0.3225 C=CCCCCCOC(C=C)CCCCC 34a_100011216863_100000700193 [0,2,0,0,0,0|2,0,0]=4 13421 B15R0.3225 C=CCCCCCOC(C=C)CCCCC 7a_100011216863_100000700193 [0,2,0,0,0,0|2,0,0]=4 13422 B15R0.3225 C=CCCCCCOC(CC)CCCCC 34a_100011215405_100000700193 [0,2,0,0,0,0|2,0,0]=4 13423 B15R0.3225 C=CCCCCCOC(CC)CCCCC 7a_100011215405_100000700193 [0,2,0,0,0,0|2,0,0]=4 13424 B15R0.3225 C=CCCNC(CC)CCCCCCCC 270004a_100015191253_200011217995 [0,2,0,0,0,0|2,0,0]=4 13425 B15R0.3225 C=CCCOC(CC)CCCCCCCC 34a_200011216270_100000754431 [0,2,0,0,0,0|2,0,0]=4 13426 B15R0.3225 C=CCCOC(CC)CCCCCCCC 7a_200011216270_100000754431 [0,2,0,0,0,0|2,0,0]=4 13427 B15R0.3225 CCCCCC(CC)OCCCCCC=O 7a_100011215405_100000139337 [0,2,0,0,0,0|1,0,0]=3 13428 B15R0.81 C#CC(=O)CCCCCCC#CCCCC 1458a_100000211873_200000043322 [0,2,0,0,0,0|0,0,2]=4 13429 B15R0.81 C#CC(=O)CCCCCCCCCCC=C 1458a_100000211873_100011093070 [0,2,0,0,0,0|0,0,2]=4 13430 B15R0.81 C#CC(=O)CCCCCCCCCCCC 1458a_100000211873_100000759014 [0,2,0,0,0,0|0,0,0]=2 13431 B15R0.81 C#CC(=O)CCCCCCCCCCCO 1458a_100000211873_100009812471 [0,2,0,0,0,0|1,0,0]=3 13432 B15R0.81 C#CC(C)NCCCCCCCCCC=C 2230a_100000707721_100009814027 [0,2,0,0,0,0|2,0,0]=4 13433 B15R0.81 C#CC(C)NCCCCCCCCCC=C 34a_100000081888_200000035995 [0,2,0,0,0,0|2,0,0]=4 13434 B15R0.81 C#CC(C)NCCCCCCCCCC=C 34a_100000707721_100009814027 [0,2,0,0,0,0|2,0,0]=4 13435 B15R0.81 C#CC(C)NCCCCCCCCCCC 2230a_100000707721_100011215454 [0,2,0,0,0,0|1,0,1]=4 13436 B15R0.81 C#CC(C)NCCCCCCCCCCC 34a_100000707721_100011215454 [0,2,0,0,0,0|1,0,1]=4 13437 B15R0.81 C#CC(C)NCCCCCCCCCCC 34a_200011215754_200000035995 [0,2,0,0,0,0|1,0,1]=4 13438 B15R0.81 C#CC(C)OCCCCCCCCCC=C 34a_100000038209_200000035995 [0,2,0,0,0,0|2,0,0]=4 13439 B15R0.81 C#CC(C)OCCCCCCCCCCC 34a_100000210809_200000035995 [0,2,0,0,0,0|1,0,1]=4 13440 B15R0.81 C#CC(C)SCCCCCCCCCC=C 62a_200000035995_100009814027 [0,2,0,0,0,0|2,0,0]=4 13441 B15R0.81 C#CC(C)SCCCCCCCCCCC 62a_200000035995_100011215454 [0,2,0,0,0,0|1,0,1]=4 13442 B15R0.81 C#CC(O)CCCCCNCCCCCC 2230a_100000210581_200010408556 [0,2,0,0,0,0|1,0,1]=4 13443 B15R0.81 C#CC(O)CCCCCOCCCCCC 34a_100000210259_200010408556 [0,2,0,0,0,0|1,0,1]=4 13444 B15R0.81 C#CC(O)CCCCCOCCCCCC 7a_100000210259_200010408556 [0,2,0,0,0,0|1,0,1]=4 13445 B15R0.81 C#CC(O)CCCCCSCCCCC=O 62a_100000139335_200010408556 [0,2,0,0,0,0|0,0,2]=4 13446 B15R0.81 C#CC(O)CCCCCSCCCCC=O 62a_200010408556_100000139335 [0,2,0,0,0,0|0,0,2]=4 13447 B15R0.81 C#CC(O)CCCCCSCCCCCC 62a_100000210314_200010408556 [0,2,0,0,0,0|1,0,1]=4 13448 B15R0.81 C#CC(O)CCCCCSCCCCCC 62a_200010408556_100000210757 [0,2,0,0,0,0|1,0,1]=4 13449 B15R0.81 C#CCCCCCCCCCOC(C)CC 34a_100000034437_100011215416 [0,2,0,0,0,0|1,0,1]=4 13450 B15R0.81 C#CCCCCCCCCCOC(C)CC 7a_100000034437_100000758301 [0,2,0,0,0,0|1,0,1]=4 13451 B15R0.81 C#CCCCCCCCCOCC(C)CC 34a_100000065265_100000748023 [0,2,0,0,0,0|1,0,1]=4 13452 B15R0.81 C#CCCCCCCCCOCC(C)CC 7a_100000065265_100000748023 [0,2,0,0,0,0|1,0,1]=4 13453 B15R0.81 C#CCCCCCCCCOCC(O)CC 34a_100000065265_100011218378 [0,2,0,0,0,0|1,0,1]=4 13454 B15R0.81 C#CCCCCCCCCOCC(O)CC 7a_100000065265_100011218378 [0,2,0,0,0,0|1,0,1]=4 13455 B15R0.81 C#CCCCCCCCCOC[C@@H](C)CC 34a_100000065265_100009816398 [0,2,0,0,0,0|1,0,1]=4 13456 B15R0.81 C#CCCCCCCCCOC[C@@H](C)CC 7a_100000065265_100009816398 [0,2,0,0,0,0|1,0,1]=4 13457 B15R0.81 C#CCCCCCCCNCCC(C)CC 2230a_100020591266_100153394163 [0,2,0,0,0,0|1,0,1]=4 13458 B15R0.81 C#CCCCCCCCOCCC(C)CC 7a_100011215188_100153394163 [0,2,0,0,0,0|1,0,1]=4 13459 B15R0.81 C#CCCCCCCOCCCC(C)CC 7a_100011216074_100012276617 [0,2,0,0,0,0|1,0,1]=4 13460 B15R0.81 C#CCCCCOCCCCCC(C)CC 7a_200000035636_100010269958 [0,2,0,0,0,0|1,0,1]=4 13461 B15R0.81 C#C[C@@H](C)OCCCCCCCCCC=C 34a_100009815206_100009814027 [0,2,0,0,0,0|2,0,0]=4 13462 B15R0.81 C#C[C@@H](C)OCCCCCCCCCC=C 7a_100009815206_100009814027 [0,2,0,0,0,0|2,0,0]=4 13463 B15R0.81 C#C[C@@H](C)OCCCCCCCCCCC 34a_100009815206_100011215454 [0,2,0,0,0,0|1,0,1]=4 13464 B15R0.81 C#C[C@@H](C)OCCCCCCCCCCC 7a_100009815206_100011215454 [0,2,0,0,0,0|1,0,1]=4 13465 B15R0.81 C=C(C#N)CNCCCCCCCCCC 2230a_100000684558_100000694840 [0,2,0,0,0,0|2,0,0]=4 13466 B15R0.81 C=C(C#N)CNCCCCCCCCCC 34a_100000684558_100000694840 [0,2,0,0,0,0|2,0,0]=4 13467 B15R0.81 C=C(C#N)COCCCCCCCCCC 34a_100000210711_100000694840 [0,2,0,0,0,0|2,0,0]=4 13468 B15R0.81 C=CC(=O)CCCCCCC#CCCCC 1458a_100000185746_200000043322 [0,2,0,0,0,0|0,0,2]=4 13469 B15R0.81 C=CC(=O)CCCCCCCCCCCC 1458a_100000185746_100000759014 [0,2,0,0,0,0|0,0,0]=2 13470 B15R0.81 C=CC(=O)CCCCCCCCCCCO 1458a_100000185746_100009812471 [0,2,0,0,0,0|1,0,0]=3 13471 B15R0.81 C=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000185746 [0,2,0,0,0,0|1,0,0]=3 13472 B15R0.81 C=CC(=O)NCCCCCCCCCCC 240690a_200011215754_200121576911 [0,2,0,0,0,0|1,0,0]=3 13473 B15R0.81 C=CC(=O)NCCCCCCCCCCO 240690a_100000066964_200121576911 [0,2,0,0,0,0|2,0,0]=4 13474 B15R0.81 C=CC(=O)NCCCCOCCCCCC 34a_100014118770_100000210314 [0,2,0,0,0,0|2,0,0]=4 13475 B15R0.81 C=CC(=O)NCCNCCCCCCCC 2230a_114873766552_100000210759 [0,2,0,0,0,0|2,0,0]=4 13476 B15R0.81 C=CC(=O)NCCOCCCCCCCC 34a_100011304386_100000210759 [0,2,0,0,0,0|2,0,0]=4 13477 B15R0.81 C=CC(=O)OCCCCCCNCCCC 2230a_100000102301_100009894100 [0,2,0,0,0,0|2,0,0]=4 13478 B15R0.81 C=CC(=O)OCCCCCCNCCCC 7a_106832991798_100009894100 [0,2,0,0,0,0|2,0,0]=4 13479 B15R0.81 C=CC(=O)OCCCCCCOCCCC 34a_100000210227_100009894100 [0,2,0,0,0,0|2,0,0]=4 13480 B15R0.81 C=CC(=O)OCCCCCCOCCCC 7a_100000210227_100009894100 [0,2,0,0,0,0|2,0,0]=4 13481 B15R0.81 C=CC(=O)OCCCCCCSCCCC 62a_100000210211_100009894100 [0,2,0,0,0,0|2,0,0]=4 13482 B15R0.81 C=CC(=O)OCCCCCCSCCCC 62a_100009894100_100000210210 [0,2,0,0,0,0|2,0,0]=4 13483 B15R0.81 C=CC(=O)OCCCCCOCCCCC 7a_200011023508_100000210326 [0,2,0,0,0,0|2,0,0]=4 13484 B15R0.81 C=CC(=O)OCCNCCCCCCCC 2230a_100000229939_100009813456 [0,2,0,0,0,0|2,0,0]=4 13485 B15R0.81 C=CC(=O)OCCNCCCCCCCC 34a_100000229939_100009813456 [0,2,0,0,0,0|2,0,0]=4 13486 B15R0.81 C=CC(=O)OCCOCCCCCCCC 34a_100000210232_100009813456 [0,2,0,0,0,0|2,0,0]=4 13487 B15R0.81 C=CC(=O)OCCOCCCCCCCC 7a_100000210232_100009813456 [0,2,0,0,0,0|2,0,0]=4 13488 B15R0.81 C=CC(=O)OCCSCCCCCCCC 62a_100000210759_100009813456 [0,2,0,0,0,0|2,0,0]=4 13489 B15R0.81 C=CC(=O)OCCSCCCCCCCC 62a_100009813456_100000210317 [0,2,0,0,0,0|2,0,0]=4 13490 B15R0.81 C=CC(C)COCCCCCCCCCC 34a_100011215527_100000210320 [0,2,0,0,0,0|1,0,0]=3 13491 B15R0.81 C=CC(C)COCCCCCCCCCC 7a_100011215527_100000210320 [0,2,0,0,0,0|1,0,0]=3 13492 B15R0.81 C=CC(C)COCCCCCCCCCO 34a_100011215527_100009813782 [0,2,0,0,0,0|2,0,0]=4 13493 B15R0.81 C=CC(C)COCCCCCCCCCO 7a_100011215527_100009813782 [0,2,0,0,0,0|2,0,0]=4 13494 B15R0.81 C=CC(C)OCCCCCCCCCCC 34a_100000695699_100011215454 [0,2,0,0,0,0|1,0,0]=3 13495 B15R0.81 C=CC(C)OCCCCCCCCCCO 34a_100000695699_100009813290 [0,2,0,0,0,0|2,0,0]=4 13496 B15R0.81 C=CC(C)SCCCCCCCCCCC 62a_100011215867_100011215454 [0,2,0,0,0,0|1,0,0]=3 13497 B15R0.81 C=CC(C)SCCCCCCCCCCO 62a_100011215867_200000033068 [0,2,0,0,0,0|2,0,0]=4 13498 B15R0.81 C=CC(O)CNCCCCCCCCCC 2230a_100000684558_100000730141 [0,2,0,0,0,0|1,0,0]=3 13499 B15R0.81 C=CC(O)CNCCCCCCCCCC 34a_100000684558_100000730141 [0,2,0,0,0,0|1,0,0]=3 13500 B15R0.81 C=CC(O)CNCCCCCCCCCO 2230a_100000078944_100000730141 [0,2,0,0,0,0|2,0,0]=4 13501 B15R0.81 C=CC(O)CNCCCCCCCCCO 34a_100000078944_100000730141 [0,2,0,0,0,0|2,0,0]=4 13502 B15R0.81 C=CC(O)COCCCCCCCCCBr 34a_100009813782_100000730141 [0,2,0,0,0,0|2,0,0]=4 13503 B15R0.81 C=CC(O)COCCCCCCCCCBr 7a_100009813782_100000730141 [0,2,0,0,0,0|2,0,0]=4 13504 B15R0.81 C=CC(O)COCCCCCCCCCC 34a_100000210711_100000730141 [0,2,0,0,0,0|1,0,0]=3 13505 B15R0.81 C=CC(O)COCCCCCCCCCC 7a_100000210711_100000730141 [0,2,0,0,0,0|1,0,0]=3 13506 B15R0.81 C=CC(O)COCCCCCCCCCCl 34a_100009868337_100000730141 [0,2,0,0,0,0|2,0,0]=4 13507 B15R0.81 C=CC(O)COCCCCCCCCCCl 7a_100009868337_100000730141 [0,2,0,0,0,0|2,0,0]=4 13508 B15R0.81 C=CC(O)COCCCCCCCCCN 34a_100000078944_100000730141 [0,2,0,0,0,0|2,0,0]=4 13509 B15R0.81 C=CC(O)CSCCCCCCCCCC 62a_100000730141_100000210320 [0,2,0,0,0,0|1,0,0]=3 13510 B15R0.81 C=CC(O)CSCCCCCCCCCO 62a_100000730141_100009813782 [0,2,0,0,0,0|2,0,0]=4 13511 B15R0.81 C=CC(O)CSCCCCCCCCCO 62a_100009813782_100000730141 [0,2,0,0,0,0|2,0,0]=4 13512 B15R0.81 C=CCCCCCCCCCCC(=O)C=C 1458a_100000185746_100011093070 [0,2,0,0,0,0|0,0,2]=4 13513 B15R0.81 C=CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011093070 [0,2,0,0,0,0|1,0,0]=3 13514 B15R0.81 C=CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011093070 [0,2,0,0,0,0|0,0,2]=4 13515 B15R0.81 C=CCCCCCCCCCCN(C)CC 2230a_100000225621_100011093070 [0,2,0,0,0,0|1,0,0]=3 13516 B15R0.81 C=CCCCCCCCCCCN(C)CC 269982a_100000225621_100011093070 [0,2,0,0,0,0|1,0,0]=3 13517 B15R0.81 C=CCCCCCCCCCNC(=O)CC 11a_100000081888_100000210414 [0,2,0,0,0,0|1,0,1]=4 13518 B15R0.81 C=CCCCCCCCCCNC(=O)CC 1626a_100000081888_100000210414 [0,2,0,0,0,0|1,0,1]=4 13519 B15R0.81 C=CCCCCCCCCCNC(=O)CC 240690a_100000081888_100000210414 [0,2,0,0,0,0|1,0,1]=4 13520 B15R0.81 C=CCCCCCCCCCNC(=O)CC 527a_100000081888_100000210414 [0,2,0,0,0,0|1,0,1]=4 13521 B15R0.81 C=CCCCCCCCCCNC(C)C#N 2230a_100000081888_100000184139 [0,2,0,0,0,0|2,0,0]=4 13522 B15R0.81 C=CCCCCCCCCCNC(C)C#N 2230a_100000737613_100009814027 [0,2,0,0,0,0|2,0,0]=4 13523 B15R0.81 C=CCCCCCCCCCNC(C)CC 2230a_100000081888_100000758301 [0,2,0,0,0,0|1,0,0]=3 13524 B15R0.81 C=CCCCCCCCCCNC(C)CC 2230a_100000209981_100009814027 [0,2,0,0,0,0|1,0,0]=3 13525 B15R0.81 C=CCCCCCCCCCNC(C)CC 34a_100000081888_100011215416 [0,2,0,0,0,0|1,0,0]=3 13526 B15R0.81 C=CCCCCCCCCCNC(C)CO 2230a_100000081888_100012180447 [0,2,0,0,0,0|2,0,0]=4 13527 B15R0.81 C=CCCCCCCCCCNC(C)CO 34a_100000081888_100012180447 [0,2,0,0,0,0|2,0,0]=4 13528 B15R0.81 C=CCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100009814027 [0,2,0,0,0,0|2,0,0]=4 13529 B15R0.81 C=CCCCCCCCCCOC(C)C#N 34a_100011218135_100009814027 [0,2,0,0,0,0|2,0,0]=4 13530 B15R0.81 C=CCCCCCCCCCOC(C)C#N 7a_100000038209_100000703298 [0,2,0,0,0,0|2,0,0]=4 13531 B15R0.81 C=CCCCCCCCCCOC(C)C=C 34a_100000695699_100009814027 [0,2,0,0,0,0|2,0,0]=4 13532 B15R0.81 C=CCCCCCCCCCOC(C)CC 34a_100000038209_100011215416 [0,2,0,0,0,0|1,0,0]=3 13533 B15R0.81 C=CCCCCCCCCCOC(C)CC 7a_100000038209_100000758301 [0,2,0,0,0,0|1,0,0]=3 13534 B15R0.81 C=CCCCCCCCCCOC(C)CC 7a_100000210228_100009814027 [0,2,0,0,0,0|1,0,0]=3 13535 B15R0.81 C=CCCCCCCCCCOC(C)CF 34a_100016041109_100009814027 [0,2,0,0,0,0|2,0,0]=4 13536 B15R0.81 C=CCCCCCCCCCOC(C)CF 7a_100016041109_100009814027 [0,2,0,0,0,0|2,0,0]=4 13537 B15R0.81 C=CCCCCCCCCCOC(C)CN 34a_100000210904_100009814027 [0,2,0,0,0,0|2,0,0]=4 13538 B15R0.81 C=CCCCCCCCCCOC(C)CO 34a_100000038209_100012180447 [0,2,0,0,0,0|2,0,0]=4 13539 B15R0.81 C=CCCCCCCCCCOC(C)CO 7a_100000038209_100012180447 [0,2,0,0,0,0|2,0,0]=4 13540 B15R0.81 C=CCCCCCCCCCSC(C)C#N 62a_100000703298_100009814027 [0,2,0,0,0,0|2,0,0]=4 13541 B15R0.81 C=CCCCCCCCCCSC(C)C#N 62a_100009814027_100000703298 [0,2,0,0,0,0|2,0,0]=4 13542 B15R0.81 C=CCCCCCCCCCSC(C)C=C 62a_100011215867_100009814027 [0,2,0,0,0,0|2,0,0]=4 13543 B15R0.81 C=CCCCCCCCCCSC(C)CC 62a_100000758301_100009814027 [0,2,0,0,0,0|1,0,0]=3 13544 B15R0.81 C=CCCCCCCCCCSC(C)CC 62a_100009814027_100000758301 [0,2,0,0,0,0|1,0,0]=3 13545 B15R0.81 C=CCCCCCCCCCSC(C)CO 62a_100012180447_100009814027 [0,2,0,0,0,0|2,0,0]=4 13546 B15R0.81 C=CCCCCCCCCCSC(C)OC 62a_100009814027_100009879195 [0,2,0,0,0,0|2,0,0]=4 13547 B15R0.81 C=CCCCCCCCCCSC(C)OC 62a_100009879195_100009814027 [0,2,0,0,0,0|2,0,0]=4 13548 B15R0.81 C=CCCCCCCCCCS[C@H](C)CO 62a_100009814027_100016084084 [0,2,0,0,0,0|2,0,0]=4 13549 B15R0.81 C=CCCCCCCCCCS[C@H](C)CO 62a_100016084084_100009814027 [0,2,0,0,0,0|2,0,0]=4 13550 B15R0.81 C=CCCCCCCCCNCC(C)CC 2230a_100020588543_100011933949 [0,2,0,0,0,0|1,0,0]=3 13551 B15R0.81 C=CCCCCCCCCNCC(C)CO 34a_100000744482_100011933949 [0,2,0,0,0,0|2,0,0]=4 13552 B15R0.81 C=CCCCCCCCCNCC(O)CC 2230a_100011218483_100011933949 [0,2,0,0,0,0|1,0,0]=3 13553 B15R0.81 C=CCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011933949 [0,2,0,0,0,0|2,0,0]=4 13554 B15R0.81 C=CCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100011933949 [0,2,0,0,0,0|2,0,0]=4 13555 B15R0.81 C=CCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011933949 [0,2,0,0,0,0|2,0,0]=4 13556 B15R0.81 C=CCCCCCCCCOCC(=O)CC 34a_100000725409_100011933949 [0,2,0,0,0,0|1,0,1]=4 13557 B15R0.81 C=CCCCCCCCCOCC(=O)CC 7a_100011215194_100000747405 [0,2,0,0,0,0|1,0,1]=4 13558 B15R0.81 C=CCCCCCCCCOCC(C)C=C 34a_100011215527_100011933949 [0,2,0,0,0,0|2,0,0]=4 13559 B15R0.81 C=CCCCCCCCCOCC(C)C=C 7a_100011215527_100011933949 [0,2,0,0,0,0|2,0,0]=4 13560 B15R0.81 C=CCCCCCCCCOCC(C)CC 34a_100011215194_100000748023 [0,2,0,0,0,0|1,0,0]=3 13561 B15R0.81 C=CCCCCCCCCOCC(C)CC 7a_100011215194_100000748023 [0,2,0,0,0,0|1,0,0]=3 13562 B15R0.81 C=CCCCCCCCCOCC(C)CN 34a_100000744482_100011933949 [0,2,0,0,0,0|2,0,0]=4 13563 B15R0.81 C=CCCCCCCCCOCC(C)OC 34a_100000690652_100011933949 [0,2,0,0,0,0|2,0,0]=4 13564 B15R0.81 C=CCCCCCCCCOCC(Cl)CCl 34a_100000033668_100011933949 [0,2,0,0,0,0|2,0,0]=4 13565 B15R0.81 C=CCCCCCCCCOCC(O)CC 34a_100011215194_100011218378 [0,2,0,0,0,0|1,0,0]=3 13566 B15R0.81 C=CCCCCCCCCOCC(O)CC 7a_100011215194_100011218378 [0,2,0,0,0,0|1,0,0]=3 13567 B15R0.81 C=CCCCCCCCCOCC(O)CO 34a_100011215194_100011219619 [0,2,0,0,0,0|2,0,0]=4 13568 B15R0.81 C=CCCCCCCCCOCC(O)CO 7a_100011215194_100011219619 [0,2,0,0,0,0|2,0,0]=4 13569 B15R0.81 C=CCCCCCCCCOC[C@@H](C)CC 34a_100011215194_100009816398 [0,2,0,0,0,0|1,0,0]=3 13570 B15R0.81 C=CCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100011933949 [0,2,0,0,0,0|1,0,0]=3 13571 B15R0.81 C=CCCCCCCCCOC[C@@H](C)CC 7a_100011215194_100009816398 [0,2,0,0,0,0|1,0,0]=3 13572 B15R0.81 C=CCCCCCCCCOC[C@@H](C)CO 34a_100011215194_100000059175 [0,2,0,0,0,0|2,0,0]=4 13573 B15R0.81 C=CCCCCCCCCOC[C@@H](C)CO 7a_100011215194_100000059175 [0,2,0,0,0,0|2,0,0]=4 13574 B15R0.81 C=CCCCCCCCCOC[C@@H](O)CF 34a_100011215194_100015614560 [0,2,0,0,0,0|2,0,0]=4 13575 B15R0.81 C=CCCCCCCCCOC[C@@H](O)CF 7a_100011215194_100015614560 [0,2,0,0,0,0|2,0,0]=4 13576 B15R0.81 C=CCCCCCCCCOC[C@@H](O)CO 34a_100011215194_100009815848 [0,2,0,0,0,0|2,0,0]=4 13577 B15R0.81 C=CCCCCCCCCOC[C@@H](O)CO 7a_100011215194_100009815848 [0,2,0,0,0,0|2,0,0]=4 13578 B15R0.81 C=CCCCCCCCCOC[C@H](F)CN 34a_100015665980_100011933949 [0,2,0,0,0,0|2,0,0]=4 13579 B15R0.81 C=CCCCCCCCCSCC(=O)CC 62a_100000747405_100011933949 [0,2,0,0,0,0|1,0,1]=4 13580 B15R0.81 C=CCCCCCCCCSCC(=O)CC 62a_100011933949_100000747405 [0,2,0,0,0,0|1,0,1]=4 13581 B15R0.81 C=CCCCCCCCCSCC(C)CC 62a_100000748023_100011933949 [0,2,0,0,0,0|1,0,0]=3 13582 B15R0.81 C=CCCCCCCCCSCC(C)CC 62a_100011933949_100000748023 [0,2,0,0,0,0|1,0,0]=3 13583 B15R0.81 C=CCCCCCCCCSCC(O)CC 62a_100011218378_100011933949 [0,2,0,0,0,0|1,0,0]=3 13584 B15R0.81 C=CCCCCCCCCSCC(O)CC 62a_100011933949_100011218378 [0,2,0,0,0,0|1,0,0]=3 13585 B15R0.81 C=CCCCCCCCCSCC(O)CO 62a_100011219619_100011933949 [0,2,0,0,0,0|2,0,0]=4 13586 B15R0.81 C=CCCCCCCCCSCC(O)CO 62a_100011933949_100011219619 [0,2,0,0,0,0|2,0,0]=4 13587 B15R0.81 C=CCCCCCCCCSC[C@@H](C)CC 62a_100009816398_100011933949 [0,2,0,0,0,0|1,0,0]=3 13588 B15R0.81 C=CCCCCCCCCSC[C@@H](C)CC 62a_100011933949_100009816398 [0,2,0,0,0,0|1,0,0]=3 13589 B15R0.81 C=CCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100011933949 [0,2,0,0,0,0|2,0,0]=4 13590 B15R0.81 C=CCCCCCCCCSC[C@@H](C)CO 62a_100011933949_100000059175 [0,2,0,0,0,0|2,0,0]=4 13591 B15R0.81 C=CCCCCCCCCSC[C@@H](O)CF 62a_100011933949_100015614560 [0,2,0,0,0,0|2,0,0]=4 13592 B15R0.81 C=CCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100011933949 [0,2,0,0,0,0|2,0,0]=4 13593 B15R0.81 C=CCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100011933949 [0,2,0,0,0,0|2,0,0]=4 13594 B15R0.81 C=CCCCCCCCCSC[C@@H](O)CO 62a_100011933949_100009815848 [0,2,0,0,0,0|2,0,0]=4 13595 B15R0.81 C=CCCCCCCCNCCC(C)CC 2230a_100020591266_100012355270 [0,2,0,0,0,0|1,0,0]=3 13596 B15R0.81 C=CCCCCCCCNCCC(C)CO 2230a_106354213184_100012355270 [0,2,0,0,0,0|2,0,0]=4 13597 B15R0.81 C=CCCCCCCCNCCC(C)CO 34a_106354213184_100012355270 [0,2,0,0,0,0|2,0,0]=4 13598 B15R0.81 C=CCCCCCCCOCCC(C)CC 7a_100011215188_100012355270 [0,2,0,0,0,0|1,0,0]=3 13599 B15R0.81 C=CCCCCCCCOCCC(C)OC 7a_100000764861_100012355270 [0,2,0,0,0,0|2,0,0]=4 13600 B15R0.81 C=CCCCCCCOCCCC(C)CC 7a_100011216074_100011215473 [0,2,0,0,0,0|1,0,0]=3 13601 B15R0.81 C=CCCCCCCOCCCN(C)CC 7a_200011216477_100015186262 [0,2,0,0,0,0|2,0,0]=4 13602 B15R0.81 C=CCCCCCCOCCC[C@@H](C)CN 34a_100160569302_100011215473 [0,2,0,0,0,0|2,0,0]=4 13603 B15R0.81 C=CCCCCCCSCCCN(C)CC 62a_100011215473_100015186262 [0,2,0,0,0,0|2,0,0]=4 13604 B15R0.81 C=CCCCCOCCCCCC(C)CC 7a_200000035636_100011215482 [0,2,0,0,0,0|1,0,0]=3 13605 B15R0.81 C=C[C@H](N)COCCCCCCCCCC 34a_100016989147_100000210320 [0,2,0,0,0,0|1,0,0]=3 13606 B15R0.81 C=C[C@H](N)COCCCCCCCCCO 34a_100016989147_100009813782 [0,2,0,0,0,0|2,0,0]=4 13607 B15R0.81 CCC(=O)CCCCCCCCCCCO 1458a_100000210414_100009812471 [0,2,0,0,0,0|1,0,0]=3 13608 B15R0.81 CCC(=O)COCCCCCCCCCBr 7a_100009813782_100000747405 [0,2,0,0,0,0|2,0,0]=4 13609 B15R0.81 CCC(=O)COCCCCCCCCCCl 7a_100009868337_100000747405 [0,2,0,0,0,0|2,0,0]=4 13610 B15R0.81 CCC(=O)COCCCCCCCCCO 34a_100000725409_100009813782 [0,2,0,0,0,0|2,0,0]=4 13611 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100000747405_100009813782 [0,2,0,0,0,0|2,0,0]=4 13612 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747405 [0,2,0,0,0,0|2,0,0]=4 13613 B15R0.81 CCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210414 [0,2,0,0,0,0|2,0,0]=4 13614 B15R0.81 CCC(C)CCCCCOCCCCC#N 7a_200000035636_100000211819 [0,2,0,0,0,0|1,0,1]=4 13615 B15R0.81 CCC(C)CCCCCOCCCCC=O 7a_200000035636_100000139335 [0,2,0,0,0,0|0,0,0]=2 13616 B15R0.81 CCC(C)CCCCCOCCCCCF 7a_200000035636_100000729378 [0,2,0,0,0,0|1,0,1]=4 13617 B15R0.81 CCC(C)CCCCCOCCCCCO 7a_200000035636_100000746330 [0,2,0,0,0,0|0,0,2]=4 13618 B15R0.81 CCC(C)CCCCCOCCCCOC 7a_200000035636_100000730899 [0,2,0,0,0,0|2,0,0]=4 13619 B15R0.81 CCC(C)CCCOCCCCCCC#N 7a_100011216074_100009813337 [0,2,0,0,0,0|1,0,1]=4 13620 B15R0.81 CCC(C)CCCOCCCCCCCO 7a_100011216074_100000760002 [0,2,0,0,0,0|0,0,2]=4 13621 B15R0.81 CCC(C)CCCOCCCCCCOC 7a_100011216074_100011998445 [0,2,0,0,0,0|2,0,0]=4 13622 B15R0.81 CCC(C)CCNCCCCCCCCO 2230a_100020591266_100000033203 [0,2,0,0,0,0|0,0,2]=4 13623 B15R0.81 CCC(C)CCOCCCCCCCCO 7a_100011215188_100000033203 [0,2,0,0,0,0|0,0,2]=4 13624 B15R0.81 CCC(C)CNCCCCCCCCCO 2230a_100000078944_100000748023 [0,2,0,0,0,0|0,0,2]=4 13625 B15R0.81 CCC(C)CNCCCCCCCCCO 2230a_100020588543_100009813782 [0,2,0,0,0,0|0,0,2]=4 13626 B15R0.81 CCC(C)CNCCCCCCCCCO 270004a_100000078944_100000243153 [0,2,0,0,0,0|0,0,2]=4 13627 B15R0.81 CCC(C)CNCCCCCCCCCO 34a_100000078944_100000748023 [0,2,0,0,0,0|0,0,2]=4 13628 B15R0.81 CCC(C)COCCCCCCCCCBr 34a_100009813782_100000748023 [0,2,0,0,0,0|1,0,1]=4 13629 B15R0.81 CCC(C)COCCCCCCCCCBr 7a_100009813782_100000748023 [0,2,0,0,0,0|1,0,1]=4 13630 B15R0.81 CCC(C)COCCCCCCCCCCl 34a_100009868337_100000748023 [0,2,0,0,0,0|1,0,1]=4 13631 B15R0.81 CCC(C)COCCCCCCCCCCl 7a_100009868337_100000748023 [0,2,0,0,0,0|1,0,1]=4 13632 B15R0.81 CCC(C)COCCCCCCCCCN 34a_100000078944_100000748023 [0,2,0,0,0,0|1,0,1]=4 13633 B15R0.81 CCC(C)CSCCCCCCCCCO 62a_100000748023_100009813782 [0,2,0,0,0,0|0,0,2]=4 13634 B15R0.81 CCC(C)CSCCCCCCCCCO 62a_100009813782_100000748023 [0,2,0,0,0,0|0,0,2]=4 13635 B15R0.81 CCC(C)NCCCCCCCCCCO 2230a_100000066964_100000758301 [0,2,0,0,0,0|0,0,2]=4 13636 B15R0.81 CCC(C)NCCCCCCCCCCO 2230a_100000209981_100009813290 [0,2,0,0,0,0|0,0,2]=4 13637 B15R0.81 CCC(C)NCCCCCCCCCCO 34a_100000066964_100011215416 [0,2,0,0,0,0|0,0,2]=4 13638 B15R0.81 CCC(C)OCCCCCCCCCCBr 34a_100009813290_100011215416 [0,2,0,0,0,0|1,0,1]=4 13639 B15R0.81 CCC(C)OCCCCCCCCCCBr 7a_100009813290_100000758301 [0,2,0,0,0,0|1,0,1]=4 13640 B15R0.81 CCC(C)OCCCCCCCCCCCl 34a_200000033068_100011215416 [0,2,0,0,0,0|1,0,1]=4 13641 B15R0.81 CCC(C)OCCCCCCCCCCCl 7a_200000033068_100000758301 [0,2,0,0,0,0|1,0,1]=4 13642 B15R0.81 CCC(C)OCCCCCCCCCCN 34a_100000066964_100011215416 [0,2,0,0,0,0|1,0,1]=4 13643 B15R0.81 CCC(C)OCCCCCCCCCCO 7a_100000210228_100009813290 [0,2,0,0,0,0|0,0,2]=4 13644 B15R0.81 CCC(C)SCCCCCCCCCCO 62a_100000758301_200000033068 [0,2,0,0,0,0|0,0,2]=4 13645 B15R0.81 CCC(C)SCCCCCCCCCCO 62a_100009813290_100000758301 [0,2,0,0,0,0|0,0,2]=4 13646 B15R0.81 CCC(O)CNCCCCCCCCCO 2230a_100000078944_100011218378 [0,2,0,0,0,0|0,0,2]=4 13647 B15R0.81 CCC(O)CNCCCCCCCCCO 2230a_100011218483_100009813782 [0,2,0,0,0,0|0,0,2]=4 13648 B15R0.81 CCC(O)CNCCCCCCCCCO 34a_100000078944_100011218378 [0,2,0,0,0,0|0,0,2]=4 13649 B15R0.81 CCC(O)COCCCCCCCCCBr 34a_100009813782_100011218378 [0,2,0,0,0,0|1,0,1]=4 13650 B15R0.81 CCC(O)COCCCCCCCCCBr 7a_100009813782_100011218378 [0,2,0,0,0,0|1,0,1]=4 13651 B15R0.81 CCC(O)COCCCCCCCCCCl 34a_100009868337_100011218378 [0,2,0,0,0,0|1,0,1]=4 13652 B15R0.81 CCC(O)COCCCCCCCCCCl 7a_100009868337_100011218378 [0,2,0,0,0,0|1,0,1]=4 13653 B15R0.81 CCC(O)COCCCCCCCCCN 34a_100000078944_100011218378 [0,2,0,0,0,0|1,0,1]=4 13654 B15R0.81 CCC(O)CSCCCCCCCCCO 62a_100009813782_100011218378 [0,2,0,0,0,0|0,0,2]=4 13655 B15R0.81 CCC(O)CSCCCCCCCCCO 62a_100011218378_100009813782 [0,2,0,0,0,0|0,0,2]=4 13656 B15R0.81 CCCCC#CCCCCCCC(=O)CC 1458a_100000210414_200000043322 [0,2,0,0,0,0|0,0,2]=4 13657 B15R0.81 CCCCC#CCCCCCCC(=O)CO 1458a_100000210174_200000043322 [0,2,0,0,0,0|0,0,2]=4 13658 B15R0.81 CCCCCCCCCCC=CC(=O)NC 11a_106832991635_100015291182 [0,2,0,0,0,0|0,0,2]=4 13659 B15R0.81 CCCCCCCCCCC=CC(=O)NC 1626a_100102657272_100015291182 [0,2,0,0,0,0|0,0,2]=4 13660 B15R0.81 CCCCCCCCCCC=CC(=O)NC 240690a_100102657272_100015291182 [0,2,0,0,0,0|0,0,2]=4 13661 B15R0.81 CCCCCCCCCCCCC(=O)CC 1458a_100000210414_100000759014 [0,2,0,0,0,0|0,0,0]=2 13662 B15R0.81 CCCCCCCCCCCCC(=O)CC 1458a_100011215791_100000210202 [0,2,0,0,0,0|0,0,0]=2 13663 B15R0.81 CCCCCCCCCCCCC(=O)CF 1458a_100011215791_100015361967 [0,2,0,0,0,0|0,0,0]=2 13664 B15R0.81 CCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000759014 [0,2,0,0,0,0|0,0,0]=2 13665 B15R0.81 CCCCCCCCCCCCC(=O)NC 11a_106832991635_100011215791 [0,2,0,0,0,0|0,0,0]=2 13666 B15R0.81 CCCCCCCCCCCCC(=O)NC 1626a_100102657272_100011215791 [0,2,0,0,0,0|0,0,0]=2 13667 B15R0.81 CCCCCCCCCCCCC(=O)NC 240690a_100102657272_100011215791 [0,2,0,0,0,0|0,0,0]=2 13668 B15R0.81 CCCCCCCCCCCCC(C)NC 2230a_106832991635_200011217028 [0,2,0,0,0,0|1,0,1]=4 13669 B15R0.81 CCCCCCCCCCCCC(C)NC 270004a_106832991635_100011219199 [0,2,0,0,0,0|1,0,1]=4 13670 B15R0.81 CCCCCCCCCCCCC(C)NC 34a_100102657272_200011217028 [0,2,0,0,0,0|1,0,1]=4 13671 B15R0.81 CCCCCCCCCCCCC(C)NC 7a_106832991635_200011217028 [0,2,0,0,0,0|1,0,1]=4 13672 B15R0.81 CCCCCCCCCCCCC(C)OC 34a_100138415774_200011217028 [0,2,0,0,0,0|0,0,2]=4 13673 B15R0.81 CCCCCCCCCCCCC(C)OC 34a_200011215752_200000210301 [0,2,0,0,0,0|0,0,2]=4 13674 B15R0.81 CCCCCCCCCCCCC(C)OC 7a_200011215752_200000210301 [0,2,0,0,0,0|0,0,2]=4 13675 B15R0.81 CCCCCCCCCCCCC(C)O[13CH3] 34a_200011215752_200025704644 [0,2,0,0,0,0|0,0,2]=4 13676 B15R0.81 CCCCCCCCCCCCC(C)O[13CH3] 7a_200011215752_200025704644 [0,2,0,0,0,0|0,0,2]=4 13677 B15R0.81 CCCCCCCCCCCCN(C)CC 2230a_100000225621_100011215052 [0,2,0,0,0,0|1,0,1]=4 13678 B15R0.81 CCCCCCCCCCCCN(C)CC 2230a_100000227908_100000210202 [0,2,0,0,0,0|1,0,1]=4 13679 B15R0.81 CCCCCCCCCCCCN(C)CC 269982a_100000225621_100000759014 [0,2,0,0,0,0|1,0,1]=4 13680 B15R0.81 CCCCCCCCCCCCN(C)CC 269982a_100000227908_100000204670 [0,2,0,0,0,0|1,0,1]=4 13681 B15R0.81 CCCCCCCCCCCCN(C)CF 269982a_100000227908_100015361967 [0,2,0,0,0,0|1,0,1]=4 13682 B15R0.81 CCCCCCCCCCCNC(=O)CC 11a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 13683 B15R0.81 CCCCCCCCCCCNC(=O)CC 1626a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 13684 B15R0.81 CCCCCCCCCCCNC(=O)CC 240690a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 13685 B15R0.81 CCCCCCCCCCCNC(=O)CC 527a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 13686 B15R0.81 CCCCCCCCCCCNC(=O)CO 240690a_200011215754_100000210174 [0,2,0,0,0,0|1,0,0]=3 13687 B15R0.81 CCCCCCCCCCCNC(=O)CO 527a_200011215754_100000210174 [0,2,0,0,0,0|1,0,0]=3 13688 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_100102657272_200011215754 [0,2,0,0,0,0|1,0,0]=3 13689 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_200011215754_106832991635 [0,2,0,0,0,0|1,0,0]=3 13690 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_100102657272_200011215754 [0,2,0,0,0,0|1,0,0]=3 13691 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_200011215754_100102657272 [0,2,0,0,0,0|1,0,0]=3 13692 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_106832991638_200011215754 [0,2,0,0,0,0|1,0,0]=3 13693 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_200011215754_100102657272 [0,2,0,0,0,0|1,0,0]=3 13694 B15R0.81 CCCCCCCCCCCNC(C)C#N 2230a_100000737613_100011215454 [0,2,0,0,0,0|1,0,1]=4 13695 B15R0.81 CCCCCCCCCCCNC(C)C#N 2230a_200011215754_100000184139 [0,2,0,0,0,0|1,0,1]=4 13696 B15R0.81 CCCCCCCCCCCNC(C)CC 2230a_100000209981_100011215454 [0,2,0,0,0,0|1,0,1]=4 13697 B15R0.81 CCCCCCCCCCCNC(C)CC 2230a_200011215754_100000758301 [0,2,0,0,0,0|1,0,1]=4 13698 B15R0.81 CCCCCCCCCCCNC(C)CC 34a_200011215754_100011215416 [0,2,0,0,0,0|1,0,1]=4 13699 B15R0.81 CCCCCCCCCCCNC(C)CO 2230a_200011215754_100012180447 [0,2,0,0,0,0|0,0,2]=4 13700 B15R0.81 CCCCCCCCCCCNC(C)CO 34a_200011215754_100012180447 [0,2,0,0,0,0|0,0,2]=4 13701 B15R0.81 CCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011215454 [0,2,0,0,0,0|0,0,2]=4 13702 B15R0.81 CCCCCCCCCCCOC(C)C#N 34a_100011218135_100011215454 [0,2,0,0,0,0|1,0,1]=4 13703 B15R0.81 CCCCCCCCCCCOC(C)C#N 7a_100000210809_100000703298 [0,2,0,0,0,0|1,0,1]=4 13704 B15R0.81 CCCCCCCCCCCOC(C)CC 34a_100000210809_100011215416 [0,2,0,0,0,0|1,0,1]=4 13705 B15R0.81 CCCCCCCCCCCOC(C)CC 7a_100000210228_100011215454 [0,2,0,0,0,0|1,0,1]=4 13706 B15R0.81 CCCCCCCCCCCOC(C)CC 7a_100000210809_100000758301 [0,2,0,0,0,0|1,0,1]=4 13707 B15R0.81 CCCCCCCCCCCOC(C)CF 34a_100016041109_100011215454 [0,2,0,0,0,0|1,0,1]=4 13708 B15R0.81 CCCCCCCCCCCOC(C)CF 7a_100016041109_100011215454 [0,2,0,0,0,0|1,0,1]=4 13709 B15R0.81 CCCCCCCCCCCOC(C)CN 34a_100000210904_100011215454 [0,2,0,0,0,0|1,0,1]=4 13710 B15R0.81 CCCCCCCCCCCOC(C)CO 34a_100000210809_100012180447 [0,2,0,0,0,0|0,0,2]=4 13711 B15R0.81 CCCCCCCCCCCOC(C)CO 7a_100000210809_100012180447 [0,2,0,0,0,0|0,0,2]=4 13712 B15R0.81 CCCCCCCCCCCSC(C)C#N 62a_100000703298_100011215454 [0,2,0,0,0,0|1,0,1]=4 13713 B15R0.81 CCCCCCCCCCCSC(C)CO 62a_100012180447_100011215454 [0,2,0,0,0,0|0,0,2]=4 13714 B15R0.81 CCCCCCCCCCCSC(C)OC 62a_100009879195_100011215454 [0,2,0,0,0,0|2,0,0]=4 13715 B15R0.81 CCCCCCCCCCCSC(F)C#N 62a_200000117898_100011215454 [0,2,0,0,0,0|1,0,1]=4 13716 B15R0.81 CCCCCCCCCCCS[C@H](C)CO 62a_100016084084_100011215454 [0,2,0,0,0,0|0,0,2]=4 13717 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000684558_100000183359 [0,2,0,0,0,0|1,0,0]=3 13718 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000693194_100000210320 [0,2,0,0,0,0|1,0,0]=3 13719 B15R0.81 CCCCCCCCCCNCC(=O)NC 34a_100000684558_100000183359 [0,2,0,0,0,0|1,0,0]=3 13720 B15R0.81 CCCCCCCCCCNCC(=O)OC 2230a_100000684558_100000747449 [0,2,0,0,0,0|1,0,0]=3 13721 B15R0.81 CCCCCCCCCCNCC(=O)OC 34a_100000684558_100000747449 [0,2,0,0,0,0|1,0,0]=3 13722 B15R0.81 CCCCCCCCCCNCC(C)CC 2230a_100000684558_100000748023 [0,2,0,0,0,0|1,0,1]=4 13723 B15R0.81 CCCCCCCCCCNCC(C)CC 2230a_100020588543_100000210320 [0,2,0,0,0,0|1,0,1]=4 13724 B15R0.81 CCCCCCCCCCNCC(C)CC 270004a_100000684558_100000243153 [0,2,0,0,0,0|1,0,1]=4 13725 B15R0.81 CCCCCCCCCCNCC(C)CC 34a_100000684558_100000748023 [0,2,0,0,0,0|1,0,1]=4 13726 B15R0.81 CCCCCCCCCCNCC(C)CO 34a_100000744482_100000210320 [0,2,0,0,0,0|0,0,2]=4 13727 B15R0.81 CCCCCCCCCCNCC(O)CC 2230a_100000684558_100011218378 [0,2,0,0,0,0|1,0,1]=4 13728 B15R0.81 CCCCCCCCCCNCC(O)CC 2230a_100011218483_100000210320 [0,2,0,0,0,0|1,0,1]=4 13729 B15R0.81 CCCCCCCCCCNCC(O)CC 34a_100000684558_100011218378 [0,2,0,0,0,0|1,0,1]=4 13730 B15R0.81 CCCCCCCCCCNCC(O)CO 2230a_100000684558_100011219619 [0,2,0,0,0,0|0,0,2]=4 13731 B15R0.81 CCCCCCCCCCNCC(O)CO 34a_100000684558_100011219619 [0,2,0,0,0,0|0,0,2]=4 13732 B15R0.81 CCCCCCCCCCNC[C@@H](C)CC 2230a_100000684558_100009816398 [0,2,0,0,0,0|1,0,1]=4 13733 B15R0.81 CCCCCCCCCCNC[C@@H](C)CC 34a_100000684558_100009816398 [0,2,0,0,0,0|1,0,1]=4 13734 B15R0.81 CCCCCCCCCCNC[C@@H](C)CO 2230a_100000684558_100000059175 [0,2,0,0,0,0|0,0,2]=4 13735 B15R0.81 CCCCCCCCCCNC[C@@H](C)CO 34a_100000684558_100000059175 [0,2,0,0,0,0|0,0,2]=4 13736 B15R0.81 CCCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210320 [0,2,0,0,0,0|2,0,0]=4 13737 B15R0.81 CCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210320 [0,2,0,0,0,0|0,0,2]=4 13738 B15R0.81 CCCCCCCCCCNC[C@@H](O)CF 2230a_100000684558_100015614560 [0,2,0,0,0,0|1,0,1]=4 13739 B15R0.81 CCCCCCCCCCNC[C@@H](O)CF 34a_100000684558_100015614560 [0,2,0,0,0,0|1,0,1]=4 13740 B15R0.81 CCCCCCCCCCNC[C@@H](O)CO 2230a_100000684558_100009815848 [0,2,0,0,0,0|0,0,2]=4 13741 B15R0.81 CCCCCCCCCCNC[C@@H](O)CO 34a_100000684558_100009815848 [0,2,0,0,0,0|0,0,2]=4 13742 B15R0.81 CCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210320 [0,2,0,0,0,0|0,0,2]=4 13743 B15R0.81 CCCCCCCCCCOCC(=O)CC 34a_100000725409_100000210320 [0,2,0,0,0,0|1,0,0]=3 13744 B15R0.81 CCCCCCCCCCOCC(=O)CC 7a_100000210711_100000747405 [0,2,0,0,0,0|1,0,0]=3 13745 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000210711_100000183359 [0,2,0,0,0,0|1,0,0]=3 13746 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000750040_100000210320 [0,2,0,0,0,0|1,0,0]=3 13747 B15R0.81 CCCCCCCCCCOCC(=O)NC 7a_100000210711_100000183359 [0,2,0,0,0,0|1,0,0]=3 13748 B15R0.81 CCCCCCCCCCOCC(=O)OC 34a_100000210711_100000747449 [0,2,0,0,0,0|1,0,0]=3 13749 B15R0.81 CCCCCCCCCCOCC(=O)OC 7a_100000210711_100000747449 [0,2,0,0,0,0|1,0,0]=3 13750 B15R0.81 CCCCCCCCCCOCC(C)CC 34a_100000210711_100000748023 [0,2,0,0,0,0|1,0,1]=4 13751 B15R0.81 CCCCCCCCCCOCC(C)CC 7a_100000210711_100000748023 [0,2,0,0,0,0|1,0,1]=4 13752 B15R0.81 CCCCCCCCCCOCC(C)CN 34a_100000744482_100000210320 [0,2,0,0,0,0|1,0,1]=4 13753 B15R0.81 CCCCCCCCCCOCC(C)OC 34a_100000690652_100000210320 [0,2,0,0,0,0|2,0,0]=4 13754 B15R0.81 CCCCCCCCCCOCC(Cl)CCl 34a_100000033668_100000210320 [0,2,0,0,0,0|1,0,1]=4 13755 B15R0.81 CCCCCCCCCCOCC(O)CC 34a_100000210711_100011218378 [0,2,0,0,0,0|1,0,1]=4 13756 B15R0.81 CCCCCCCCCCOCC(O)CC 7a_100000210711_100011218378 [0,2,0,0,0,0|1,0,1]=4 13757 B15R0.81 CCCCCCCCCCOCC(O)CO 34a_100000210711_100011219619 [0,2,0,0,0,0|0,0,2]=4 13758 B15R0.81 CCCCCCCCCCOCC(O)CO 7a_100000210711_100011219619 [0,2,0,0,0,0|0,0,2]=4 13759 B15R0.81 CCCCCCCCCCOC[C@@H](C)CC 34a_100000210711_100009816398 [0,2,0,0,0,0|1,0,1]=4 13760 B15R0.81 CCCCCCCCCCOC[C@@H](C)CC 7a_100000210711_100009816398 [0,2,0,0,0,0|1,0,1]=4 13761 B15R0.81 CCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210320 [0,2,0,0,0,0|1,0,1]=4 13762 B15R0.81 CCCCCCCCCCOC[C@@H](C)CO 34a_100000210711_100000059175 [0,2,0,0,0,0|0,0,2]=4 13763 B15R0.81 CCCCCCCCCCOC[C@@H](C)CO 7a_100000210711_100000059175 [0,2,0,0,0,0|0,0,2]=4 13764 B15R0.81 CCCCCCCCCCOC[C@@H](O)CF 34a_100000210711_100015614560 [0,2,0,0,0,0|1,0,1]=4 13765 B15R0.81 CCCCCCCCCCOC[C@@H](O)CF 7a_100000210711_100015614560 [0,2,0,0,0,0|1,0,1]=4 13766 B15R0.81 CCCCCCCCCCOC[C@@H](O)CO 34a_100000210711_100009815848 [0,2,0,0,0,0|0,0,2]=4 13767 B15R0.81 CCCCCCCCCCOC[C@@H](O)CO 7a_100000210711_100009815848 [0,2,0,0,0,0|0,0,2]=4 13768 B15R0.81 CCCCCCCCCCOC[C@H](F)CN 34a_100015665980_100000210320 [0,2,0,0,0,0|1,0,1]=4 13769 B15R0.81 CCCCCCCCCCSCC(=O)CC 62a_100000747405_100000210320 [0,2,0,0,0,0|1,0,0]=3 13770 B15R0.81 CCCCCCCCCCSCC(=O)NC 62a_100000183359_100000210320 [0,2,0,0,0,0|1,0,0]=3 13771 B15R0.81 CCCCCCCCCCSCC(=O)OC 62a_100000747449_100000210320 [0,2,0,0,0,0|1,0,0]=3 13772 B15R0.81 CCCCCCCCCCSCC(C)CC 62a_100000748023_100000210320 [0,2,0,0,0,0|1,0,1]=4 13773 B15R0.81 CCCCCCCCCCSCC(O)CC 62a_100011218378_100000210320 [0,2,0,0,0,0|1,0,1]=4 13774 B15R0.81 CCCCCCCCCCSCC(O)CO 62a_100011219619_100000210320 [0,2,0,0,0,0|0,0,2]=4 13775 B15R0.81 CCCCCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210320 [0,2,0,0,0,0|1,0,1]=4 13776 B15R0.81 CCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210320 [0,2,0,0,0,0|0,0,2]=4 13777 B15R0.81 CCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210320 [0,2,0,0,0,0|1,0,1]=4 13778 B15R0.81 CCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210320 [0,2,0,0,0,0|0,0,2]=4 13779 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000212291_100000737683 [0,2,0,0,0,0|1,0,0]=3 13780 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011214924 [0,2,0,0,0,0|1,0,0]=3 13781 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000212291_100012179268 [0,2,0,0,0,0|1,0,0]=3 13782 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000738227_100011214924 [0,2,0,0,0,0|1,0,0]=3 13783 B15R0.81 CCCCCCCCCNCCC(=O)OC 2230a_100000212291_100000204255 [0,2,0,0,0,0|1,0,0]=3 13784 B15R0.81 CCCCCCCCCNCCC(=O)OC 34a_100000212291_100000742370 [0,2,0,0,0,0|1,0,0]=3 13785 B15R0.81 CCCCCCCCCNCCC(C)CC 2230a_100020591266_100011214924 [0,2,0,0,0,0|1,0,1]=4 13786 B15R0.81 CCCCCCCCCNCCC(C)CO 2230a_106354213184_100011214924 [0,2,0,0,0,0|0,0,2]=4 13787 B15R0.81 CCCCCCCCCNCCC(C)CO 34a_106354213184_100011214924 [0,2,0,0,0,0|0,0,2]=4 13788 B15R0.81 CCCCCCCCCOCCC(=NO)N 34a_100000749954_100011214924 [0,2,0,0,0,0|1,0,1]=4 13789 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000210712_100012179268 [0,2,0,0,0,0|1,0,0]=3 13790 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000754576_100011214924 [0,2,0,0,0,0|1,0,0]=3 13791 B15R0.81 CCCCCCCCCOCCC(=O)NC 7a_100000210712_100000737683 [0,2,0,0,0,0|1,0,0]=3 13792 B15R0.81 CCCCCCCCCOCCC(=O)OC 34a_100000210712_100000742370 [0,2,0,0,0,0|1,0,0]=3 13793 B15R0.81 CCCCCCCCCOCCC(=O)OC 7a_100000210712_100000204255 [0,2,0,0,0,0|1,0,0]=3 13794 B15R0.81 CCCCCCCCCOCCC(C)CC 7a_100011215188_100000210328 [0,2,0,0,0,0|1,0,1]=4 13795 B15R0.81 CCCCCCCCCOCCC(C)OC 7a_100000764861_100000210328 [0,2,0,0,0,0|2,0,0]=4 13796 B15R0.81 CCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210670 [0,2,0,0,0,0|1,0,0]=3 13797 B15R0.81 CCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210670 [0,2,0,0,0,0|1,0,0]=3 13798 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000229939_100000741757 [0,2,0,0,0,0|1,0,0]=3 13799 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210759 [0,2,0,0,0,0|1,0,0]=3 13800 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000229939_100000741757 [0,2,0,0,0,0|1,0,0]=3 13801 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210759 [0,2,0,0,0,0|1,0,0]=3 13802 B15R0.81 CCCCCCCCNCCCC(=O)OC 2230a_100000229939_100011218270 [0,2,0,0,0,0|1,0,0]=3 13803 B15R0.81 CCCCCCCCNCCCC(=O)OC 34a_100000229939_100000742333 [0,2,0,0,0,0|1,0,0]=3 13804 B15R0.81 CCCCCCCCNCCNC(=O)CC 34a_100132302217_100000210759 [0,2,0,0,0,0|2,0,0]=4 13805 B15R0.81 CCCCCCCCNCCNC(=O)NC 34a_100015205895_100000210759 [0,2,0,0,0,0|2,0,0]=4 13806 B15R0.81 CCCCCCCCNCCOC(=O)NC 34a_100000229939_200011997002 [0,2,0,0,0,0|2,0,0]=4 13807 B15R0.81 CCCCCCCCOCCCC(=O)NC 34a_100000210232_100000741757 [0,2,0,0,0,0|1,0,0]=3 13808 B15R0.81 CCCCCCCCOCCCC(=O)NC 7a_100000210232_100000741757 [0,2,0,0,0,0|1,0,0]=3 13809 B15R0.81 CCCCCCCCOCCCC(=O)NN 34a_100000211488_100000210759 [0,2,0,0,0,0|1,0,0]=3 13810 B15R0.81 CCCCCCCCOCCCC(=O)OC 34a_100000210232_100000742333 [0,2,0,0,0,0|1,0,0]=3 13811 B15R0.81 CCCCCCCCOCCCC(=O)OC 7a_100000210232_100011218270 [0,2,0,0,0,0|1,0,0]=3 13812 B15R0.81 CCCCCCCCOCCCC(C)CC 7a_100011216074_100000210759 [0,2,0,0,0,0|1,0,1]=4 13813 B15R0.81 CCCCCCCCOCCC[C@@H](C)CN 34a_100160569302_100000210759 [0,2,0,0,0,0|1,0,1]=4 13814 B15R0.81 CCCCCCCCOCCNC(=O)CC 34a_200000158885_100000210759 [0,2,0,0,0,0|2,0,0]=4 13815 B15R0.81 CCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210759 [0,2,0,0,0,0|2,0,0]=4 13816 B15R0.81 CCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210759 [0,2,0,0,0,0|2,0,0]=4 13817 B15R0.81 CCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210759 [0,2,0,0,0,0|2,0,0]=4 13818 B15R0.81 CCCCCCCCOCCOC(=O)NC 34a_100000210232_200011997002 [0,2,0,0,0,0|2,0,0]=4 13819 B15R0.81 CCCCCCCCOCCOC(=O)NC 7a_100000210232_200011997002 [0,2,0,0,0,0|2,0,0]=4 13820 B15R0.81 CCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210759 [0,2,0,0,0,0|2,0,0]=4 13821 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000210759_100000741757 [0,2,0,0,0,0|1,0,0]=3 13822 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210317 [0,2,0,0,0,0|1,0,0]=3 13823 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100000210759_100011218270 [0,2,0,0,0,0|1,0,0]=3 13824 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210317 [0,2,0,0,0,0|1,0,0]=3 13825 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_100000210759_200011997002 [0,2,0,0,0,0|2,0,0]=4 13826 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210317 [0,2,0,0,0,0|2,0,0]=4 13827 B15R0.81 CCCCCCCNCCCCC(=O)OC 2230a_100000229938_100000204269 [0,2,0,0,0,0|1,0,0]=3 13828 B15R0.81 CCCCCCCNCCOCC(=O)OC 2230a_100000229938_100000090808 [0,2,0,0,0,0|2,0,0]=4 13829 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210614 [0,2,0,0,0,0|1,0,0]=3 13830 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000210272_100000204269 [0,2,0,0,0,0|1,0,0]=3 13831 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210614 [0,2,0,0,0,0|1,0,0]=3 13832 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000210272_100000204269 [0,2,0,0,0,0|1,0,0]=3 13833 B15R0.81 CCCCCCCOCCOCC(=O)OC 34a_100000210272_100000090808 [0,2,0,0,0,0|2,0,0]=4 13834 B15R0.81 CCCCCCCOCCOCC(=O)OC 7a_100000210272_100000090808 [0,2,0,0,0,0|2,0,0]=4 13835 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210316 [0,2,0,0,0,0|1,0,0]=3 13836 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000210614_100000204269 [0,2,0,0,0,0|1,0,0]=3 13837 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210316 [0,2,0,0,0,0|2,0,0]=4 13838 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000210614_100000090808 [0,2,0,0,0,0|2,0,0]=4 13839 B15R0.81 CCCCCCNCCCCCC(=O)OC 2230a_100000210581_100009816466 [0,2,0,0,0,0|1,0,0]=3 13840 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210314 [0,2,0,0,0,0|1,0,0]=3 13841 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000210259_100009816466 [0,2,0,0,0,0|1,0,0]=3 13842 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210314 [0,2,0,0,0,0|1,0,0]=3 13843 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000210259_100009816466 [0,2,0,0,0,0|1,0,0]=3 13844 B15R0.81 CCCCCCOCCCCCC(C)CC 7a_200000035636_100000210314 [0,2,0,0,0,0|1,0,1]=4 13845 B15R0.81 CCCCCCOCCOCCC(=O)NC 34a_100000691444_100012179268 [0,2,0,0,0,0|2,0,0]=4 13846 B15R0.81 CCCCCCOCCOCCC(=O)NC 7a_100000691444_100000737683 [0,2,0,0,0,0|2,0,0]=4 13847 B15R0.81 CCCCCCOCCOCCC(=O)OC 34a_100000691444_100000742370 [0,2,0,0,0,0|2,0,0]=4 13848 B15R0.81 CCCCCCOCCOCCC(=O)OC 7a_100000691444_100000204255 [0,2,0,0,0,0|2,0,0]=4 13849 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100000210314_100009816466 [0,2,0,0,0,0|1,0,0]=3 13850 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210757 [0,2,0,0,0,0|1,0,0]=3 13851 B15R0.81 CCCCCNCCCCCCC(=O)OC 2230a_100000209983_100009815986 [0,2,0,0,0,0|1,0,0]=3 13852 B15R0.81 CCCCCNCCOCCCC(=O)NC 34a_100000224656_100000741757 [0,2,0,0,0,0|2,0,0]=4 13853 B15R0.81 CCCCCNCCOCCCC(=O)OC 34a_100000224656_100000742333 [0,2,0,0,0,0|2,0,0]=4 13854 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100000210253_100009815986 [0,2,0,0,0,0|1,0,0]=3 13855 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100009863599_100000718602 [0,2,0,0,0,0|1,0,0]=3 13856 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100000210253_100009815986 [0,2,0,0,0,0|1,0,0]=3 13857 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210326 [0,2,0,0,0,0|1,0,0]=3 13858 B15R0.81 CCCCCOCCOCCCC(=O)NC 34a_100011215259_100000741757 [0,2,0,0,0,0|2,0,0]=4 13859 B15R0.81 CCCCCOCCOCCCC(=O)NC 7a_100011215259_100000741757 [0,2,0,0,0,0|2,0,0]=4 13860 B15R0.81 CCCCCOCCOCCCC(=O)OC 34a_100011215259_100000742333 [0,2,0,0,0,0|2,0,0]=4 13861 B15R0.81 CCCCCOCCOCCCC(=O)OC 7a_100011215259_100011218270 [0,2,0,0,0,0|2,0,0]=4 13862 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100000210326_100009815986 [0,2,0,0,0,0|1,0,0]=3 13863 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210326 [0,2,0,0,0,0|1,0,0]=3 13864 B15R0.81 CCCCNCCCCCCCC(=O)OC 2230a_100000102301_100010004213 [0,2,0,0,0,0|1,0,0]=3 13865 B15R0.81 CCCCNCCCCCCCC(=O)OC 7a_106832991798_100010004213 [0,2,0,0,0,0|1,0,0]=3 13866 B15R0.81 CCCCNCCCCOCCC(=O)NC 34a_200011216965_100012179268 [0,2,0,0,0,0|2,0,0]=4 13867 B15R0.81 CCCCNCCCCOCCC(=O)OC 34a_200011216965_100000742370 [0,2,0,0,0,0|2,0,0]=4 13868 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100000210227_100010004213 [0,2,0,0,0,0|1,0,0]=3 13869 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210210 [0,2,0,0,0,0|1,0,0]=3 13870 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100000210227_100010004213 [0,2,0,0,0,0|1,0,0]=3 13871 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210211 [0,2,0,0,0,0|1,0,0]=3 13872 B15R0.81 CCCCOCCCCOCCC(=O)NC 34a_200000760531_100012179268 [0,2,0,0,0,0|2,0,0]=4 13873 B15R0.81 CCCCOCCCCOCCC(=O)NC 7a_200000760531_100000737683 [0,2,0,0,0,0|2,0,0]=4 13874 B15R0.81 CCCCOCCCCOCCC(=O)OC 34a_200000760531_100000742370 [0,2,0,0,0,0|2,0,0]=4 13875 B15R0.81 CCCCOCCCCOCCC(=O)OC 7a_200000760531_100000204255 [0,2,0,0,0,0|2,0,0]=4 13876 B15R0.81 CCCCOCCCNCCCC(=O)NC 2230a_200000211371_100000741757 [0,2,0,0,0,0|2,0,0]=4 13877 B15R0.81 CCCCOCCCNCCCC(=O)NC 34a_200000211371_100000741757 [0,2,0,0,0,0|2,0,0]=4 13878 B15R0.81 CCCCOCCCNCCCC(=O)OC 2230a_200000211371_100011218270 [0,2,0,0,0,0|2,0,0]=4 13879 B15R0.81 CCCCOCCCNCCCC(=O)OC 34a_200000211371_100000742333 [0,2,0,0,0,0|2,0,0]=4 13880 B15R0.81 CCCCOCCCOCCCC(=O)NC 34a_200011215613_100000741757 [0,2,0,0,0,0|2,0,0]=4 13881 B15R0.81 CCCCOCCCOCCCC(=O)NC 7a_200011215613_100000741757 [0,2,0,0,0,0|2,0,0]=4 13882 B15R0.81 CCCCOCCCOCCCC(=O)OC 34a_200011215613_100000742333 [0,2,0,0,0,0|2,0,0]=4 13883 B15R0.81 CCCCOCCCOCCCC(=O)OC 7a_200011215613_100011218270 [0,2,0,0,0,0|2,0,0]=4 13884 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000059025_100000743108 [0,2,0,0,0,0|2,0,0]=4 13885 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000210238_100000204269 [0,2,0,0,0,0|2,0,0]=4 13886 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000059025_100000743108 [0,2,0,0,0,0|2,0,0]=4 13887 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000210238_100000204269 [0,2,0,0,0,0|2,0,0]=4 13888 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000204269_100000743108 [0,2,0,0,0,0|2,0,0]=4 13889 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000743108_100000204269 [0,2,0,0,0,0|2,0,0]=4 13890 B15R0.81 CCCCOCOCCCCCC(=O)OC 34a_100000074720_100011995733 [0,2,0,0,0,0|2,0,0]=4 13891 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100009816466_100011995733 [0,2,0,0,0,0|2,0,0]=4 13892 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100011995733_100009816466 [0,2,0,0,0,0|2,0,0]=4 13893 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100000210211_100010004213 [0,2,0,0,0,0|1,0,0]=3 13894 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210210 [0,2,0,0,0,0|1,0,0]=3 13895 B15R0.81 CCCCSCCNCCCCC(=O)OC 2230a_100025743550_100000204269 [0,2,0,0,0,0|2,0,0]=4 13896 B15R0.81 CCCCSCCOCCCCC(=O)OC 34a_200000230436_100000204269 [0,2,0,0,0,0|2,0,0]=4 13897 B15R0.81 CCCCSCCOCCCCC(=O)OC 7a_200000230436_100000204269 [0,2,0,0,0,0|2,0,0]=4 13898 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210303 [0,2,0,0,0,0|1,0,0]=3 13899 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000210258_100010282707 [0,2,0,0,0,0|1,0,0]=3 13900 B15R0.81 CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210303 [0,2,0,0,0,0|1,0,0]=3 13901 B15R0.81 CCCOCCCNCCCCC(=O)OC 2230a_100011217757_100000204269 [0,2,0,0,0,0|2,0,0]=4 13902 B15R0.81 CCCOCCCNCCCCC(=O)OC 34a_100011217757_100000204269 [0,2,0,0,0,0|2,0,0]=4 13903 B15R0.81 CCCOCCNCCCCCC(=O)OC 2230a_100161115042_100009816466 [0,2,0,0,0,0|2,0,0]=4 13904 B15R0.81 CCCOCCNCCCCCC(=O)OC 34a_100161115042_100009816466 [0,2,0,0,0,0|2,0,0]=4 13905 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000074720_100011215938 [0,2,0,0,0,0|2,0,0]=4 13906 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000752267_100009816466 [0,2,0,0,0,0|2,0,0]=4 13907 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000074720_100011215938 [0,2,0,0,0,0|2,0,0]=4 13908 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000752267_100009816466 [0,2,0,0,0,0|2,0,0]=4 13909 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100009816466_100011215938 [0,2,0,0,0,0|2,0,0]=4 13910 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100011215938_100009816466 [0,2,0,0,0,0|2,0,0]=4 13911 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100000210303_100010282707 [0,2,0,0,0,0|1,0,0]=3 13912 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210303 [0,2,0,0,0,0|1,0,0]=3 13913 B15R0.81 CCCSCCNCCCCCC(=O)OC 2230a_100020603323_100009816466 [0,2,0,0,0,0|2,0,0]=4 13914 B15R0.81 CCCSCCOCCCCCC(=O)OC 34a_200000230433_100009816466 [0,2,0,0,0,0|2,0,0]=4 13915 B15R0.81 CCCSCCOCCCCCC(=O)OC 7a_200000230433_100009816466 [0,2,0,0,0,0|2,0,0]=4 13916 B15R0.81 CCN(C)CCCCCCCCCCCO 2230a_100000225621_100009812471 [0,2,0,0,0,0|0,0,2]=4 13917 B15R0.81 CCN(C)CCCCCCCCCCCO 269982a_100000225621_100009812471 [0,2,0,0,0,0|0,0,2]=4 13918 B15R0.81 CCNCCCCCCCCCC(=O)OC 2230a_100015525214_100009813843 [0,2,0,0,0,0|1,0,0]=3 13919 B15R0.81 CCOCCCCCCCCCC(=O)OC 34a_100121572206_100009813843 [0,2,0,0,0,0|1,0,0]=3 13920 B15R0.81 CCOCCCNCCCCCC(=O)OC 2230a_100000210961_100009816466 [0,2,0,0,0,0|2,0,0]=4 13921 B15R0.81 CCOCCCNCCCCCC(=O)OC 34a_100000210961_100009816466 [0,2,0,0,0,0|2,0,0]=4 13922 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000074720_100012232248 [0,2,0,0,0,0|2,0,0]=4 13923 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000757476_100009816466 [0,2,0,0,0,0|2,0,0]=4 13924 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000074720_100012232248 [0,2,0,0,0,0|2,0,0]=4 13925 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000757476_100009816466 [0,2,0,0,0,0|2,0,0]=4 13926 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100009816466_100012232248 [0,2,0,0,0,0|2,0,0]=4 13927 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100012232248_100009816466 [0,2,0,0,0,0|2,0,0]=4 13928 B15R0.81 CCOCCNCCCCCCC(=O)OC 2230a_102516460346_100009815986 [0,2,0,0,0,0|2,0,0]=4 13929 B15R0.81 CCOCCNCCCCCCC(=O)OC 34a_102516460346_100009815986 [0,2,0,0,0,0|2,0,0]=4 13930 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100000210136_100009815986 [0,2,0,0,0,0|2,0,0]=4 13931 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100009863599_100000210147 [0,2,0,0,0,0|2,0,0]=4 13932 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100000210136_100009815986 [0,2,0,0,0,0|2,0,0]=4 13933 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100009863599_100011215890 [0,2,0,0,0,0|2,0,0]=4 13934 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100000210147_100009815986 [0,2,0,0,0,0|2,0,0]=4 13935 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100009815986_100011215890 [0,2,0,0,0,0|2,0,0]=4 13936 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100000739092_100010004213 [0,2,0,0,0,0|2,0,0]=4 13937 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100010004213_100000739092 [0,2,0,0,0,0|2,0,0]=4 13938 B15R0.81 CCSCCCCCCCCCC(=O)OC 62a_100000210202_100009813843 [0,2,0,0,0,0|1,0,0]=3 13939 B15R0.81 CCSCCCOCCCCCC(=O)OC 34a_100011216438_100009816466 [0,2,0,0,0,0|2,0,0]=4 13940 B15R0.81 CCSCCCOCCCCCC(=O)OC 7a_100011216438_100009816466 [0,2,0,0,0,0|2,0,0]=4 13941 B15R0.81 CCSCCNCCCCCCC(=O)OC 2230a_100000106463_100009815986 [0,2,0,0,0,0|2,0,0]=4 13942 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100000212035_100009815986 [0,2,0,0,0,0|2,0,0]=4 13943 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100009863599_100000757381 [0,2,0,0,0,0|2,0,0]=4 13944 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100000212035_100009815986 [0,2,0,0,0,0|2,0,0]=4 13945 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100009863599_100000757381 [0,2,0,0,0,0|2,0,0]=4 13946 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100000757381_100009815986 [0,2,0,0,0,0|2,0,0]=4 13947 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100009815986_100000757381 [0,2,0,0,0,0|2,0,0]=4 13948 B15R0.81 CC[C@H](C)CNCCCCCCCCCO 2230a_100000078944_100009816398 [0,2,0,0,0,0|0,0,2]=4 13949 B15R0.81 CC[C@H](C)CNCCCCCCCCCO 34a_100000078944_100009816398 [0,2,0,0,0,0|0,0,2]=4 13950 B15R0.81 CC[C@H](C)COCCCCCCCCCBr 34a_100009813782_100009816398 [0,2,0,0,0,0|1,0,1]=4 13951 B15R0.81 CC[C@H](C)COCCCCCCCCCBr 7a_100009813782_100009816398 [0,2,0,0,0,0|1,0,1]=4 13952 B15R0.81 CC[C@H](C)COCCCCCCCCCCl 34a_100009868337_100009816398 [0,2,0,0,0,0|1,0,1]=4 13953 B15R0.81 CC[C@H](C)COCCCCCCCCCCl 7a_100009868337_100009816398 [0,2,0,0,0,0|1,0,1]=4 13954 B15R0.81 CC[C@H](C)COCCCCCCCCCN 34a_100000078944_100009816398 [0,2,0,0,0,0|1,0,1]=4 13955 B15R0.81 CC[C@H](C)COCCCCCCCCCO 7a_100009816381_100009813782 [0,2,0,0,0,0|0,0,2]=4 13956 B15R0.81 CC[C@H](C)CSCCCCCCCCCO 62a_100009813782_100009816398 [0,2,0,0,0,0|0,0,2]=4 13957 B15R0.81 CC[C@H](C)CSCCCCCCCCCO 62a_100009816398_100009813782 [0,2,0,0,0,0|0,0,2]=4 13958 B15R0.81 CNC(=O)CCCCCCCCCCCO 240690a_100102657272_100000037981 [0,2,0,0,0,0|1,0,0]=3 13959 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100000740002_100000760002 [0,2,0,0,0,0|2,0,0]=4 13960 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100011996573_100000741757 [0,2,0,0,0,0|2,0,0]=4 13961 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100000740002_100000760002 [0,2,0,0,0,0|2,0,0]=4 13962 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100011996573_100000741757 [0,2,0,0,0,0|2,0,0]=4 13963 B15R0.81 CNC(=O)CCCNCCCCCCOC 2230a_100000740002_100011998445 [0,2,0,0,0,0|2,0,0]=4 13964 B15R0.81 CNC(=O)CCCNCCCCCCOC 34a_100000740002_100011998445 [0,2,0,0,0,0|2,0,0]=4 13965 B15R0.81 CNC(=O)CCCOCCCCCCCBr 34a_100000760002_100000741757 [0,2,0,0,0,0|2,0,0]=4 13966 B15R0.81 CNC(=O)CCCOCCCCCCCBr 7a_100000760002_100000741757 [0,2,0,0,0,0|2,0,0]=4 13967 B15R0.81 CNC(=O)CCCOCCCCCCCN 34a_100011996573_100000741757 [0,2,0,0,0,0|2,0,0]=4 13968 B15R0.81 CNC(=O)CCCOCCCCCCOC 34a_200012092642_100000741757 [0,2,0,0,0,0|2,0,0]=4 13969 B15R0.81 CNC(=O)CCCOCCCCCCOC 7a_200012092642_100000741757 [0,2,0,0,0,0|2,0,0]=4 13970 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000741757_100000760002 [0,2,0,0,0,0|2,0,0]=4 13971 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000760002_100000741757 [0,2,0,0,0,0|2,0,0]=4 13972 B15R0.81 CNC(=O)CCCSCCCCCCOC 62a_100000741757_100011998445 [0,2,0,0,0,0|2,0,0]=4 13973 B15R0.81 CNC(=O)CCCSCCCCCCOC 62a_100011998445_100000741757 [0,2,0,0,0,0|2,0,0]=4 13974 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_100000738227_100000033203 [0,2,0,0,0,0|2,0,0]=4 13975 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_102515433106_100000737683 [0,2,0,0,0,0|2,0,0]=4 13976 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_100000738227_100000033203 [0,2,0,0,0,0|2,0,0]=4 13977 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_102515433106_100012179268 [0,2,0,0,0,0|2,0,0]=4 13978 B15R0.81 CNC(=O)CCOCCCCCCCCBr 34a_100009813846_100012179268 [0,2,0,0,0,0|2,0,0]=4 13979 B15R0.81 CNC(=O)CCOCCCCCCCCBr 7a_100009813846_100000737683 [0,2,0,0,0,0|2,0,0]=4 13980 B15R0.81 CNC(=O)CCOCCCCCCCCCl 34a_100000033203_100012179268 [0,2,0,0,0,0|2,0,0]=4 13981 B15R0.81 CNC(=O)CCOCCCCCCCCCl 7a_100000033203_100000737683 [0,2,0,0,0,0|2,0,0]=4 13982 B15R0.81 CNC(=O)CCOCCCCCCCCN 34a_102515433106_100012179268 [0,2,0,0,0,0|2,0,0]=4 13983 B15R0.81 CNC(=O)CCOCCCCCCCCO 34a_100000754576_100000033203 [0,2,0,0,0,0|2,0,0]=4 13984 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000033203_100000737683 [0,2,0,0,0,0|2,0,0]=4 13985 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000737683_100000033203 [0,2,0,0,0,0|2,0,0]=4 13986 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183359 [0,2,0,0,0,0|2,0,0]=4 13987 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000693194_100009813782 [0,2,0,0,0,0|2,0,0]=4 13988 B15R0.81 CNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183359 [0,2,0,0,0,0|2,0,0]=4 13989 B15R0.81 CNC(=O)COCCCCCCCCCBr 34a_100009813782_100000183359 [0,2,0,0,0,0|2,0,0]=4 13990 B15R0.81 CNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183359 [0,2,0,0,0,0|2,0,0]=4 13991 B15R0.81 CNC(=O)COCCCCCCCCCCl 34a_100009868337_100000183359 [0,2,0,0,0,0|2,0,0]=4 13992 B15R0.81 CNC(=O)COCCCCCCCCCCl 7a_100009868337_100000183359 [0,2,0,0,0,0|2,0,0]=4 13993 B15R0.81 CNC(=O)COCCCCCCCCCN 34a_100000078944_100000183359 [0,2,0,0,0,0|2,0,0]=4 13994 B15R0.81 CNC(=O)COCCCCCCCCCO 34a_100000750040_100009813782 [0,2,0,0,0,0|2,0,0]=4 13995 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100000183359_100009813782 [0,2,0,0,0,0|2,0,0]=4 13996 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183359 [0,2,0,0,0,0|2,0,0]=4 13997 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100000066964_106832991635 [0,2,0,0,0,0|2,0,0]=4 13998 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100102657272_100000066964 [0,2,0,0,0,0|2,0,0]=4 13999 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100000066964_100102657272 [0,2,0,0,0,0|2,0,0]=4 14000 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100102657272_100000066964 [0,2,0,0,0,0|2,0,0]=4 14001 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_100000066964_100102657272 [0,2,0,0,0,0|2,0,0]=4 14002 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_106832991638_100000066964 [0,2,0,0,0,0|2,0,0]=4 14003 B15R0.81 CNCCCCCCCCCCC(=O)OC 2230a_106832991635_100009812566 [0,2,0,0,0,0|1,0,0]=3 14004 B15R0.81 CNCCCCCCCCCCC(=O)OC 34a_100102657272_100009812566 [0,2,0,0,0,0|1,0,0]=3 14005 B15R0.81 CNCCCCCCCCCCC(=O)OC 7a_106832991635_100009812566 [0,2,0,0,0,0|1,0,0]=3 14006 B15R0.81 CNCCCCCOCCCCC(=O)OC 34a_100000722520_100000204269 [0,2,0,0,0,0|2,0,0]=4 14007 B15R0.81 CNCCCOCCCCCCC(=O)OC 34a_100000213112_100009815986 [0,2,0,0,0,0|2,0,0]=4 14008 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 34a_100011003013_200025704644 [0,2,0,0,0,0|1,0,0]=3 14009 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 7a_100011003013_200025704644 [0,2,0,0,0,0|1,0,0]=3 14010 B15R0.81 COC(=O)CCCCCCCCCCSC 62a_200000210301_100009812566 [0,2,0,0,0,0|1,0,0]=3 14011 B15R0.81 COC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009812566 [0,2,0,0,0,0|1,0,0]=3 14012 B15R0.81 COC(=O)CCCCCCCCCSCF 62a_100015361967_100009813843 [0,2,0,0,0,0|2,0,0]=4 14013 B15R0.81 COC(=O)CCCCCCCCNCCF 34a_100000724931_100010282707 [0,2,0,0,0,0|2,0,0]=4 14014 B15R0.81 COC(=O)CCCCCCCCNCCO 2230a_100016997473_100010282707 [0,2,0,0,0,0|2,0,0]=4 14015 B15R0.81 COC(=O)CCCCCCCCNCCO 34a_100016990907_100010282707 [0,2,0,0,0,0|2,0,0]=4 14016 B15R0.81 COC(=O)CCCCCCCCOCC=O 34a_100000035544_200009817547 [0,2,0,0,0,0|1,0,1]=4 14017 B15R0.81 COC(=O)CCCCCCCCOCC=O 7a_100000035544_200015260668 [0,2,0,0,0,0|1,0,1]=4 14018 B15R0.81 COC(=O)CCCCCCCCOCCBr 34a_100000211926_100010282707 [0,2,0,0,0,0|2,0,0]=4 14019 B15R0.81 COC(=O)CCCCCCCCOCCF 34a_100000035544_100011217306 [0,2,0,0,0,0|2,0,0]=4 14020 B15R0.81 COC(=O)CCCCCCCCOCCF 7a_100000035544_100011217306 [0,2,0,0,0,0|2,0,0]=4 14021 B15R0.81 COC(=O)CCCCCCCCOCCN 34a_100000210304_100010282707 [0,2,0,0,0,0|2,0,0]=4 14022 B15R0.81 COC(=O)CCCCCCCCOCCO 34a_100000035544_100000211926 [0,2,0,0,0,0|2,0,0]=4 14023 B15R0.81 COC(=O)CCCCCCCCOCCO 7a_100000035544_100000211926 [0,2,0,0,0,0|2,0,0]=4 14024 B15R0.81 COC(=O)CCCCCCCCOCSC 34a_100000035544_100011218213 [0,2,0,0,0,0|2,0,0]=4 14025 B15R0.81 COC(=O)CCCCCCCCSCC=O 62a_100010282707_200015260668 [0,2,0,0,0,0|1,0,1]=4 14026 B15R0.81 COC(=O)CCCCCCCCSCC=O 62a_200015260668_100010282707 [0,2,0,0,0,0|1,0,1]=4 14027 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100010282707_100011217306 [0,2,0,0,0,0|2,0,0]=4 14028 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100011217306_100010282707 [0,2,0,0,0,0|2,0,0]=4 14029 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100000211926_100010282707 [0,2,0,0,0,0|2,0,0]=4 14030 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100010282707_100000211926 [0,2,0,0,0,0|2,0,0]=4 14031 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100010282707_100011218213 [0,2,0,0,0,0|2,0,0]=4 14032 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100011218213_100010282707 [0,2,0,0,0,0|2,0,0]=4 14033 B15R0.81 COC(=O)CCCCCCCNCCCF 2230a_100015189416_100010004213 [0,2,0,0,0,0|2,0,0]=4 14034 B15R0.81 COC(=O)CCCCCCCNCCCF 34a_100015189416_100010004213 [0,2,0,0,0,0|2,0,0]=4 14035 B15R0.81 COC(=O)CCCCCCCNCCSC 2230a_100020590264_100010004213 [0,2,0,0,0,0|2,0,0]=4 14036 B15R0.81 COC(=O)CCCCCCCOCCCBr 34a_100011217188_100010004213 [0,2,0,0,0,0|2,0,0]=4 14037 B15R0.81 COC(=O)CCCCCCCOCCCCl 34a_100000230001_100010004213 [0,2,0,0,0,0|2,0,0]=4 14038 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100000759539_100010004213 [0,2,0,0,0,0|2,0,0]=4 14039 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100011022521_100011934791 [0,2,0,0,0,0|2,0,0]=4 14040 B15R0.81 COC(=O)CCCCCCCOCCCF 7a_100011022521_100011934791 [0,2,0,0,0,0|2,0,0]=4 14041 B15R0.81 COC(=O)CCCCCCCOCCCN 34a_100000182051_100010004213 [0,2,0,0,0,0|2,0,0]=4 14042 B15R0.81 COC(=O)CCCCCCCOCCCO 34a_100011022521_100000230001 [0,2,0,0,0,0|2,0,0]=4 14043 B15R0.81 COC(=O)CCCCCCCOCCCO 7a_100011022521_100011215043 [0,2,0,0,0,0|2,0,0]=4 14044 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100000230434_100010004213 [0,2,0,0,0,0|2,0,0]=4 14045 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100011022521_100000212216 [0,2,0,0,0,0|2,0,0]=4 14046 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100000230434_100010004213 [0,2,0,0,0,0|2,0,0]=4 14047 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100011022521_100000212216 [0,2,0,0,0,0|2,0,0]=4 14048 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100010004213_100011934791 [0,2,0,0,0,0|2,0,0]=4 14049 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100011934791_100010004213 [0,2,0,0,0,0|2,0,0]=4 14050 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100010004213_100011215043 [0,2,0,0,0,0|2,0,0]=4 14051 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100011215043_100010004213 [0,2,0,0,0,0|2,0,0]=4 14052 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100000212216_100010004213 [0,2,0,0,0,0|2,0,0]=4 14053 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100010004213_100000751147 [0,2,0,0,0,0|2,0,0]=4 14054 B15R0.81 COC(=O)CCCCCCNCCCCO 2230a_100000750430_100009815986 [0,2,0,0,0,0|2,0,0]=4 14055 B15R0.81 COC(=O)CCCCCCNCCCCO 34a_100000750430_100009815986 [0,2,0,0,0,0|2,0,0]=4 14056 B15R0.81 COC(=O)CCCCCCNCCCSC 2230a_100000749238_100009815986 [0,2,0,0,0,0|2,0,0]=4 14057 B15R0.81 COC(=O)CCCCCCOCCCC=O 7a_100009863599_200011292268 [0,2,0,0,0,0|1,0,1]=4 14058 B15R0.81 COC(=O)CCCCCCOCCCCBr 34a_100011216708_100009815986 [0,2,0,0,0,0|2,0,0]=4 14059 B15R0.81 COC(=O)CCCCCCOCCCCCl 34a_100000210776_100009815986 [0,2,0,0,0,0|2,0,0]=4 14060 B15R0.81 COC(=O)CCCCCCOCCCCCl 7a_100000210776_100009815986 [0,2,0,0,0,0|2,0,0]=4 14061 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100009863599_100000729493 [0,2,0,0,0,0|2,0,0]=4 14062 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100011995726_100009815986 [0,2,0,0,0,0|2,0,0]=4 14063 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100009863599_100000729493 [0,2,0,0,0,0|2,0,0]=4 14064 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100011995726_100009815986 [0,2,0,0,0,0|2,0,0]=4 14065 B15R0.81 COC(=O)CCCCCCOCCCCI 34a_200012148704_100009815986 [0,2,0,0,0,0|2,0,0]=4 14066 B15R0.81 COC(=O)CCCCCCOCCCCN 34a_100000750430_100009815986 [0,2,0,0,0,0|2,0,0]=4 14067 B15R0.81 COC(=O)CCCCCCOCCCCO 34a_100009863599_100011216708 [0,2,0,0,0,0|2,0,0]=4 14068 B15R0.81 COC(=O)CCCCCCOCCCCO 7a_100009863599_100000210776 [0,2,0,0,0,0|2,0,0]=4 14069 B15R0.81 COC(=O)CCCCCCOCCCSC 34a_100000690336_100009815986 [0,2,0,0,0,0|2,0,0]=4 14070 B15R0.81 COC(=O)CCCCCCOCCCSC 7a_100000690336_100009815986 [0,2,0,0,0,0|2,0,0]=4 14071 B15R0.81 COC(=O)CCCCCCSCCCC=O 62a_100009815986_200011292268 [0,2,0,0,0,0|1,0,1]=4 14072 B15R0.81 COC(=O)CCCCCCSCCCC=O 62a_200011292268_100009815986 [0,2,0,0,0,0|1,0,1]=4 14073 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100000729493_100009815986 [0,2,0,0,0,0|2,0,0]=4 14074 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100009815986_100000729493 [0,2,0,0,0,0|2,0,0]=4 14075 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100000210776_100009815986 [0,2,0,0,0,0|2,0,0]=4 14076 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100009815986_100000210776 [0,2,0,0,0,0|2,0,0]=4 14077 B15R0.81 COC(=O)CCCCCNCCCCCO 2230a_100000762737_100009816466 [0,2,0,0,0,0|2,0,0]=4 14078 B15R0.81 COC(=O)CCCCCNCCCCCO 34a_100000762737_100009816466 [0,2,0,0,0,0|2,0,0]=4 14079 B15R0.81 COC(=O)CCCCCOCCCCC=O 7a_100000074720_100000139335 [0,2,0,0,0,0|1,0,1]=4 14080 B15R0.81 COC(=O)CCCCCOCCCCCBr 34a_100000746331_100009816466 [0,2,0,0,0,0|2,0,0]=4 14081 B15R0.81 COC(=O)CCCCCOCCCCCBr 7a_100000746331_100009816466 [0,2,0,0,0,0|2,0,0]=4 14082 B15R0.81 COC(=O)CCCCCOCCCCCCl 34a_100000746330_100009816466 [0,2,0,0,0,0|2,0,0]=4 14083 B15R0.81 COC(=O)CCCCCOCCCCCCl 7a_100000746330_100009816466 [0,2,0,0,0,0|2,0,0]=4 14084 B15R0.81 COC(=O)CCCCCOCCCCCF 34a_100000074720_100000729378 [0,2,0,0,0,0|2,0,0]=4 14085 B15R0.81 COC(=O)CCCCCOCCCCCF 7a_100000074720_100000729378 [0,2,0,0,0,0|2,0,0]=4 14086 B15R0.81 COC(=O)CCCCCOCCCCCI 34a_200012148887_100009816466 [0,2,0,0,0,0|2,0,0]=4 14087 B15R0.81 COC(=O)CCCCCOCCCCCI 7a_200012148887_100009816466 [0,2,0,0,0,0|2,0,0]=4 14088 B15R0.81 COC(=O)CCCCCOCCCCCN 34a_100000762737_100009816466 [0,2,0,0,0,0|2,0,0]=4 14089 B15R0.81 COC(=O)CCCCCOCCCCCO 34a_100000074720_100000746330 [0,2,0,0,0,0|2,0,0]=4 14090 B15R0.81 COC(=O)CCCCCOCCCCCO 7a_100000074720_100000746330 [0,2,0,0,0,0|2,0,0]=4 14091 B15R0.81 COC(=O)CCCCCOCCCCSC 34a_100011217163_100009816466 [0,2,0,0,0,0|2,0,0]=4 14092 B15R0.81 COC(=O)CCCCCOCCCCSC 7a_100011217163_100009816466 [0,2,0,0,0,0|2,0,0]=4 14093 B15R0.81 COC(=O)CCCCCSCCCCC=O 62a_100000139335_100009816466 [0,2,0,0,0,0|1,0,1]=4 14094 B15R0.81 COC(=O)CCCCCSCCCCC=O 62a_100009816466_100000139335 [0,2,0,0,0,0|1,0,1]=4 14095 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100000729378_100009816466 [0,2,0,0,0,0|2,0,0]=4 14096 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100009816466_100000729378 [0,2,0,0,0,0|2,0,0]=4 14097 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100000746330_100009816466 [0,2,0,0,0,0|2,0,0]=4 14098 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100009816466_100000746330 [0,2,0,0,0,0|2,0,0]=4 14099 B15R0.81 COC(=O)CCCCNCCCCCCO 2230a_100000686447_100000204269 [0,2,0,0,0,0|2,0,0]=4 14100 B15R0.81 COC(=O)CCCCNCCCCCCO 34a_100000686447_100000204269 [0,2,0,0,0,0|2,0,0]=4 14101 B15R0.81 COC(=O)CCCCOCCCCCC=O 7a_100000059025_100000139337 [0,2,0,0,0,0|1,0,1]=4 14102 B15R0.81 COC(=O)CCCCOCCCCCCBr 34a_100011215345_100000204269 [0,2,0,0,0,0|2,0,0]=4 14103 B15R0.81 COC(=O)CCCCOCCCCCCBr 7a_100011215345_100000204269 [0,2,0,0,0,0|2,0,0]=4 14104 B15R0.81 COC(=O)CCCCOCCCCCCCl 34a_100000766143_100000204269 [0,2,0,0,0,0|2,0,0]=4 14105 B15R0.81 COC(=O)CCCCOCCCCCCCl 7a_100000766143_100000204269 [0,2,0,0,0,0|2,0,0]=4 14106 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000059025_100015922095 [0,2,0,0,0,0|2,0,0]=4 14107 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000732779_100000204269 [0,2,0,0,0,0|2,0,0]=4 14108 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000059025_100015922095 [0,2,0,0,0,0|2,0,0]=4 14109 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000732779_100000204269 [0,2,0,0,0,0|2,0,0]=4 14110 B15R0.81 COC(=O)CCCCOCCCCCCN 34a_100000686447_100000204269 [0,2,0,0,0,0|2,0,0]=4 14111 B15R0.81 COC(=O)CCCCOCCCCCCO 34a_100000059025_100000766143 [0,2,0,0,0,0|2,0,0]=4 14112 B15R0.81 COC(=O)CCCCOCCCCCCO 7a_100000059025_100000766143 [0,2,0,0,0,0|2,0,0]=4 14113 B15R0.81 COC(=O)CCCCSCCCCCC=O 62a_100000139337_100000204269 [0,2,0,0,0,0|1,0,1]=4 14114 B15R0.81 COC(=O)CCCCSCCCCCC=O 62a_100000204269_100000139337 [0,2,0,0,0,0|1,0,1]=4 14115 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100000204269_100015922095 [0,2,0,0,0,0|2,0,0]=4 14116 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100015922095_100000204269 [0,2,0,0,0,0|2,0,0]=4 14117 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000204269_100000766143 [0,2,0,0,0,0|2,0,0]=4 14118 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000766143_100000204269 [0,2,0,0,0,0|2,0,0]=4 14119 B15R0.81 COC(=O)CCCNCCCCCCCO 2230a_100011996573_100011218270 [0,2,0,0,0,0|2,0,0]=4 14120 B15R0.81 COC(=O)CCCNCCCCCCCO 34a_100011996573_100000742333 [0,2,0,0,0,0|2,0,0]=4 14121 B15R0.81 COC(=O)CCCOCCCCCCCBr 34a_100000760002_100000742333 [0,2,0,0,0,0|2,0,0]=4 14122 B15R0.81 COC(=O)CCCOCCCCCCCBr 7a_100000760002_100011218270 [0,2,0,0,0,0|2,0,0]=4 14123 B15R0.81 COC(=O)CCCOCCCCCCCN 34a_100011996573_100000742333 [0,2,0,0,0,0|2,0,0]=4 14124 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100000760002_100011218270 [0,2,0,0,0,0|2,0,0]=4 14125 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100011218270_100000760002 [0,2,0,0,0,0|2,0,0]=4 14126 B15R0.81 COC(=O)CCNCCCCCCCCO 2230a_102515433106_100000204255 [0,2,0,0,0,0|2,0,0]=4 14127 B15R0.81 COC(=O)CCNCCCCCCCCO 34a_102515433106_100000742370 [0,2,0,0,0,0|2,0,0]=4 14128 B15R0.81 COC(=O)CCOCCCCCCCCBr 34a_100009813846_100000742370 [0,2,0,0,0,0|2,0,0]=4 14129 B15R0.81 COC(=O)CCOCCCCCCCCBr 7a_100009813846_100000204255 [0,2,0,0,0,0|2,0,0]=4 14130 B15R0.81 COC(=O)CCOCCCCCCCCCl 34a_100000033203_100000742370 [0,2,0,0,0,0|2,0,0]=4 14131 B15R0.81 COC(=O)CCOCCCCCCCCCl 7a_100000033203_100000204255 [0,2,0,0,0,0|2,0,0]=4 14132 B15R0.81 COC(=O)CCOCCCCCCCCN 34a_102515433106_100000742370 [0,2,0,0,0,0|2,0,0]=4 14133 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000033203_100000204255 [0,2,0,0,0,0|2,0,0]=4 14134 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000204255_100000033203 [0,2,0,0,0,0|2,0,0]=4 14135 B15R0.81 COC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747449 [0,2,0,0,0,0|2,0,0]=4 14136 B15R0.81 COC(=O)CNCCCCCCCCCO 34a_100000078944_100000747449 [0,2,0,0,0,0|2,0,0]=4 14137 B15R0.81 COC(=O)COCCCCCCCCCBr 34a_100009813782_100000747449 [0,2,0,0,0,0|2,0,0]=4 14138 B15R0.81 COC(=O)COCCCCCCCCCBr 7a_100009813782_100000747449 [0,2,0,0,0,0|2,0,0]=4 14139 B15R0.81 COC(=O)COCCCCCCCCCCl 34a_100009868337_100000747449 [0,2,0,0,0,0|2,0,0]=4 14140 B15R0.81 COC(=O)COCCCCCCCCCCl 7a_100009868337_100000747449 [0,2,0,0,0,0|2,0,0]=4 14141 B15R0.81 COC(=O)COCCCCCCCCCN 34a_100000078944_100000747449 [0,2,0,0,0,0|2,0,0]=4 14142 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100000747449_100009813782 [0,2,0,0,0,0|2,0,0]=4 14143 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100009813782_100000747449 [0,2,0,0,0,0|2,0,0]=4 14144 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100011003013_200000210301 [0,2,0,0,0,0|1,0,0]=3 14145 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100138415774_100009812566 [0,2,0,0,0,0|1,0,0]=3 14146 B15R0.81 COCCCCCCCCCCC(=O)OC 7a_100011003013_200000210301 [0,2,0,0,0,0|1,0,0]=3 14147 B15R0.81 COCCCCCCOCCCC(=O)NN 34a_100000211488_100011998445 [0,2,0,0,0,0|2,0,0]=4 14148 B15R0.81 COCCCCCCOCCCC(=O)OC 34a_200012092642_100000742333 [0,2,0,0,0,0|2,0,0]=4 14149 B15R0.81 COCCCCCCOCCCC(=O)OC 7a_200012092642_100011218270 [0,2,0,0,0,0|2,0,0]=4 14150 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011218270_100011998445 [0,2,0,0,0,0|2,0,0]=4 14151 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011998445_100011218270 [0,2,0,0,0,0|2,0,0]=4 14152 B15R0.81 COCCCCCNCCCCC(=O)OC 2230a_100000747528_100000204269 [0,2,0,0,0,0|2,0,0]=4 14153 B15R0.81 COCCCCCNCCCCC(=O)OC 34a_100000747528_100000204269 [0,2,0,0,0,0|2,0,0]=4 14154 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000074720_100000755781 [0,2,0,0,0,0|2,0,0]=4 14155 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000740925_100009816466 [0,2,0,0,0,0|2,0,0]=4 14156 B15R0.81 COCCCCOCCCCCC(=O)OC 7a_100000074720_100000730899 [0,2,0,0,0,0|2,0,0]=4 14157 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100000730899_100009816466 [0,2,0,0,0,0|2,0,0]=4 14158 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100009816466_100000730899 [0,2,0,0,0,0|2,0,0]=4 14159 B15R0.81 COCCCNCCCCCCC(=O)OC 34a_100150723488_100009815986 [0,2,0,0,0,0|2,0,0]=4 14160 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100000740835_100009815986 [0,2,0,0,0,0|2,0,0]=4 14161 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100009863599_100000740836 [0,2,0,0,0,0|2,0,0]=4 14162 B15R0.81 COCCCOCCCCCCC(=O)OC 7a_100009863599_100000740836 [0,2,0,0,0,0|2,0,0]=4 14163 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100000709357_100009815986 [0,2,0,0,0,0|2,0,0]=4 14164 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100009815986_100000709357 [0,2,0,0,0,0|2,0,0]=4 14165 B15R0.81 COCCNCCCCCCCC(=O)OC 2230a_100000209980_100010004213 [0,2,0,0,0,0|2,0,0]=4 14166 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100000210237_100010004213 [0,2,0,0,0,0|2,0,0]=4 14167 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100011022521_100011201679 [0,2,0,0,0,0|2,0,0]=4 14168 B15R0.81 COCCOCCCCCCCC(=O)OC 7a_100011022521_100000233755 [0,2,0,0,0,0|2,0,0]=4 14169 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100000233755_100010004213 [0,2,0,0,0,0|2,0,0]=4 14170 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100010004213_100000233755 [0,2,0,0,0,0|2,0,0]=4 14171 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100000766300_100010282707 [0,2,0,0,0,0|2,0,0]=4 14172 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100010282707_100000766300 [0,2,0,0,0,0|2,0,0]=4 14173 B15R0.81 NNC(=O)CCCOCCCCCCCO 34a_100000211488_100000760002 [0,2,0,0,0,0|2,0,0]=4 14174 B15R0.81 O=C(CO)CCCCCCCCCCCO 1458a_100000210174_100009812471 [0,2,0,0,0,0|1,0,0]=3 14175 B15R0.81 O=C(CO)NCCCCCCCCCCO 240690a_100000066964_100000210174 [0,2,0,0,0,0|2,0,0]=4 14176 B15R0.84 C=C(C)C(=O)CCCCCCCCCCC 1458a_100000185857_100011215454 [0,2,0,0,0,0|1,0,1]=4 14177 B15R0.84 C=C(C)C(C)NCCCCCCCCCC 269862a_100000684558_100011216138 [0,2,0,0,0,0|2,0,0]=4 14178 B15R0.84 C=CCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100009814027 [0,2,0,0,0,0|1,0,1]=4 14179 B15R0.84 C=CCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100009814027 [0,2,0,0,0,0|1,0,1]=4 14180 B15R0.84 C=CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009814027 [0,2,0,0,0,0|1,0,1]=4 14181 B15R0.84 C=CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009814027 [0,2,0,0,0,0|1,0,1]=4 14182 B15R0.84 C=CCCCCCCCCCN(C)C(C)C 269982a_200000211004_100009814027 [0,2,0,0,0,0|2,0,0]=4 14183 B15R0.84 C=CCCCCCCCCNC(C)C(C)C 2230a_100000211541_100011933949 [0,2,0,0,0,0|2,0,0]=4 14184 B15R0.84 C=CCCCCCCCCOC(C)C(C)C 7a_100000748068_100011933949 [0,2,0,0,0,0|2,0,0]=4 14185 B15R0.84 C=CCCCCCCCNCC(O)C(C)C 2230a_100000759067_100012355270 [0,2,0,0,0,0|2,0,0]=4 14186 B15R0.84 C=CCCCCCCCNCC(O)C(C)C 34a_100000759067_100012355270 [0,2,0,0,0,0|2,0,0]=4 14187 B15R0.84 C=CCCCCCCCOC[C@H](N)C(C)C 34a_100011830312_100012355270 [0,2,0,0,0,0|2,0,0]=4 14188 B15R0.84 C=CCCCCCCOCCC(N)C(C)C 34a_100161115045_100011215473 [0,2,0,0,0,0|2,0,0]=4 14189 B15R0.84 CC(=O)C(C)COCCCCCCCCO 34a_100000032740_100000033203 [0,2,0,0,0,0|2,0,0]=4 14190 B15R0.84 CC(=O)C(C)COCCCCCCCCO 7a_100000032740_100000033203 [0,2,0,0,0,0|2,0,0]=4 14191 B15R0.84 CC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100009814033 [0,2,0,0,0,0|2,0,0]=4 14192 B15R0.84 CC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000179758 [0,2,0,0,0,0|2,0,0]=4 14193 B15R0.84 CC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100000179758 [0,2,0,0,0,0|2,0,0]=4 14194 B15R0.84 CC(=O)C(C)OCCCCCCCCCO 34a_100000212229_100009813782 [0,2,0,0,0,0|2,0,0]=4 14195 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100009814033 [0,2,0,0,0,0|2,0,0]=4 14196 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009814033_100009813782 [0,2,0,0,0,0|2,0,0]=4 14197 B15R0.84 CC(CNCCCCCCCCO)C(=O)O 269956a_100000749485_100000033203 [0,2,0,0,0,0|2,0,0]=4 14198 B15R0.84 CC(NCCCCCCCCCO)C(=O)N 2230a_100000078944_100000702099 [0,2,0,0,0,0|2,0,0]=4 14199 B15R0.84 CC(NCCCCCCCCCO)C(=O)N 34a_100000078944_100000702099 [0,2,0,0,0,0|2,0,0]=4 14200 B15R0.84 CC(OCCCCCCCCCBr)C(=O)N 34a_100009813782_100000702099 [0,2,0,0,0,0|2,0,0]=4 14201 B15R0.84 CC(OCCCCCCCCCBr)C(=O)N 7a_100009813782_100000702099 [0,2,0,0,0,0|2,0,0]=4 14202 B15R0.84 CC(OCCCCCCCCCCl)C(=O)N 34a_100009868337_100000702099 [0,2,0,0,0,0|2,0,0]=4 14203 B15R0.84 CC(OCCCCCCCCCCl)C(=O)N 7a_100009868337_100000702099 [0,2,0,0,0,0|2,0,0]=4 14204 B15R0.84 CC(OCCCCCCCCCN)C(=O)N 34a_100000078944_100000702099 [0,2,0,0,0,0|2,0,0]=4 14205 B15R0.84 CC(SCCCCCCCCCO)C(=O)N 62a_100000702099_100009813782 [0,2,0,0,0,0|2,0,0]=4 14206 B15R0.84 CC(SCCCCCCCCCO)C(=O)N 62a_100009813782_100000702099 [0,2,0,0,0,0|2,0,0]=4 14207 B15R0.84 CCCCCCCCCCCC(C)N(C)C 270004a_100102631434_100011216755 [0,2,0,0,0,0|2,0,0]=4 14208 B15R0.84 CCCCCCCCCCNC(=O)C(=O)N 240690a_100000684558_100011215815 [0,2,0,0,0,0|1,0,1]=4 14209 B15R0.84 CCCCCCCCCCNC(C)C(=O)C 2230a_100000684558_100009814033 [0,2,0,0,0,0|1,0,0]=3 14210 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 2230a_100000684558_100000702099 [0,2,0,0,0,0|1,0,0]=3 14211 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 34a_100000684558_100000702099 [0,2,0,0,0,0|1,0,0]=3 14212 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 2230a_100000684558_100009813875 [0,2,0,0,0,0|1,0,0]=3 14213 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 34a_100000684558_100009813875 [0,2,0,0,0,0|1,0,0]=3 14214 B15R0.84 CCCCCCCCCCNC(F)C(=O)[O-] 34a_100000684558_100020610796 [0,2,0,0,0,0|1,0,0]=3 14215 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210320 [0,2,0,0,0,0|1,0,0]=3 14216 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210320 [0,2,0,0,0,0|1,0,0]=3 14217 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210320 [0,2,0,0,0,0|1,0,0]=3 14218 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210320 [0,2,0,0,0,0|1,0,0]=3 14219 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 7a_100000210711_100000179758 [0,2,0,0,0,0|1,0,0]=3 14220 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 34a_100000210711_100000702099 [0,2,0,0,0,0|1,0,0]=3 14221 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 7a_100000210711_100000702099 [0,2,0,0,0,0|1,0,0]=3 14222 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 34a_100000210711_100009813875 [0,2,0,0,0,0|1,0,0]=3 14223 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 7a_100000210711_100009813875 [0,2,0,0,0,0|1,0,0]=3 14224 B15R0.84 CCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210711_100020610796 [0,2,0,0,0,0|1,0,0]=3 14225 B15R0.84 CCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210320 [0,2,0,0,0,0|1,0,0]=3 14226 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210320 [0,2,0,0,0,0|1,0,0]=3 14227 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210320 [0,2,0,0,0,0|1,0,0]=3 14228 B15R0.84 CCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210320 [0,2,0,0,0,0|1,0,0]=3 14229 B15R0.84 CCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210320 [0,2,0,0,0,0|1,0,0]=3 14230 B15R0.84 CCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210320 [0,2,0,0,0,0|1,0,0]=3 14231 B15R0.84 CCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210320 [0,2,0,0,0,0|1,0,0]=3 14232 B15R0.84 CCCCCCCCCNCC(=O)C(=O)C 34a_100000212291_100011261029 [0,2,0,0,0,0|1,0,1]=4 14233 B15R0.84 CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210670 [0,2,0,0,0,0|1,0,0]=3 14234 B15R0.84 CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210670 [0,2,0,0,0,0|1,0,0]=3 14235 B15R0.84 CCCCCCCCCOCC(=O)C(=O)C 34a_100000210712_100011261029 [0,2,0,0,0,0|1,0,1]=4 14236 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011214924 [0,2,0,0,0,0|1,0,0]=3 14237 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210328 [0,2,0,0,0,0|1,0,0]=3 14238 B15R0.84 CCCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100011214924 [0,2,0,0,0,0|2,0,0]=4 14239 B15R0.84 CCCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210328 [0,2,0,0,0,0|2,0,0]=4 14240 B15R0.84 CCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011214924 [0,2,0,0,0,0|1,0,0]=3 14241 B15R0.84 CCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210670 [0,2,0,0,0,0|1,0,1]=4 14242 B15R0.84 C[C@@H](NCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813782 [0,2,0,0,0,0|2,0,0]=4 14243 B15R0.84 C[C@@H](NCCCCCCCCCO)C(=O)N 34a_100000119354_100009813782 [0,2,0,0,0,0|2,0,0]=4 14244 B15R0.84 C[C@@H](OCCCCCCCCCO)C(=O)N 34a_100000731257_100009813782 [0,2,0,0,0,0|2,0,0]=4 14245 B15R0.84 C[C@@H](OCCCCCCCCCO)C(=O)N 7a_100000731257_100009813782 [0,2,0,0,0,0|2,0,0]=4 14246 B15R0.84 C[C@H](NCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813782 [0,2,0,0,0,0|2,0,0]=4 14247 B15R0.84 C[C@H](OCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813782 [0,2,0,0,0,0|2,0,0]=4 14248 B15R0.84 NC(=O)C(F)NCCCCCCCCCO 2230a_100000078944_100009813875 [0,2,0,0,0,0|2,0,0]=4 14249 B15R0.84 NC(=O)C(F)NCCCCCCCCCO 34a_100000078944_100009813875 [0,2,0,0,0,0|2,0,0]=4 14250 B15R0.84 NC(=O)C(F)OCCCCCCCCCBr 34a_100009813782_100009813875 [0,2,0,0,0,0|2,0,0]=4 14251 B15R0.84 NC(=O)C(F)OCCCCCCCCCBr 7a_100009813782_100009813875 [0,2,0,0,0,0|2,0,0]=4 14252 B15R0.84 NC(=O)C(F)OCCCCCCCCCCl 34a_100009868337_100009813875 [0,2,0,0,0,0|2,0,0]=4 14253 B15R0.84 NC(=O)C(F)OCCCCCCCCCCl 7a_100009868337_100009813875 [0,2,0,0,0,0|2,0,0]=4 14254 B15R0.84 NC(=O)C(F)SCCCCCCCCCO 62a_100009813782_100009813875 [0,2,0,0,0,0|2,0,0]=4 14255 B15R0.84 NC(=O)C(F)SCCCCCCCCCO 62a_100009813875_100009813782 [0,2,0,0,0,0|2,0,0]=4 14256 B15R0.84 NC(=O)[C@@H](N)COCCCCCCCCO 34a_100000729942_100000033203 [0,2,0,0,0,0|2,0,0]=4 14257 B15R0.84 NCCCCCCCCCOC(F)C(=O)N 34a_100000078944_100009813875 [0,2,0,0,0,0|2,0,0]=4 14258 B15R0.84 NCCCCCCCCCOC(F)C(=O)[O-] 34a_100000078944_100020610796 [0,2,0,0,0,0|2,0,0]=4 14259 B15R0.84 O=C(O)C(F)CNCCCCCCCCO 269956a_100000084737_100000033203 [0,2,0,0,0,0|2,0,0]=4 14260 B15R0.84 O=C([O-])C(F)NCCCCCCCCCO 34a_100000078944_100020610796 [0,2,0,0,0,0|2,0,0]=4 14261 B15R0.84 O=C([O-])C(F)OCCCCCCCCCBr 34a_100009813782_100020610796 [0,2,0,0,0,0|2,0,0]=4 14262 B15R0.84 O=C([O-])C(F)OCCCCCCCCCCl 34a_100009868337_100020610796 [0,2,0,0,0,0|2,0,0]=4 14263 B15R0.84 O=C([O-])C(F)SCCCCCCCCCO 62a_100009813782_100020610796 [0,2,0,0,0,0|2,0,0]=4 14264 B15R0.84 O=C([O-])C(F)SCCCCCCCCCO 62a_100020610796_100009813782 [0,2,0,0,0,0|2,0,0]=4 14265 B15R0.209 C=CC(O)COCCCCC(C)CCCC 34a_200011021034_100000730141 [0,2,0,0,0,0|2,0,0]=4 14266 B15R0.209 C=CC(O)COCCCCC(C)CCCC 7a_200011021034_100000730141 [0,2,0,0,0,0|2,0,0]=4 14267 B15R0.247 C=CC(O)COCCCCCCCC(C)C 34a_200000210741_100000730141 [0,2,0,0,0,0|2,0,0]=4 14268 B15R0.247 C=CC(O)COCCCCCCCC(C)C 7a_200000210741_100000730141 [0,2,0,0,0,0|2,0,0]=4 14269 B15R0.247 CCC(C)CCCCCOCCCC(=O)C 7a_200000035636_100011215641 [0,2,0,0,0,0|1,0,0]=3 14270 B15R0.247 CCC(C)CCCCCOCCCC(=O)N 7a_200000035636_100102525003 [0,2,0,0,0,0|1,0,0]=3 14271 B15R0.247 CCC(C)CCCCCOCCNC(=O)C 7a_200000035636_100000189650 [0,2,0,0,0,0|2,0,0]=4 14272 B15R0.247 CCC(C)CCCCCOCCNC(=O)N 7a_200000035636_200000034859 [0,2,0,0,0,0|2,0,0]=4 14273 B15R0.247 CCC(C)CCCCCOCCOC(=O)C 7a_200000035636_100009814007 [0,2,0,0,0,0|2,0,0]=4 14274 B15R0.247 CCC(C)CCCCCOCCOC(=O)N 7a_200000035636_200011214921 [0,2,0,0,0,0|2,0,0]=4 14275 B15R0.247 CCC(C)CCCOCCCCCC(=O)N 7a_100011216074_100009817443 [0,2,0,0,0,0|1,0,0]=3 14276 B15R0.247 CCC(C)CCCOCCCCOC(=O)C 7a_100011216074_100000033659 [0,2,0,0,0,0|2,0,0]=4 14277 B15R0.247 CCC(C)CCCOCCCCSC(=O)C 7a_100011216074_200010402107 [0,2,0,0,0,0|2,0,0]=4 14278 B15R0.247 CCC(C)CCNCCCCCOC(=O)C 2230a_100020591266_100009813381 [0,2,0,0,0,0|2,0,0]=4 14279 B15R0.247 CCC(C)CCOCCCCCOC(=O)C 7a_100011215188_100000033007 [0,2,0,0,0,0|2,0,0]=4 14280 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 2230a_200011996284_100000748023 [0,2,0,0,0,0|2,0,0]=4 14281 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 270004a_200011996284_100000243153 [0,2,0,0,0,0|2,0,0]=4 14282 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 34a_200011996284_100000748023 [0,2,0,0,0,0|2,0,0]=4 14283 B15R0.247 CCC(C)CNCCCCCCSC(=O)C 270004a_100000704104_100000243153 [0,2,0,0,0,0|2,0,0]=4 14284 B15R0.247 CCC(O)CNCCCCCCNC(=O)C 2230a_200011996284_100011218378 [0,2,0,0,0,0|2,0,0]=4 14285 B15R0.247 CCC(O)CNCCCCCCNC(=O)C 34a_200011996284_100011218378 [0,2,0,0,0,0|2,0,0]=4 14286 B15R0.247 CCN(C)CCCOCCCCCC(=O)N 7a_100000123541_100015186262 [0,2,0,0,0,0|2,0,0]=4 14287 B15R0.247 CCN(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100015186262 [0,2,0,0,0,0|2,0,0]=4 14288 B15R0.247 CCN(C)CCCSCCCCCC(=O)N 62a_100009817443_100015186262 [0,2,0,0,0,0|2,0,0]=4 14289 B15R0.247 CC[C@H](C)CNCCCCCCNC(=O)C 2230a_200011996284_100009816398 [0,2,0,0,0,0|2,0,0]=4 14290 B15R0.247 CC[C@H](C)CNCCCCCCNC(=O)C 34a_200011996284_100009816398 [0,2,0,0,0,0|2,0,0]=4 14291 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100000070787_100009813843 [0,2,0,0,0,0|1,0,1]=4 14292 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100009997464_200000210301 [0,2,0,0,0,0|1,0,1]=4 14293 B15R0.247 COC(=O)CCCCCCCCCC(=O)[13CH3] 1458a_100009997464_200025704644 [0,2,0,0,0,0|1,0,1]=4 14294 B15R0.247 C[C@@H](CN)CCCOCCCCCC(=O)N 34a_100160569302_100009817443 [0,2,0,0,0,0|2,0,0]=4 14295 B15R0.253 C#CC(CC)OCCCCCCCCC=C 34a_100000758843_100011933949 [0,2,0,0,0,0|2,0,0]=4 14296 B15R0.253 C#CC(CC)OCCCCCCCCC=C 7a_100000758843_100011933949 [0,2,0,0,0,0|2,0,0]=4 14297 B15R0.253 C=CC(C=C)OCCCCCCCCCC 34a_100000033096_100000210320 [0,2,0,0,0,0|2,0,0]=4 14298 B15R0.253 C=CC(CC)OCCCCCCCCCC 34a_100000766422_100000210320 [0,2,0,0,0,0|2,0,0]=4 14299 B15R0.253 C=CC(CC)OCCCCCCCCCC 7a_100000766422_100000210320 [0,2,0,0,0,0|2,0,0]=4 14300 B15R0.253 C=CCCCCCCCCCN(CC)CC 2230a_100000724800_100009814027 [0,2,0,0,0,0|2,0,0]=4 14301 B15R0.253 C=CCCCCCCCCCN(CC)CC 269956a_100000042499_100009814027 [0,2,0,0,0,0|2,0,0]=4 14302 B15R0.253 C=CCCCCCCCCCN(CC)CC 269982a_100000724800_100009814027 [0,2,0,0,0,0|2,0,0]=4 14303 B15R0.253 C=CCCCCCCCCNC(CC)CC 2230a_100000199018_100011933949 [0,2,0,0,0,0|2,0,0]=4 14304 B15R0.253 C=CCCCCCCCCN[C@@H](CC)CO 2230a_100000709445_100011933949 [0,2,0,0,0,0|2,0,0]=4 14305 B15R0.253 C=CCCCCCCCCOC(C=C)CC 34a_100000766422_100011933949 [0,2,0,0,0,0|2,0,0]=4 14306 B15R0.253 C=CCCCCCCCCOC(C=C)CC 7a_100000766422_100011933949 [0,2,0,0,0,0|2,0,0]=4 14307 B15R0.253 C=CCCCCCCCCOC(CC)CC 7a_100000688536_100011933949 [0,2,0,0,0,0|2,0,0]=4 14308 B15R0.253 C=CCCCCCCCCOC(CC)CC 7a_100011215194_100000210505 [0,2,0,0,0,0|2,0,0]=4 14309 B15R0.253 C=CCCCCCCCCSC(CC)CC 62a_100000210505_100011933949 [0,2,0,0,0,0|2,0,0]=4 14310 B15R0.253 C=CCCCCCCCCSC(CC)CC 62a_100011933949_100000210505 [0,2,0,0,0,0|2,0,0]=4 14311 B15R0.253 C=CCCCCCCCNCC(CC)CC 2230a_100102946423_100012355270 [0,2,0,0,0,0|2,0,0]=4 14312 B15R0.253 C=CCCCCCCCOCC(CC)CC 34a_100000730831_100011215472 [0,2,0,0,0,0|2,0,0]=4 14313 B15R0.253 C=CCCCCCCCOCC(CC)CC 7a_100000703878_100012355270 [0,2,0,0,0,0|2,0,0]=4 14314 B15R0.253 C=CCCCCCCCOCC(CC)CC 7a_100000730831_100011215472 [0,2,0,0,0,0|2,0,0]=4 14315 B15R0.253 C=CCCCCCCCOCC(CC)OC 34a_100011934954_100012355270 [0,2,0,0,0,0|2,0,0]=4 14316 B15R0.253 C=CCCCCCCCOCC(CC)OC 7a_100011934954_100012355270 [0,2,0,0,0,0|2,0,0]=4 14317 B15R0.253 C=CCCCCCCCSCC(CC)CC 62a_100011215472_100012355270 [0,2,0,0,0,0|2,0,0]=4 14318 B15R0.253 C=CCCCCCCCSCC(CC)CC 62a_100012355270_100011215472 [0,2,0,0,0,0|2,0,0]=4 14319 B15R0.253 C=C[C@@H](CO)NCCCCCCCCCC 2230a_100016989147_100000210320 [0,2,0,0,0,0|2,0,0]=4 14320 B15R0.253 C=C[C@@H](CO)NCCCCCCCCCC 34a_100016989147_100000210320 [0,2,0,0,0,0|2,0,0]=4 14321 B15R0.253 CCCCCCCCCCCC(CC)NC 270004a_106832991635_100011216094 [0,2,0,0,0,0|1,0,1]=4 14322 B15R0.253 CCCCCCCCCCNC(C=O)C=O 2230a_100000684558_100000736813 [0,2,0,0,0,0|1,0,0]=3 14323 B15R0.253 CCCCCCCCCCNC(C=O)C=O 34a_100000684558_100000736813 [0,2,0,0,0,0|1,0,0]=3 14324 B15R0.253 CCCCCCCCCCOC(C=O)C=O 34a_100000210711_100000736813 [0,2,0,0,0,0|1,0,0]=3 14325 B15R0.253 CCCCCCCCCCSC(C=O)C=O 62a_100000736813_100000210320 [0,2,0,0,0,0|1,0,0]=3 14326 B15R0.253 CCN(CC)CCCCCNCCCC=O 2230a_100011491781_200011292268 [0,2,0,0,0,0|2,0,0]=4 14327 B15R0.253 CCN(CC)CCCCCOCCCC=O 7a_200011629222_200011292268 [0,2,0,0,0,0|2,0,0]=4 14328 B15R0.253 CCN(CC)CCCCNCCCCC=O 2230a_100000743895_100000139335 [0,2,0,0,0,0|2,0,0]=4 14329 B15R0.253 CCN(CC)CCCCOCCCCC=O 7a_100011305530_100000139335 [0,2,0,0,0,0|2,0,0]=4 14330 B15R0.253 CCN(CC)CCCOCCCCCC=O 7a_100000212844_100000139337 [0,2,0,0,0,0|2,0,0]=4 14331 B15R0.253 CCN(CC)CCCSCCCCCC=O 62a_100000139337_100000709985 [0,2,0,0,0,0|2,0,0]=4 14332 B15R0.253 COC(CCCSCCCCCC=O)OC 62a_100000069011_100000139337 [0,2,0,0,0,0|2,0,0]=4 14333 B15R0.253 COC(CCCSCCCCCC=O)OC 62a_100000139337_100000069011 [0,2,0,0,0,0|2,0,0]=4 14334 B15R0.253 NCCCCCCCCCOC(C=O)C=O 34a_100000078944_100000736813 [0,2,0,0,0,0|2,0,0]=4 14335 B15R0.253 O=CC(C=O)NCCCCCCCCCO 2230a_100000078944_100000736813 [0,2,0,0,0,0|2,0,0]=4 14336 B15R0.253 O=CC(C=O)NCCCCCCCCCO 34a_100000078944_100000736813 [0,2,0,0,0,0|2,0,0]=4 14337 B15R0.253 O=CC(C=O)OCCCCCCCCCBr 34a_100009813782_100000736813 [0,2,0,0,0,0|2,0,0]=4 14338 B15R0.253 O=CC(C=O)OCCCCCCCCCCl 34a_100009868337_100000736813 [0,2,0,0,0,0|2,0,0]=4 14339 B15R0.253 O=CC(C=O)SCCCCCCCCCO 62a_100000736813_100009813782 [0,2,0,0,0,0|2,0,0]=4 14340 B15R0.253 O=CC(C=O)SCCCCCCCCCO 62a_100009813782_100000736813 [0,2,0,0,0,0|2,0,0]=4 14341 B15R0.254 C=CC(C)(C)OCCCCCCCCCC 34a_100011215311_100000210320 [0,2,0,0,0,0|2,0,0]=4 14342 B15R0.254 C=CC(C)(C)OCCCCCCCCCC 7a_100011215311_100000210320 [0,2,0,0,0,0|2,0,0]=4 14343 B15R0.254 C=CC(F)(F)SCCCCCCCCCC 62a_100009814244_100000210320 [0,2,0,0,0,0|2,0,0]=4 14344 B15R0.254 C=CCCCCCCCCNC(C)(C)CC 2230a_100000211385_100011933949 [0,2,0,0,0,0|2,0,0]=4 14345 B15R0.254 C=CCCCCCCCCOC(C)(C)CC 7a_100000210230_100011933949 [0,2,0,0,0,0|2,0,0]=4 14346 B15R0.254 C=CCCCCCCCCOC(C)(C)CC 7a_100011215194_100000210677 [0,2,0,0,0,0|2,0,0]=4 14347 B15R0.254 C=CCCCCCCCCSC(C)(C)CC 62a_100000032637_100011933949 [0,2,0,0,0,0|2,0,0]=4 14348 B15R0.254 C=CCCCCCCCCSC(C)(C)CC 62a_100011933949_100000032637 [0,2,0,0,0,0|2,0,0]=4 14349 B15R0.254 C=CCCCCCCCOCC(C)(C)CC 7a_100000765029_100012355270 [0,2,0,0,0,0|2,0,0]=4 14350 B15R0.254 CC(C)(CO)CCCNCCCCCC=O 2230a_100000039164_100000139337 [0,2,0,0,0,0|2,0,0]=4 14351 B15R0.324 C=CC(C)C(=O)CCCCCCCCCC 1458a_100011216780_100000210319 [0,2,0,0,0,0|1,0,1]=4 14352 B15R0.324 C=CC(C)N(C)CCCCCCCCCC 269982a_100000207566_100011215867 [0,2,0,0,0,0|2,0,0]=4 14353 B15R0.324 C=CCCCCCCCCC(=O)C(C)CC 1458a_100000211349_100000758301 [0,2,0,0,0,0|1,0,1]=4 14354 B15R0.324 C=CCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100011933949 [0,2,0,0,0,0|1,0,1]=4 14355 B15R0.324 C=CCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100011933949 [0,2,0,0,0,0|1,0,1]=4 14356 B15R0.324 C=CCCCCCCCCN(C)C(C)CC 2230a_100000741768_100011933949 [0,2,0,0,0,0|2,0,0]=4 14357 B15R0.324 C=CCCCCCCCCN(C)C(C)CC 269982a_100000741768_100011933949 [0,2,0,0,0,0|2,0,0]=4 14358 B15R0.324 C=CCCCCCCCOC(C)C(C)CC 7a_100011215189_100012355270 [0,2,0,0,0,0|2,0,0]=4 14359 B15R0.324 C=C[C@@H](C)[C@@H](C)OCCCCCCCCC 34a_100015455354_100011214924 [0,2,0,0,0,0|2,0,0]=4 14360 B15R0.324 C=C[C@@H](C)[C@@H](C)OCCCCCCCCC 7a_100015455354_100000210328 [0,2,0,0,0,0|2,0,0]=4 14361 B15R0.366 C#CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000184674 [0,2,0,0,0,0|1,0,1]=4 14362 B15R0.366 C#CCC(=O)CCCCCCCCCCC 1458a_100011220946_100011215454 [0,2,0,0,0,0|1,0,1]=4 14363 B15R0.366 C#CCC(C)OCCCCCCCCCC 34a_100000685586_100000210320 [0,2,0,0,0,0|1,0,1]=4 14364 B15R0.366 C#CCC(C)OCCCCCCCCCC 7a_100000685586_100000210320 [0,2,0,0,0,0|1,0,1]=4 14365 B15R0.366 C#CCCCCCCCCOC(C)CCC 34a_100000065265_100000766640 [0,2,0,0,0,0|1,0,1]=4 14366 B15R0.366 C#CCCCCCCCCOC(C)CCC 7a_100000065265_100000766640 [0,2,0,0,0,0|1,0,1]=4 14367 B15R0.366 C#CCCCCCCCOCC(C)CCC 34a_100000054614_100011216630 [0,2,0,0,0,0|1,0,1]=4 14368 B15R0.366 C#CCCCCCCCOCC(C)CCC 34a_100000688023_100153394163 [0,2,0,0,0,0|1,0,1]=4 14369 B15R0.366 C#CCCCCCCCOCC(C)CCC 7a_100000054614_100011216630 [0,2,0,0,0,0|1,0,1]=4 14370 B15R0.366 C#CCCCCCCCOCC(C)CCC 7a_100000688023_100153394163 [0,2,0,0,0,0|1,0,1]=4 14371 B15R0.366 C#CCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100153394163 [0,2,0,0,0,0|1,0,1]=4 14372 B15R0.366 C#CCCCCCCCSCC(C)CCC 62a_100011216630_100153394163 [0,2,0,0,0,0|1,0,1]=4 14373 B15R0.366 C#CCCCCCCCSCC(C)CCC 62a_100153394163_100011216630 [0,2,0,0,0,0|1,0,1]=4 14374 B15R0.366 C#CCCCCCCOCCC(C)CCC 34a_100011217855_100012276617 [0,2,0,0,0,0|1,0,1]=4 14375 B15R0.366 C#CCCCCCCOCCC(C)CCC 7a_100011217855_100012276617 [0,2,0,0,0,0|1,0,1]=4 14376 B15R0.366 C#CCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100012276617 [0,2,0,0,0,0|1,0,1]=4 14377 B15R0.366 C#CCCCCCOCCCC(C)CCC 34a_100011713154_100012094781 [0,2,0,0,0,0|1,0,1]=4 14378 B15R0.366 C#CCCCCCOCCCC(C)CCC 7a_100011713154_100012094781 [0,2,0,0,0,0|1,0,1]=4 14379 B15R0.366 C#CCN(C)CCCCCCCCCCC 2230a_100000225692_100011215454 [0,2,0,0,0,0|1,0,1]=4 14380 B15R0.366 C#CCN(C)CCCCCCCCCCC 34a_100000225692_100011215454 [0,2,0,0,0,0|1,0,1]=4 14381 B15R0.366 C/C=C/C(C)OCCCCCCCCCC 34a_200102604097_100000210320 [0,2,0,0,0,0|1,0,1]=4 14382 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210193_100011215454 [0,2,0,0,0,0|1,0,0]=3 14383 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000210623 [0,2,0,0,0,0|1,0,0]=3 14384 B15R0.366 C=CCC(=O)CCCCCCCCCCO 1458a_100000210193_100009813290 [0,2,0,0,0,0|1,0,1]=4 14385 B15R0.366 C=CCC(=O)NCCCCCCCCCC 11a_100000684558_100000210193 [0,2,0,0,0,0|1,0,1]=4 14386 B15R0.366 C=CCC(=O)NCCCCCCCCCC 1626a_100000684558_100000210193 [0,2,0,0,0,0|1,0,1]=4 14387 B15R0.366 C=CCC(=O)NCCCCCCCCCC 240690a_100000684558_100000210193 [0,2,0,0,0,0|1,0,1]=4 14388 B15R0.366 C=CCC(=O)NCCCCCCCCCC 527a_100000684558_100000210193 [0,2,0,0,0,0|1,0,1]=4 14389 B15R0.366 C=CCC(C)COCCCCCCCCC 34a_100009832082_100011214924 [0,2,0,0,0,0|1,0,0]=3 14390 B15R0.366 C=CCC(C)COCCCCCCCCC 7a_100009832082_100000210328 [0,2,0,0,0,0|1,0,0]=3 14391 B15R0.366 C=CCC(C)COCCCCCCCCO 34a_100009832082_100000033203 [0,2,0,0,0,0|2,0,0]=4 14392 B15R0.366 C=CCC(C)COCCCCCCCCO 7a_100009832082_100000033203 [0,2,0,0,0,0|2,0,0]=4 14393 B15R0.366 C=CCCCCCCCCCC(=O)CCC 1458a_100000211992_100009814027 [0,2,0,0,0,0|1,0,0]=3 14394 B15R0.366 C=CCCCCCCCCCC(=O)CCO 1458a_100011216618_100009814027 [0,2,0,0,0,0|1,0,1]=4 14395 B15R0.366 C=CCCCCCCCCCC(=O)COC 1458a_100000210968_100009814027 [0,2,0,0,0,0|1,0,1]=4 14396 B15R0.366 C=CCCCCCCCCCC(=O)CSC 1458a_100000184570_100009814027 [0,2,0,0,0,0|1,0,1]=4 14397 B15R0.366 C=CCCCCCCCCCN(C)CCC 2230a_100000747261_100009814027 [0,2,0,0,0,0|1,0,0]=3 14398 B15R0.366 C=CCCCCCCCCCN(C)CCC 269982a_100000747261_100009814027 [0,2,0,0,0,0|1,0,0]=3 14399 B15R0.366 C=CCCCCCCCCCN(C)CCO 2230a_100000210263_100009814027 [0,2,0,0,0,0|2,0,0]=4 14400 B15R0.366 C=CCCCCCCCCCN(C)CCO 269982a_100000210263_100009814027 [0,2,0,0,0,0|2,0,0]=4 14401 B15R0.366 C=CCCCCCCCCNC(C)CCC 2230a_100000741246_100011933949 [0,2,0,0,0,0|1,0,0]=3 14402 B15R0.366 C=CCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100011933949 [0,2,0,0,0,0|2,0,0]=4 14403 B15R0.366 C=CCCCCCCCCN[C@H](C)CCO 34a_100000706166_100011933949 [0,2,0,0,0,0|2,0,0]=4 14404 B15R0.366 C=CCCCCCCCCN[C@H](C)COC 2230a_100000764878_100011933949 [0,2,0,0,0,0|2,0,0]=4 14405 B15R0.366 C=CCCCCCCCCOC(C)CCBr 34a_100012276601_100011933949 [0,2,0,0,0,0|2,0,0]=4 14406 B15R0.366 C=CCCCCCCCCOC(C)CCC 34a_100000764384_100011933949 [0,2,0,0,0,0|1,0,0]=3 14407 B15R0.366 C=CCCCCCCCCOC(C)CCC 34a_100011215194_100000766640 [0,2,0,0,0,0|1,0,0]=3 14408 B15R0.366 C=CCCCCCCCCOC(C)CCC 7a_100000764384_100011933949 [0,2,0,0,0,0|1,0,0]=3 14409 B15R0.366 C=CCCCCCCCCOC(C)CCC 7a_100011215194_100000766640 [0,2,0,0,0,0|1,0,0]=3 14410 B15R0.366 C=CCCCCCCCCOC(C)CCO 34a_100011215194_100009893172 [0,2,0,0,0,0|2,0,0]=4 14411 B15R0.366 C=CCCCCCCCCOC(C)CCO 7a_100011215194_100009893172 [0,2,0,0,0,0|2,0,0]=4 14412 B15R0.366 C=CCCCCCCCCOC(C)COC 34a_100011215194_100000765312 [0,2,0,0,0,0|2,0,0]=4 14413 B15R0.366 C=CCCCCCCCCOC(C)COC 7a_100011215194_100000765312 [0,2,0,0,0,0|2,0,0]=4 14414 B15R0.366 C=CCCCCCCCCO[C@H](C)COC 34a_100011934205_100011933949 [0,2,0,0,0,0|2,0,0]=4 14415 B15R0.366 C=CCCCCCCCCSC(C)CCC 62a_100000766640_100011933949 [0,2,0,0,0,0|1,0,0]=3 14416 B15R0.366 C=CCCCCCCCCSC(C)CCC 62a_100011933949_100000766640 [0,2,0,0,0,0|1,0,0]=3 14417 B15R0.366 C=CCCCCCCCCSC(C)CCO 62a_100009893172_100011933949 [0,2,0,0,0,0|2,0,0]=4 14418 B15R0.366 C=CCCCCCCCCSC(C)CCO 62a_100011933949_100009893172 [0,2,0,0,0,0|2,0,0]=4 14419 B15R0.366 C=CCCCCCCCCSC(C)COC 62a_100000765312_100011933949 [0,2,0,0,0,0|2,0,0]=4 14420 B15R0.366 C=CCCCCCCCCSC(C)COC 62a_100011933949_100000765312 [0,2,0,0,0,0|2,0,0]=4 14421 B15R0.366 C=CCCCCCCCNCC(O)COC 2230a_100000756049_100012355270 [0,2,0,0,0,0|2,0,0]=4 14422 B15R0.366 C=CCCCCCCCNCC(O)COC 34a_100000756049_100012355270 [0,2,0,0,0,0|2,0,0]=4 14423 B15R0.366 C=CCCCCCCCOCC(=O)CCC 7a_100000730831_100000747444 [0,2,0,0,0,0|1,0,1]=4 14424 B15R0.366 C=CCCCCCCCOCC(C)CCC 34a_100000688023_100012355270 [0,2,0,0,0,0|1,0,0]=3 14425 B15R0.366 C=CCCCCCCCOCC(C)CCC 34a_100000730831_100011216630 [0,2,0,0,0,0|1,0,0]=3 14426 B15R0.366 C=CCCCCCCCOCC(C)CCC 7a_100000688023_100012355270 [0,2,0,0,0,0|1,0,0]=3 14427 B15R0.366 C=CCCCCCCCOCC(C)CCC 7a_100000730831_100011216630 [0,2,0,0,0,0|1,0,0]=3 14428 B15R0.366 C=CCCCCCCCOCC(C)CCN 34a_106354213184_100012355270 [0,2,0,0,0,0|2,0,0]=4 14429 B15R0.366 C=CCCCCCCCOCC(N)COC 34a_100000724102_100012355270 [0,2,0,0,0,0|2,0,0]=4 14430 B15R0.366 C=CCCCCCCCOCC(O)COC 34a_100000730831_100011215053 [0,2,0,0,0,0|2,0,0]=4 14431 B15R0.366 C=CCCCCCCCOCC(O)COC 7a_100000730831_100011215053 [0,2,0,0,0,0|2,0,0]=4 14432 B15R0.366 C=CCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100012355270 [0,2,0,0,0,0|1,0,0]=3 14433 B15R0.366 C=CCCCCCCCSCC(=O)CCC 62a_100000747444_100012355270 [0,2,0,0,0,0|1,0,1]=4 14434 B15R0.366 C=CCCCCCCCSCC(=O)CCC 62a_100012355270_100000747444 [0,2,0,0,0,0|1,0,1]=4 14435 B15R0.366 C=CCCCCCCCSCC(C)CCC 62a_100011216630_100012355270 [0,2,0,0,0,0|1,0,0]=3 14436 B15R0.366 C=CCCCCCCCSCC(C)CCC 62a_100012355270_100011216630 [0,2,0,0,0,0|1,0,0]=3 14437 B15R0.366 C=CCCCCCCCSCC(O)COC 62a_100011215053_100012355270 [0,2,0,0,0,0|2,0,0]=4 14438 B15R0.366 C=CCCCCCCCSCC(O)COC 62a_100012355270_100011215053 [0,2,0,0,0,0|2,0,0]=4 14439 B15R0.366 C=CCCCCCCOCCC(C)CCC 34a_100011217855_100011215473 [0,2,0,0,0,0|1,0,0]=3 14440 B15R0.366 C=CCCCCCCOCCC(C)CCC 7a_100011217855_100011215473 [0,2,0,0,0,0|1,0,0]=3 14441 B15R0.366 C=CCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100011215473 [0,2,0,0,0,0|1,0,0]=3 14442 B15R0.366 C=CCCCCCOCCCC(C)CCC 34a_100011713154_100000700193 [0,2,0,0,0,0|1,0,0]=3 14443 B15R0.366 C=CCCCCCOCCCC(C)CCC 7a_100011713154_100000700193 [0,2,0,0,0,0|1,0,0]=3 14444 B15R0.366 C=CCN(C)CCCCCCCCCCC 2230a_100000225617_100011215454 [0,2,0,0,0,0|1,0,0]=3 14445 B15R0.366 C=CCN(C)CCCCCCCCCCC 269982a_100000225617_100011215454 [0,2,0,0,0,0|1,0,0]=3 14446 B15R0.366 C=CCN(C)CCCCCCCCCCO 2230a_100000225617_100009813290 [0,2,0,0,0,0|2,0,0]=4 14447 B15R0.366 C=CCN(C)CCCCCCCCCCO 269982a_100000225617_100009813290 [0,2,0,0,0,0|2,0,0]=4 14448 B15R0.366 C=CC[C@@H](C)OCCCCCCCCCC 34a_100000731007_100000210320 [0,2,0,0,0,0|1,0,0]=3 14449 B15R0.366 C=CC[C@@H](C)OCCCCCCCCCC 7a_100000731007_100000210320 [0,2,0,0,0,0|1,0,0]=3 14450 B15R0.366 C=CC[C@@H](C)OCCCCCCCCCO 34a_100000731007_100009813782 [0,2,0,0,0,0|2,0,0]=4 14451 B15R0.366 C=CC[C@@H](C)OCCCCCCCCCO 7a_100000731007_100009813782 [0,2,0,0,0,0|2,0,0]=4 14452 B15R0.366 C=CC[C@@H](N)COCCCCCCCCC 34a_100020615467_100011214924 [0,2,0,0,0,0|1,0,0]=3 14453 B15R0.366 C=CC[C@@H](N)COCCCCCCCCO 34a_100020615467_100000033203 [0,2,0,0,0,0|2,0,0]=4 14454 B15R0.366 CC=CC(=O)CCCCCCCCCCC 1458a_100000210699_100011215454 [0,2,0,0,0,0|1,0,1]=4 14455 B15R0.366 CCCC(=O)CCCCCCCCCCO 1458a_100000211992_100009813290 [0,2,0,0,0,0|0,0,2]=4 14456 B15R0.366 CCCC(C)CCCOCCCCCC#N 7a_100011713154_100009813376 [0,2,0,0,0,0|1,0,1]=4 14457 B15R0.366 CCCC(C)CCCOCCCCCC=O 7a_100011713154_100000139337 [0,2,0,0,0,0|0,0,0]=2 14458 B15R0.366 CCCC(C)CCCOCCCCCCF 34a_100011713154_100015922095 [0,2,0,0,0,0|1,0,1]=4 14459 B15R0.366 CCCC(C)CCCOCCCCCCF 7a_100011713154_100015922095 [0,2,0,0,0,0|1,0,1]=4 14460 B15R0.366 CCCC(C)CCCOCCCCCCO 34a_100011713154_100000766143 [0,2,0,0,0,0|0,0,2]=4 14461 B15R0.366 CCCC(C)CCCOCCCCCCO 7a_100011713154_100000766143 [0,2,0,0,0,0|0,0,2]=4 14462 B15R0.366 CCCC(C)CCOCCCCCCC#N 7a_100011217855_100009813337 [0,2,0,0,0,0|1,0,1]=4 14463 B15R0.366 CCCC(C)CCOCCCCCCCO 34a_100011217855_100000760002 [0,2,0,0,0,0|0,0,2]=4 14464 B15R0.366 CCCC(C)CCOCCCCCCCO 7a_100011217855_100000760002 [0,2,0,0,0,0|0,0,2]=4 14465 B15R0.366 CCCC(C)CCOCCCCCCOC 34a_100011217855_100011998445 [0,2,0,0,0,0|2,0,0]=4 14466 B15R0.366 CCCC(C)CCOCCCCCCOC 7a_100011217855_100011998445 [0,2,0,0,0,0|2,0,0]=4 14467 B15R0.366 CCCC(C)CNCCCCCCCCO 2230a_102515433106_100011216630 [0,2,0,0,0,0|0,0,2]=4 14468 B15R0.366 CCCC(C)CNCCCCCCCCO 270004a_102515433106_100000243154 [0,2,0,0,0,0|0,0,2]=4 14469 B15R0.366 CCCC(C)CNCCCCCCCCO 34a_102515433106_100011216630 [0,2,0,0,0,0|0,0,2]=4 14470 B15R0.366 CCCC(C)COCCCCCCCCBr 34a_100009813846_100011216630 [0,2,0,0,0,0|1,0,1]=4 14471 B15R0.366 CCCC(C)COCCCCCCCCBr 7a_100009813846_100011216630 [0,2,0,0,0,0|1,0,1]=4 14472 B15R0.366 CCCC(C)COCCCCCCCCCl 34a_100000033203_100011216630 [0,2,0,0,0,0|1,0,1]=4 14473 B15R0.366 CCCC(C)COCCCCCCCCCl 7a_100000033203_100011216630 [0,2,0,0,0,0|1,0,1]=4 14474 B15R0.366 CCCC(C)COCCCCCCCCN 34a_102515433106_100011216630 [0,2,0,0,0,0|1,0,1]=4 14475 B15R0.366 CCCC(C)COCCCCCCCCO 34a_100000688023_100000033203 [0,2,0,0,0,0|0,0,2]=4 14476 B15R0.366 CCCC(C)COCCCCCCCCO 7a_100000688023_100000033203 [0,2,0,0,0,0|0,0,2]=4 14477 B15R0.366 CCCC(C)CSCCCCCCCCO 62a_100000033203_100011216630 [0,2,0,0,0,0|0,0,2]=4 14478 B15R0.366 CCCC(C)CSCCCCCCCCO 62a_100011216630_100000033203 [0,2,0,0,0,0|0,0,2]=4 14479 B15R0.366 CCCC(C)NCCCCCCCCCO 2230a_100000078944_100000766640 [0,2,0,0,0,0|0,0,2]=4 14480 B15R0.366 CCCC(C)NCCCCCCCCCO 2230a_100000741246_100009813782 [0,2,0,0,0,0|0,0,2]=4 14481 B15R0.366 CCCC(C)NCCCCCCCCCO 270004a_100000078944_100000211909 [0,2,0,0,0,0|0,0,2]=4 14482 B15R0.366 CCCC(C)NCCCCCCCCCO 34a_100000078944_100000766640 [0,2,0,0,0,0|0,0,2]=4 14483 B15R0.366 CCCC(C)OCCCCCCCCCBr 34a_100009813782_100000766640 [0,2,0,0,0,0|1,0,1]=4 14484 B15R0.366 CCCC(C)OCCCCCCCCCBr 7a_100009813782_100000766640 [0,2,0,0,0,0|1,0,1]=4 14485 B15R0.366 CCCC(C)OCCCCCCCCCCl 34a_100009868337_100000766640 [0,2,0,0,0,0|1,0,1]=4 14486 B15R0.366 CCCC(C)OCCCCCCCCCCl 7a_100009868337_100000766640 [0,2,0,0,0,0|1,0,1]=4 14487 B15R0.366 CCCC(C)OCCCCCCCCCN 34a_100000078944_100000766640 [0,2,0,0,0,0|1,0,1]=4 14488 B15R0.366 CCCC(C)OCCCCCCCCCO 34a_100000764384_100009813782 [0,2,0,0,0,0|0,0,2]=4 14489 B15R0.366 CCCC(C)OCCCCCCCCCO 7a_100000764384_100009813782 [0,2,0,0,0,0|0,0,2]=4 14490 B15R0.366 CCCC(C)SCCCCCCCCCO 62a_100000766640_100009813782 [0,2,0,0,0,0|0,0,2]=4 14491 B15R0.366 CCCC(C)SCCCCCCCCCO 62a_100009813782_100000766640 [0,2,0,0,0,0|0,0,2]=4 14492 B15R0.366 CCCCCCCCCCCC(=O)C=CBr 1458a_100016273825_100011215454 [0,2,0,0,0,0|1,0,1]=4 14493 B15R0.366 CCCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100011215454 [0,2,0,0,0,0|1,0,1]=4 14494 B15R0.366 CCCCCCCCCCCC(=O)C=CI 1458a_100016256311_100011215454 [0,2,0,0,0,0|1,0,1]=4 14495 B15R0.366 CCCCCCCCCCCC(=O)CC#N 1458a_100000210736_100011214920 [0,2,0,0,0,0|1,0,1]=4 14496 B15R0.366 CCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100011215454 [0,2,0,0,0,0|1,0,1]=4 14497 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000210736_100000210303 [0,2,0,0,0,0|1,0,1]=4 14498 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000211992_100011215454 [0,2,0,0,0,0|1,0,1]=4 14499 B15R0.366 CCCCCCCCCCCC(=O)CCF 1458a_100000210736_100011217306 [0,2,0,0,0,0|1,0,1]=4 14500 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100000210736_100000211926 [0,2,0,0,0,0|0,0,2]=4 14501 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011215454 [0,2,0,0,0,0|0,0,2]=4 14502 B15R0.366 CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011215454 [0,2,0,0,0,0|2,0,0]=4 14503 B15R0.366 CCCCCCCCCCCC(=O)CSC 1458a_100000184570_100011215454 [0,2,0,0,0,0|2,0,0]=4 14504 B15R0.366 CCCCCCCCCCCC(C)NCC 270004a_100015525214_100011216755 [0,2,0,0,0,0|1,0,1]=4 14505 B15R0.366 CCCCCCCCCCCC(C)OCC 34a_100011217895_100000210202 [0,2,0,0,0,0|1,0,1]=4 14506 B15R0.366 CCCCCCCCCCCC(C)OCC 7a_100011217895_100000210202 [0,2,0,0,0,0|1,0,1]=4 14507 B15R0.366 CCCCCCCCCCCC(C)OCF 34a_100011217895_100015361967 [0,2,0,0,0,0|1,0,1]=4 14508 B15R0.366 CCCCCCCCCCCC(C)OCF 7a_100011217895_100015361967 [0,2,0,0,0,0|1,0,1]=4 14509 B15R0.366 CCCCCCCCCCCN(C)CC#N 2230a_100000748184_100011215454 [0,2,0,0,0,0|1,0,1]=4 14510 B15R0.366 CCCCCCCCCCCN(C)CCC 2230a_100000747261_100011215454 [0,2,0,0,0,0|1,0,1]=4 14511 B15R0.366 CCCCCCCCCCCN(C)CCC 269982a_100000747261_100011215454 [0,2,0,0,0,0|1,0,1]=4 14512 B15R0.366 CCCCCCCCCCCN(C)CCO 2230a_100000210263_100011215454 [0,2,0,0,0,0|0,0,2]=4 14513 B15R0.366 CCCCCCCCCCCN(C)CCO 269982a_100000210263_100011215454 [0,2,0,0,0,0|0,0,2]=4 14514 B15R0.366 CCCCCCCCCCNC(C)CC#N 2230a_100000684558_100009813641 [0,2,0,0,0,0|1,0,1]=4 14515 B15R0.366 CCCCCCCCCCNC(C)CCC 2230a_100000684558_100000766640 [0,2,0,0,0,0|1,0,1]=4 14516 B15R0.366 CCCCCCCCCCNC(C)CCC 2230a_100000741246_100000210320 [0,2,0,0,0,0|1,0,1]=4 14517 B15R0.366 CCCCCCCCCCNC(C)CCC 270004a_100000684558_100000211909 [0,2,0,0,0,0|1,0,1]=4 14518 B15R0.366 CCCCCCCCCCNC(C)CCC 34a_100000684558_100000766640 [0,2,0,0,0,0|1,0,1]=4 14519 B15R0.366 CCCCCCCCCCNC(C)CCO 2230a_100000684558_100009893172 [0,2,0,0,0,0|0,0,2]=4 14520 B15R0.366 CCCCCCCCCCNC(C)CCO 34a_100000684558_100009893172 [0,2,0,0,0,0|0,0,2]=4 14521 B15R0.366 CCCCCCCCCCNC(C)COC 2230a_100000684558_100000765312 [0,2,0,0,0,0|2,0,0]=4 14522 B15R0.366 CCCCCCCCCCNC(C)COC 270004a_100000684558_100000749346 [0,2,0,0,0,0|2,0,0]=4 14523 B15R0.366 CCCCCCCCCCNC(C)COC 34a_100000684558_100000765312 [0,2,0,0,0,0|2,0,0]=4 14524 B15R0.366 CCCCCCCCCCNC(C)CSC 270004a_100000684558_100011216314 [0,2,0,0,0,0|2,0,0]=4 14525 B15R0.366 CCCCCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210320 [0,2,0,0,0,0|1,0,1]=4 14526 B15R0.366 CCCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210320 [0,2,0,0,0,0|0,0,2]=4 14527 B15R0.366 CCCCCCCCCCN[C@H](C)CCO 34a_100000706166_100000210320 [0,2,0,0,0,0|0,0,2]=4 14528 B15R0.366 CCCCCCCCCCN[C@H](C)COC 2230a_100000764878_100000210320 [0,2,0,0,0,0|2,0,0]=4 14529 B15R0.366 CCCCCCCCCCOC(C)CC#N 7a_100000210711_100009813641 [0,2,0,0,0,0|1,0,1]=4 14530 B15R0.366 CCCCCCCCCCOC(C)CCBr 34a_100012276601_100000210320 [0,2,0,0,0,0|1,0,1]=4 14531 B15R0.366 CCCCCCCCCCOC(C)CCC 34a_100000210711_100000766640 [0,2,0,0,0,0|1,0,1]=4 14532 B15R0.366 CCCCCCCCCCOC(C)CCC 34a_100000764384_100000210320 [0,2,0,0,0,0|1,0,1]=4 14533 B15R0.366 CCCCCCCCCCOC(C)CCC 7a_100000210711_100000766640 [0,2,0,0,0,0|1,0,1]=4 14534 B15R0.366 CCCCCCCCCCOC(C)CCC 7a_100000764384_100000210320 [0,2,0,0,0,0|1,0,1]=4 14535 B15R0.366 CCCCCCCCCCOC(C)CCO 34a_100000210711_100009893172 [0,2,0,0,0,0|0,0,2]=4 14536 B15R0.366 CCCCCCCCCCOC(C)CCO 7a_100000210711_100009893172 [0,2,0,0,0,0|0,0,2]=4 14537 B15R0.366 CCCCCCCCCCOC(C)COC 34a_100000210711_100000765312 [0,2,0,0,0,0|2,0,0]=4 14538 B15R0.366 CCCCCCCCCCOC(C)COC 7a_100000210711_100000765312 [0,2,0,0,0,0|2,0,0]=4 14539 B15R0.366 CCCCCCCCCCO[C@H](C)COC 34a_100011934205_100000210320 [0,2,0,0,0,0|2,0,0]=4 14540 B15R0.366 CCCCCCCCCCSC(C)CC#N 62a_100009813641_100000210320 [0,2,0,0,0,0|1,0,1]=4 14541 B15R0.366 CCCCCCCCCCSC(C)CCO 62a_100009893172_100000210320 [0,2,0,0,0,0|0,0,2]=4 14542 B15R0.366 CCCCCCCCCCSC(C)COC 62a_100000765312_100000210320 [0,2,0,0,0,0|2,0,0]=4 14543 B15R0.366 CCCCCCCCCNCC(C)CCC 2230a_100000212291_100011216630 [0,2,0,0,0,0|1,0,1]=4 14544 B15R0.366 CCCCCCCCCNCC(C)CCC 270004a_100000212291_100000243154 [0,2,0,0,0,0|1,0,1]=4 14545 B15R0.366 CCCCCCCCCNCC(C)CCC 34a_100000212291_100011216630 [0,2,0,0,0,0|1,0,1]=4 14546 B15R0.366 CCCCCCCCCNCC(O)COC 2230a_100000756049_100011214924 [0,2,0,0,0,0|2,0,0]=4 14547 B15R0.366 CCCCCCCCCNCC(O)COC 34a_100000212291_100011215053 [0,2,0,0,0,0|2,0,0]=4 14548 B15R0.366 CCCCCCCCCNCC(O)COC 34a_100000756049_100011214924 [0,2,0,0,0,0|2,0,0]=4 14549 B15R0.366 CCCCCCCCCNC[C@@H](O)CC#N 2230a_100000212291_100000001066 [0,2,0,0,0,0|1,0,1]=4 14550 B15R0.366 CCCCCCCCCOCC(C)CCC 34a_100000210712_100011216630 [0,2,0,0,0,0|1,0,1]=4 14551 B15R0.366 CCCCCCCCCOCC(C)CCC 34a_100000688023_100011214924 [0,2,0,0,0,0|1,0,1]=4 14552 B15R0.366 CCCCCCCCCOCC(C)CCC 7a_100000210712_100011216630 [0,2,0,0,0,0|1,0,1]=4 14553 B15R0.366 CCCCCCCCCOCC(C)CCC 7a_100000688023_100000210328 [0,2,0,0,0,0|1,0,1]=4 14554 B15R0.366 CCCCCCCCCOCC(C)CCN 34a_106354213184_100011214924 [0,2,0,0,0,0|1,0,1]=4 14555 B15R0.366 CCCCCCCCCOCC(N)COC 34a_100000724102_100011214924 [0,2,0,0,0,0|2,0,0]=4 14556 B15R0.366 CCCCCCCCCOCC(O)COC 34a_100000210712_100011215053 [0,2,0,0,0,0|2,0,0]=4 14557 B15R0.366 CCCCCCCCCOCC(O)COC 7a_100000210712_100011215053 [0,2,0,0,0,0|2,0,0]=4 14558 B15R0.366 CCCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100011214924 [0,2,0,0,0,0|1,0,1]=4 14559 B15R0.366 CCCCCCCCCOC[C@@H](O)CC#N 7a_100000210712_100000001066 [0,2,0,0,0,0|1,0,1]=4 14560 B15R0.366 CCCCCCCCCSCC(C)CCC 62a_100011216630_100000210670 [0,2,0,0,0,0|1,0,1]=4 14561 B15R0.366 CCCCCCCCCSCC(O)COC 62a_100011215053_100000210670 [0,2,0,0,0,0|2,0,0]=4 14562 B15R0.366 CCCCCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210670 [0,2,0,0,0,0|1,0,1]=4 14563 B15R0.366 CCCCCCCCOCCC(C)CCC 34a_100011217855_100000210759 [0,2,0,0,0,0|1,0,1]=4 14564 B15R0.366 CCCCCCCCOCCC(C)CCC 7a_100011217855_100000210759 [0,2,0,0,0,0|1,0,1]=4 14565 B15R0.366 CCCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210759 [0,2,0,0,0,0|1,0,1]=4 14566 B15R0.366 CCCCCCCOCCCC(C)CCC 34a_100011713154_100000210614 [0,2,0,0,0,0|1,0,1]=4 14567 B15R0.366 CCCCCCCOCCCC(C)CCC 7a_100011713154_100000210614 [0,2,0,0,0,0|1,0,1]=4 14568 B15R0.366 CCCN(C)CCCCCCCCCCO 2230a_100000747261_100009813290 [0,2,0,0,0,0|0,0,2]=4 14569 B15R0.366 CCCN(C)CCCCCCCCCCO 269982a_100000747261_100009813290 [0,2,0,0,0,0|0,0,2]=4 14570 B15R0.366 CCC[C@H](N)CCOCCCCCCCO 34a_100015193777_100000760002 [0,2,0,0,0,0|0,0,2]=4 14571 B15R0.366 CCC[C@H](N)CCOCCCCCCOC 34a_100015193777_100011998445 [0,2,0,0,0,0|2,0,0]=4 14572 B15R0.366 CCC[C@H](N)COCCCCCCCCO 34a_100000732646_100000033203 [0,2,0,0,0,0|0,0,2]=4 14573 B15R0.366 CCOC(=O)CCCCCCCSCC=O 62a_200015260668_100009991516 [0,2,0,0,0,0|1,0,1]=4 14574 B15R0.366 CCOC(=O)CCCCCOCCCC=O 7a_100011214988_200011292268 [0,2,0,0,0,0|1,0,1]=4 14575 B15R0.366 CCOC(=O)CCCCCSCCCC=O 62a_100000755133_200011292268 [0,2,0,0,0,0|1,0,1]=4 14576 B15R0.366 CCOC(=O)CCCCCSCCCC=O 62a_200011292268_100000755133 [0,2,0,0,0,0|1,0,1]=4 14577 B15R0.366 CCOC(=O)CCCCSCCCCC=O 62a_100000139335_100000750268 [0,2,0,0,0,0|1,0,1]=4 14578 B15R0.366 CCOC(=O)CCCCSCCCCC=O 62a_100000750268_100000139335 [0,2,0,0,0,0|1,0,1]=4 14579 B15R0.366 CCOC(=O)CCCOCCCCCC=O 7a_100012001163_100000139337 [0,2,0,0,0,0|1,0,1]=4 14580 B15R0.366 CCOC(=O)CCCSCCCCCC=O 62a_100000139337_100009991533 [0,2,0,0,0,0|1,0,1]=4 14581 B15R0.366 CCOC(=O)CCCSCCCCCC=O 62a_100009991533_100000139337 [0,2,0,0,0,0|1,0,1]=4 14582 B15R0.3221 C=CC(C)CC(=O)CCCCCCCCC 1458a_100011934298_100000210670 [0,2,0,0,0,0|1,0,1]=4 14583 B15R0.3221 C=CC(O)CN(C)CCCCCCCCC 2230a_100000232482_100000730141 [0,2,0,0,0,0|2,0,0]=4 14584 B15R0.3221 C=CCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100012355270 [0,2,0,0,0,0|1,0,1]=4 14585 B15R0.3221 C=CCCCCCCCC(=O)CC(C)CC 1458a_100011216160_100000748023 [0,2,0,0,0,0|1,0,1]=4 14586 B15R0.3221 C=CCCCCCCCC(=O)CC(O)CC 1458a_100011216160_100011218378 [0,2,0,0,0,0|1,0,1]=4 14587 B15R0.3221 C=CCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100012355270 [0,2,0,0,0,0|1,0,1]=4 14588 B15R0.3221 C=CCCCCCCCC(=O)C[C@@H](C)CC 1458a_100011216160_100009816398 [0,2,0,0,0,0|1,0,1]=4 14589 B15R0.3221 C=CCCCCCCCN(C)CC(C)CC 2230a_100000753921_100012355270 [0,2,0,0,0,0|2,0,0]=4 14590 B15R0.3221 C=CCCCCCCCN(C)CC(C)CC 269982a_100000753921_100012355270 [0,2,0,0,0,0|2,0,0]=4 14591 B15R0.3221 C=CCCCCCCNC(C)CC(C)CC 2230a_100000763565_100011215473 [0,2,0,0,0,0|2,0,0]=4 14592 B15R0.70 C#CCCCCCCCCCCOCC=C 34a_100000054667_100015514636 [0,2,0,0,0,0|1,0,1]=4 14593 B15R0.70 C#CCCCCCCCCCCOCC=C 7a_100000054667_100015514636 [0,2,0,0,0,0|1,0,1]=4 14594 B15R0.70 C#CCCCCCCCCCCOCC=O 34a_100000054667_200009817547 [0,2,0,0,0,0|0,0,1]=3 14595 B15R0.70 C#CCCCCCCCCCCOCC=O 7a_100000054667_200015260668 [0,2,0,0,0,0|0,0,1]=3 14596 B15R0.70 C#CCCCCCCCCCCOCCC 34a_100000054667_100000210303 [0,2,0,0,0,0|1,0,1]=4 14597 B15R0.70 C#CCCCCCCCCCCOCCC 7a_100000054667_100000210303 [0,2,0,0,0,0|1,0,1]=4 14598 B15R0.70 C#CCCCCCCCCCCOCCF 34a_100000054667_100011217306 [0,2,0,0,0,0|1,0,1]=4 14599 B15R0.70 C#CCCCCCCCCCCOCCF 7a_100000054667_100011217306 [0,2,0,0,0,0|1,0,1]=4 14600 B15R0.70 C#CCCCCCCCCCCOCCO 34a_100000054667_100000211926 [0,2,0,0,0,0|1,0,1]=4 14601 B15R0.70 C#CCCCCCCCCCCOCCO 7a_100000054667_100000211926 [0,2,0,0,0,0|1,0,1]=4 14602 B15R0.70 C#CCCCCCCCCCCOCSC 34a_100000054667_100011218213 [0,2,0,0,0,0|1,0,1]=4 14603 B15R0.70 C#CCCCCCCCCCOCCC=C 34a_100000034437_100000754431 [0,2,0,0,0,0|1,0,1]=4 14604 B15R0.70 C#CCCCCCCCCCOCCC=C 7a_100000034437_100000754431 [0,2,0,0,0,0|1,0,1]=4 14605 B15R0.70 C#CCCCCCCCCCOCCCC 34a_100000034437_100000210210 [0,2,0,0,0,0|1,0,1]=4 14606 B15R0.70 C#CCCCCCCCCCOCCCC 7a_100000034437_100000210211 [0,2,0,0,0,0|1,0,1]=4 14607 B15R0.70 C#CCCCCCCCCCOCCCF 34a_100000034437_100011934791 [0,2,0,0,0,0|1,0,1]=4 14608 B15R0.70 C#CCCCCCCCCCOCCCF 7a_100000034437_100011934791 [0,2,0,0,0,0|1,0,1]=4 14609 B15R0.70 C#CCCCCCCCCCOCCCO 34a_100000034437_100000230001 [0,2,0,0,0,0|1,0,1]=4 14610 B15R0.70 C#CCCCCCCCCCOCCCO 7a_100000034437_100011215043 [0,2,0,0,0,0|1,0,1]=4 14611 B15R0.70 C#CCCCCCCCCCOCCOC 34a_100000034437_100011201679 [0,2,0,0,0,0|1,0,1]=4 14612 B15R0.70 C#CCCCCCCCCCOCCOC 7a_100000034437_100000233755 [0,2,0,0,0,0|1,0,1]=4 14613 B15R0.70 C#CCCCCCCCCCOCCSC 34a_100000034437_100000212216 [0,2,0,0,0,0|1,0,1]=4 14614 B15R0.70 C#CCCCCCCCCCOCCSC 7a_100000034437_100000212216 [0,2,0,0,0,0|1,0,1]=4 14615 B15R0.70 C#CCCCCCCCCOCCCC=C 34a_100000065265_100000757094 [0,2,0,0,0,0|1,0,1]=4 14616 B15R0.70 C#CCCCCCCCCOCCCC=C 7a_100000065265_100000757094 [0,2,0,0,0,0|1,0,1]=4 14617 B15R0.70 C#CCCCCCCCCOCCCC=O 7a_100000065265_200011292268 [0,2,0,0,0,0|0,0,1]=3 14618 B15R0.70 C#CCCCCCCCCOCCCCC 34a_100000065265_100000718602 [0,2,0,0,0,0|1,0,1]=4 14619 B15R0.70 C#CCCCCCCCCOCCCCC 7a_100000065265_100000210326 [0,2,0,0,0,0|1,0,1]=4 14620 B15R0.70 C#CCCCCCCCCOCCCCF 34a_100000065265_100000729493 [0,2,0,0,0,0|1,0,1]=4 14621 B15R0.70 C#CCCCCCCCCOCCCCF 7a_100000065265_100000729493 [0,2,0,0,0,0|1,0,1]=4 14622 B15R0.70 C#CCCCCCCCCOCCCCO 34a_100000065265_100011216708 [0,2,0,0,0,0|1,0,1]=4 14623 B15R0.70 C#CCCCCCCCCOCCCCO 7a_100000065265_100000210776 [0,2,0,0,0,0|1,0,1]=4 14624 B15R0.70 C#CCCCCCCCCOCCCOC 34a_100000065265_100000740836 [0,2,0,0,0,0|1,0,1]=4 14625 B15R0.70 C#CCCCCCCCCOCCCOC 7a_100000065265_100000740836 [0,2,0,0,0,0|1,0,1]=4 14626 B15R0.70 C#CCCCCCCCCOCCOCC 34a_100000065265_100000210147 [0,2,0,0,0,0|1,0,1]=4 14627 B15R0.70 C#CCCCCCCCCOCCOCC 7a_100000065265_100011215890 [0,2,0,0,0,0|1,0,1]=4 14628 B15R0.70 C#CCCCCCCCCOCCSCC 34a_100000065265_100000757381 [0,2,0,0,0,0|1,0,1]=4 14629 B15R0.70 C#CCCCCCCCCOCCSCC 7a_100000065265_100000757381 [0,2,0,0,0,0|1,0,1]=4 14630 B15R0.70 C#CCCCCCCCNCCCCC=C 2230a_100000703577_100153394163 [0,2,0,0,0,0|1,0,1]=4 14631 B15R0.70 C#CCCCCCCCNCCCCC=C 34a_100000703577_100153394163 [0,2,0,0,0,0|1,0,1]=4 14632 B15R0.70 C#CCCCCCCCNCCCCCC 2230a_100000210581_100153394163 [0,2,0,0,0,0|1,0,1]=4 14633 B15R0.70 C#CCCCCCCCNCCCCCO 2230a_100000762737_100153394163 [0,2,0,0,0,0|1,0,1]=4 14634 B15R0.70 C#CCCCCCCCNCCCCCO 34a_100000762737_100153394163 [0,2,0,0,0,0|1,0,1]=4 14635 B15R0.70 C#CCCCCCCCNCCCOCC 2230a_100000210961_100153394163 [0,2,0,0,0,0|1,0,1]=4 14636 B15R0.70 C#CCCCCCCCNCCCOCC 34a_100000210961_100153394163 [0,2,0,0,0,0|1,0,1]=4 14637 B15R0.70 C#CCCCCCCCNCCOCCC 2230a_100161115042_100153394163 [0,2,0,0,0,0|1,0,1]=4 14638 B15R0.70 C#CCCCCCCCNCCOCCC 34a_100161115042_100153394163 [0,2,0,0,0,0|1,0,1]=4 14639 B15R0.70 C#CCCCCCCCNCCSCCC 2230a_100020603323_100153394163 [0,2,0,0,0,0|1,0,1]=4 14640 B15R0.70 C#CCCCCCCCOCCCCC=C 34a_100000054614_100011215482 [0,2,0,0,0,0|1,0,1]=4 14641 B15R0.70 C#CCCCCCCCOCCCCC=C 34a_100000766645_100153394163 [0,2,0,0,0,0|1,0,1]=4 14642 B15R0.70 C#CCCCCCCCOCCCCC=C 7a_100000054614_100011215482 [0,2,0,0,0,0|1,0,1]=4 14643 B15R0.70 C#CCCCCCCCOCCCCC=C 7a_100000766645_100153394163 [0,2,0,0,0,0|1,0,1]=4 14644 B15R0.70 C#CCCCCCCCOCCCCC=O 7a_100000054614_100000139335 [0,2,0,0,0,0|0,0,1]=3 14645 B15R0.70 C#CCCCCCCCOCCCCCBr 34a_100000746331_100153394163 [0,2,0,0,0,0|1,0,1]=4 14646 B15R0.70 C#CCCCCCCCOCCCCCBr 7a_100000746331_100153394163 [0,2,0,0,0,0|1,0,1]=4 14647 B15R0.70 C#CCCCCCCCOCCCCCC 34a_100000054614_100000210314 [0,2,0,0,0,0|1,0,1]=4 14648 B15R0.70 C#CCCCCCCCOCCCCCC 34a_100000210259_100153394163 [0,2,0,0,0,0|1,0,1]=4 14649 B15R0.70 C#CCCCCCCCOCCCCCC 7a_100000054614_100000210314 [0,2,0,0,0,0|1,0,1]=4 14650 B15R0.70 C#CCCCCCCCOCCCCCC 7a_100000210259_100153394163 [0,2,0,0,0,0|1,0,1]=4 14651 B15R0.70 C#CCCCCCCCOCCCCCCl 34a_100000746330_100153394163 [0,2,0,0,0,0|1,0,1]=4 14652 B15R0.70 C#CCCCCCCCOCCCCCCl 7a_100000746330_100153394163 [0,2,0,0,0,0|1,0,1]=4 14653 B15R0.70 C#CCCCCCCCOCCCCCF 34a_100000054614_100000729378 [0,2,0,0,0,0|1,0,1]=4 14654 B15R0.70 C#CCCCCCCCOCCCCCF 7a_100000054614_100000729378 [0,2,0,0,0,0|1,0,1]=4 14655 B15R0.70 C#CCCCCCCCOCCCCCI 34a_200012148887_100153394163 [0,2,0,0,0,0|1,0,1]=4 14656 B15R0.70 C#CCCCCCCCOCCCCCI 7a_200012148887_100153394163 [0,2,0,0,0,0|1,0,1]=4 14657 B15R0.70 C#CCCCCCCCOCCCCCN 34a_100000762737_100153394163 [0,2,0,0,0,0|1,0,1]=4 14658 B15R0.70 C#CCCCCCCCOCCCCCO 34a_100000054614_100000746330 [0,2,0,0,0,0|1,0,1]=4 14659 B15R0.70 C#CCCCCCCCOCCCCCO 7a_100000054614_100000746330 [0,2,0,0,0,0|1,0,1]=4 14660 B15R0.70 C#CCCCCCCCOCCCCOC 34a_100000054614_100000755781 [0,2,0,0,0,0|1,0,1]=4 14661 B15R0.70 C#CCCCCCCCOCCCCOC 34a_100000740925_100153394163 [0,2,0,0,0,0|1,0,1]=4 14662 B15R0.70 C#CCCCCCCCOCCCCOC 7a_100000054614_100000730899 [0,2,0,0,0,0|1,0,1]=4 14663 B15R0.70 C#CCCCCCCCOCCCCSC 34a_100011217163_100153394163 [0,2,0,0,0,0|1,0,1]=4 14664 B15R0.70 C#CCCCCCCCOCCCCSC 7a_100011217163_100153394163 [0,2,0,0,0,0|1,0,1]=4 14665 B15R0.70 C#CCCCCCCCOCCCOCC 34a_100000054614_100012232248 [0,2,0,0,0,0|1,0,1]=4 14666 B15R0.70 C#CCCCCCCCOCCCOCC 34a_100000757476_100153394163 [0,2,0,0,0,0|1,0,1]=4 14667 B15R0.70 C#CCCCCCCCOCCCOCC 7a_100000054614_100012232248 [0,2,0,0,0,0|1,0,1]=4 14668 B15R0.70 C#CCCCCCCCOCCCOCC 7a_100000757476_100153394163 [0,2,0,0,0,0|1,0,1]=4 14669 B15R0.70 C#CCCCCCCCOCCCSCC 34a_100011216438_100153394163 [0,2,0,0,0,0|1,0,1]=4 14670 B15R0.70 C#CCCCCCCCOCCCSCC 7a_100011216438_100153394163 [0,2,0,0,0,0|1,0,1]=4 14671 B15R0.70 C#CCCCCCCCOCCOCCC 34a_100000054614_100011215938 [0,2,0,0,0,0|1,0,1]=4 14672 B15R0.70 C#CCCCCCCCOCCOCCC 34a_100000752267_100153394163 [0,2,0,0,0,0|1,0,1]=4 14673 B15R0.70 C#CCCCCCCCOCCOCCC 7a_100000054614_100011215938 [0,2,0,0,0,0|1,0,1]=4 14674 B15R0.70 C#CCCCCCCCOCCOCCC 7a_100000752267_100153394163 [0,2,0,0,0,0|1,0,1]=4 14675 B15R0.70 C#CCCCCCCCOCCSCCC 34a_200000230433_100153394163 [0,2,0,0,0,0|1,0,1]=4 14676 B15R0.70 C#CCCCCCCCOCCSCCC 7a_200000230433_100153394163 [0,2,0,0,0,0|1,0,1]=4 14677 B15R0.70 C#CCCCCCCCOCOCCCC 34a_100000054614_100011995733 [0,2,0,0,0,0|1,0,1]=4 14678 B15R0.70 C#CCCCCCCCSCCCCC=C 62a_100011215482_100153394163 [0,2,0,0,0,0|1,0,1]=4 14679 B15R0.70 C#CCCCCCCCSCCCCC=C 62a_100153394163_100011215482 [0,2,0,0,0,0|1,0,1]=4 14680 B15R0.70 C#CCCCCCCCSCCCCC=O 62a_100000139335_100153394163 [0,2,0,0,0,0|0,0,1]=3 14681 B15R0.70 C#CCCCCCCCSCCCCC=O 62a_100153394163_100000139335 [0,2,0,0,0,0|0,0,1]=3 14682 B15R0.70 C#CCCCCCCCSCCCCCC 62a_100000210314_100153394163 [0,2,0,0,0,0|1,0,1]=4 14683 B15R0.70 C#CCCCCCCCSCCCCCC 62a_100153394163_100000210757 [0,2,0,0,0,0|1,0,1]=4 14684 B15R0.70 C#CCCCCCCCSCCCCCF 62a_100000729378_100153394163 [0,2,0,0,0,0|1,0,1]=4 14685 B15R0.70 C#CCCCCCCCSCCCCCF 62a_100153394163_100000729378 [0,2,0,0,0,0|1,0,1]=4 14686 B15R0.70 C#CCCCCCCCSCCCCCO 62a_100000746330_100153394163 [0,2,0,0,0,0|1,0,1]=4 14687 B15R0.70 C#CCCCCCCCSCCCCCO 62a_100153394163_100000746330 [0,2,0,0,0,0|1,0,1]=4 14688 B15R0.70 C#CCCCCCCCSCCCCOC 62a_100000730899_100153394163 [0,2,0,0,0,0|1,0,1]=4 14689 B15R0.70 C#CCCCCCCCSCCCCOC 62a_100153394163_100000730899 [0,2,0,0,0,0|1,0,1]=4 14690 B15R0.70 C#CCCCCCCCSCCCOCC 62a_100012232248_100153394163 [0,2,0,0,0,0|1,0,1]=4 14691 B15R0.70 C#CCCCCCCCSCCCOCC 62a_100153394163_100012232248 [0,2,0,0,0,0|1,0,1]=4 14692 B15R0.70 C#CCCCCCCCSCCOCCC 62a_100011215938_100153394163 [0,2,0,0,0,0|1,0,1]=4 14693 B15R0.70 C#CCCCCCCCSCCOCCC 62a_100153394163_100011215938 [0,2,0,0,0,0|1,0,1]=4 14694 B15R0.70 C#CCCCCCCCSCOCCCC 62a_100011995733_100153394163 [0,2,0,0,0,0|1,0,1]=4 14695 B15R0.70 C#CCCCCCCCSCOCCCC 62a_100153394163_100011995733 [0,2,0,0,0,0|1,0,1]=4 14696 B15R0.70 C#CCCCCCCNCCCCCCC 2230a_100000229938_100012276617 [0,2,0,0,0,0|1,0,1]=4 14697 B15R0.70 C#CCCCCCCNCCCCCCO 2230a_100000686447_100012276617 [0,2,0,0,0,0|1,0,1]=4 14698 B15R0.70 C#CCCCCCCNCCCCCCO 34a_100000686447_100012276617 [0,2,0,0,0,0|1,0,1]=4 14699 B15R0.70 C#CCCCCCCNCCCCCOC 2230a_100000747528_100012276617 [0,2,0,0,0,0|1,0,1]=4 14700 B15R0.70 C#CCCCCCCNCCCCCOC 34a_100000747528_100012276617 [0,2,0,0,0,0|1,0,1]=4 14701 B15R0.70 C#CCCCCCCNCCCOCCC 2230a_100011217757_100012276617 [0,2,0,0,0,0|1,0,1]=4 14702 B15R0.70 C#CCCCCCCNCCCOCCC 34a_100011217757_100012276617 [0,2,0,0,0,0|1,0,1]=4 14703 B15R0.70 C#CCCCCCCNCCSCCCC 2230a_100025743550_100012276617 [0,2,0,0,0,0|1,0,1]=4 14704 B15R0.70 C#CCCCCCCOCCCCCC=C 34a_100011216702_100012276617 [0,2,0,0,0,0|1,0,1]=4 14705 B15R0.70 C#CCCCCCCOCCCCCC=C 34a_100011217361_100000700193 [0,2,0,0,0,0|1,0,1]=4 14706 B15R0.70 C#CCCCCCCOCCCCCC=C 7a_100011216702_100012276617 [0,2,0,0,0,0|1,0,1]=4 14707 B15R0.70 C#CCCCCCCOCCCCCC=C 7a_100011217361_100000700193 [0,2,0,0,0,0|1,0,1]=4 14708 B15R0.70 C#CCCCCCCOCCCCCC=O 7a_100011217361_100000139337 [0,2,0,0,0,0|0,0,1]=3 14709 B15R0.70 C#CCCCCCCOCCCCCCBr 34a_100011215345_100012276617 [0,2,0,0,0,0|1,0,1]=4 14710 B15R0.70 C#CCCCCCCOCCCCCCBr 7a_100011215345_100012276617 [0,2,0,0,0,0|1,0,1]=4 14711 B15R0.70 C#CCCCCCCOCCCCCCC 34a_100000210272_100012276617 [0,2,0,0,0,0|1,0,1]=4 14712 B15R0.70 C#CCCCCCCOCCCCCCC 34a_100011217361_100000210614 [0,2,0,0,0,0|1,0,1]=4 14713 B15R0.70 C#CCCCCCCOCCCCCCC 7a_100000210272_100012276617 [0,2,0,0,0,0|1,0,1]=4 14714 B15R0.70 C#CCCCCCCOCCCCCCC 7a_100011217361_100000210614 [0,2,0,0,0,0|1,0,1]=4 14715 B15R0.70 C#CCCCCCCOCCCCCCCl 34a_100000766143_100012276617 [0,2,0,0,0,0|1,0,1]=4 14716 B15R0.70 C#CCCCCCCOCCCCCCCl 7a_100000766143_100012276617 [0,2,0,0,0,0|1,0,1]=4 14717 B15R0.70 C#CCCCCCCOCCCCCCF 34a_100000732779_100012276617 [0,2,0,0,0,0|1,0,1]=4 14718 B15R0.70 C#CCCCCCCOCCCCCCF 34a_100011217361_100015922095 [0,2,0,0,0,0|1,0,1]=4 14719 B15R0.70 C#CCCCCCCOCCCCCCF 7a_100000732779_100012276617 [0,2,0,0,0,0|1,0,1]=4 14720 B15R0.70 C#CCCCCCCOCCCCCCF 7a_100011217361_100015922095 [0,2,0,0,0,0|1,0,1]=4 14721 B15R0.70 C#CCCCCCCOCCCCCCN 34a_100000686447_100012276617 [0,2,0,0,0,0|1,0,1]=4 14722 B15R0.70 C#CCCCCCCOCCCCCCO 34a_100011217361_100000766143 [0,2,0,0,0,0|1,0,1]=4 14723 B15R0.70 C#CCCCCCCOCCCCCCO 7a_100011217361_100000766143 [0,2,0,0,0,0|1,0,1]=4 14724 B15R0.70 C#CCCCCCCOCCCCCNC 34a_100000722520_100012276617 [0,2,0,0,0,0|1,0,1]=4 14725 B15R0.70 C#CCCCCCCOCCOCCCC 34a_100000210238_100012276617 [0,2,0,0,0,0|1,0,1]=4 14726 B15R0.70 C#CCCCCCCOCCOCCCC 34a_100011217361_100000743108 [0,2,0,0,0,0|1,0,1]=4 14727 B15R0.70 C#CCCCCCCOCCOCCCC 7a_100000210238_100012276617 [0,2,0,0,0,0|1,0,1]=4 14728 B15R0.70 C#CCCCCCCOCCOCCCC 7a_100011217361_100000743108 [0,2,0,0,0,0|1,0,1]=4 14729 B15R0.70 C#CCCCCCCOCCSCCCC 34a_200000230436_100012276617 [0,2,0,0,0,0|1,0,1]=4 14730 B15R0.70 C#CCCCCCCOCCSCCCC 7a_200000230436_100012276617 [0,2,0,0,0,0|1,0,1]=4 14731 B15R0.70 C#CCCCCCCSCCCCCC=C 62a_100000700193_100012276617 [0,2,0,0,0,0|1,0,1]=4 14732 B15R0.70 C#CCCCCCCSCCCCCC=C 62a_100012276617_100000700193 [0,2,0,0,0,0|1,0,1]=4 14733 B15R0.70 C#CCCCCCCSCCCCCC=O 62a_100000139337_100012276617 [0,2,0,0,0,0|0,0,1]=3 14734 B15R0.70 C#CCCCCCCSCCCCCC=O 62a_100012276617_100000139337 [0,2,0,0,0,0|0,0,1]=3 14735 B15R0.70 C#CCCCCCCSCCCCCCC 62a_100000210614_100012276617 [0,2,0,0,0,0|1,0,1]=4 14736 B15R0.70 C#CCCCCCCSCCCCCCC 62a_100012276617_100000210316 [0,2,0,0,0,0|1,0,1]=4 14737 B15R0.70 C#CCCCCCCSCCCCCCF 62a_100012276617_100015922095 [0,2,0,0,0,0|1,0,1]=4 14738 B15R0.70 C#CCCCCCCSCCCCCCF 62a_100015922095_100012276617 [0,2,0,0,0,0|1,0,1]=4 14739 B15R0.70 C#CCCCCCCSCCCCCCO 62a_100000766143_100012276617 [0,2,0,0,0,0|1,0,1]=4 14740 B15R0.70 C#CCCCCCCSCCCCCCO 62a_100012276617_100000766143 [0,2,0,0,0,0|1,0,1]=4 14741 B15R0.70 C#CCCCCCCSCCOCCCC 62a_100000743108_100012276617 [0,2,0,0,0,0|1,0,1]=4 14742 B15R0.70 C#CCCCCCCSCCOCCCC 62a_100012276617_100000743108 [0,2,0,0,0,0|1,0,1]=4 14743 B15R0.70 C#CCCCCCNCCCCCCCC 2230a_100000229939_100012094781 [0,2,0,0,0,0|1,0,1]=4 14744 B15R0.70 C#CCCCCCNCCCCCCCC 34a_100000229939_100012094781 [0,2,0,0,0,0|1,0,1]=4 14745 B15R0.70 C#CCCCCCNCCCCCCCO 2230a_100011996573_100012094781 [0,2,0,0,0,0|1,0,1]=4 14746 B15R0.70 C#CCCCCCNCCCCCCCO 34a_100011996573_100012094781 [0,2,0,0,0,0|1,0,1]=4 14747 B15R0.70 C#CCCCCCNCCCOCCCC 2230a_200000211371_100012094781 [0,2,0,0,0,0|1,0,1]=4 14748 B15R0.70 C#CCCCCCNCCCOCCCC 34a_200000211371_100012094781 [0,2,0,0,0,0|1,0,1]=4 14749 B15R0.70 C#CCCCCCOCCCCCCC=C 34a_100000766912_100011215473 [0,2,0,0,0,0|1,0,1]=4 14750 B15R0.70 C#CCCCCCOCCCCCCC=C 34a_200011216477_100012094781 [0,2,0,0,0,0|1,0,1]=4 14751 B15R0.70 C#CCCCCCOCCCCCCC=C 7a_100000766912_100011215473 [0,2,0,0,0,0|1,0,1]=4 14752 B15R0.70 C#CCCCCCOCCCCCCC=C 7a_200011216477_100012094781 [0,2,0,0,0,0|1,0,1]=4 14753 B15R0.70 C#CCCCCCOCCCCCCCBr 34a_100000760002_100012094781 [0,2,0,0,0,0|1,0,1]=4 14754 B15R0.70 C#CCCCCCOCCCCCCCBr 7a_100000760002_100012094781 [0,2,0,0,0,0|1,0,1]=4 14755 B15R0.70 C#CCCCCCOCCCCCCCC 34a_100000210232_100012094781 [0,2,0,0,0,0|1,0,1]=4 14756 B15R0.70 C#CCCCCCOCCCCCCCC 34a_100000766912_100000210759 [0,2,0,0,0,0|1,0,1]=4 14757 B15R0.70 C#CCCCCCOCCCCCCCC 7a_100000210232_100012094781 [0,2,0,0,0,0|1,0,1]=4 14758 B15R0.70 C#CCCCCCOCCCCCCCC 7a_100000766912_100000210759 [0,2,0,0,0,0|1,0,1]=4 14759 B15R0.70 C#CCCCCCOCCCCCCCN 34a_100011996573_100012094781 [0,2,0,0,0,0|1,0,1]=4 14760 B15R0.70 C#CCCCCCOCCCCCCCO 34a_100000766912_100000760002 [0,2,0,0,0,0|1,0,1]=4 14761 B15R0.70 C#CCCCCCOCCCCCCCO 7a_100000766912_100000760002 [0,2,0,0,0,0|1,0,1]=4 14762 B15R0.70 C#CCCCCCOCCCCCCOC 34a_100000766912_100011998445 [0,2,0,0,0,0|1,0,1]=4 14763 B15R0.70 C#CCCCCCOCCCCCCOC 34a_200012092642_100012094781 [0,2,0,0,0,0|1,0,1]=4 14764 B15R0.70 C#CCCCCCOCCCCCCOC 7a_100000766912_100011998445 [0,2,0,0,0,0|1,0,1]=4 14765 B15R0.70 C#CCCCCCOCCCCCCOC 7a_200012092642_100012094781 [0,2,0,0,0,0|1,0,1]=4 14766 B15R0.70 C#CCCCCCOCCCOCCCC 34a_200011215613_100012094781 [0,2,0,0,0,0|1,0,1]=4 14767 B15R0.70 C#CCCCCCOCCCOCCCC 7a_200011215613_100012094781 [0,2,0,0,0,0|1,0,1]=4 14768 B15R0.70 C#CCCCCCOCCNCCCCC 34a_100000224656_100012094781 [0,2,0,0,0,0|1,0,1]=4 14769 B15R0.70 C#CCCCCCOCCOCCCCC 34a_100011215259_100012094781 [0,2,0,0,0,0|1,0,1]=4 14770 B15R0.70 C#CCCCCCOCCOCCCCC 7a_100011215259_100012094781 [0,2,0,0,0,0|1,0,1]=4 14771 B15R0.70 C#CCCCCCSCCCCCCC=C 62a_100011215473_100012094781 [0,2,0,0,0,0|1,0,1]=4 14772 B15R0.70 C#CCCCCCSCCCCCCC=C 62a_100012094781_100011215473 [0,2,0,0,0,0|1,0,1]=4 14773 B15R0.70 C#CCCCCCSCCCCCCCC 62a_100000210759_100012094781 [0,2,0,0,0,0|1,0,1]=4 14774 B15R0.70 C#CCCCCCSCCCCCCCC 62a_100012094781_100000210317 [0,2,0,0,0,0|1,0,1]=4 14775 B15R0.70 C#CCCCCCSCCCCCCCO 62a_100000760002_100012094781 [0,2,0,0,0,0|1,0,1]=4 14776 B15R0.70 C#CCCCCCSCCCCCCCO 62a_100012094781_100000760002 [0,2,0,0,0,0|1,0,1]=4 14777 B15R0.70 C#CCCCCCSCCCCCCOC 62a_100011998445_100012094781 [0,2,0,0,0,0|1,0,1]=4 14778 B15R0.70 C#CCCCCCSCCCCCCOC 62a_100012094781_100011998445 [0,2,0,0,0,0|1,0,1]=4 14779 B15R0.70 C#CCCCCNCCCCCCCC=C 2230a_100000706060_100012355270 [0,2,0,0,0,0|1,0,1]=4 14780 B15R0.70 C#CCCCCNCCCCCCCC=C 34a_100000706060_100012355270 [0,2,0,0,0,0|1,0,1]=4 14781 B15R0.70 C#CCCCCNCCCCCCCCC 2230a_100000212291_100010269958 [0,2,0,0,0,0|1,0,1]=4 14782 B15R0.70 C#CCCCCNCCCCCCCCC 2230a_100000706060_100011214924 [0,2,0,0,0,0|1,0,1]=4 14783 B15R0.70 C#CCCCCNCCCCCCCCC 34a_100000212291_100010269958 [0,2,0,0,0,0|1,0,1]=4 14784 B15R0.70 C#CCCCCNCCCCCCCCC 34a_100000706060_100011214924 [0,2,0,0,0,0|1,0,1]=4 14785 B15R0.70 C#CCCCCNCCCCCCCCO 2230a_100000706060_100000033203 [0,2,0,0,0,0|1,0,1]=4 14786 B15R0.70 C#CCCCCNCCCCCCCCO 2230a_102515433106_100010269958 [0,2,0,0,0,0|1,0,1]=4 14787 B15R0.70 C#CCCCCNCCCCCCCCO 34a_100000706060_100000033203 [0,2,0,0,0,0|1,0,1]=4 14788 B15R0.70 C#CCCCCNCCCCCCCCO 34a_102515433106_100010269958 [0,2,0,0,0,0|1,0,1]=4 14789 B15R0.70 C#CCCCCOCCCCCCCC=C 34a_100000730831_100010269958 [0,2,0,0,0,0|1,0,1]=4 14790 B15R0.70 C#CCCCCOCCCCCCCC=C 34a_100000766709_100012355270 [0,2,0,0,0,0|1,0,1]=4 14791 B15R0.70 C#CCCCCOCCCCCCCC=C 7a_100000730831_100010269958 [0,2,0,0,0,0|1,0,1]=4 14792 B15R0.70 C#CCCCCOCCCCCCCC=C 7a_100000766709_100012355270 [0,2,0,0,0,0|1,0,1]=4 14793 B15R0.70 C#CCCCCOCCCCCCCCBr 34a_100009813846_100010269958 [0,2,0,0,0,0|1,0,1]=4 14794 B15R0.70 C#CCCCCOCCCCCCCCBr 7a_100009813846_100010269958 [0,2,0,0,0,0|1,0,1]=4 14795 B15R0.70 C#CCCCCOCCCCCCCCC 34a_100000210712_100010269958 [0,2,0,0,0,0|1,0,1]=4 14796 B15R0.70 C#CCCCCOCCCCCCCCC 34a_100000766709_100011214924 [0,2,0,0,0,0|1,0,1]=4 14797 B15R0.70 C#CCCCCOCCCCCCCCC 7a_100000210712_100010269958 [0,2,0,0,0,0|1,0,1]=4 14798 B15R0.70 C#CCCCCOCCCCCCCCC 7a_100000766709_100000210328 [0,2,0,0,0,0|1,0,1]=4 14799 B15R0.70 C#CCCCCOCCCCCCCCCl 34a_100000033203_100010269958 [0,2,0,0,0,0|1,0,1]=4 14800 B15R0.70 C#CCCCCOCCCCCCCCCl 7a_100000033203_100010269958 [0,2,0,0,0,0|1,0,1]=4 14801 B15R0.70 C#CCCCCOCCCCCCCCN 34a_102515433106_100010269958 [0,2,0,0,0,0|1,0,1]=4 14802 B15R0.70 C#CCCCCOCCCCCCCCO 34a_100000766709_100000033203 [0,2,0,0,0,0|1,0,1]=4 14803 B15R0.70 C#CCCCCOCCCCCCCCO 7a_100000766709_100000033203 [0,2,0,0,0,0|1,0,1]=4 14804 B15R0.70 C#CCCCCOCCCCNCCCC 34a_200011216965_100010269958 [0,2,0,0,0,0|1,0,1]=4 14805 B15R0.70 C#CCCCCOCCCCOCCCC 34a_200000760531_100010269958 [0,2,0,0,0,0|1,0,1]=4 14806 B15R0.70 C#CCCCCOCCCCOCCCC 7a_200000760531_100010269958 [0,2,0,0,0,0|1,0,1]=4 14807 B15R0.70 C#CCCCCOCCOCCCCCC 34a_100000691444_100010269958 [0,2,0,0,0,0|1,0,1]=4 14808 B15R0.70 C#CCCCCOCCOCCCCCC 7a_100000691444_100010269958 [0,2,0,0,0,0|1,0,1]=4 14809 B15R0.70 C#CCCCCSCCCCCCCC=C 62a_100010269958_100012355270 [0,2,0,0,0,0|1,0,1]=4 14810 B15R0.70 C#CCCCCSCCCCCCCC=C 62a_100012355270_100010269958 [0,2,0,0,0,0|1,0,1]=4 14811 B15R0.70 C#CCCCCSCCCCCCCCC 62a_100010269958_100000210670 [0,2,0,0,0,0|1,0,1]=4 14812 B15R0.70 C#CCCCCSCCCCCCCCO 62a_100000033203_100010269958 [0,2,0,0,0,0|1,0,1]=4 14813 B15R0.70 C#CCCCCSCCCCCCCCO 62a_100010269958_100000033203 [0,2,0,0,0,0|1,0,1]=4 14814 B15R0.70 C#CCCCNCCCCCCCCC=C 34a_100000718082_100011933949 [0,2,0,0,0,0|1,0,1]=4 14815 B15R0.70 C#CCCCNCCCCCCCCCC 2230a_100000684558_100000731252 [0,2,0,0,0,0|1,0,1]=4 14816 B15R0.70 C#CCCCNCCCCCCCCCC 34a_100000684558_100000695029 [0,2,0,0,0,0|1,0,1]=4 14817 B15R0.70 C#CCCCNCCCCCCCCCC 34a_100000718082_100000210320 [0,2,0,0,0,0|1,0,1]=4 14818 B15R0.70 C#CCCCNCCCCCCCCCO 2230a_100000078944_100000731252 [0,2,0,0,0,0|1,0,1]=4 14819 B15R0.70 C#CCCCNCCCCCCCCCO 34a_100000078944_100000695029 [0,2,0,0,0,0|1,0,1]=4 14820 B15R0.70 C#CCCCNCCCCCCCCCO 34a_100000718082_100009813782 [0,2,0,0,0,0|1,0,1]=4 14821 B15R0.70 C#CCCCOCCCCCCCCC=C 34a_100000215630_100011933949 [0,2,0,0,0,0|1,0,1]=4 14822 B15R0.70 C#CCCCOCCCCCCCCC=C 34a_100011215194_100000695029 [0,2,0,0,0,0|1,0,1]=4 14823 B15R0.70 C#CCCCOCCCCCCCCC=C 7a_100000215630_100011933949 [0,2,0,0,0,0|1,0,1]=4 14824 B15R0.70 C#CCCCOCCCCCCCCC=C 7a_100011215194_100011215417 [0,2,0,0,0,0|1,0,1]=4 14825 B15R0.70 C#CCCCOCCCCCCCCCBr 34a_100009813782_100000695029 [0,2,0,0,0,0|1,0,1]=4 14826 B15R0.70 C#CCCCOCCCCCCCCCBr 7a_100009813782_100011215417 [0,2,0,0,0,0|1,0,1]=4 14827 B15R0.70 C#CCCCOCCCCCCCCCC 34a_100000210711_100000695029 [0,2,0,0,0,0|1,0,1]=4 14828 B15R0.70 C#CCCCOCCCCCCCCCC 34a_100000215630_100000210320 [0,2,0,0,0,0|1,0,1]=4 14829 B15R0.70 C#CCCCOCCCCCCCCCC 7a_100000210711_100011215417 [0,2,0,0,0,0|1,0,1]=4 14830 B15R0.70 C#CCCCOCCCCCCCCCC 7a_100000215630_100000210320 [0,2,0,0,0,0|1,0,1]=4 14831 B15R0.70 C#CCCCOCCCCCCCCCCl 34a_100009868337_100000695029 [0,2,0,0,0,0|1,0,1]=4 14832 B15R0.70 C#CCCCOCCCCCCCCCCl 7a_100009868337_100011215417 [0,2,0,0,0,0|1,0,1]=4 14833 B15R0.70 C#CCCCOCCCCCCCCCN 34a_100000078944_100000695029 [0,2,0,0,0,0|1,0,1]=4 14834 B15R0.70 C#CCCCOCCCCCCCCCO 34a_100000215630_100009813782 [0,2,0,0,0,0|1,0,1]=4 14835 B15R0.70 C#CCCCOCCCCCCCCCO 7a_100000215630_100009813782 [0,2,0,0,0,0|1,0,1]=4 14836 B15R0.70 C#CCCCSCCCCCCCCC=C 62a_100011215417_100011933949 [0,2,0,0,0,0|1,0,1]=4 14837 B15R0.70 C#CCCCSCCCCCCCCC=C 62a_100011933949_100011215417 [0,2,0,0,0,0|1,0,1]=4 14838 B15R0.70 C#CCCCSCCCCCCCCCC 62a_100011215417_100000210320 [0,2,0,0,0,0|1,0,1]=4 14839 B15R0.70 C#CCCCSCCCCCCCCCO 62a_100009813782_100011215417 [0,2,0,0,0,0|1,0,1]=4 14840 B15R0.70 C#CCCCSCCCCCCCCCO 62a_100011215417_100009813782 [0,2,0,0,0,0|1,0,1]=4 14841 B15R0.70 C#CCCNCCCCCCCCCC=C 2230a_100000081888_100000688953 [0,2,0,0,0,0|1,0,1]=4 14842 B15R0.70 C#CCCNCCCCCCCCCC=C 34a_100000081888_100000688953 [0,2,0,0,0,0|1,0,1]=4 14843 B15R0.70 C#CCCNCCCCCCCCCC=C 34a_100000755551_100009814027 [0,2,0,0,0,0|1,0,1]=4 14844 B15R0.70 C#CCCNCCCCCCCCCCC 2230a_200011215754_100000688953 [0,2,0,0,0,0|1,0,1]=4 14845 B15R0.70 C#CCCNCCCCCCCCCCC 34a_100000755551_100011215454 [0,2,0,0,0,0|1,0,1]=4 14846 B15R0.70 C#CCCNCCCCCCCCCCC 34a_200011215754_100000688953 [0,2,0,0,0,0|1,0,1]=4 14847 B15R0.70 C#CCCNCCCCCCCCCCO 2230a_100000066964_100000688953 [0,2,0,0,0,0|1,0,1]=4 14848 B15R0.70 C#CCCNCCCCCCCCCCO 34a_100000066964_100000688953 [0,2,0,0,0,0|1,0,1]=4 14849 B15R0.70 C#CCCNCCCCCCCCCCO 34a_100000755551_100009813290 [0,2,0,0,0,0|1,0,1]=4 14850 B15R0.70 C#CCCOCCCCCCCCCC=C 34a_100000038209_100000688953 [0,2,0,0,0,0|1,0,1]=4 14851 B15R0.70 C#CCCOCCCCCCCCCC=C 34a_100011215631_100009814027 [0,2,0,0,0,0|1,0,1]=4 14852 B15R0.70 C#CCCOCCCCCCCCCC=C 7a_100000038209_100000688953 [0,2,0,0,0,0|1,0,1]=4 14853 B15R0.70 C#CCCOCCCCCCCCCCBr 34a_100009813290_100000688953 [0,2,0,0,0,0|1,0,1]=4 14854 B15R0.70 C#CCCOCCCCCCCCCCBr 7a_100009813290_100000688953 [0,2,0,0,0,0|1,0,1]=4 14855 B15R0.70 C#CCCOCCCCCCCCCCC 34a_100000210809_100000688953 [0,2,0,0,0,0|1,0,1]=4 14856 B15R0.70 C#CCCOCCCCCCCCCCC 34a_100011215631_100011215454 [0,2,0,0,0,0|1,0,1]=4 14857 B15R0.70 C#CCCOCCCCCCCCCCC 7a_100000210809_100000688953 [0,2,0,0,0,0|1,0,1]=4 14858 B15R0.70 C#CCCOCCCCCCCCCCCl 34a_200000033068_100000688953 [0,2,0,0,0,0|1,0,1]=4 14859 B15R0.70 C#CCCOCCCCCCCCCCCl 7a_200000033068_100000688953 [0,2,0,0,0,0|1,0,1]=4 14860 B15R0.70 C#CCCOCCCCCCCCCCN 34a_100000066964_100000688953 [0,2,0,0,0,0|1,0,1]=4 14861 B15R0.70 C#CCCOCCCCCCCCCCO 34a_100011215631_100009813290 [0,2,0,0,0,0|1,0,1]=4 14862 B15R0.70 C#CCCSCCCCCCCCCC=C 62a_100000688953_100009814027 [0,2,0,0,0,0|1,0,1]=4 14863 B15R0.70 C#CCCSCCCCCCCCCC=C 62a_100009814027_100000688953 [0,2,0,0,0,0|1,0,1]=4 14864 B15R0.70 C#CCCSCCCCCCCCCCC 62a_100000688953_100011215454 [0,2,0,0,0,0|1,0,1]=4 14865 B15R0.70 C#CCCSCCCCCCCCCCO 62a_100000688953_200000033068 [0,2,0,0,0,0|1,0,1]=4 14866 B15R0.70 C#CCCSCCCCCCCCCCO 62a_100009813290_100000688953 [0,2,0,0,0,0|1,0,1]=4 14867 B15R0.70 C#CCNCCCCCCCCCCC=C 34a_100000212058_100011093070 [0,2,0,0,0,0|1,0,1]=4 14868 B15R0.70 C#CCNCCCCCCCCCCCC 2230a_100000210451_100000038162 [0,2,0,0,0,0|1,0,1]=4 14869 B15R0.70 C#CCNCCCCCCCCCCCC 34a_100000210451_100000184674 [0,2,0,0,0,0|1,0,1]=4 14870 B15R0.70 C#CCNCCCCCCCCCCCC 34a_100000212058_100000759014 [0,2,0,0,0,0|1,0,1]=4 14871 B15R0.70 C#CCNCCCCCCCCCCCO 34a_100000212058_100009812471 [0,2,0,0,0,0|1,0,1]=4 14872 B15R0.70 C#CCOCCCCCCCCCCC=C 34a_100000210247_100011093070 [0,2,0,0,0,0|1,0,1]=4 14873 B15R0.70 C#CCOCCCCCCCCCCCBr 34a_100009812471_100000184674 [0,2,0,0,0,0|1,0,1]=4 14874 B15R0.70 C#CCOCCCCCCCCCCCBr 7a_100009812471_100000038162 [0,2,0,0,0,0|1,0,1]=4 14875 B15R0.70 C#CCOCCCCCCCCCCCC 34a_100000210247_100000759014 [0,2,0,0,0,0|1,0,1]=4 14876 B15R0.70 C#CCOCCCCCCCCCCCC 34a_100000210810_100000184674 [0,2,0,0,0,0|1,0,1]=4 14877 B15R0.70 C#CCOCCCCCCCCCCCC 7a_100000210810_100000038162 [0,2,0,0,0,0|1,0,1]=4 14878 B15R0.70 C#CCOCCCCCCCCCCCO 34a_100000210247_100009812471 [0,2,0,0,0,0|1,0,1]=4 14879 B15R0.70 C#CCOCCCCCCCCCOCC 34a_100009875440_100000184674 [0,2,0,0,0,0|1,0,1]=4 14880 B15R0.70 C#CCOCCCCCCCCCOCC 7a_100009875440_100000038162 [0,2,0,0,0,0|1,0,1]=4 14881 B15R0.70 C#CCOCCCCCCOCCCC=O 7a_200011021349_200011292268 [0,2,0,0,0,0|0,0,2]=4 14882 B15R0.70 C#CCOCCCCCCOCCCCC 34a_200011021349_100000718602 [0,2,0,0,0,0|1,0,1]=4 14883 B15R0.70 C#CCOCCCCCCOCCCCC 7a_200011021349_100000210326 [0,2,0,0,0,0|1,0,1]=4 14884 B15R0.70 C#CCOCCNCCCCCCCCC 2230a_100000212291_100010402529 [0,2,0,0,0,0|1,0,1]=4 14885 B15R0.70 C#CCOCCNCCCCCCCCC 2230a_100000700922_100011214924 [0,2,0,0,0,0|1,0,1]=4 14886 B15R0.70 C#CCOCCNCCCCCCCCC 34a_100000212291_100010402529 [0,2,0,0,0,0|1,0,1]=4 14887 B15R0.70 C#CCOCCNCCCCCCCCC 34a_100000700922_100011214924 [0,2,0,0,0,0|1,0,1]=4 14888 B15R0.70 C#CCOCCOCCCCCCCCC 34a_100000054580_100011214924 [0,2,0,0,0,0|1,0,1]=4 14889 B15R0.70 C#CCOCCOCCCCCCCCC 34a_100000210712_100010402529 [0,2,0,0,0,0|1,0,1]=4 14890 B15R0.70 C#CCOCCOCCCCCCCCC 7a_100000054580_100000210328 [0,2,0,0,0,0|1,0,1]=4 14891 B15R0.70 C#CCOCCOCCCCCCCCC 7a_100000210712_100010402529 [0,2,0,0,0,0|1,0,1]=4 14892 B15R0.70 C#CCOCCSCCCCCCCCC 62a_100010402529_100000210670 [0,2,0,0,0,0|1,0,1]=4 14893 B15R0.70 C#CCSCCCCCCCCCCC=C 62a_100000038162_100011093070 [0,2,0,0,0,0|1,0,1]=4 14894 B15R0.70 C#CCSCCCCCCCCCCCC 62a_100000038162_100000759014 [0,2,0,0,0,0|1,0,1]=4 14895 B15R0.70 C/C=C/CCOCCCCCCCCCC 34a_100016278192_100000210320 [0,2,0,0,0,0|1,0,0]=3 14896 B15R0.70 C/C=C/CCOCCCCCCCCCO 34a_100016278192_100009813782 [0,2,0,0,0,0|1,0,1]=4 14897 B15R0.70 C/C=C/CNCCCCCCCCCCC 34a_200011215754_100102629194 [0,2,0,0,0,0|1,0,0]=3 14898 B15R0.70 C/C=C/CNCCCCCCCCCCO 34a_100000066964_100102629194 [0,2,0,0,0,0|1,0,1]=4 14899 B15R0.70 C/C=C/COCCCCCCCCCCBr 34a_100009813290_100102629194 [0,2,0,0,0,0|1,0,1]=4 14900 B15R0.70 C/C=C/COCCCCCCCCCCBr 7a_100009813290_100102629194 [0,2,0,0,0,0|1,0,1]=4 14901 B15R0.70 C/C=C/COCCCCCCCCCCC 34a_100000210809_100102629194 [0,2,0,0,0,0|1,0,0]=3 14902 B15R0.70 C/C=C/COCCCCCCCCCCC 34a_100016270725_100011215454 [0,2,0,0,0,0|1,0,0]=3 14903 B15R0.70 C/C=C/COCCCCCCCCCCC 7a_100000210809_100102629194 [0,2,0,0,0,0|1,0,0]=3 14904 B15R0.70 C/C=C/COCCCCCCCCCCCl 34a_200000033068_100102629194 [0,2,0,0,0,0|1,0,1]=4 14905 B15R0.70 C/C=C/COCCCCCCCCCCCl 7a_200000033068_100102629194 [0,2,0,0,0,0|1,0,1]=4 14906 B15R0.70 C/C=C/COCCCCCCCCCCN 34a_100000066964_100102629194 [0,2,0,0,0,0|1,0,1]=4 14907 B15R0.70 C/C=C/COCCCCCCCCCCO 34a_100016270725_100009813290 [0,2,0,0,0,0|1,0,1]=4 14908 B15R0.70 C/C=C/CSCCCCCCCCCCC 62a_100102629194_100011215454 [0,2,0,0,0,0|1,0,0]=3 14909 B15R0.70 C/C=C/CSCCCCCCCCCCO 62a_100009813290_100102629194 [0,2,0,0,0,0|1,0,1]=4 14910 B15R0.70 C/C=C/CSCCCCCCCCCCO 62a_100102629194_200000033068 [0,2,0,0,0,0|1,0,1]=4 14911 B15R0.70 C=CCCC/C=C/COCCCCCCC 34a_200016268473_100000210614 [0,2,0,0,0,0|1,0,1]=4 14912 B15R0.70 C=CCCC/C=C/COCCCCCCC 7a_200016268473_100000210614 [0,2,0,0,0,0|1,0,1]=4 14913 B15R0.70 C=CCCCCCCCCC=NNCCC 4a_100000740057_100000039675 [0,2,0,0,0,0|1,0,1]=4 14914 B15R0.70 C=CCCCCCCCCCCCNCC 2230a_100015525214_102130925996 [0,2,0,0,0,0|1,0,0]=3 14915 B15R0.70 C=CCCCCCCCCCCCOCC 34a_100121572206_102130925996 [0,2,0,0,0,0|1,0,0]=3 14916 B15R0.70 C=CCCCCCCCCCCCSCC 62a_100000210202_102130925996 [0,2,0,0,0,0|1,0,0]=3 14917 B15R0.70 C=CCCCCCCCCCCCSCC 62a_102130925996_100000210202 [0,2,0,0,0,0|1,0,0]=3 14918 B15R0.70 C=CCCCCCCCCCCCSCF 62a_100015361967_102130925996 [0,2,0,0,0,0|1,0,0]=3 14919 B15R0.70 C=CCCCCCCCCCCCSCF 62a_102130925996_100015361967 [0,2,0,0,0,0|1,0,0]=3 14920 B15R0.70 C=CCCCCCCCCCCNCC=C 2230a_100020586998_100011093070 [0,2,0,0,0,0|1,0,1]=4 14921 B15R0.70 C=CCCCCCCCCCCNCCF 34a_100000724931_100011093070 [0,2,0,0,0,0|1,0,0]=3 14922 B15R0.70 C=CCCCCCCCCCCNCCO 2230a_100016997473_100011093070 [0,2,0,0,0,0|1,0,0]=3 14923 B15R0.70 C=CCCCCCCCCCCNCCO 34a_100016990907_100011093070 [0,2,0,0,0,0|1,0,0]=3 14924 B15R0.70 C=CCCCCCCCCCCOCC=C 34a_200000210373_100011093070 [0,2,0,0,0,0|1,0,1]=4 14925 B15R0.70 C=CCCCCCCCCCCOCCBr 34a_100000211926_100011093070 [0,2,0,0,0,0|1,0,0]=3 14926 B15R0.70 C=CCCCCCCCCCCOCCC 34a_100000210258_100011093070 [0,2,0,0,0,0|1,0,0]=3 14927 B15R0.70 C=CCCCCCCCCCCOCCN 34a_100000210304_100011093070 [0,2,0,0,0,0|1,0,0]=3 14928 B15R0.70 C=CCCCCCCCCCCSCC#N 62a_100011093070_100011215382 [0,2,0,0,0,0|1,0,1]=4 14929 B15R0.70 C=CCCCCCCCCCCSCC#N 62a_100011215382_100011093070 [0,2,0,0,0,0|1,0,1]=4 14930 B15R0.70 C=CCCCCCCCCCCSCC=C 62a_100000210623_100011093070 [0,2,0,0,0,0|1,0,1]=4 14931 B15R0.70 C=CCCCCCCCCCCSCC=C 62a_100011093070_100000210623 [0,2,0,0,0,0|1,0,1]=4 14932 B15R0.70 C=CCCCCCCCCCCSCC=O 62a_100011093070_200015260668 [0,2,0,0,0,0|0,0,1]=3 14933 B15R0.70 C=CCCCCCCCCCCSCC=O 62a_200015260668_100011093070 [0,2,0,0,0,0|0,0,1]=3 14934 B15R0.70 C=CCCCCCCCCCCSCCC 62a_100000210303_100011093070 [0,2,0,0,0,0|1,0,0]=3 14935 B15R0.70 C=CCCCCCCCCCCSCCC 62a_100011093070_100000210303 [0,2,0,0,0,0|1,0,0]=3 14936 B15R0.70 C=CCCCCCCCCCCSCCF 62a_100011093070_100011217306 [0,2,0,0,0,0|1,0,0]=3 14937 B15R0.70 C=CCCCCCCCCCCSCCF 62a_100011217306_100011093070 [0,2,0,0,0,0|1,0,0]=3 14938 B15R0.70 C=CCCCCCCCCCCSCCO 62a_100000211926_100011093070 [0,2,0,0,0,0|1,0,0]=3 14939 B15R0.70 C=CCCCCCCCCCCSCCO 62a_100011093070_100000211926 [0,2,0,0,0,0|1,0,0]=3 14940 B15R0.70 C=CCCCCCCCCCCSCOC 62a_100000766300_100011093070 [0,2,0,0,0,0|1,0,0]=3 14941 B15R0.70 C=CCCCCCCCCCCSCOC 62a_100011093070_100000766300 [0,2,0,0,0,0|1,0,0]=3 14942 B15R0.70 C=CCCCCCCCCCCSCSC 62a_100011093070_100011218213 [0,2,0,0,0,0|1,0,0]=3 14943 B15R0.70 C=CCCCCCCCCCCSCSC 62a_100011218213_100011093070 [0,2,0,0,0,0|1,0,0]=3 14944 B15R0.70 C=CCCCCCCCCCNC/C=C/C 34a_100000081888_100102629194 [0,2,0,0,0,0|1,0,1]=4 14945 B15R0.70 C=CCCCCCCCCCNCC#CC 2230a_100000081888_100000748600 [0,2,0,0,0,0|1,0,1]=4 14946 B15R0.70 C=CCCCCCCCCCNCC#CC 2230a_100000685387_100009814027 [0,2,0,0,0,0|1,0,1]=4 14947 B15R0.70 C=CCCCCCCCCCNCC#CC 34a_100000081888_100000748600 [0,2,0,0,0,0|1,0,1]=4 14948 B15R0.70 C=CCCCCCCCCCNCC#CC 34a_100000685387_100009814027 [0,2,0,0,0,0|1,0,1]=4 14949 B15R0.70 C=CCCCCCCCCCNCC=CC 2230a_100000081888_100000070051 [0,2,0,0,0,0|1,0,1]=4 14950 B15R0.70 C=CCCCCCCCCCNCC=CC 34a_100000081888_100000070051 [0,2,0,0,0,0|1,0,1]=4 14951 B15R0.70 C=CCCCCCCCCCNCCC#N 2230a_100000081888_100011215226 [0,2,0,0,0,0|1,0,1]=4 14952 B15R0.70 C=CCCCCCCCCCNCCC=C 2230a_100000081888_100000754431 [0,2,0,0,0,0|1,0,1]=4 14953 B15R0.70 C=CCCCCCCCCCNCCC=C 2230a_100015191253_100009814027 [0,2,0,0,0,0|1,0,1]=4 14954 B15R0.70 C=CCCCCCCCCCNCCC=C 34a_100000081888_100000754431 [0,2,0,0,0,0|1,0,1]=4 14955 B15R0.70 C=CCCCCCCCCCNCCCC 2230a_100000081888_100000210211 [0,2,0,0,0,0|1,0,0]=3 14956 B15R0.70 C=CCCCCCCCCCNCCCC 2230a_100000102301_100009814027 [0,2,0,0,0,0|1,0,0]=3 14957 B15R0.70 C=CCCCCCCCCCNCCCC 34a_100000081888_100000210210 [0,2,0,0,0,0|1,0,0]=3 14958 B15R0.70 C=CCCCCCCCCCNCCCC 7a_106832991798_100009814027 [0,2,0,0,0,0|1,0,0]=3 14959 B15R0.70 C=CCCCCCCCCCNCCCF 2230a_100000081888_100011934791 [0,2,0,0,0,0|1,0,0]=3 14960 B15R0.70 C=CCCCCCCCCCNCCCF 2230a_100015189416_100009814027 [0,2,0,0,0,0|1,0,0]=3 14961 B15R0.70 C=CCCCCCCCCCNCCCF 34a_100000081888_100011934791 [0,2,0,0,0,0|1,0,0]=3 14962 B15R0.70 C=CCCCCCCCCCNCCCF 34a_100015189416_100009814027 [0,2,0,0,0,0|1,0,0]=3 14963 B15R0.70 C=CCCCCCCCCCNCCCO 2230a_100000081888_100000230001 [0,2,0,0,0,0|1,0,0]=3 14964 B15R0.70 C=CCCCCCCCCCNCCCO 34a_100000081888_100000230001 [0,2,0,0,0,0|1,0,0]=3 14965 B15R0.70 C=CCCCCCCCCCNCCOC 2230a_100000081888_100011201679 [0,2,0,0,0,0|1,0,0]=3 14966 B15R0.70 C=CCCCCCCCCCNCCOC 2230a_100000209980_100009814027 [0,2,0,0,0,0|1,0,0]=3 14967 B15R0.70 C=CCCCCCCCCCNCCOC 34a_100000081888_100011201679 [0,2,0,0,0,0|1,0,0]=3 14968 B15R0.70 C=CCCCCCCCCCNCCSC 2230a_100000081888_100000751147 [0,2,0,0,0,0|1,0,0]=3 14969 B15R0.70 C=CCCCCCCCCCNCCSC 2230a_100020590264_100009814027 [0,2,0,0,0,0|1,0,0]=3 14970 B15R0.70 C=CCCCCCCCCCNCCSC 34a_100000081888_100000212216 [0,2,0,0,0,0|1,0,0]=3 14971 B15R0.70 C=CCCCCCCCCCOC/C=C/C 34a_100000038209_100102629194 [0,2,0,0,0,0|1,0,1]=4 14972 B15R0.70 C=CCCCCCCCCCOC/C=C/C 34a_100016270725_100009814027 [0,2,0,0,0,0|1,0,1]=4 14973 B15R0.70 C=CCCCCCCCCCOC/C=C/C 7a_100000038209_100102629194 [0,2,0,0,0,0|1,0,1]=4 14974 B15R0.70 C=CCCCCCCCCCOCC#CC 34a_100000038209_100000748600 [0,2,0,0,0,0|1,0,1]=4 14975 B15R0.70 C=CCCCCCCCCCOCC#CC 34a_100000761923_100009814027 [0,2,0,0,0,0|1,0,1]=4 14976 B15R0.70 C=CCCCCCCCCCOCC#CC 7a_100000038209_100000748600 [0,2,0,0,0,0|1,0,1]=4 14977 B15R0.70 C=CCCCCCCCCCOCC=CC 34a_100000038209_100000070051 [0,2,0,0,0,0|1,0,1]=4 14978 B15R0.70 C=CCCCCCCCCCOCC=CC 7a_100000038209_100000070051 [0,2,0,0,0,0|1,0,1]=4 14979 B15R0.70 C=CCCCCCCCCCOCCC#N 7a_100000038209_100000184422 [0,2,0,0,0,0|1,0,1]=4 14980 B15R0.70 C=CCCCCCCCCCOCCC=C 34a_100000038209_100000754431 [0,2,0,0,0,0|1,0,1]=4 14981 B15R0.70 C=CCCCCCCCCCOCCC=C 34a_100011205117_100009814027 [0,2,0,0,0,0|1,0,1]=4 14982 B15R0.70 C=CCCCCCCCCCOCCC=C 7a_100000038209_100000754431 [0,2,0,0,0,0|1,0,1]=4 14983 B15R0.70 C=CCCCCCCCCCOCCCBr 34a_100011217188_100009814027 [0,2,0,0,0,0|1,0,0]=3 14984 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000038209_100000210210 [0,2,0,0,0,0|1,0,0]=3 14985 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000210227_100009814027 [0,2,0,0,0,0|1,0,0]=3 14986 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000038209_100000210211 [0,2,0,0,0,0|1,0,0]=3 14987 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000210227_100009814027 [0,2,0,0,0,0|1,0,0]=3 14988 B15R0.70 C=CCCCCCCCCCOCCCCl 34a_100000230001_100009814027 [0,2,0,0,0,0|1,0,0]=3 14989 B15R0.70 C=CCCCCCCCCCOCCCF 34a_100000038209_100011934791 [0,2,0,0,0,0|1,0,0]=3 14990 B15R0.70 C=CCCCCCCCCCOCCCF 34a_100000759539_100009814027 [0,2,0,0,0,0|1,0,0]=3 14991 B15R0.70 C=CCCCCCCCCCOCCCF 7a_100000038209_100011934791 [0,2,0,0,0,0|1,0,0]=3 14992 B15R0.70 C=CCCCCCCCCCOCCCN 34a_100000182051_100009814027 [0,2,0,0,0,0|1,0,0]=3 14993 B15R0.70 C=CCCCCCCCCCOCCCO 34a_100000038209_100000230001 [0,2,0,0,0,0|1,0,0]=3 14994 B15R0.70 C=CCCCCCCCCCOCCCO 7a_100000038209_100011215043 [0,2,0,0,0,0|1,0,0]=3 14995 B15R0.70 C=CCCCCCCCCCOCCOC 34a_100000038209_100011201679 [0,2,0,0,0,0|1,0,0]=3 14996 B15R0.70 C=CCCCCCCCCCOCCOC 34a_100000210237_100009814027 [0,2,0,0,0,0|1,0,0]=3 14997 B15R0.70 C=CCCCCCCCCCOCCOC 7a_100000038209_100000233755 [0,2,0,0,0,0|1,0,0]=3 14998 B15R0.70 C=CCCCCCCCCCOCCON 34a_100000700252_100009814027 [0,2,0,0,0,0|2,0,0]=4 14999 B15R0.70 C=CCCCCCCCCCOCCSC 34a_100000038209_100000212216 [0,2,0,0,0,0|1,0,0]=3 15000 B15R0.70 C=CCCCCCCCCCOCCSC 34a_100000230434_100009814027 [0,2,0,0,0,0|1,0,0]=3 15001 B15R0.70 C=CCCCCCCCCCOCCSC 7a_100000038209_100000212216 [0,2,0,0,0,0|1,0,0]=3 15002 B15R0.70 C=CCCCCCCCCCOCCSC 7a_100000230434_100009814027 [0,2,0,0,0,0|1,0,0]=3 15003 B15R0.70 C=CCCCCCCCCCSC/C=C/C 62a_100009814027_100102629194 [0,2,0,0,0,0|1,0,1]=4 15004 B15R0.70 C=CCCCCCCCCCSC/C=C/C 62a_100102629194_100009814027 [0,2,0,0,0,0|1,0,1]=4 15005 B15R0.70 C=CCCCCCCCCCSCC#CC 62a_100000748600_100009814027 [0,2,0,0,0,0|1,0,1]=4 15006 B15R0.70 C=CCCCCCCCCCSCC#CC 62a_100009814027_100000748600 [0,2,0,0,0,0|1,0,1]=4 15007 B15R0.70 C=CCCCCCCCCCSCC=CC 62a_100000070051_100009814027 [0,2,0,0,0,0|1,0,1]=4 15008 B15R0.70 C=CCCCCCCCCCSCC=CC 62a_100009814027_100000070051 [0,2,0,0,0,0|1,0,1]=4 15009 B15R0.70 C=CCCCCCCCCCSCCC#N 62a_100009814027_100011215226 [0,2,0,0,0,0|1,0,1]=4 15010 B15R0.70 C=CCCCCCCCCCSCCC#N 62a_100011215226_100009814027 [0,2,0,0,0,0|1,0,1]=4 15011 B15R0.70 C=CCCCCCCCCCSCCC=C 62a_100000754431_100009814027 [0,2,0,0,0,0|1,0,1]=4 15012 B15R0.70 C=CCCCCCCCCCSCCC=C 62a_100009814027_100000754431 [0,2,0,0,0,0|1,0,1]=4 15013 B15R0.70 C=CCCCCCCCCCSCCCC 62a_100000210211_100009814027 [0,2,0,0,0,0|1,0,0]=3 15014 B15R0.70 C=CCCCCCCCCCSCCCC 62a_100009814027_100000210210 [0,2,0,0,0,0|1,0,0]=3 15015 B15R0.70 C=CCCCCCCCCCSCCCF 62a_100009814027_100011934791 [0,2,0,0,0,0|1,0,0]=3 15016 B15R0.70 C=CCCCCCCCCCSCCCF 62a_100011934791_100009814027 [0,2,0,0,0,0|1,0,0]=3 15017 B15R0.70 C=CCCCCCCCCCSCCCO 62a_100009814027_100011215043 [0,2,0,0,0,0|1,0,0]=3 15018 B15R0.70 C=CCCCCCCCCCSCCCO 62a_100011215043_100009814027 [0,2,0,0,0,0|1,0,0]=3 15019 B15R0.70 C=CCCCCCCCCCSCCOC 62a_100000233755_100009814027 [0,2,0,0,0,0|1,0,0]=3 15020 B15R0.70 C=CCCCCCCCCCSCCOC 62a_100009814027_100000233755 [0,2,0,0,0,0|1,0,0]=3 15021 B15R0.70 C=CCCCCCCCCCSCCSC 62a_100000212216_100009814027 [0,2,0,0,0,0|1,0,0]=3 15022 B15R0.70 C=CCCCCCCCCCSCCSC 62a_100009814027_100000751147 [0,2,0,0,0,0|1,0,0]=3 15023 B15R0.70 C=CCCCCCCCCCSCOCC 62a_100000739092_100009814027 [0,2,0,0,0,0|1,0,0]=3 15024 B15R0.70 C=CCCCCCCCCCSCOCC 62a_100009814027_100000739092 [0,2,0,0,0,0|1,0,0]=3 15025 B15R0.70 C=CCCCCCCCCNCCCC=C 2230a_100000700776_100011933949 [0,2,0,0,0,0|1,0,1]=4 15026 B15R0.70 C=CCCCCCCCCNCCCC=C 34a_100000700776_100011933949 [0,2,0,0,0,0|1,0,1]=4 15027 B15R0.70 C=CCCCCCCCCNCCCCC 2230a_100000209983_100011933949 [0,2,0,0,0,0|1,0,0]=3 15028 B15R0.70 C=CCCCCCCCCNCCCCO 2230a_100000750430_100011933949 [0,2,0,0,0,0|1,0,0]=3 15029 B15R0.70 C=CCCCCCCCCNCCCCO 34a_100000750430_100011933949 [0,2,0,0,0,0|1,0,0]=3 15030 B15R0.70 C=CCCCCCCCCNCCCOC 34a_100150723488_100011933949 [0,2,0,0,0,0|1,0,0]=3 15031 B15R0.70 C=CCCCCCCCCNCCCSC 2230a_100000749238_100011933949 [0,2,0,0,0,0|1,0,0]=3 15032 B15R0.70 C=CCCCCCCCCNCCOCC 2230a_102516460346_100011933949 [0,2,0,0,0,0|1,0,0]=3 15033 B15R0.70 C=CCCCCCCCCNCCOCC 34a_102516460346_100011933949 [0,2,0,0,0,0|1,0,0]=3 15034 B15R0.70 C=CCCCCCCCCNCCSCC 2230a_100000106463_100011933949 [0,2,0,0,0,0|1,0,0]=3 15035 B15R0.70 C=CCCCCCCCCOC/C=C\CC 34a_100011215194_100103147603 [0,2,0,0,0,0|1,0,1]=4 15036 B15R0.70 C=CCCCCCCCCOC/C=C\CC 34a_100016268518_100011933949 [0,2,0,0,0,0|1,0,1]=4 15037 B15R0.70 C=CCCCCCCCCOC/C=C\CC 7a_100011215194_100103147603 [0,2,0,0,0,0|1,0,1]=4 15038 B15R0.70 C=CCCCCCCCCOCC#CCC 34a_100000032950_100011933949 [0,2,0,0,0,0|1,0,1]=4 15039 B15R0.70 C=CCCCCCCCCOCC#CCC 34a_100011215194_100009813939 [0,2,0,0,0,0|1,0,1]=4 15040 B15R0.70 C=CCCCCCCCCOCC#CCC 7a_100011215194_100009813939 [0,2,0,0,0,0|1,0,1]=4 15041 B15R0.70 C=CCCCCCCCCOCC/C=C/C 34a_100016278192_100011933949 [0,2,0,0,0,0|1,0,1]=4 15042 B15R0.70 C=CCCCCCCCCOCCC#CC 34a_100000750427_100011933949 [0,2,0,0,0,0|1,0,1]=4 15043 B15R0.70 C=CCCCCCCCCOCCCC#N 7a_100011215194_100000687738 [0,2,0,0,0,0|1,0,1]=4 15044 B15R0.70 C=CCCCCCCCCOCCCC=C 34a_100000758997_100011933949 [0,2,0,0,0,0|1,0,1]=4 15045 B15R0.70 C=CCCCCCCCCOCCCC=C 34a_100011215194_100000757094 [0,2,0,0,0,0|1,0,1]=4 15046 B15R0.70 C=CCCCCCCCCOCCCC=C 7a_100000758997_100011933949 [0,2,0,0,0,0|1,0,1]=4 15047 B15R0.70 C=CCCCCCCCCOCCCC=C 7a_100011215194_100000757094 [0,2,0,0,0,0|1,0,1]=4 15048 B15R0.70 C=CCCCCCCCCOCCCC=O 7a_100011215194_200011292268 [0,2,0,0,0,0|0,0,1]=3 15049 B15R0.70 C=CCCCCCCCCOCCCCBr 34a_100011216708_100011933949 [0,2,0,0,0,0|1,0,0]=3 15050 B15R0.70 C=CCCCCCCCCOCCCCC 34a_100000210253_100011933949 [0,2,0,0,0,0|1,0,0]=3 15051 B15R0.70 C=CCCCCCCCCOCCCCC 34a_100011215194_100000718602 [0,2,0,0,0,0|1,0,0]=3 15052 B15R0.70 C=CCCCCCCCCOCCCCC 7a_100000210253_100011933949 [0,2,0,0,0,0|1,0,0]=3 15053 B15R0.70 C=CCCCCCCCCOCCCCC 7a_100011215194_100000210326 [0,2,0,0,0,0|1,0,0]=3 15054 B15R0.70 C=CCCCCCCCCOCCCCCl 34a_100000210776_100011933949 [0,2,0,0,0,0|1,0,0]=3 15055 B15R0.70 C=CCCCCCCCCOCCCCCl 7a_100000210776_100011933949 [0,2,0,0,0,0|1,0,0]=3 15056 B15R0.70 C=CCCCCCCCCOCCCCF 34a_100011215194_100000729493 [0,2,0,0,0,0|1,0,0]=3 15057 B15R0.70 C=CCCCCCCCCOCCCCF 34a_100011995726_100011933949 [0,2,0,0,0,0|1,0,0]=3 15058 B15R0.70 C=CCCCCCCCCOCCCCF 7a_100011215194_100000729493 [0,2,0,0,0,0|1,0,0]=3 15059 B15R0.70 C=CCCCCCCCCOCCCCF 7a_100011995726_100011933949 [0,2,0,0,0,0|1,0,0]=3 15060 B15R0.70 C=CCCCCCCCCOCCCCI 34a_200012148704_100011933949 [0,2,0,0,0,0|1,0,0]=3 15061 B15R0.70 C=CCCCCCCCCOCCCCN 34a_100000750430_100011933949 [0,2,0,0,0,0|1,0,0]=3 15062 B15R0.70 C=CCCCCCCCCOCCCCO 34a_100011215194_100011216708 [0,2,0,0,0,0|1,0,0]=3 15063 B15R0.70 C=CCCCCCCCCOCCCCO 7a_100011215194_100000210776 [0,2,0,0,0,0|1,0,0]=3 15064 B15R0.70 C=CCCCCCCCCOCCCNC 34a_100000213112_100011933949 [0,2,0,0,0,0|1,0,0]=3 15065 B15R0.70 C=CCCCCCCCCOCCCOC 34a_100000740835_100011933949 [0,2,0,0,0,0|1,0,0]=3 15066 B15R0.70 C=CCCCCCCCCOCCCOC 34a_100011215194_100000740836 [0,2,0,0,0,0|1,0,0]=3 15067 B15R0.70 C=CCCCCCCCCOCCCOC 7a_100011215194_100000740836 [0,2,0,0,0,0|1,0,0]=3 15068 B15R0.70 C=CCCCCCCCCOCCCSC 34a_100000690336_100011933949 [0,2,0,0,0,0|1,0,0]=3 15069 B15R0.70 C=CCCCCCCCCOCCCSC 7a_100000690336_100011933949 [0,2,0,0,0,0|1,0,0]=3 15070 B15R0.70 C=CCCCCCCCCOCCOCC 34a_100000210136_100011933949 [0,2,0,0,0,0|1,0,0]=3 15071 B15R0.70 C=CCCCCCCCCOCCOCC 34a_100011215194_100000210147 [0,2,0,0,0,0|1,0,0]=3 15072 B15R0.70 C=CCCCCCCCCOCCOCC 7a_100000210136_100011933949 [0,2,0,0,0,0|1,0,0]=3 15073 B15R0.70 C=CCCCCCCCCOCCOCC 7a_100011215194_100011215890 [0,2,0,0,0,0|1,0,0]=3 15074 B15R0.70 C=CCCCCCCCCOCCSCC 34a_100000212035_100011933949 [0,2,0,0,0,0|1,0,0]=3 15075 B15R0.70 C=CCCCCCCCCOCCSCC 34a_100011215194_100000757381 [0,2,0,0,0,0|1,0,0]=3 15076 B15R0.70 C=CCCCCCCCCOCCSCC 7a_100000212035_100011933949 [0,2,0,0,0,0|1,0,0]=3 15077 B15R0.70 C=CCCCCCCCCOCCSCC 7a_100011215194_100000757381 [0,2,0,0,0,0|1,0,0]=3 15078 B15R0.70 C=CCCCCCCCCSC/C=C\CC 62a_100011933949_100103147603 [0,2,0,0,0,0|1,0,1]=4 15079 B15R0.70 C=CCCCCCCCCSC/C=C\CC 62a_100103147603_100011933949 [0,2,0,0,0,0|1,0,1]=4 15080 B15R0.70 C=CCCCCCCCCSCC#CCC 62a_100009813939_100011933949 [0,2,0,0,0,0|1,0,1]=4 15081 B15R0.70 C=CCCCCCCCCSCC#CCC 62a_100011933949_100009813939 [0,2,0,0,0,0|1,0,1]=4 15082 B15R0.70 C=CCCCCCCCCSCCCC#N 62a_100000687738_100011933949 [0,2,0,0,0,0|1,0,1]=4 15083 B15R0.70 C=CCCCCCCCCSCCCC#N 62a_100011933949_100000687738 [0,2,0,0,0,0|1,0,1]=4 15084 B15R0.70 C=CCCCCCCCCSCCCC=C 62a_100011713584_100011933949 [0,2,0,0,0,0|1,0,1]=4 15085 B15R0.70 C=CCCCCCCCCSCCCC=C 62a_100011933949_100000757094 [0,2,0,0,0,0|1,0,1]=4 15086 B15R0.70 C=CCCCCCCCCSCCCC=O 62a_100011933949_200011292268 [0,2,0,0,0,0|0,0,1]=3 15087 B15R0.70 C=CCCCCCCCCSCCCC=O 62a_200011292268_100011933949 [0,2,0,0,0,0|0,0,1]=3 15088 B15R0.70 C=CCCCCCCCCSCCCCC 62a_100000210326_100011933949 [0,2,0,0,0,0|1,0,0]=3 15089 B15R0.70 C=CCCCCCCCCSCCCCC 62a_100011933949_100000210326 [0,2,0,0,0,0|1,0,0]=3 15090 B15R0.70 C=CCCCCCCCCSCCCCF 62a_100000729493_100011933949 [0,2,0,0,0,0|1,0,0]=3 15091 B15R0.70 C=CCCCCCCCCSCCCCF 62a_100011933949_100000729493 [0,2,0,0,0,0|1,0,0]=3 15092 B15R0.70 C=CCCCCCCCCSCCCCO 62a_100000210776_100011933949 [0,2,0,0,0,0|1,0,0]=3 15093 B15R0.70 C=CCCCCCCCCSCCCCO 62a_100011933949_100000210776 [0,2,0,0,0,0|1,0,0]=3 15094 B15R0.70 C=CCCCCCCCCSCCCOC 62a_100000709357_100011933949 [0,2,0,0,0,0|1,0,0]=3 15095 B15R0.70 C=CCCCCCCCCSCCCOC 62a_100011933949_100000709357 [0,2,0,0,0,0|1,0,0]=3 15096 B15R0.70 C=CCCCCCCCCSCCOCC 62a_100000210147_100011933949 [0,2,0,0,0,0|1,0,0]=3 15097 B15R0.70 C=CCCCCCCCCSCCOCC 62a_100011933949_100011215890 [0,2,0,0,0,0|1,0,0]=3 15098 B15R0.70 C=CCCCCCCCCSCCSCC 62a_100000757381_100011933949 [0,2,0,0,0,0|1,0,0]=3 15099 B15R0.70 C=CCCCCCCCCSCCSCC 62a_100011933949_100000757381 [0,2,0,0,0,0|1,0,0]=3 15100 B15R0.70 C=CCCCCCCCNCCCCC=C 2230a_100000703577_100012355270 [0,2,0,0,0,0|1,0,1]=4 15101 B15R0.70 C=CCCCCCCCNCCCCC=C 34a_100000703577_100012355270 [0,2,0,0,0,0|1,0,1]=4 15102 B15R0.70 C=CCCCCCCCNCCCCCC 2230a_100000210581_100012355270 [0,2,0,0,0,0|1,0,0]=3 15103 B15R0.70 C=CCCCCCCCNCCCCCO 2230a_100000762737_100012355270 [0,2,0,0,0,0|1,0,0]=3 15104 B15R0.70 C=CCCCCCCCNCCCCCO 34a_100000762737_100012355270 [0,2,0,0,0,0|1,0,0]=3 15105 B15R0.70 C=CCCCCCCCNCCCOCC 2230a_100000210961_100012355270 [0,2,0,0,0,0|1,0,0]=3 15106 B15R0.70 C=CCCCCCCCNCCCOCC 34a_100000210961_100012355270 [0,2,0,0,0,0|1,0,0]=3 15107 B15R0.70 C=CCCCCCCCNCCOCCC 2230a_100161115042_100012355270 [0,2,0,0,0,0|1,0,0]=3 15108 B15R0.70 C=CCCCCCCCNCCOCCC 34a_100161115042_100012355270 [0,2,0,0,0,0|1,0,0]=3 15109 B15R0.70 C=CCCCCCCCNCCOCCO 2230a_100000211614_100012355270 [0,2,0,0,0,0|2,0,0]=4 15110 B15R0.70 C=CCCCCCCCNCCOCCO 34a_100000211614_100012355270 [0,2,0,0,0,0|2,0,0]=4 15111 B15R0.70 C=CCCCCCCCNCCSCCC 2230a_100020603323_100012355270 [0,2,0,0,0,0|1,0,0]=3 15112 B15R0.70 C=CCCCCCCCNCCSCCO 2230a_100011219999_100012355270 [0,2,0,0,0,0|2,0,0]=4 15113 B15R0.70 C=CCCCCCCCOC/C=C/CCC 34a_100016278788_100012355270 [0,2,0,0,0,0|1,0,1]=4 15114 B15R0.70 C=CCCCCCCCOC/C=C/CCC 7a_100016278788_100012355270 [0,2,0,0,0,0|1,0,1]=4 15115 B15R0.70 C=CCCCCCCCOCC#CCCC 34a_100000034806_100012355270 [0,2,0,0,0,0|1,0,1]=4 15116 B15R0.70 C=CCCCCCCCOCC#CCCC 7a_100000034806_100012355270 [0,2,0,0,0,0|1,0,1]=4 15117 B15R0.70 C=CCCCCCCCOCC/C=C\CC 34a_100000730831_100015370543 [0,2,0,0,0,0|1,0,1]=4 15118 B15R0.70 C=CCCCCCCCOCC/C=C\CC 34a_100016288707_100012355270 [0,2,0,0,0,0|1,0,1]=4 15119 B15R0.70 C=CCCCCCCCOCC/C=C\CC 7a_100000730831_100015370543 [0,2,0,0,0,0|1,0,1]=4 15120 B15R0.70 C=CCCCCCCCOCC/C=C\CC 7a_100016288707_100012355270 [0,2,0,0,0,0|1,0,1]=4 15121 B15R0.70 C=CCCCCCCCOCCC#CCC 34a_100000036655_100012355270 [0,2,0,0,0,0|1,0,1]=4 15122 B15R0.70 C=CCCCCCCCOCCC#CCC 7a_100000036655_100012355270 [0,2,0,0,0,0|1,0,1]=4 15123 B15R0.70 C=CCCCCCCCOCCCC=CC 34a_100020645299_100012355270 [0,2,0,0,0,0|1,0,1]=4 15124 B15R0.70 C=CCCCCCCCOCCCCC#N 7a_100000730831_100000211819 [0,2,0,0,0,0|1,0,1]=4 15125 B15R0.70 C=CCCCCCCCOCCCCC=C 34a_100000730831_100011215482 [0,2,0,0,0,0|1,0,1]=4 15126 B15R0.70 C=CCCCCCCCOCCCCC=C 34a_100000766645_100012355270 [0,2,0,0,0,0|1,0,1]=4 15127 B15R0.70 C=CCCCCCCCOCCCCC=C 7a_100000730831_100011215482 [0,2,0,0,0,0|1,0,1]=4 15128 B15R0.70 C=CCCCCCCCOCCCCC=C 7a_100000766645_100012355270 [0,2,0,0,0,0|1,0,1]=4 15129 B15R0.70 C=CCCCCCCCOCCCCC=O 7a_100000730831_100000139335 [0,2,0,0,0,0|0,0,1]=3 15130 B15R0.70 C=CCCCCCCCOCCCCCBr 34a_100000746331_100012355270 [0,2,0,0,0,0|1,0,0]=3 15131 B15R0.70 C=CCCCCCCCOCCCCCBr 7a_100000746331_100012355270 [0,2,0,0,0,0|1,0,0]=3 15132 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000210259_100012355270 [0,2,0,0,0,0|1,0,0]=3 15133 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000730831_100000210314 [0,2,0,0,0,0|1,0,0]=3 15134 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000210259_100012355270 [0,2,0,0,0,0|1,0,0]=3 15135 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000730831_100000210314 [0,2,0,0,0,0|1,0,0]=3 15136 B15R0.70 C=CCCCCCCCOCCCCCCl 34a_100000746330_100012355270 [0,2,0,0,0,0|1,0,0]=3 15137 B15R0.70 C=CCCCCCCCOCCCCCCl 7a_100000746330_100012355270 [0,2,0,0,0,0|1,0,0]=3 15138 B15R0.70 C=CCCCCCCCOCCCCCF 34a_100000730831_100000729378 [0,2,0,0,0,0|1,0,0]=3 15139 B15R0.70 C=CCCCCCCCOCCCCCF 7a_100000730831_100000729378 [0,2,0,0,0,0|1,0,0]=3 15140 B15R0.70 C=CCCCCCCCOCCCCCI 34a_200012148887_100012355270 [0,2,0,0,0,0|1,0,0]=3 15141 B15R0.70 C=CCCCCCCCOCCCCCI 7a_200012148887_100012355270 [0,2,0,0,0,0|1,0,0]=3 15142 B15R0.70 C=CCCCCCCCOCCCCCN 34a_100000762737_100012355270 [0,2,0,0,0,0|1,0,0]=3 15143 B15R0.70 C=CCCCCCCCOCCCCCO 34a_100000730831_100000746330 [0,2,0,0,0,0|1,0,0]=3 15144 B15R0.70 C=CCCCCCCCOCCCCCO 7a_100000730831_100000746330 [0,2,0,0,0,0|1,0,0]=3 15145 B15R0.70 C=CCCCCCCCOCCCCOC 34a_100000730831_100000755781 [0,2,0,0,0,0|1,0,0]=3 15146 B15R0.70 C=CCCCCCCCOCCCCOC 34a_100000740925_100012355270 [0,2,0,0,0,0|1,0,0]=3 15147 B15R0.70 C=CCCCCCCCOCCCCOC 7a_100000730831_100000730899 [0,2,0,0,0,0|1,0,0]=3 15148 B15R0.70 C=CCCCCCCCOCCCCSC 34a_100011217163_100012355270 [0,2,0,0,0,0|1,0,0]=3 15149 B15R0.70 C=CCCCCCCCOCCCCSC 7a_100011217163_100012355270 [0,2,0,0,0,0|1,0,0]=3 15150 B15R0.70 C=CCCCCCCCOCCCOCC 34a_100000730831_100012232248 [0,2,0,0,0,0|1,0,0]=3 15151 B15R0.70 C=CCCCCCCCOCCCOCC 34a_100000757476_100012355270 [0,2,0,0,0,0|1,0,0]=3 15152 B15R0.70 C=CCCCCCCCOCCCOCC 7a_100000730831_100012232248 [0,2,0,0,0,0|1,0,0]=3 15153 B15R0.70 C=CCCCCCCCOCCCOCC 7a_100000757476_100012355270 [0,2,0,0,0,0|1,0,0]=3 15154 B15R0.70 C=CCCCCCCCOCCCSCC 34a_100011216438_100012355270 [0,2,0,0,0,0|1,0,0]=3 15155 B15R0.70 C=CCCCCCCCOCCCSCC 7a_100011216438_100012355270 [0,2,0,0,0,0|1,0,0]=3 15156 B15R0.70 C=CCCCCCCCOCCOCCBr 34a_100000692535_100012355270 [0,2,0,0,0,0|2,0,0]=4 15157 B15R0.70 C=CCCCCCCCOCCOCCBr 7a_100000692535_100012355270 [0,2,0,0,0,0|2,0,0]=4 15158 B15R0.70 C=CCCCCCCCOCCOCCC 34a_100000730831_100011215938 [0,2,0,0,0,0|1,0,0]=3 15159 B15R0.70 C=CCCCCCCCOCCOCCC 34a_100000752267_100012355270 [0,2,0,0,0,0|1,0,0]=3 15160 B15R0.70 C=CCCCCCCCOCCOCCC 7a_100000730831_100011215938 [0,2,0,0,0,0|1,0,0]=3 15161 B15R0.70 C=CCCCCCCCOCCOCCC 7a_100000752267_100012355270 [0,2,0,0,0,0|1,0,0]=3 15162 B15R0.70 C=CCCCCCCCOCCOCCCl 34a_100011215305_100012355270 [0,2,0,0,0,0|2,0,0]=4 15163 B15R0.70 C=CCCCCCCCOCCOCCCl 7a_100011215305_100012355270 [0,2,0,0,0,0|2,0,0]=4 15164 B15R0.70 C=CCCCCCCCOCCOCCF 34a_200015357709_100012355270 [0,2,0,0,0,0|2,0,0]=4 15165 B15R0.70 C=CCCCCCCCOCCOCCF 7a_200015357709_100012355270 [0,2,0,0,0,0|2,0,0]=4 15166 B15R0.70 C=CCCCCCCCOCCOCCI 34a_100012149058_100012355270 [0,2,0,0,0,0|2,0,0]=4 15167 B15R0.70 C=CCCCCCCCOCCOCCI 7a_100012149058_100012355270 [0,2,0,0,0,0|2,0,0]=4 15168 B15R0.70 C=CCCCCCCCOCCOCCN 34a_100000211614_100012355270 [0,2,0,0,0,0|2,0,0]=4 15169 B15R0.70 C=CCCCCCCCOCCOCCO 34a_100000730831_100000692535 [0,2,0,0,0,0|2,0,0]=4 15170 B15R0.70 C=CCCCCCCCOCCOCCO 7a_100000730831_100011215305 [0,2,0,0,0,0|2,0,0]=4 15171 B15R0.70 C=CCCCCCCCOCCSCCC 34a_200000230433_100012355270 [0,2,0,0,0,0|1,0,0]=3 15172 B15R0.70 C=CCCCCCCCOCCSCCC 7a_200000230433_100012355270 [0,2,0,0,0,0|1,0,0]=3 15173 B15R0.70 C=CCCCCCCCOCOCCCC 34a_100000730831_100011995733 [0,2,0,0,0,0|1,0,0]=3 15174 B15R0.70 C=CCCCCCCCSCC/C=C\CC 62a_100012355270_100015370543 [0,2,0,0,0,0|1,0,1]=4 15175 B15R0.70 C=CCCCCCCCSCC/C=C\CC 62a_100015370543_100012355270 [0,2,0,0,0,0|1,0,1]=4 15176 B15R0.70 C=CCCCCCCCSCCCCC#N 62a_100011219923_100012355270 [0,2,0,0,0,0|1,0,1]=4 15177 B15R0.70 C=CCCCCCCCSCCCCC#N 62a_100012355270_100000211819 [0,2,0,0,0,0|1,0,1]=4 15178 B15R0.70 C=CCCCCCCCSCCCCC=C 62a_100011215482_100012355270 [0,2,0,0,0,0|1,0,1]=4 15179 B15R0.70 C=CCCCCCCCSCCCCC=C 62a_100012355270_100011215482 [0,2,0,0,0,0|1,0,1]=4 15180 B15R0.70 C=CCCCCCCCSCCCCC=O 62a_100000139335_100012355270 [0,2,0,0,0,0|0,0,1]=3 15181 B15R0.70 C=CCCCCCCCSCCCCC=O 62a_100012355270_100000139335 [0,2,0,0,0,0|0,0,1]=3 15182 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100000210314_100012355270 [0,2,0,0,0,0|1,0,0]=3 15183 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100012355270_100000210757 [0,2,0,0,0,0|1,0,0]=3 15184 B15R0.70 C=CCCCCCCCSCCCCCF 62a_100000729378_100012355270 [0,2,0,0,0,0|1,0,0]=3 15185 B15R0.70 C=CCCCCCCCSCCCCCF 62a_100012355270_100000729378 [0,2,0,0,0,0|1,0,0]=3 15186 B15R0.70 C=CCCCCCCCSCCCCCO 62a_100000746330_100012355270 [0,2,0,0,0,0|1,0,0]=3 15187 B15R0.70 C=CCCCCCCCSCCCCCO 62a_100012355270_100000746330 [0,2,0,0,0,0|1,0,0]=3 15188 B15R0.70 C=CCCCCCCCSCCCCOC 62a_100000730899_100012355270 [0,2,0,0,0,0|1,0,0]=3 15189 B15R0.70 C=CCCCCCCCSCCCCOC 62a_100012355270_100000730899 [0,2,0,0,0,0|1,0,0]=3 15190 B15R0.70 C=CCCCCCCCSCCCOCC 62a_100012232248_100012355270 [0,2,0,0,0,0|1,0,0]=3 15191 B15R0.70 C=CCCCCCCCSCCCOCC 62a_100012355270_100012232248 [0,2,0,0,0,0|1,0,0]=3 15192 B15R0.70 C=CCCCCCCCSCCOCCC 62a_100011215938_100012355270 [0,2,0,0,0,0|1,0,0]=3 15193 B15R0.70 C=CCCCCCCCSCCOCCC 62a_100012355270_100011215938 [0,2,0,0,0,0|1,0,0]=3 15194 B15R0.70 C=CCCCCCCCSCCOCCO 62a_100011215305_100012355270 [0,2,0,0,0,0|2,0,0]=4 15195 B15R0.70 C=CCCCCCCCSCCOCCO 62a_100012355270_100011215305 [0,2,0,0,0,0|2,0,0]=4 15196 B15R0.70 C=CCCCCCCCSCOCCCC 62a_100011995733_100012355270 [0,2,0,0,0,0|1,0,0]=3 15197 B15R0.70 C=CCCCCCCCSCOCCCC 62a_100012355270_100011995733 [0,2,0,0,0,0|1,0,0]=3 15198 B15R0.70 C=CCCCCCCCSCOCCOC 62a_100000231047_100012355270 [0,2,0,0,0,0|2,0,0]=4 15199 B15R0.70 C=CCCCCCCCSCOCCOC 62a_100012355270_100000231047 [0,2,0,0,0,0|2,0,0]=4 15200 B15R0.70 C=CCCCCCCNCCCCCCC 2230a_100000229938_100011215473 [0,2,0,0,0,0|1,0,0]=3 15201 B15R0.70 C=CCCCCCCNCCCCCCO 2230a_100000686447_100011215473 [0,2,0,0,0,0|1,0,0]=3 15202 B15R0.70 C=CCCCCCCNCCCCCCO 34a_100000686447_100011215473 [0,2,0,0,0,0|1,0,0]=3 15203 B15R0.70 C=CCCCCCCNCCCCCOC 2230a_100000747528_100011215473 [0,2,0,0,0,0|1,0,0]=3 15204 B15R0.70 C=CCCCCCCNCCCCCOC 34a_100000747528_100011215473 [0,2,0,0,0,0|1,0,0]=3 15205 B15R0.70 C=CCCCCCCNCCCOCCC 2230a_100011217757_100011215473 [0,2,0,0,0,0|1,0,0]=3 15206 B15R0.70 C=CCCCCCCNCCCOCCC 34a_100011217757_100011215473 [0,2,0,0,0,0|1,0,0]=3 15207 B15R0.70 C=CCCCCCCNCCOCCOC 2230a_100000745349_100011215473 [0,2,0,0,0,0|2,0,0]=4 15208 B15R0.70 C=CCCCCCCNCCOCCOC 34a_100000745349_100011215473 [0,2,0,0,0,0|2,0,0]=4 15209 B15R0.70 C=CCCCCCCNCCSCCCC 2230a_100025743550_100011215473 [0,2,0,0,0,0|1,0,0]=3 15210 B15R0.70 C=CCCCCCCOC/C=C/CCCC 34a_200016272032_100011215473 [0,2,0,0,0,0|1,0,1]=4 15211 B15R0.70 C=CCCCCCCOC/C=C/CCCC 7a_200016272032_100011215473 [0,2,0,0,0,0|1,0,1]=4 15212 B15R0.70 C=CCCCCCCOCC#CCCCC 34a_200000034558_100011215473 [0,2,0,0,0,0|1,0,1]=4 15213 B15R0.70 C=CCCCCCCOCC#CCCCC 7a_200000034558_100011215473 [0,2,0,0,0,0|1,0,1]=4 15214 B15R0.70 C=CCCCCCCOCCC#CCCC 34a_100000042726_100011215473 [0,2,0,0,0,0|1,0,1]=4 15215 B15R0.70 C=CCCCCCCOCCC#CCCC 7a_100000042726_100011215473 [0,2,0,0,0,0|1,0,1]=4 15216 B15R0.70 C=CCCCCCCOCCC/C=C/CC 34a_100016287902_100011215473 [0,2,0,0,0,0|1,0,1]=4 15217 B15R0.70 C=CCCCCCCOCCC/C=C/CC 7a_100016287902_100011215473 [0,2,0,0,0,0|1,0,1]=4 15218 B15R0.70 C=CCCCCCCOCCCCCC#N 7a_200011216477_100009813376 [0,2,0,0,0,0|1,0,1]=4 15219 B15R0.70 C=CCCCCCCOCCCCCC=C 34a_100011216702_100011215473 [0,2,0,0,0,0|1,0,1]=4 15220 B15R0.70 C=CCCCCCCOCCCCCC=C 34a_200011216477_100000700193 [0,2,0,0,0,0|1,0,1]=4 15221 B15R0.70 C=CCCCCCCOCCCCCC=C 7a_100011216702_100011215473 [0,2,0,0,0,0|1,0,1]=4 15222 B15R0.70 C=CCCCCCCOCCCCCC=C 7a_200011216477_100000700193 [0,2,0,0,0,0|1,0,1]=4 15223 B15R0.70 C=CCCCCCCOCCCCCC=O 7a_200011216477_100000139337 [0,2,0,0,0,0|0,0,1]=3 15224 B15R0.70 C=CCCCCCCOCCCCCCBr 34a_100011215345_100011215473 [0,2,0,0,0,0|1,0,0]=3 15225 B15R0.70 C=CCCCCCCOCCCCCCBr 7a_100011215345_100011215473 [0,2,0,0,0,0|1,0,0]=3 15226 B15R0.70 C=CCCCCCCOCCCCCCC 34a_100000210272_100011215473 [0,2,0,0,0,0|1,0,0]=3 15227 B15R0.70 C=CCCCCCCOCCCCCCC 34a_200011216477_100000210614 [0,2,0,0,0,0|1,0,0]=3 15228 B15R0.70 C=CCCCCCCOCCCCCCC 7a_100000210272_100011215473 [0,2,0,0,0,0|1,0,0]=3 15229 B15R0.70 C=CCCCCCCOCCCCCCC 7a_200011216477_100000210614 [0,2,0,0,0,0|1,0,0]=3 15230 B15R0.70 C=CCCCCCCOCCCCCCCl 34a_100000766143_100011215473 [0,2,0,0,0,0|1,0,0]=3 15231 B15R0.70 C=CCCCCCCOCCCCCCCl 7a_100000766143_100011215473 [0,2,0,0,0,0|1,0,0]=3 15232 B15R0.70 C=CCCCCCCOCCCCCCF 34a_100000732779_100011215473 [0,2,0,0,0,0|1,0,0]=3 15233 B15R0.70 C=CCCCCCCOCCCCCCF 34a_200011216477_100015922095 [0,2,0,0,0,0|1,0,0]=3 15234 B15R0.70 C=CCCCCCCOCCCCCCF 7a_100000732779_100011215473 [0,2,0,0,0,0|1,0,0]=3 15235 B15R0.70 C=CCCCCCCOCCCCCCF 7a_200011216477_100015922095 [0,2,0,0,0,0|1,0,0]=3 15236 B15R0.70 C=CCCCCCCOCCCCCCN 34a_100000686447_100011215473 [0,2,0,0,0,0|1,0,0]=3 15237 B15R0.70 C=CCCCCCCOCCCCCCO 34a_200011216477_100000766143 [0,2,0,0,0,0|1,0,0]=3 15238 B15R0.70 C=CCCCCCCOCCCCCCO 7a_200011216477_100000766143 [0,2,0,0,0,0|1,0,0]=3 15239 B15R0.70 C=CCCCCCCOCCCCCNC 34a_100000722520_100011215473 [0,2,0,0,0,0|1,0,0]=3 15240 B15R0.70 C=CCCCCCCOCCOCCCC 34a_100000210238_100011215473 [0,2,0,0,0,0|1,0,0]=3 15241 B15R0.70 C=CCCCCCCOCCOCCCC 34a_200011216477_100000743108 [0,2,0,0,0,0|1,0,0]=3 15242 B15R0.70 C=CCCCCCCOCCOCCCC 7a_100000210238_100011215473 [0,2,0,0,0,0|1,0,0]=3 15243 B15R0.70 C=CCCCCCCOCCOCCCC 7a_200011216477_100000743108 [0,2,0,0,0,0|1,0,0]=3 15244 B15R0.70 C=CCCCCCCOCCOCCNC 34a_100000228057_100011215473 [0,2,0,0,0,0|2,0,0]=4 15245 B15R0.70 C=CCCCCCCOCCOCCOC 34a_100011215163_100011215473 [0,2,0,0,0,0|2,0,0]=4 15246 B15R0.70 C=CCCCCCCOCCOCCOC 34a_200011216477_100000695917 [0,2,0,0,0,0|2,0,0]=4 15247 B15R0.70 C=CCCCCCCOCCOCCOC 7a_100011215163_100011215473 [0,2,0,0,0,0|2,0,0]=4 15248 B15R0.70 C=CCCCCCCOCCOCCOC 7a_200011216477_100000695917 [0,2,0,0,0,0|2,0,0]=4 15249 B15R0.70 C=CCCCCCCOCCSCCCC 34a_200000230436_100011215473 [0,2,0,0,0,0|1,0,0]=3 15250 B15R0.70 C=CCCCCCCOCCSCCCC 7a_200000230436_100011215473 [0,2,0,0,0,0|1,0,0]=3 15251 B15R0.70 C=CCCCCCCSCCCCCC#N 62a_100009813376_100011215473 [0,2,0,0,0,0|1,0,1]=4 15252 B15R0.70 C=CCCCCCCSCCCCCC#N 62a_100011215473_100009813376 [0,2,0,0,0,0|1,0,1]=4 15253 B15R0.70 C=CCCCCCCSCCCCCC=C 62a_100000700193_100011215473 [0,2,0,0,0,0|1,0,1]=4 15254 B15R0.70 C=CCCCCCCSCCCCCC=C 62a_100011215473_100000700193 [0,2,0,0,0,0|1,0,1]=4 15255 B15R0.70 C=CCCCCCCSCCCCCC=O 62a_100000139337_100011215473 [0,2,0,0,0,0|0,0,1]=3 15256 B15R0.70 C=CCCCCCCSCCCCCC=O 62a_100011215473_100000139337 [0,2,0,0,0,0|0,0,1]=3 15257 B15R0.70 C=CCCCCCCSCCCCCCC 62a_100000210614_100011215473 [0,2,0,0,0,0|1,0,0]=3 15258 B15R0.70 C=CCCCCCCSCCCCCCC 62a_100011215473_100000210316 [0,2,0,0,0,0|1,0,0]=3 15259 B15R0.70 C=CCCCCCCSCCCCCCF 62a_100011215473_100015922095 [0,2,0,0,0,0|1,0,0]=3 15260 B15R0.70 C=CCCCCCCSCCCCCCF 62a_100015922095_100011215473 [0,2,0,0,0,0|1,0,0]=3 15261 B15R0.70 C=CCCCCCCSCCCCCCO 62a_100000766143_100011215473 [0,2,0,0,0,0|1,0,0]=3 15262 B15R0.70 C=CCCCCCCSCCCCCCO 62a_100011215473_100000766143 [0,2,0,0,0,0|1,0,0]=3 15263 B15R0.70 C=CCCCCCCSCCOCCCC 62a_100000743108_100011215473 [0,2,0,0,0,0|1,0,0]=3 15264 B15R0.70 C=CCCCCCCSCCOCCCC 62a_100011215473_100000743108 [0,2,0,0,0,0|1,0,0]=3 15265 B15R0.70 C=CCCCCCCSCCOCCOC 62a_100000695917_100011215473 [0,2,0,0,0,0|2,0,0]=4 15266 B15R0.70 C=CCCCCCCSCCOCCOC 62a_100011215473_100000695917 [0,2,0,0,0,0|2,0,0]=4 15267 B15R0.70 C=CCCCCCNCCCCCCCC 2230a_100000229939_100000700193 [0,2,0,0,0,0|1,0,0]=3 15268 B15R0.70 C=CCCCCCNCCCCCCCC 34a_100000229939_100000700193 [0,2,0,0,0,0|1,0,0]=3 15269 B15R0.70 C=CCCCCCNCCCCCCCO 2230a_100011996573_100000700193 [0,2,0,0,0,0|1,0,0]=3 15270 B15R0.70 C=CCCCCCNCCCCCCCO 34a_100011996573_100000700193 [0,2,0,0,0,0|1,0,0]=3 15271 B15R0.70 C=CCCCCCNCCCOCCCC 2230a_200000211371_100000700193 [0,2,0,0,0,0|1,0,0]=3 15272 B15R0.70 C=CCCCCCNCCCOCCCC 34a_200000211371_100000700193 [0,2,0,0,0,0|1,0,0]=3 15273 B15R0.70 C=CCCCCCNCCCOCCCO 2230a_100011310245_100000700193 [0,2,0,0,0,0|2,0,0]=4 15274 B15R0.70 C=CCCCCCNCCCOCCCO 34a_100011310245_100000700193 [0,2,0,0,0,0|2,0,0]=4 15275 B15R0.70 C=CCCCCCNCCCOCCOC 2230a_100000206027_100000700193 [0,2,0,0,0,0|2,0,0]=4 15276 B15R0.70 C=CCCCCCNCCCOCCOC 34a_100000206027_100000700193 [0,2,0,0,0,0|2,0,0]=4 15277 B15R0.70 C=CCCCCCNCCOCCOCC 2230a_100102712874_100000700193 [0,2,0,0,0,0|2,0,0]=4 15278 B15R0.70 C=CCCCCCNCCOCCOCC 34a_100102712874_100000700193 [0,2,0,0,0,0|2,0,0]=4 15279 B15R0.70 C=CCCCCCOC/C=C/CCCCC 34a_100016258190_100000700193 [0,2,0,0,0,0|1,0,1]=4 15280 B15R0.70 C=CCCCCCOC/C=C/CCCCC 7a_100016258190_100000700193 [0,2,0,0,0,0|1,0,1]=4 15281 B15R0.70 C=CCCCCCOCC#CCCCCC 34a_100011216702_100009816472 [0,2,0,0,0,0|1,0,1]=4 15282 B15R0.70 C=CCCCCCOCC#CCCCCC 34a_200000033628_100000700193 [0,2,0,0,0,0|1,0,1]=4 15283 B15R0.70 C=CCCCCCOCC#CCCCCC 7a_100011216702_100009816472 [0,2,0,0,0,0|1,0,1]=4 15284 B15R0.70 C=CCCCCCOCC#CCCCCC 7a_200000033628_100000700193 [0,2,0,0,0,0|1,0,1]=4 15285 B15R0.70 C=CCCCCCOCC/C=C\CCCC 34a_200016286491_100000700193 [0,2,0,0,0,0|1,0,1]=4 15286 B15R0.70 C=CCCCCCOCC/C=C\CCCC 7a_200016286491_100000700193 [0,2,0,0,0,0|1,0,1]=4 15287 B15R0.70 C=CCCCCCOCCC#CCCCC 34a_100000037610_100000700193 [0,2,0,0,0,0|1,0,1]=4 15288 B15R0.70 C=CCCCCCOCCC#CCCCC 7a_100000037610_100000700193 [0,2,0,0,0,0|1,0,1]=4 15289 B15R0.70 C=CCCCCCOCCCC/C=C\CC 34a_100016287862_100000700193 [0,2,0,0,0,0|1,0,1]=4 15290 B15R0.70 C=CCCCCCOCCCC/C=C\CC 7a_100016287862_100000700193 [0,2,0,0,0,0|1,0,1]=4 15291 B15R0.70 C=CCCCCCOCCCCCCC#N 7a_100011216702_100009813337 [0,2,0,0,0,0|1,0,1]=4 15292 B15R0.70 C=CCCCCCOCCCCCCCBr 34a_100000760002_100000700193 [0,2,0,0,0,0|1,0,0]=3 15293 B15R0.70 C=CCCCCCOCCCCCCCBr 7a_100000760002_100000700193 [0,2,0,0,0,0|1,0,0]=3 15294 B15R0.70 C=CCCCCCOCCCCCCCC 34a_100000210232_100000700193 [0,2,0,0,0,0|1,0,0]=3 15295 B15R0.70 C=CCCCCCOCCCCCCCC 34a_100011216702_100000210759 [0,2,0,0,0,0|1,0,0]=3 15296 B15R0.70 C=CCCCCCOCCCCCCCC 7a_100000210232_100000700193 [0,2,0,0,0,0|1,0,0]=3 15297 B15R0.70 C=CCCCCCOCCCCCCCC 7a_100011216702_100000210759 [0,2,0,0,0,0|1,0,0]=3 15298 B15R0.70 C=CCCCCCOCCCCCCCN 34a_100011996573_100000700193 [0,2,0,0,0,0|1,0,0]=3 15299 B15R0.70 C=CCCCCCOCCCCCCCO 34a_100011216702_100000760002 [0,2,0,0,0,0|1,0,0]=3 15300 B15R0.70 C=CCCCCCOCCCCCCCO 7a_100011216702_100000760002 [0,2,0,0,0,0|1,0,0]=3 15301 B15R0.70 C=CCCCCCOCCCCCCOC 34a_100011216702_100011998445 [0,2,0,0,0,0|1,0,0]=3 15302 B15R0.70 C=CCCCCCOCCCCCCOC 34a_200012092642_100000700193 [0,2,0,0,0,0|1,0,0]=3 15303 B15R0.70 C=CCCCCCOCCCCCCOC 7a_100011216702_100011998445 [0,2,0,0,0,0|1,0,0]=3 15304 B15R0.70 C=CCCCCCOCCCCCCOC 7a_200012092642_100000700193 [0,2,0,0,0,0|1,0,0]=3 15305 B15R0.70 C=CCCCCCOCCCOCCCC 34a_200011215613_100000700193 [0,2,0,0,0,0|1,0,0]=3 15306 B15R0.70 C=CCCCCCOCCCOCCCC 7a_200011215613_100000700193 [0,2,0,0,0,0|1,0,0]=3 15307 B15R0.70 C=CCCCCCOCCCOCCCN 34a_100011310245_100000700193 [0,2,0,0,0,0|2,0,0]=4 15308 B15R0.70 C=CCCCCCOCCCOCCOC 34a_100011216702_100011216529 [0,2,0,0,0,0|2,0,0]=4 15309 B15R0.70 C=CCCCCCOCCCOCCOC 7a_100011216702_100011216529 [0,2,0,0,0,0|2,0,0]=4 15310 B15R0.70 C=CCCCCCOCCNCCCCC 34a_100000224656_100000700193 [0,2,0,0,0,0|1,0,0]=3 15311 B15R0.70 C=CCCCCCOCCOCCCCC 34a_100011215259_100000700193 [0,2,0,0,0,0|1,0,0]=3 15312 B15R0.70 C=CCCCCCOCCOCCCCC 7a_100011215259_100000700193 [0,2,0,0,0,0|1,0,0]=3 15313 B15R0.70 C=CCCCCCOCCOCCOCC 34a_100000210240_100000700193 [0,2,0,0,0,0|2,0,0]=4 15314 B15R0.70 C=CCCCCCOCCOCCOCC 34a_100011216702_100011211534 [0,2,0,0,0,0|2,0,0]=4 15315 B15R0.70 C=CCCCCCOCCOCCOCC 7a_100000210240_100000700193 [0,2,0,0,0,0|2,0,0]=4 15316 B15R0.70 C=CCCCCCOCCOCCOCC 7a_100011216702_100011211534 [0,2,0,0,0,0|2,0,0]=4 15317 B15R0.70 C=CCCCCCSCC#CCCCCC 62a_100000700193_100009816472 [0,2,0,0,0,0|1,0,1]=4 15318 B15R0.70 C=CCCCCCSCC#CCCCCC 62a_100009816472_100000700193 [0,2,0,0,0,0|1,0,1]=4 15319 B15R0.70 C=CCCCCCSCCCCCCC#N 62a_100000700193_100009813337 [0,2,0,0,0,0|1,0,1]=4 15320 B15R0.70 C=CCCCCCSCCCCCCC#N 62a_100009813337_100000700193 [0,2,0,0,0,0|1,0,1]=4 15321 B15R0.70 C=CCCCCCSCCCCCCCC 62a_100000210759_100000700193 [0,2,0,0,0,0|1,0,0]=3 15322 B15R0.70 C=CCCCCCSCCCCCCCC 62a_100000700193_100000210317 [0,2,0,0,0,0|1,0,0]=3 15323 B15R0.70 C=CCCCCCSCCCCCCCO 62a_100000700193_100000760002 [0,2,0,0,0,0|1,0,0]=3 15324 B15R0.70 C=CCCCCCSCCCCCCCO 62a_100000760002_100000700193 [0,2,0,0,0,0|1,0,0]=3 15325 B15R0.70 C=CCCCCCSCCCCCCOC 62a_100000700193_100011998445 [0,2,0,0,0,0|1,0,0]=3 15326 B15R0.70 C=CCCCCCSCCCCCCOC 62a_100011998445_100000700193 [0,2,0,0,0,0|1,0,0]=3 15327 B15R0.70 C=CCCCCCSCCCOCCOC 62a_100000700193_100011216529 [0,2,0,0,0,0|2,0,0]=4 15328 B15R0.70 C=CCCCCCSCCCOCCOC 62a_100011216529_100000700193 [0,2,0,0,0,0|2,0,0]=4 15329 B15R0.70 C=CCCCCCSCCOCCOCC 62a_100000700193_100011211534 [0,2,0,0,0,0|2,0,0]=4 15330 B15R0.70 C=CCCCCCSCCOCCOCC 62a_100011211534_100000700193 [0,2,0,0,0,0|2,0,0]=4 15331 B15R0.70 C=CCCCCNCCCC#CCCCC 2230a_100000703577_200000047210 [0,2,0,0,0,0|1,0,1]=4 15332 B15R0.70 C=CCCCCNCCCC#CCCCC 34a_100000703577_200000047210 [0,2,0,0,0,0|1,0,1]=4 15333 B15R0.70 C=CCCCCNCCCCC/C=C\CC 269862a_100000703577_100016288537 [0,2,0,0,0,0|1,0,1]=4 15334 B15R0.70 C=CCCCCNCCCCCCCCC 2230a_100000212291_100011215482 [0,2,0,0,0,0|1,0,0]=3 15335 B15R0.70 C=CCCCCNCCCCCCCCC 2230a_100000703577_100011214924 [0,2,0,0,0,0|1,0,0]=3 15336 B15R0.70 C=CCCCCNCCCCCCCCC 34a_100000212291_100011215482 [0,2,0,0,0,0|1,0,0]=3 15337 B15R0.70 C=CCCCCNCCCCCCCCC 34a_100000703577_100011214924 [0,2,0,0,0,0|1,0,0]=3 15338 B15R0.70 C=CCCCCNCCCCCCCCO 2230a_100000703577_100000033203 [0,2,0,0,0,0|1,0,0]=3 15339 B15R0.70 C=CCCCCNCCCCCCCCO 2230a_102515433106_100011215482 [0,2,0,0,0,0|1,0,0]=3 15340 B15R0.70 C=CCCCCNCCCCCCCCO 34a_100000703577_100000033203 [0,2,0,0,0,0|1,0,0]=3 15341 B15R0.70 C=CCCCCNCCCCCCCCO 34a_102515433106_100011215482 [0,2,0,0,0,0|1,0,0]=3 15342 B15R0.70 C=CCCCCNCCOCCOCCC 2230a_200011904461_100011215482 [0,2,0,0,0,0|2,0,0]=4 15343 B15R0.70 C=CCCCCNCCOCCOCCC 34a_200011904461_100011215482 [0,2,0,0,0,0|2,0,0]=4 15344 B15R0.70 C=CCCCCOC/C=C/CCCCCC 34a_200016276170_100011215482 [0,2,0,0,0,0|1,0,1]=4 15345 B15R0.70 C=CCCCCOC/C=C/CCCCCC 7a_200016276170_100011215482 [0,2,0,0,0,0|1,0,1]=4 15346 B15R0.70 C=CCCCCOCC#CCCCCCC 34a_200000037284_100011215482 [0,2,0,0,0,0|1,0,1]=4 15347 B15R0.70 C=CCCCCOCC#CCCCCCC 7a_200000037284_100011215482 [0,2,0,0,0,0|1,0,1]=4 15348 B15R0.70 C=CCCCCOCC/C=C\CCCCC 34a_100016277358_100011215482 [0,2,0,0,0,0|1,0,1]=4 15349 B15R0.70 C=CCCCCOCC/C=C\CCCCC 7a_100016277358_100011215482 [0,2,0,0,0,0|1,0,1]=4 15350 B15R0.70 C=CCCCCOCCC#CCCCCC 34a_200000042877_100011215482 [0,2,0,0,0,0|1,0,1]=4 15351 B15R0.70 C=CCCCCOCCC#CCCCCC 7a_200000042877_100011215482 [0,2,0,0,0,0|1,0,1]=4 15352 B15R0.70 C=CCCCCOCCCC#CCCCC 34a_100000766645_200000047210 [0,2,0,0,0,0|1,0,1]=4 15353 B15R0.70 C=CCCCCOCCCC#CCCCC 7a_100000766645_200000047210 [0,2,0,0,0,0|1,0,1]=4 15354 B15R0.70 C=CCCCCOCCCCC/C=C\CC 34a_100016268722_100011215482 [0,2,0,0,0,0|1,0,1]=4 15355 B15R0.70 C=CCCCCOCCCCC/C=C\CC 7a_100016268722_100011215482 [0,2,0,0,0,0|1,0,1]=4 15356 B15R0.70 C=CCCCCOCCCCCCCCBr 34a_100009813846_100011215482 [0,2,0,0,0,0|1,0,0]=3 15357 B15R0.70 C=CCCCCOCCCCCCCCBr 7a_100009813846_100011215482 [0,2,0,0,0,0|1,0,0]=3 15358 B15R0.70 C=CCCCCOCCCCCCCCC 34a_100000210712_100011215482 [0,2,0,0,0,0|1,0,0]=3 15359 B15R0.70 C=CCCCCOCCCCCCCCC 34a_100000766645_100011214924 [0,2,0,0,0,0|1,0,0]=3 15360 B15R0.70 C=CCCCCOCCCCCCCCC 7a_100000210712_100011215482 [0,2,0,0,0,0|1,0,0]=3 15361 B15R0.70 C=CCCCCOCCCCCCCCC 7a_100000766645_100000210328 [0,2,0,0,0,0|1,0,0]=3 15362 B15R0.70 C=CCCCCOCCCCCCCCCl 34a_100000033203_100011215482 [0,2,0,0,0,0|1,0,0]=3 15363 B15R0.70 C=CCCCCOCCCCCCCCCl 7a_100000033203_100011215482 [0,2,0,0,0,0|1,0,0]=3 15364 B15R0.70 C=CCCCCOCCCCCCCCN 34a_102515433106_100011215482 [0,2,0,0,0,0|1,0,0]=3 15365 B15R0.70 C=CCCCCOCCCCCCCCO 34a_100000766645_100000033203 [0,2,0,0,0,0|1,0,0]=3 15366 B15R0.70 C=CCCCCOCCCCCCCCO 7a_100000766645_100000033203 [0,2,0,0,0,0|1,0,0]=3 15367 B15R0.70 C=CCCCCOCCCCCNCCN 34a_103619048469_100011215482 [0,2,0,0,0,0|2,0,0]=4 15368 B15R0.70 C=CCCCCOCCCCNCCCC 34a_200011216965_100011215482 [0,2,0,0,0,0|1,0,0]=3 15369 B15R0.70 C=CCCCCOCCCCOCCCC 34a_200000760531_100011215482 [0,2,0,0,0,0|1,0,0]=3 15370 B15R0.70 C=CCCCCOCCCCOCCCC 7a_200000760531_100011215482 [0,2,0,0,0,0|1,0,0]=3 15371 B15R0.70 C=CCCCCOCCCOCCCOC 34a_200011215475_100011215482 [0,2,0,0,0,0|2,0,0]=4 15372 B15R0.70 C=CCCCCOCCCOCCCOC 7a_200011215475_100011215482 [0,2,0,0,0,0|2,0,0]=4 15373 B15R0.70 C=CCCCCOCCOCCCCCC 34a_100000691444_100011215482 [0,2,0,0,0,0|1,0,0]=3 15374 B15R0.70 C=CCCCCOCCOCCCCCC 7a_100000691444_100011215482 [0,2,0,0,0,0|1,0,0]=3 15375 B15R0.70 C=CCCCCSCCCC#CCCCC 62a_100011215482_200000047210 [0,2,0,0,0,0|1,0,1]=4 15376 B15R0.70 C=CCCCCSCCCC#CCCCC 62a_200000047210_100011215482 [0,2,0,0,0,0|1,0,1]=4 15377 B15R0.70 C=CCCCCSCCCCCCCCC 62a_100011215482_100000210670 [0,2,0,0,0,0|1,0,0]=3 15378 B15R0.70 C=CCCCCSCCCCCCCCO 62a_100000033203_100011215482 [0,2,0,0,0,0|1,0,0]=3 15379 B15R0.70 C=CCCCCSCCCCCCCCO 62a_100011215482_100000033203 [0,2,0,0,0,0|1,0,0]=3 15380 B15R0.70 C=CCCCNCCCCCCC#CCC 2230a_100000700776_200000036426 [0,2,0,0,0,0|1,0,1]=4 15381 B15R0.70 C=CCCCNCCCCCCC#CCC 34a_100000700776_200000036426 [0,2,0,0,0,0|1,0,1]=4 15382 B15R0.70 C=CCCCNCCCCCCCCCC 2230a_100000684558_100011713584 [0,2,0,0,0,0|1,0,0]=3 15383 B15R0.70 C=CCCCNCCCCCCCCCC 2230a_100000700776_100000210320 [0,2,0,0,0,0|1,0,0]=3 15384 B15R0.70 C=CCCCNCCCCCCCCCC 34a_100000684558_100000757094 [0,2,0,0,0,0|1,0,0]=3 15385 B15R0.70 C=CCCCNCCCCCCCCCC 34a_100000700776_100000210320 [0,2,0,0,0,0|1,0,0]=3 15386 B15R0.70 C=CCCCNCCCCCCCCCO 2230a_100000078944_100011713584 [0,2,0,0,0,0|1,0,0]=3 15387 B15R0.70 C=CCCCNCCCCCCCCCO 2230a_100000700776_100009813782 [0,2,0,0,0,0|1,0,0]=3 15388 B15R0.70 C=CCCCNCCCCCCCCCO 34a_100000078944_100000757094 [0,2,0,0,0,0|1,0,0]=3 15389 B15R0.70 C=CCCCNCCCCCCCCCO 34a_100000700776_100009813782 [0,2,0,0,0,0|1,0,0]=3 15390 B15R0.70 C=CCCCOCC#CCCCCCCC 34a_200000061759_100000757094 [0,2,0,0,0,0|1,0,1]=4 15391 B15R0.70 C=CCCCOCC#CCCCCCCC 7a_200000061759_100000757094 [0,2,0,0,0,0|1,0,1]=4 15392 B15R0.70 C=CCCCOCCC#CCCCCCC 34a_200000033163_100000757094 [0,2,0,0,0,0|1,0,1]=4 15393 B15R0.70 C=CCCCOCCC#CCCCCCC 7a_200000033163_100000757094 [0,2,0,0,0,0|1,0,1]=4 15394 B15R0.70 C=CCCCOCCC/C=C\CCCCC 34a_100020655193_100000757094 [0,2,0,0,0,0|1,0,1]=4 15395 B15R0.70 C=CCCCOCCC/C=C\CCCCC 7a_100020655193_100000757094 [0,2,0,0,0,0|1,0,1]=4 15396 B15R0.70 C=CCCCOCCCC/C=C/CCCC 34a_200020645093_100000757094 [0,2,0,0,0,0|1,0,1]=4 15397 B15R0.70 C=CCCCOCCCC/C=C/CCCC 7a_200020645093_100000757094 [0,2,0,0,0,0|1,0,1]=4 15398 B15R0.70 C=CCCCOCCCCC#CCCCC 34a_200000066234_100000757094 [0,2,0,0,0,0|1,0,1]=4 15399 B15R0.70 C=CCCCOCCCCC#CCCCC 7a_200000066234_100000757094 [0,2,0,0,0,0|1,0,1]=4 15400 B15R0.70 C=CCCCOCCCCCCC#CCC 34a_100000758997_200000036426 [0,2,0,0,0,0|1,0,1]=4 15401 B15R0.70 C=CCCCOCCCCCCC#CCC 7a_100000758997_200000036426 [0,2,0,0,0,0|1,0,1]=4 15402 B15R0.70 C=CCCCOCCCCCCCCCBr 34a_100009813782_100000757094 [0,2,0,0,0,0|1,0,0]=3 15403 B15R0.70 C=CCCCOCCCCCCCCCBr 7a_100009813782_100000757094 [0,2,0,0,0,0|1,0,0]=3 15404 B15R0.70 C=CCCCOCCCCCCCCCC 34a_100000210711_100000757094 [0,2,0,0,0,0|1,0,0]=3 15405 B15R0.70 C=CCCCOCCCCCCCCCC 34a_100000758997_100000210320 [0,2,0,0,0,0|1,0,0]=3 15406 B15R0.70 C=CCCCOCCCCCCCCCC 7a_100000210711_100000757094 [0,2,0,0,0,0|1,0,0]=3 15407 B15R0.70 C=CCCCOCCCCCCCCCC 7a_100000758997_100000210320 [0,2,0,0,0,0|1,0,0]=3 15408 B15R0.70 C=CCCCOCCCCCCCCCCl 34a_100009868337_100000757094 [0,2,0,0,0,0|1,0,0]=3 15409 B15R0.70 C=CCCCOCCCCCCCCCCl 7a_100009868337_100000757094 [0,2,0,0,0,0|1,0,0]=3 15410 B15R0.70 C=CCCCOCCCCCCCCCN 34a_100000078944_100000757094 [0,2,0,0,0,0|1,0,0]=3 15411 B15R0.70 C=CCCCOCCCCCCCCCO 34a_100000758997_100009813782 [0,2,0,0,0,0|1,0,0]=3 15412 B15R0.70 C=CCCCOCCCCCCCCCO 7a_100000758997_100009813782 [0,2,0,0,0,0|1,0,0]=3 15413 B15R0.70 C=CCCCOCCOCCOCCCC 34a_100011215186_100000757094 [0,2,0,0,0,0|2,0,0]=4 15414 B15R0.70 C=CCCCOCCOCCOCCCC 7a_100011215186_100000757094 [0,2,0,0,0,0|2,0,0]=4 15415 B15R0.70 C=CCCCSCCCCCCC#CCC 62a_100011713584_200000036426 [0,2,0,0,0,0|1,0,1]=4 15416 B15R0.70 C=CCCCSCCCCCCC#CCC 62a_200000036426_100000757094 [0,2,0,0,0,0|1,0,1]=4 15417 B15R0.70 C=CCCCSCCCCCCCCCC 62a_100011713584_100000210320 [0,2,0,0,0,0|1,0,0]=3 15418 B15R0.70 C=CCCCSCCCCCCCCCO 62a_100009813782_100000757094 [0,2,0,0,0,0|1,0,0]=3 15419 B15R0.70 C=CCCCSCCCCCCCCCO 62a_100011713584_100009813782 [0,2,0,0,0,0|1,0,0]=3 15420 B15R0.70 C=CCCNCCCCCCC/C=C\CC 269862a_100015191253_200025770492 [0,2,0,0,0,0|1,0,1]=4 15421 B15R0.70 C=CCCNCCCCCCCCCCC 2230a_100015191253_100011215454 [0,2,0,0,0,0|1,0,0]=3 15422 B15R0.70 C=CCCNCCCCCCCCCCC 2230a_200011215754_100000754431 [0,2,0,0,0,0|1,0,0]=3 15423 B15R0.70 C=CCCNCCCCCCCCCCC 34a_200011215754_100000754431 [0,2,0,0,0,0|1,0,0]=3 15424 B15R0.70 C=CCCNCCCCCCCCCCO 2230a_100000066964_100000754431 [0,2,0,0,0,0|1,0,0]=3 15425 B15R0.70 C=CCCNCCCCCCCCCCO 2230a_100015191253_100009813290 [0,2,0,0,0,0|1,0,0]=3 15426 B15R0.70 C=CCCNCCCCCCCCCCO 34a_100000066964_100000754431 [0,2,0,0,0,0|1,0,0]=3 15427 B15R0.70 C=CCCOC/C=C/CCCCCCCC 34a_200020667288_100000754431 [0,2,0,0,0,0|1,0,1]=4 15428 B15R0.70 C=CCCOC/C=C/CCCCCCCC 7a_200020667288_100000754431 [0,2,0,0,0,0|1,0,1]=4 15429 B15R0.70 C=CCCOCCCCCCCCCCBr 34a_100009813290_100000754431 [0,2,0,0,0,0|1,0,0]=3 15430 B15R0.70 C=CCCOCCCCCCCCCCBr 7a_100009813290_100000754431 [0,2,0,0,0,0|1,0,0]=3 15431 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100000210809_100000754431 [0,2,0,0,0,0|1,0,0]=3 15432 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100011205117_100011215454 [0,2,0,0,0,0|1,0,0]=3 15433 B15R0.70 C=CCCOCCCCCCCCCCC 7a_100000210809_100000754431 [0,2,0,0,0,0|1,0,0]=3 15434 B15R0.70 C=CCCOCCCCCCCCCCCl 34a_200000033068_100000754431 [0,2,0,0,0,0|1,0,0]=3 15435 B15R0.70 C=CCCOCCCCCCCCCCCl 7a_200000033068_100000754431 [0,2,0,0,0,0|1,0,0]=3 15436 B15R0.70 C=CCCOCCCCCCCCCCN 34a_100000066964_100000754431 [0,2,0,0,0,0|1,0,0]=3 15437 B15R0.70 C=CCCOCCCCCCCCCCO 34a_100011205117_100009813290 [0,2,0,0,0,0|1,0,0]=3 15438 B15R0.70 C=CCCSCCCCCCCCCCC 62a_100000754431_100011215454 [0,2,0,0,0,0|1,0,0]=3 15439 B15R0.70 C=CCCSCCCCCCCCCCO 62a_100000754431_200000033068 [0,2,0,0,0,0|1,0,0]=3 15440 B15R0.70 C=CCCSCCCCCCCCCCO 62a_100009813290_100000754431 [0,2,0,0,0,0|1,0,0]=3 15441 B15R0.70 C=CCNCCCCCCC#CCCCC 2230a_100020586998_200000043322 [0,2,0,0,0,0|1,0,1]=4 15442 B15R0.70 C=CCNCCCCCCCCCCCC 2230a_100000210451_100000210623 [0,2,0,0,0,0|1,0,0]=3 15443 B15R0.70 C=CCNCCCCCCCCCCCC 2230a_100020586998_100011215052 [0,2,0,0,0,0|1,0,0]=3 15444 B15R0.70 C=CCNCCCCCCCCCCCC 270004a_100020586998_100011218549 [0,2,0,0,0,0|1,0,0]=3 15445 B15R0.70 C=CCNCCCCCCCCCCCC 34a_100000210451_100015514636 [0,2,0,0,0,0|1,0,0]=3 15446 B15R0.70 C=CCNCCCCCCCCCCCO 2230a_100020586998_100009812471 [0,2,0,0,0,0|1,0,0]=3 15447 B15R0.70 C=CCOC/C=C/CCCCCCCCC 34a_100015232335_100015514636 [0,2,0,0,0,0|1,0,1]=4 15448 B15R0.70 C=CCOC/C=C/CCCCCCCCC 7a_100015232335_100015514636 [0,2,0,0,0,0|1,0,1]=4 15449 B15R0.70 C=CCOCCCCCCC#CCCCC 34a_200000210373_200000043322 [0,2,0,0,0,0|1,0,1]=4 15450 B15R0.70 C=CCOCCCCCCCCC#CCC 34a_200000031908_100015514636 [0,2,0,0,0,0|1,0,1]=4 15451 B15R0.70 C=CCOCCCCCCCCC#CCC 7a_200000031908_100015514636 [0,2,0,0,0,0|1,0,1]=4 15452 B15R0.70 C=CCOCCCCCCCCCCCBr 34a_100009812471_100015514636 [0,2,0,0,0,0|1,0,0]=3 15453 B15R0.70 C=CCOCCCCCCCCCCCBr 7a_100009812471_100015514636 [0,2,0,0,0,0|1,0,0]=3 15454 B15R0.70 C=CCOCCCCCCCCCCCC 34a_100000210810_100015514636 [0,2,0,0,0,0|1,0,0]=3 15455 B15R0.70 C=CCOCCCCCCCCCCCC 34a_200000210373_100000759014 [0,2,0,0,0,0|1,0,0]=3 15456 B15R0.70 C=CCOCCCCCCCCCCCC 7a_100000210810_100015514636 [0,2,0,0,0,0|1,0,0]=3 15457 B15R0.70 C=CCOCCCCCCCCCCCO 34a_200000210373_100009812471 [0,2,0,0,0,0|1,0,0]=3 15458 B15R0.70 C=CCOCCCCCCCCCOCC 34a_100009875440_100015514636 [0,2,0,0,0,0|1,0,0]=3 15459 B15R0.70 C=CCOCCCCCCCCCOCC 7a_100009875440_100015514636 [0,2,0,0,0,0|1,0,0]=3 15460 B15R0.70 C=CCOCCOCCCCCCCCC 34a_100000037705_100011214924 [0,2,0,0,0,0|1,0,0]=3 15461 B15R0.70 C=CCOCCOCCCCCCCCC 7a_100000037705_100000210328 [0,2,0,0,0,0|1,0,0]=3 15462 B15R0.70 C=CCOCCOCCCCCCCCO 34a_100000037705_100000033203 [0,2,0,0,0,0|2,0,0]=4 15463 B15R0.70 C=CCOCCOCCCCCCCCO 7a_100000037705_100000033203 [0,2,0,0,0,0|2,0,0]=4 15464 B15R0.70 C=CCOCCOCCOCCCCCC 34a_100000032842_100015514636 [0,2,0,0,0,0|2,0,0]=4 15465 B15R0.70 C=CCOCCOCCOCCCCCC 34a_100000065479_100000210314 [0,2,0,0,0,0|2,0,0]=4 15466 B15R0.70 C=CCOCCOCCOCCCCCC 7a_100000032842_100015514636 [0,2,0,0,0,0|2,0,0]=4 15467 B15R0.70 C=CCOCCOCCOCCCCCC 7a_100000065479_100000210314 [0,2,0,0,0,0|2,0,0]=4 15468 B15R0.70 C=CCSCCCCCCC#CCCCC 62a_100000210623_200000043322 [0,2,0,0,0,0|1,0,1]=4 15469 B15R0.70 C=CCSCCCCCCC#CCCCC 62a_200000043322_100000210623 [0,2,0,0,0,0|1,0,1]=4 15470 B15R0.70 C=CCSCCCCCCCCCCCC 62a_100000210623_100000759014 [0,2,0,0,0,0|1,0,0]=3 15471 B15R0.70 C=CCSCCCCCCCCCCCO 62a_100009812471_100000210623 [0,2,0,0,0,0|1,0,0]=3 15472 B15R0.70 C=COCCCCOCCCCCCCC 34a_100000031558_100000210759 [0,2,0,0,0,0|1,0,0]=3 15473 B15R0.70 C=COCCCCOCCCCCCCC 7a_100000031558_100000210759 [0,2,0,0,0,0|1,0,0]=3 15474 B15R0.70 C=COCCCCOCCCCCCCO 34a_100000031558_100000760002 [0,2,0,0,0,0|2,0,0]=4 15475 B15R0.70 C=COCCCCOCCCCCCCO 7a_100000031558_100000760002 [0,2,0,0,0,0|2,0,0]=4 15476 B15R0.70 C=COCCCCOCCCCCCOC 34a_100000031558_100011998445 [0,2,0,0,0,0|2,0,0]=4 15477 B15R0.70 C=COCCCCOCCCCCCOC 7a_100000031558_100011998445 [0,2,0,0,0,0|2,0,0]=4 15478 B15R0.70 C=COCCCNCCCCCCCCC 2230a_100000210767_100011214924 [0,2,0,0,0,0|1,0,0]=3 15479 B15R0.70 C=COCCCNCCCCCCCCC 34a_100000210767_100011214924 [0,2,0,0,0,0|1,0,0]=3 15480 B15R0.70 C=COCCCNCCCCCCCCO 2230a_100000210767_100000033203 [0,2,0,0,0,0|2,0,0]=4 15481 B15R0.70 C=COCCCNCCCCCCCCO 34a_100000210767_100000033203 [0,2,0,0,0,0|2,0,0]=4 15482 B15R0.70 C=COCCNCCCCCCCCCC 2230a_100000684558_100000039644 [0,2,0,0,0,0|1,0,0]=3 15483 B15R0.70 C=COCCNCCCCCCCCCC 34a_100000684558_100000039644 [0,2,0,0,0,0|1,0,0]=3 15484 B15R0.70 C=COCCNCCCCCCCCCO 2230a_100000078944_100000039644 [0,2,0,0,0,0|2,0,0]=4 15485 B15R0.70 C=COCCNCCCCCCCCCO 34a_100000078944_100000039644 [0,2,0,0,0,0|2,0,0]=4 15486 B15R0.70 C=COCCOCCCCCCCCCBr 34a_100009813782_100000039644 [0,2,0,0,0,0|2,0,0]=4 15487 B15R0.70 C=COCCOCCCCCCCCCBr 7a_100009813782_100000039644 [0,2,0,0,0,0|2,0,0]=4 15488 B15R0.70 C=COCCOCCCCCCCCCC 34a_100000033082_100000210320 [0,2,0,0,0,0|1,0,0]=3 15489 B15R0.70 C=COCCOCCCCCCCCCC 34a_100000210711_100000039644 [0,2,0,0,0,0|1,0,0]=3 15490 B15R0.70 C=COCCOCCCCCCCCCC 7a_100000210711_100000039644 [0,2,0,0,0,0|1,0,0]=3 15491 B15R0.70 C=COCCOCCCCCCCCCCl 34a_100009868337_100000039644 [0,2,0,0,0,0|2,0,0]=4 15492 B15R0.70 C=COCCOCCCCCCCCCCl 7a_100009868337_100000039644 [0,2,0,0,0,0|2,0,0]=4 15493 B15R0.70 C=COCCOCCCCCCCCCN 34a_100000078944_100000039644 [0,2,0,0,0,0|2,0,0]=4 15494 B15R0.70 C=COCCOCCCCCCCCCO 34a_100000033082_100009813782 [0,2,0,0,0,0|2,0,0]=4 15495 B15R0.70 C=COCCOCCOCCCCCCC 34a_100000039918_100000210614 [0,2,0,0,0,0|2,0,0]=4 15496 B15R0.70 C=COCCOCCOCCCCCCC 7a_100000039918_100000210614 [0,2,0,0,0,0|2,0,0]=4 15497 B15R0.70 C=COCCSCCCCCCCCCC 62a_100000039644_100000210320 [0,2,0,0,0,0|1,0,0]=3 15498 B15R0.70 C=COCCSCCCCCCCCCO 62a_100000039644_100009813782 [0,2,0,0,0,0|2,0,0]=4 15499 B15R0.70 C=COCCSCCCCCCCCCO 62a_100009813782_100000039644 [0,2,0,0,0,0|2,0,0]=4 15500 B15R0.70 CC#CCCOCCCCCCCCCC 34a_100000750427_100000210320 [0,2,0,0,0,0|1,0,1]=4 15501 B15R0.70 CC#CCNCCCCCCCCCCC 2230a_100000685387_100011215454 [0,2,0,0,0,0|1,0,1]=4 15502 B15R0.70 CC#CCNCCCCCCCCCCC 2230a_200011215754_100000748600 [0,2,0,0,0,0|1,0,1]=4 15503 B15R0.70 CC#CCNCCCCCCCCCCC 34a_100000685387_100011215454 [0,2,0,0,0,0|1,0,1]=4 15504 B15R0.70 CC#CCNCCCCCCCCCCC 34a_200011215754_100000748600 [0,2,0,0,0,0|1,0,1]=4 15505 B15R0.70 CC#CCOCCCCCCCCCCC 34a_100000210809_100000748600 [0,2,0,0,0,0|1,0,1]=4 15506 B15R0.70 CC#CCOCCCCCCCCCCC 34a_100000761923_100011215454 [0,2,0,0,0,0|1,0,1]=4 15507 B15R0.70 CC#CCOCCCCCCCCCCC 7a_100000210809_100000748600 [0,2,0,0,0,0|1,0,1]=4 15508 B15R0.70 CC#CCSCCCCCCCCCCC 62a_100000748600_100011215454 [0,2,0,0,0,0|1,0,1]=4 15509 B15R0.70 CC/C=C/CCCCCCCCCCOC 34a_200025759790_200000210301 [0,2,0,0,0,0|1,0,1]=4 15510 B15R0.70 CC/C=C/CCCCCCCCCCOC 7a_200025759790_200000210301 [0,2,0,0,0,0|1,0,1]=4 15511 B15R0.70 CC/C=C/CCCCCCCCCCO[13CH3] 34a_200025759790_200025704644 [0,2,0,0,0,0|1,0,1]=4 15512 B15R0.70 CC/C=C/CCCCCCCCCCO[13CH3] 7a_200025759790_200025704644 [0,2,0,0,0,0|1,0,1]=4 15513 B15R0.70 CC/C=C/CCCOCCCCCCCC 34a_100016287902_100000210759 [0,2,0,0,0,0|1,0,1]=4 15514 B15R0.70 CC/C=C/CCCOCCCCCCCC 7a_100016287902_100000210759 [0,2,0,0,0,0|1,0,1]=4 15515 B15R0.70 CC/C=C\CCCCCCCNCCCC 269862a_100000102301_200025770492 [0,2,0,0,0,0|1,0,1]=4 15516 B15R0.70 CC/C=C\CCCCCNCCCCCC 269862a_100000210581_100016288537 [0,2,0,0,0,0|1,0,1]=4 15517 B15R0.70 CC/C=C\CCCCCOCCCCC=O 7a_100016268722_100000139335 [0,2,0,0,0,0|0,0,1]=3 15518 B15R0.70 CC/C=C\CCCCCOCCCCCC 34a_100016268722_100000210314 [0,2,0,0,0,0|1,0,1]=4 15519 B15R0.70 CC/C=C\CCCCCOCCCCCC 7a_100016268722_100000210314 [0,2,0,0,0,0|1,0,1]=4 15520 B15R0.70 CC/C=C\CCCCOCCCCCC=O 7a_100016287862_100000139337 [0,2,0,0,0,0|0,0,1]=3 15521 B15R0.70 CC/C=C\CCCCOCCCCCCC 34a_100016287862_100000210614 [0,2,0,0,0,0|1,0,1]=4 15522 B15R0.70 CC/C=C\CCCCOCCCCCCC 7a_100016287862_100000210614 [0,2,0,0,0,0|1,0,1]=4 15523 B15R0.70 CC/C=C\CCNCCCCCCCCC 2230a_100000212291_100015370543 [0,2,0,0,0,0|1,0,1]=4 15524 B15R0.70 CC/C=C\CCNCCCCCCCCC 34a_100000212291_100015370543 [0,2,0,0,0,0|1,0,1]=4 15525 B15R0.70 CC/C=C\CCOCCCCCCCCC 34a_100000210712_100015370543 [0,2,0,0,0,0|1,0,1]=4 15526 B15R0.70 CC/C=C\CCOCCCCCCCCC 34a_100016288707_100011214924 [0,2,0,0,0,0|1,0,1]=4 15527 B15R0.70 CC/C=C\CCOCCCCCCCCC 7a_100000210712_100015370543 [0,2,0,0,0,0|1,0,1]=4 15528 B15R0.70 CC/C=C\CCOCCCCCCCCC 7a_100016288707_100000210328 [0,2,0,0,0,0|1,0,1]=4 15529 B15R0.70 CC/C=C\CCSCCCCCCCCC 62a_100015370543_100000210670 [0,2,0,0,0,0|1,0,1]=4 15530 B15R0.70 CC/C=C\CNCCCCCCCCCC 2230a_100000684558_100103147603 [0,2,0,0,0,0|1,0,1]=4 15531 B15R0.70 CC/C=C\CNCCCCCCCCCC 34a_100000684558_100103147603 [0,2,0,0,0,0|1,0,1]=4 15532 B15R0.70 CC/C=C\COCCCCCCCCCC 34a_100000210711_100103147603 [0,2,0,0,0,0|1,0,1]=4 15533 B15R0.70 CC/C=C\COCCCCCCCCCC 34a_100016268518_100000210320 [0,2,0,0,0,0|1,0,1]=4 15534 B15R0.70 CC/C=C\COCCCCCCCCCC 7a_100000210711_100103147603 [0,2,0,0,0,0|1,0,1]=4 15535 B15R0.70 CC/C=C\CSCCCCCCCCCC 62a_100103147603_100000210320 [0,2,0,0,0,0|1,0,1]=4 15536 B15R0.70 CC=C=CCCOCCCCCCCCC 34a_100011020354_100011214924 [0,2,0,0,0,0|1,0,1]=4 15537 B15R0.70 CC=CCCCOCCCCCCCCC 34a_100020645299_100011214924 [0,2,0,0,0,0|1,0,0]=3 15538 B15R0.70 CC=CCCCOCCCCCCCCO 34a_100020645299_100000033203 [0,2,0,0,0,0|1,0,1]=4 15539 B15R0.70 CC=CCNCCCCCCCCCCC 2230a_200011215754_100000070051 [0,2,0,0,0,0|1,0,0]=3 15540 B15R0.70 CC=CCNCCCCCCCCCCC 34a_200011215754_100000070051 [0,2,0,0,0,0|1,0,0]=3 15541 B15R0.70 CC=CCNCCCCCCCCCCO 2230a_100000066964_100000070051 [0,2,0,0,0,0|1,0,1]=4 15542 B15R0.70 CC=CCNCCCCCCCCCCO 34a_100000066964_100000070051 [0,2,0,0,0,0|1,0,1]=4 15543 B15R0.70 CC=CCOCCCCCCCCCCBr 34a_100009813290_100000070051 [0,2,0,0,0,0|1,0,1]=4 15544 B15R0.70 CC=CCOCCCCCCCCCCBr 7a_100009813290_100000070051 [0,2,0,0,0,0|1,0,1]=4 15545 B15R0.70 CC=CCOCCCCCCCCCCC 34a_100000210809_100000070051 [0,2,0,0,0,0|1,0,0]=3 15546 B15R0.70 CC=CCOCCCCCCCCCCC 7a_100000210809_100000070051 [0,2,0,0,0,0|1,0,0]=3 15547 B15R0.70 CC=CCOCCCCCCCCCCCl 34a_200000033068_100000070051 [0,2,0,0,0,0|1,0,1]=4 15548 B15R0.70 CC=CCOCCCCCCCCCCCl 7a_200000033068_100000070051 [0,2,0,0,0,0|1,0,1]=4 15549 B15R0.70 CC=CCOCCCCCCCCCCN 34a_100000066964_100000070051 [0,2,0,0,0,0|1,0,1]=4 15550 B15R0.70 CC=CCSCCCCCCCCCCC 62a_100000070051_100011215454 [0,2,0,0,0,0|1,0,0]=3 15551 B15R0.70 CC=CCSCCCCCCCCCCO 62a_100000070051_200000033068 [0,2,0,0,0,0|1,0,1]=4 15552 B15R0.70 CC=CCSCCCCCCCCCCO 62a_100009813290_100000070051 [0,2,0,0,0,0|1,0,1]=4 15553 B15R0.70 CCC#CCCCCCCCCOCC=O 34a_200000031908_200009817547 [0,2,0,0,0,0|0,0,1]=3 15554 B15R0.70 CCC#CCCCCCCCCOCC=O 7a_200000031908_200015260668 [0,2,0,0,0,0|0,0,1]=3 15555 B15R0.70 CCC#CCCCCCCSCCCC=O 62a_200000036426_200011292268 [0,2,0,0,0,0|0,0,1]=3 15556 B15R0.70 CCC#CCCCCCCSCCCC=O 62a_200011292268_200000036426 [0,2,0,0,0,0|0,0,1]=3 15557 B15R0.70 CCCC/C=C/CCCCOCCCC=O 7a_200020645093_200011292268 [0,2,0,0,0,0|0,0,1]=3 15558 B15R0.70 CCCC/C=C\CCCCCCCCOC 34a_100020587526_200000210301 [0,2,0,0,0,0|2,0,0]=4 15559 B15R0.70 CCCC/C=C\CCCCCCCCOC 7a_100020587526_200000210301 [0,2,0,0,0,0|2,0,0]=4 15560 B15R0.70 CCCC/C=C\CCCCCCCCO[13CH3] 34a_100020587526_200025704644 [0,2,0,0,0,0|2,0,0]=4 15561 B15R0.70 CCCC/C=C\CCCCCCCCO[13CH3] 7a_100020587526_200025704644 [0,2,0,0,0,0|2,0,0]=4 15562 B15R0.70 CCCC/C=C\CCOCCCCCC=O 7a_200016286491_100000139337 [0,2,0,0,0,0|0,0,1]=3 15563 B15R0.70 CCCCC#CCCCCCCSCC=O 62a_200000043322_200015260668 [0,2,0,0,0,0|0,0,1]=3 15564 B15R0.70 CCCCC#CCCCCCCSCC=O 62a_200015260668_200000043322 [0,2,0,0,0,0|0,0,1]=3 15565 B15R0.70 CCCCC#CCCCCOCCCC=O 7a_200000066234_200011292268 [0,2,0,0,0,0|0,0,1]=3 15566 B15R0.70 CCCCC#CCCCSCCCCC=O 62a_100000139335_200000047210 [0,2,0,0,0,0|0,0,1]=3 15567 B15R0.70 CCCCC#CCCCSCCCCC=O 62a_200000047210_100000139335 [0,2,0,0,0,0|0,0,1]=3 15568 B15R0.70 CCCCC#CCCOCCCCCC=O 7a_100000037610_100000139337 [0,2,0,0,0,0|0,0,1]=3 15569 B15R0.70 CCCCC/C=C/COCCCCCC=O 7a_100016258190_100000139337 [0,2,0,0,0,0|0,0,1]=3 15570 B15R0.70 CCCCC/C=C\CCCOCCCC=O 7a_100020655193_200011292268 [0,2,0,0,0,0|0,0,1]=3 15571 B15R0.70 CCCCC/C=C\CCOCCCCC=O 7a_100016277358_100000139335 [0,2,0,0,0,0|0,0,1]=3 15572 B15R0.70 CCCCCC#CCCOCCCCC=O 7a_200000042877_100000139335 [0,2,0,0,0,0|0,0,1]=3 15573 B15R0.70 CCCCCC#CCOCCCCCC=O 7a_200000033628_100000139337 [0,2,0,0,0,0|0,0,1]=3 15574 B15R0.70 CCCCCC#CCSCCCCCC=O 62a_100000139337_100009816472 [0,2,0,0,0,0|0,0,1]=3 15575 B15R0.70 CCCCCC#CCSCCCCCC=O 62a_100009816472_100000139337 [0,2,0,0,0,0|0,0,1]=3 15576 B15R0.70 CCCCCC/C=C/COCCCCC=O 7a_200016276170_100000139335 [0,2,0,0,0,0|0,0,1]=3 15577 B15R0.70 CCCCCCC#CCCOCCCC=O 7a_200000033163_200011292268 [0,2,0,0,0,0|0,0,1]=3 15578 B15R0.70 CCCCCCC#CCOCCCCC=O 7a_200000037284_100000139335 [0,2,0,0,0,0|0,0,1]=3 15579 B15R0.70 CCCCCCCC#CCOCCCC=O 7a_200000061759_200011292268 [0,2,0,0,0,0|0,0,1]=3 15580 B15R0.70 CCCCCCCCC/C=C/COCC=O 34a_100015232335_200009817547 [0,2,0,0,0,0|0,0,1]=3 15581 B15R0.70 CCCCCCCCC/C=C/COCC=O 7a_100015232335_200015260668 [0,2,0,0,0,0|0,0,1]=3 15582 B15R0.70 CCCCCCCCCCCCCCNC 2230a_100011217771_200000210301 [0,2,0,0,0,0|1,0,1]=4 15583 B15R0.70 CCCCCCCCCCCCCCNC 2230a_106832991635_100011215471 [0,2,0,0,0,0|1,0,1]=4 15584 B15R0.70 CCCCCCCCCCCCCCNC 270004a_106832991635_200011216147 [0,2,0,0,0,0|1,0,1]=4 15585 B15R0.70 CCCCCCCCCCCCCCNC 34a_100011217771_200000210301 [0,2,0,0,0,0|1,0,1]=4 15586 B15R0.70 CCCCCCCCCCCCCCNC 34a_100102657272_100011215471 [0,2,0,0,0,0|1,0,1]=4 15587 B15R0.70 CCCCCCCCCCCCCCNC 7a_106832991635_100011215471 [0,2,0,0,0,0|1,0,1]=4 15588 B15R0.70 CCCCCCCCCCCCCCN[13CH3] 2230a_100011217771_200025704644 [0,2,0,0,0,0|1,0,1]=4 15589 B15R0.70 CCCCCCCCCCCCCCN[13CH3] 34a_100011217771_200025704644 [0,2,0,0,0,0|1,0,1]=4 15590 B15R0.70 CCCCCCCCCCCCCCOC 34a_100000210739_200000210301 [0,2,0,0,0,0|0,0,2]=4 15591 B15R0.70 CCCCCCCCCCCCCCOC 34a_100138415774_100011215471 [0,2,0,0,0,0|0,0,2]=4 15592 B15R0.70 CCCCCCCCCCCCCCOC 7a_100000210739_200000210301 [0,2,0,0,0,0|0,0,2]=4 15593 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 34a_100000210739_200025704644 [0,2,0,0,0,0|0,0,2]=4 15594 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 7a_100000210739_200025704644 [0,2,0,0,0,0|0,0,2]=4 15595 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100011215765_100000210202 [0,2,0,0,0,0|1,0,1]=4 15596 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100015525214_100000210684 [0,2,0,0,0,0|1,0,1]=4 15597 B15R0.70 CCCCCCCCCCCCCNCC 270004a_100015525214_200011215488 [0,2,0,0,0,0|1,0,1]=4 15598 B15R0.70 CCCCCCCCCCCCCNCC 34a_100011215765_100000210202 [0,2,0,0,0,0|1,0,1]=4 15599 B15R0.70 CCCCCCCCCCCCCNCF 34a_100011215765_100015361967 [0,2,0,0,0,0|1,0,1]=4 15600 B15R0.70 CCCCCCCCCCCCCOCC 34a_100000185773_100000210202 [0,2,0,0,0,0|0,0,2]=4 15601 B15R0.70 CCCCCCCCCCCCCOCC 34a_100121572206_100000210684 [0,2,0,0,0,0|0,0,2]=4 15602 B15R0.70 CCCCCCCCCCCCCOCC 7a_100000185773_100000210202 [0,2,0,0,0,0|0,0,2]=4 15603 B15R0.70 CCCCCCCCCCCCCOCF 34a_100000185773_100015361967 [0,2,0,0,0,0|0,0,2]=4 15604 B15R0.70 CCCCCCCCCCCCCOCF 7a_100000185773_100015361967 [0,2,0,0,0,0|0,0,2]=4 15605 B15R0.70 CCCCCCCCCCCCCSCF 62a_100015361967_100011934334 [0,2,0,0,0,0|0,1,1]=4 15606 B15R0.70 CCCCCCCCCCCCNCC#N 2230a_100000210451_100011215382 [0,2,0,0,0,0|1,0,1]=4 15607 B15R0.70 CCCCCCCCCCCCNCC=O 2230a_100000210451_200015260668 [0,2,0,0,0,0|0,0,0]=2 15608 B15R0.70 CCCCCCCCCCCCNCC=O 34a_100000210451_200009817547 [0,2,0,0,0,0|0,0,0]=2 15609 B15R0.70 CCCCCCCCCCCCNCCC 2230a_100000210451_100000210303 [0,2,0,0,0,0|1,0,1]=4 15610 B15R0.70 CCCCCCCCCCCCNCCC 270004a_100020643023_100011218549 [0,2,0,0,0,0|1,0,1]=4 15611 B15R0.70 CCCCCCCCCCCCNCCC 34a_100000210451_100000210303 [0,2,0,0,0,0|1,0,1]=4 15612 B15R0.70 CCCCCCCCCCCCNCCF 2230a_100000210451_100011217306 [0,2,0,0,0,0|1,0,1]=4 15613 B15R0.70 CCCCCCCCCCCCNCCF 34a_100000210451_100011217306 [0,2,0,0,0,0|1,0,1]=4 15614 B15R0.70 CCCCCCCCCCCCNCCF 34a_100000724931_100000759014 [0,2,0,0,0,0|1,0,1]=4 15615 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100000210451_100000211926 [0,2,0,0,0,0|0,0,2]=4 15616 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100016997473_100011215052 [0,2,0,0,0,0|0,0,2]=4 15617 B15R0.70 CCCCCCCCCCCCNCCO 270004a_100000210304_100011218549 [0,2,0,0,0,0|0,0,2]=4 15618 B15R0.70 CCCCCCCCCCCCNCCO 34a_100000210451_100000211926 [0,2,0,0,0,0|0,0,2]=4 15619 B15R0.70 CCCCCCCCCCCCNCCO 34a_100016990907_100000759014 [0,2,0,0,0,0|0,0,2]=4 15620 B15R0.70 CCCCCCCCCCCCNCOC 2230a_100000210451_100000766300 [0,2,0,0,0,0|0,0,2]=4 15621 B15R0.70 CCCCCCCCCCCCNCSC 2230a_100000210451_100011218213 [0,2,0,0,0,0|0,1,1]=4 15622 B15R0.70 CCCCCCCCCCCCNCSC 34a_100000210451_100011218213 [0,2,0,0,0,0|0,1,1]=4 15623 B15R0.70 CCCCCCCCCCCCOCC#N 7a_100000210810_100011215382 [0,2,0,0,0,0|1,0,1]=4 15624 B15R0.70 CCCCCCCCCCCCOCC=O 34a_100000210810_200009817547 [0,2,0,0,0,0|0,0,0]=2 15625 B15R0.70 CCCCCCCCCCCCOCC=O 7a_100000210810_200015260668 [0,2,0,0,0,0|0,0,0]=2 15626 B15R0.70 CCCCCCCCCCCCOCCBr 34a_100000211926_100000759014 [0,2,0,0,0,0|1,0,1]=4 15627 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210258_100000759014 [0,2,0,0,0,0|1,0,1]=4 15628 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210810_100000210303 [0,2,0,0,0,0|1,0,1]=4 15629 B15R0.70 CCCCCCCCCCCCOCCC 7a_100000210810_100000210303 [0,2,0,0,0,0|1,0,1]=4 15630 B15R0.70 CCCCCCCCCCCCOCCF 34a_100000210810_100011217306 [0,2,0,0,0,0|1,0,1]=4 15631 B15R0.70 CCCCCCCCCCCCOCCF 7a_100000210810_100011217306 [0,2,0,0,0,0|1,0,1]=4 15632 B15R0.70 CCCCCCCCCCCCOCCN 34a_100000210304_100000759014 [0,2,0,0,0,0|1,0,1]=4 15633 B15R0.70 CCCCCCCCCCCCOCCO 34a_100000210810_100000211926 [0,2,0,0,0,0|0,0,2]=4 15634 B15R0.70 CCCCCCCCCCCCOCCO 7a_100000210810_100000211926 [0,2,0,0,0,0|0,0,2]=4 15635 B15R0.70 CCCCCCCCCCCCOCSC 34a_100000210810_100011218213 [0,2,0,0,0,0|0,1,1]=4 15636 B15R0.70 CCCCCCCCCCCCSCC#N 62a_100011215382_100000759014 [0,2,0,0,0,0|1,0,1]=4 15637 B15R0.70 CCCCCCCCCCCCSCC=O 62a_200015260668_100000759014 [0,2,0,0,0,0|0,0,0]=2 15638 B15R0.70 CCCCCCCCCCCCSCCF 62a_100011217306_100000759014 [0,2,0,0,0,0|1,0,1]=4 15639 B15R0.70 CCCCCCCCCCCCSCCO 62a_100000211926_100000759014 [0,2,0,0,0,0|0,0,2]=4 15640 B15R0.70 CCCCCCCCCCCCSCOC 62a_100000766300_100000759014 [0,2,0,0,0,0|0,0,2]=4 15641 B15R0.70 CCCCCCCCCCCCSCSC 62a_100011218213_100000759014 [0,2,0,0,0,0|0,1,1]=4 15642 B15R0.70 CCCCCCCCCCCNCCC#N 2230a_200011215754_100011215226 [0,2,0,0,0,0|1,0,1]=4 15643 B15R0.70 CCCCCCCCCCCNCCCC 2230a_100000102301_100011215454 [0,2,0,0,0,0|1,0,1]=4 15644 B15R0.70 CCCCCCCCCCCNCCCC 2230a_200011215754_100000210211 [0,2,0,0,0,0|1,0,1]=4 15645 B15R0.70 CCCCCCCCCCCNCCCC 34a_200011215754_100000210210 [0,2,0,0,0,0|1,0,1]=4 15646 B15R0.70 CCCCCCCCCCCNCCCC 7a_106832991798_100011215454 [0,2,0,0,0,0|1,0,1]=4 15647 B15R0.70 CCCCCCCCCCCNCCCF 2230a_100015189416_100011215454 [0,2,0,0,0,0|1,0,1]=4 15648 B15R0.70 CCCCCCCCCCCNCCCF 2230a_200011215754_100011934791 [0,2,0,0,0,0|1,0,1]=4 15649 B15R0.70 CCCCCCCCCCCNCCCF 34a_100015189416_100011215454 [0,2,0,0,0,0|1,0,1]=4 15650 B15R0.70 CCCCCCCCCCCNCCCF 34a_200011215754_100011934791 [0,2,0,0,0,0|1,0,1]=4 15651 B15R0.70 CCCCCCCCCCCNCCCO 2230a_200011215754_100000230001 [0,2,0,0,0,0|0,0,2]=4 15652 B15R0.70 CCCCCCCCCCCNCCCO 34a_200011215754_100000230001 [0,2,0,0,0,0|0,0,2]=4 15653 B15R0.70 CCCCCCCCCCCNCCOC 2230a_100000209980_100011215454 [0,2,0,0,0,0|0,0,2]=4 15654 B15R0.70 CCCCCCCCCCCNCCOC 2230a_200011215754_100011201679 [0,2,0,0,0,0|0,0,2]=4 15655 B15R0.70 CCCCCCCCCCCNCCOC 34a_200011215754_100011201679 [0,2,0,0,0,0|0,0,2]=4 15656 B15R0.70 CCCCCCCCCCCNCCSC 2230a_100020590264_100011215454 [0,2,0,0,0,0|0,1,1]=4 15657 B15R0.70 CCCCCCCCCCCNCCSC 2230a_200011215754_100000751147 [0,2,0,0,0,0|0,1,1]=4 15658 B15R0.70 CCCCCCCCCCCNCCSC 34a_200011215754_100000212216 [0,2,0,0,0,0|0,1,1]=4 15659 B15R0.70 CCCCCCCCCCCOCCC#N 7a_100000210809_100000184422 [0,2,0,0,0,0|1,0,1]=4 15660 B15R0.70 CCCCCCCCCCCOCCCBr 34a_100011217188_100011215454 [0,2,0,0,0,0|1,0,1]=4 15661 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210227_100011215454 [0,2,0,0,0,0|1,0,1]=4 15662 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210809_100000210210 [0,2,0,0,0,0|1,0,1]=4 15663 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210227_100011215454 [0,2,0,0,0,0|1,0,1]=4 15664 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210809_100000210211 [0,2,0,0,0,0|1,0,1]=4 15665 B15R0.70 CCCCCCCCCCCOCCCCl 34a_100000230001_100011215454 [0,2,0,0,0,0|1,0,1]=4 15666 B15R0.70 CCCCCCCCCCCOCCCF 34a_100000210809_100011934791 [0,2,0,0,0,0|1,0,1]=4 15667 B15R0.70 CCCCCCCCCCCOCCCF 34a_100000759539_100011215454 [0,2,0,0,0,0|1,0,1]=4 15668 B15R0.70 CCCCCCCCCCCOCCCF 7a_100000210809_100011934791 [0,2,0,0,0,0|1,0,1]=4 15669 B15R0.70 CCCCCCCCCCCOCCCN 34a_100000182051_100011215454 [0,2,0,0,0,0|1,0,1]=4 15670 B15R0.70 CCCCCCCCCCCOCCCO 34a_100000210809_100000230001 [0,2,0,0,0,0|0,0,2]=4 15671 B15R0.70 CCCCCCCCCCCOCCCO 7a_100000210809_100011215043 [0,2,0,0,0,0|0,0,2]=4 15672 B15R0.70 CCCCCCCCCCCOCCOC 34a_100000210237_100011215454 [0,2,0,0,0,0|0,0,2]=4 15673 B15R0.70 CCCCCCCCCCCOCCOC 34a_100000210809_100011201679 [0,2,0,0,0,0|0,0,2]=4 15674 B15R0.70 CCCCCCCCCCCOCCOC 34a_100010166600_200000210301 [0,2,0,0,0,0|0,0,2]=4 15675 B15R0.70 CCCCCCCCCCCOCCOC 7a_100000210809_100000233755 [0,2,0,0,0,0|0,0,2]=4 15676 B15R0.70 CCCCCCCCCCCOCCOC 7a_100010166600_200000210301 [0,2,0,0,0,0|0,0,2]=4 15677 B15R0.70 CCCCCCCCCCCOCCON 34a_100000700252_100011215454 [0,2,0,0,0,0|0,0,2]=4 15678 B15R0.70 CCCCCCCCCCCOCCO[13CH3] 34a_100010166600_200025704644 [0,2,0,0,0,0|0,0,2]=4 15679 B15R0.70 CCCCCCCCCCCOCCO[13CH3] 7a_100010166600_200025704644 [0,2,0,0,0,0|0,0,2]=4 15680 B15R0.70 CCCCCCCCCCCOCCSC 34a_100000210809_100000212216 [0,2,0,0,0,0|0,1,1]=4 15681 B15R0.70 CCCCCCCCCCCOCCSC 34a_100000230434_100011215454 [0,2,0,0,0,0|0,1,1]=4 15682 B15R0.70 CCCCCCCCCCCOCCSC 7a_100000210809_100000212216 [0,2,0,0,0,0|0,1,1]=4 15683 B15R0.70 CCCCCCCCCCCOCCSC 7a_100000230434_100011215454 [0,2,0,0,0,0|0,1,1]=4 15684 B15R0.70 CCCCCCCCCCCSCCC#N 62a_100011215226_100011215454 [0,2,0,0,0,0|1,0,1]=4 15685 B15R0.70 CCCCCCCCCCCSCCCF 62a_100011934791_100011215454 [0,2,0,0,0,0|1,0,1]=4 15686 B15R0.70 CCCCCCCCCCCSCCCO 62a_100011215043_100011215454 [0,2,0,0,0,0|0,0,2]=4 15687 B15R0.70 CCCCCCCCCCCSCCOC 62a_100000233755_100011215454 [0,2,0,0,0,0|0,0,2]=4 15688 B15R0.70 CCCCCCCCCCCSCCSC 62a_100000212216_100011215454 [0,2,0,0,0,0|0,1,1]=4 15689 B15R0.70 CCCCCCCCCCCSCOCC 62a_100000739092_100011215454 [0,2,0,0,0,0|1,0,1]=4 15690 B15R0.70 CCCCCCCCCCCSCSC#N 62a_100000211825_100011215454 [0,2,0,0,0,0|1,0,1]=4 15691 B15R0.70 CCCCCCCCCCNCCCC#N 2230a_100000684558_100000687738 [0,2,0,0,0,0|1,0,1]=4 15692 B15R0.70 CCCCCCCCCCNCCCC=O 2230a_100000684558_200011292268 [0,2,0,0,0,0|0,0,0]=2 15693 B15R0.70 CCCCCCCCCCNCCCCC 2230a_100000209983_100000210320 [0,2,0,0,0,0|1,0,1]=4 15694 B15R0.70 CCCCCCCCCCNCCCCC 2230a_100000684558_100000210326 [0,2,0,0,0,0|1,0,1]=4 15695 B15R0.70 CCCCCCCCCCNCCCCC 34a_100000684558_100000718602 [0,2,0,0,0,0|1,0,1]=4 15696 B15R0.70 CCCCCCCCCCNCCCCF 2230a_100000684558_100000729493 [0,2,0,0,0,0|1,0,1]=4 15697 B15R0.70 CCCCCCCCCCNCCCCF 34a_100000684558_100000729493 [0,2,0,0,0,0|1,0,1]=4 15698 B15R0.70 CCCCCCCCCCNCCCCO 2230a_100000684558_100000210776 [0,2,0,0,0,0|0,0,2]=4 15699 B15R0.70 CCCCCCCCCCNCCCCO 2230a_100000750430_100000210320 [0,2,0,0,0,0|0,0,2]=4 15700 B15R0.70 CCCCCCCCCCNCCCCO 34a_100000684558_100011216708 [0,2,0,0,0,0|0,0,2]=4 15701 B15R0.70 CCCCCCCCCCNCCCCO 34a_100000750430_100000210320 [0,2,0,0,0,0|0,0,2]=4 15702 B15R0.70 CCCCCCCCCCNCCCOC 2230a_100000684558_100000740836 [0,2,0,0,0,0|0,0,2]=4 15703 B15R0.70 CCCCCCCCCCNCCCOC 34a_100000684558_100000740836 [0,2,0,0,0,0|0,0,2]=4 15704 B15R0.70 CCCCCCCCCCNCCCOC 34a_100150723488_100000210320 [0,2,0,0,0,0|0,0,2]=4 15705 B15R0.70 CCCCCCCCCCNCCCSC 2230a_100000749238_100000210320 [0,2,0,0,0,0|0,1,1]=4 15706 B15R0.70 CCCCCCCCCCNCCOCC 2230a_100000684558_100011215890 [0,2,0,0,0,0|1,0,1]=4 15707 B15R0.70 CCCCCCCCCCNCCOCC 2230a_102516460346_100000210320 [0,2,0,0,0,0|1,0,1]=4 15708 B15R0.70 CCCCCCCCCCNCCOCC 34a_100000684558_100000210147 [0,2,0,0,0,0|1,0,1]=4 15709 B15R0.70 CCCCCCCCCCNCCOCC 34a_102516460346_100000210320 [0,2,0,0,0,0|1,0,1]=4 15710 B15R0.70 CCCCCCCCCCNCCSCC 2230a_100000106463_100000210320 [0,2,0,0,0,0|1,0,1]=4 15711 B15R0.70 CCCCCCCCCCNCCSCC 2230a_100000684558_100000757381 [0,2,0,0,0,0|1,0,1]=4 15712 B15R0.70 CCCCCCCCCCNCCSCC 34a_100000684558_100000757381 [0,2,0,0,0,0|1,0,1]=4 15713 B15R0.70 CCCCCCCCCCOCCCC#N 7a_100000210711_100000687738 [0,2,0,0,0,0|1,0,1]=4 15714 B15R0.70 CCCCCCCCCCOCCCC=O 7a_100000210711_200011292268 [0,2,0,0,0,0|0,0,0]=2 15715 B15R0.70 CCCCCCCCCCOCCCCBr 34a_100011216708_100000210320 [0,2,0,0,0,0|1,0,1]=4 15716 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210253_100000210320 [0,2,0,0,0,0|1,0,1]=4 15717 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210711_100000718602 [0,2,0,0,0,0|1,0,1]=4 15718 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210253_100000210320 [0,2,0,0,0,0|1,0,1]=4 15719 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210711_100000210326 [0,2,0,0,0,0|1,0,1]=4 15720 B15R0.70 CCCCCCCCCCOCCCCCl 34a_100000210776_100000210320 [0,2,0,0,0,0|1,0,1]=4 15721 B15R0.70 CCCCCCCCCCOCCCCCl 7a_100000210776_100000210320 [0,2,0,0,0,0|1,0,1]=4 15722 B15R0.70 CCCCCCCCCCOCCCCF 34a_100000210711_100000729493 [0,2,0,0,0,0|1,0,1]=4 15723 B15R0.70 CCCCCCCCCCOCCCCF 34a_100011995726_100000210320 [0,2,0,0,0,0|1,0,1]=4 15724 B15R0.70 CCCCCCCCCCOCCCCF 7a_100000210711_100000729493 [0,2,0,0,0,0|1,0,1]=4 15725 B15R0.70 CCCCCCCCCCOCCCCF 7a_100011995726_100000210320 [0,2,0,0,0,0|1,0,1]=4 15726 B15R0.70 CCCCCCCCCCOCCCCI 34a_200012148704_100000210320 [0,2,0,0,0,0|1,0,1]=4 15727 B15R0.70 CCCCCCCCCCOCCCCN 34a_100000750430_100000210320 [0,2,0,0,0,0|1,0,1]=4 15728 B15R0.70 CCCCCCCCCCOCCCCO 34a_100000210711_100011216708 [0,2,0,0,0,0|0,0,2]=4 15729 B15R0.70 CCCCCCCCCCOCCCCO 7a_100000210711_100000210776 [0,2,0,0,0,0|0,0,2]=4 15730 B15R0.70 CCCCCCCCCCOCCCNC 34a_100000213112_100000210320 [0,2,0,0,0,0|1,0,1]=4 15731 B15R0.70 CCCCCCCCCCOCCCOC 34a_100000210711_100000740836 [0,2,0,0,0,0|0,0,2]=4 15732 B15R0.70 CCCCCCCCCCOCCCOC 34a_100000740835_100000210320 [0,2,0,0,0,0|0,0,2]=4 15733 B15R0.70 CCCCCCCCCCOCCCOC 7a_100000210711_100000740836 [0,2,0,0,0,0|0,0,2]=4 15734 B15R0.70 CCCCCCCCCCOCCCSC 34a_100000690336_100000210320 [0,2,0,0,0,0|0,1,1]=4 15735 B15R0.70 CCCCCCCCCCOCCCSC 7a_100000690336_100000210320 [0,2,0,0,0,0|0,1,1]=4 15736 B15R0.70 CCCCCCCCCCOCCOCC 34a_100000210136_100000210320 [0,2,0,0,0,0|1,0,1]=4 15737 B15R0.70 CCCCCCCCCCOCCOCC 34a_100000210711_100000210147 [0,2,0,0,0,0|1,0,1]=4 15738 B15R0.70 CCCCCCCCCCOCCOCC 7a_100000210136_100000210320 [0,2,0,0,0,0|1,0,1]=4 15739 B15R0.70 CCCCCCCCCCOCCOCC 7a_100000210711_100011215890 [0,2,0,0,0,0|1,0,1]=4 15740 B15R0.70 CCCCCCCCCCOCCSCC 34a_100000210711_100000757381 [0,2,0,0,0,0|1,0,1]=4 15741 B15R0.70 CCCCCCCCCCOCCSCC 34a_100000212035_100000210320 [0,2,0,0,0,0|1,0,1]=4 15742 B15R0.70 CCCCCCCCCCOCCSCC 7a_100000210711_100000757381 [0,2,0,0,0,0|1,0,1]=4 15743 B15R0.70 CCCCCCCCCCOCCSCC 7a_100000212035_100000210320 [0,2,0,0,0,0|1,0,1]=4 15744 B15R0.70 CCCCCCCCCCSCCCC#N 62a_100000687738_100000210320 [0,2,0,0,0,0|1,0,1]=4 15745 B15R0.70 CCCCCCCCCCSCCCC=O 62a_200011292268_100000210320 [0,2,0,0,0,0|0,0,0]=2 15746 B15R0.70 CCCCCCCCCCSCCCCF 62a_100000729493_100000210320 [0,2,0,0,0,0|1,0,1]=4 15747 B15R0.70 CCCCCCCCCCSCCCCO 62a_100000210776_100000210320 [0,2,0,0,0,0|0,0,2]=4 15748 B15R0.70 CCCCCCCCCCSCCCOC 62a_100000709357_100000210320 [0,2,0,0,0,0|0,0,2]=4 15749 B15R0.70 CCCCCCCCCCSCCOCC 34a_100011628728_100000210202 [0,2,0,0,0,0|1,0,1]=4 15750 B15R0.70 CCCCCCCCCCSCCOCC 62a_100000210147_100000210320 [0,2,0,0,0,0|1,0,1]=4 15751 B15R0.70 CCCCCCCCCCSCCOCC 7a_100011628728_100000210202 [0,2,0,0,0,0|1,0,1]=4 15752 B15R0.70 CCCCCCCCCCSCCOCF 34a_100011628728_100015361967 [0,2,0,0,0,0|1,0,1]=4 15753 B15R0.70 CCCCCCCCCCSCCOCF 7a_100011628728_100015361967 [0,2,0,0,0,0|1,0,1]=4 15754 B15R0.70 CCCCCCCCCCSCCSC#N 62a_100000034367_100000210320 [0,2,0,0,0,0|1,0,1]=4 15755 B15R0.70 CCCCCCCCCCSCCSCC 62a_100000757381_100000210320 [0,2,0,0,0,0|1,0,1]=4 15756 B15R0.70 CCCCCCCCCNCCCCC#N 2230a_100000212291_100000211819 [0,2,0,0,0,0|1,0,1]=4 15757 B15R0.70 CCCCCCCCCNCCCCC=O 2230a_100000212291_100000139335 [0,2,0,0,0,0|0,0,0]=2 15758 B15R0.70 CCCCCCCCCNCCCCCC 2230a_100000210581_100011214924 [0,2,0,0,0,0|1,0,1]=4 15759 B15R0.70 CCCCCCCCCNCCCCCC 2230a_100000212291_100000210314 [0,2,0,0,0,0|1,0,1]=4 15760 B15R0.70 CCCCCCCCCNCCCCCC 34a_100000212291_100000210314 [0,2,0,0,0,0|1,0,1]=4 15761 B15R0.70 CCCCCCCCCNCCCCCF 2230a_100000212291_100000729378 [0,2,0,0,0,0|1,0,1]=4 15762 B15R0.70 CCCCCCCCCNCCCCCF 34a_100000212291_100000729378 [0,2,0,0,0,0|1,0,1]=4 15763 B15R0.70 CCCCCCCCCNCCCCCO 2230a_100000212291_100000746330 [0,2,0,0,0,0|0,0,2]=4 15764 B15R0.70 CCCCCCCCCNCCCCCO 2230a_100000762737_100011214924 [0,2,0,0,0,0|0,0,2]=4 15765 B15R0.70 CCCCCCCCCNCCCCCO 34a_100000212291_100000746330 [0,2,0,0,0,0|0,0,2]=4 15766 B15R0.70 CCCCCCCCCNCCCCCO 34a_100000762737_100011214924 [0,2,0,0,0,0|0,0,2]=4 15767 B15R0.70 CCCCCCCCCNCCCCOC 2230a_100000212291_100000730899 [0,2,0,0,0,0|0,0,2]=4 15768 B15R0.70 CCCCCCCCCNCCCCOC 34a_100000212291_100000755781 [0,2,0,0,0,0|0,0,2]=4 15769 B15R0.70 CCCCCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100011214924 [0,2,0,0,0,0|2,0,0]=4 15770 B15R0.70 CCCCCCCCCNCCCOCC 2230a_100000210961_100011214924 [0,2,0,0,0,0|1,0,1]=4 15771 B15R0.70 CCCCCCCCCNCCCOCC 2230a_100000212291_100012232248 [0,2,0,0,0,0|1,0,1]=4 15772 B15R0.70 CCCCCCCCCNCCCOCC 34a_100000210961_100011214924 [0,2,0,0,0,0|1,0,1]=4 15773 B15R0.70 CCCCCCCCCNCCCOCC 34a_100000212291_100012232248 [0,2,0,0,0,0|1,0,1]=4 15774 B15R0.70 CCCCCCCCCNCCOCC#N 2230a_100000212291_200000047693 [0,2,0,0,0,0|1,0,1]=4 15775 B15R0.70 CCCCCCCCCNCCOCCC 2230a_100000212291_100011215938 [0,2,0,0,0,0|1,0,1]=4 15776 B15R0.70 CCCCCCCCCNCCOCCC 2230a_100161115042_100011214924 [0,2,0,0,0,0|1,0,1]=4 15777 B15R0.70 CCCCCCCCCNCCOCCC 34a_100000212291_100011215938 [0,2,0,0,0,0|1,0,1]=4 15778 B15R0.70 CCCCCCCCCNCCOCCC 34a_100161115042_100011214924 [0,2,0,0,0,0|1,0,1]=4 15779 B15R0.70 CCCCCCCCCNCCOCCO 2230a_100000211614_100011214924 [0,2,0,0,0,0|0,0,2]=4 15780 B15R0.70 CCCCCCCCCNCCOCCO 2230a_100000212291_100011215305 [0,2,0,0,0,0|0,0,2]=4 15781 B15R0.70 CCCCCCCCCNCCOCCO 34a_100000211614_100011214924 [0,2,0,0,0,0|0,0,2]=4 15782 B15R0.70 CCCCCCCCCNCCOCCO 34a_100000212291_100000692535 [0,2,0,0,0,0|0,0,2]=4 15783 B15R0.70 CCCCCCCCCNCCSCCC 2230a_100020603323_100011214924 [0,2,0,0,0,0|1,0,1]=4 15784 B15R0.70 CCCCCCCCCNCCSCCO 2230a_100011219999_100011214924 [0,2,0,0,0,0|0,0,2]=4 15785 B15R0.70 CCCCCCCCCNCOCCCC 2230a_100000212291_100011995733 [0,2,0,0,0,0|1,0,1]=4 15786 B15R0.70 CCCCCCCCCNCOCCCC 34a_100000212291_100011995733 [0,2,0,0,0,0|1,0,1]=4 15787 B15R0.70 CCCCCCCCCNCOCCOC 2230a_100000212291_100000231047 [0,2,0,0,0,0|2,0,0]=4 15788 B15R0.70 CCCCCCCCCOCCCCC#N 7a_100000210712_100000211819 [0,2,0,0,0,0|1,0,1]=4 15789 B15R0.70 CCCCCCCCCOCCCCC=O 7a_100000210712_100000139335 [0,2,0,0,0,0|0,0,0]=2 15790 B15R0.70 CCCCCCCCCOCCCCCBr 34a_100000746331_100011214924 [0,2,0,0,0,0|1,0,1]=4 15791 B15R0.70 CCCCCCCCCOCCCCCBr 7a_100000746331_100000210328 [0,2,0,0,0,0|1,0,1]=4 15792 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210259_100011214924 [0,2,0,0,0,0|1,0,1]=4 15793 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210712_100000210314 [0,2,0,0,0,0|1,0,1]=4 15794 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210259_100000210328 [0,2,0,0,0,0|1,0,1]=4 15795 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210712_100000210314 [0,2,0,0,0,0|1,0,1]=4 15796 B15R0.70 CCCCCCCCCOCCCCCCl 34a_100000746330_100011214924 [0,2,0,0,0,0|1,0,1]=4 15797 B15R0.70 CCCCCCCCCOCCCCCCl 7a_100000746330_100000210328 [0,2,0,0,0,0|1,0,1]=4 15798 B15R0.70 CCCCCCCCCOCCCCCF 34a_100000210712_100000729378 [0,2,0,0,0,0|1,0,1]=4 15799 B15R0.70 CCCCCCCCCOCCCCCF 7a_100000210712_100000729378 [0,2,0,0,0,0|1,0,1]=4 15800 B15R0.70 CCCCCCCCCOCCCCCI 34a_200012148887_100011214924 [0,2,0,0,0,0|1,0,1]=4 15801 B15R0.70 CCCCCCCCCOCCCCCI 7a_200012148887_100000210328 [0,2,0,0,0,0|1,0,1]=4 15802 B15R0.70 CCCCCCCCCOCCCCCN 34a_100000762737_100011214924 [0,2,0,0,0,0|1,0,1]=4 15803 B15R0.70 CCCCCCCCCOCCCCCO 34a_100000210712_100000746330 [0,2,0,0,0,0|0,0,2]=4 15804 B15R0.70 CCCCCCCCCOCCCCCO 7a_100000210712_100000746330 [0,2,0,0,0,0|0,0,2]=4 15805 B15R0.70 CCCCCCCCCOCCCCOC 34a_100000210712_100000755781 [0,2,0,0,0,0|0,0,2]=4 15806 B15R0.70 CCCCCCCCCOCCCCOC 34a_100000740925_100011214924 [0,2,0,0,0,0|0,0,2]=4 15807 B15R0.70 CCCCCCCCCOCCCCOC 7a_100000210712_100000730899 [0,2,0,0,0,0|0,0,2]=4 15808 B15R0.70 CCCCCCCCCOCCCCSC 34a_100011217163_100011214924 [0,2,0,0,0,0|0,1,1]=4 15809 B15R0.70 CCCCCCCCCOCCCCSC 7a_100011217163_100000210328 [0,2,0,0,0,0|0,1,1]=4 15810 B15R0.70 CCCCCCCCCOCCCOCC 34a_100000210712_100012232248 [0,2,0,0,0,0|1,0,1]=4 15811 B15R0.70 CCCCCCCCCOCCCOCC 34a_100000757476_100011214924 [0,2,0,0,0,0|1,0,1]=4 15812 B15R0.70 CCCCCCCCCOCCCOCC 7a_100000210712_100012232248 [0,2,0,0,0,0|1,0,1]=4 15813 B15R0.70 CCCCCCCCCOCCCOCC 7a_100000757476_100000210328 [0,2,0,0,0,0|1,0,1]=4 15814 B15R0.70 CCCCCCCCCOCCCSCC 34a_100011216438_100011214924 [0,2,0,0,0,0|1,0,1]=4 15815 B15R0.70 CCCCCCCCCOCCCSCC 7a_100011216438_100000210328 [0,2,0,0,0,0|1,0,1]=4 15816 B15R0.70 CCCCCCCCCOCCOCC#N 7a_100000210712_200000047693 [0,2,0,0,0,0|1,0,1]=4 15817 B15R0.70 CCCCCCCCCOCCOCCBr 34a_100000692535_100011214924 [0,2,0,0,0,0|1,0,1]=4 15818 B15R0.70 CCCCCCCCCOCCOCCBr 7a_100000692535_100000210328 [0,2,0,0,0,0|1,0,1]=4 15819 B15R0.70 CCCCCCCCCOCCOCCC 34a_100000210712_100011215938 [0,2,0,0,0,0|1,0,1]=4 15820 B15R0.70 CCCCCCCCCOCCOCCC 34a_100000752267_100011214924 [0,2,0,0,0,0|1,0,1]=4 15821 B15R0.70 CCCCCCCCCOCCOCCC 7a_100000210712_100011215938 [0,2,0,0,0,0|1,0,1]=4 15822 B15R0.70 CCCCCCCCCOCCOCCC 7a_100000752267_100000210328 [0,2,0,0,0,0|1,0,1]=4 15823 B15R0.70 CCCCCCCCCOCCOCCCl 34a_100011215305_100011214924 [0,2,0,0,0,0|1,0,1]=4 15824 B15R0.70 CCCCCCCCCOCCOCCCl 7a_100011215305_100000210328 [0,2,0,0,0,0|1,0,1]=4 15825 B15R0.70 CCCCCCCCCOCCOCCF 34a_200015357709_100011214924 [0,2,0,0,0,0|1,0,1]=4 15826 B15R0.70 CCCCCCCCCOCCOCCF 7a_200015357709_100000210328 [0,2,0,0,0,0|1,0,1]=4 15827 B15R0.70 CCCCCCCCCOCCOCCI 34a_100012149058_100011214924 [0,2,0,0,0,0|1,0,1]=4 15828 B15R0.70 CCCCCCCCCOCCOCCI 7a_100012149058_100000210328 [0,2,0,0,0,0|1,0,1]=4 15829 B15R0.70 CCCCCCCCCOCCOCCN 34a_100000211614_100011214924 [0,2,0,0,0,0|1,0,1]=4 15830 B15R0.70 CCCCCCCCCOCCOCCO 34a_100000210712_100000692535 [0,2,0,0,0,0|0,0,2]=4 15831 B15R0.70 CCCCCCCCCOCCOCCO 7a_100000210712_100011215305 [0,2,0,0,0,0|0,0,2]=4 15832 B15R0.70 CCCCCCCCCOCCSCCC 34a_200000230433_100011214924 [0,2,0,0,0,0|1,0,1]=4 15833 B15R0.70 CCCCCCCCCOCCSCCC 7a_200000230433_100000210328 [0,2,0,0,0,0|1,0,1]=4 15834 B15R0.70 CCCCCCCCCOCOCCCC 34a_100000210712_100011995733 [0,2,0,0,0,0|1,0,1]=4 15835 B15R0.70 CCCCCCCCCSCCCCC#N 62a_100011219923_100000210670 [0,2,0,0,0,0|1,0,1]=4 15836 B15R0.70 CCCCCCCCCSCCCCC=O 62a_100000139335_100000210670 [0,2,0,0,0,0|0,0,0]=2 15837 B15R0.70 CCCCCCCCCSCCCCCF 62a_100000729378_100000210670 [0,2,0,0,0,0|1,0,1]=4 15838 B15R0.70 CCCCCCCCCSCCCCCO 62a_100000746330_100000210670 [0,2,0,0,0,0|0,0,2]=4 15839 B15R0.70 CCCCCCCCCSCCCCOC 62a_100000730899_100000210670 [0,2,0,0,0,0|0,0,2]=4 15840 B15R0.70 CCCCCCCCCSCCCOCC 62a_100012232248_100000210670 [0,2,0,0,0,0|1,0,1]=4 15841 B15R0.70 CCCCCCCCCSCCOCC#N 62a_200000047693_100000210670 [0,2,0,0,0,0|1,0,1]=4 15842 B15R0.70 CCCCCCCCCSCCOCCC 62a_100011215938_100000210670 [0,2,0,0,0,0|1,0,1]=4 15843 B15R0.70 CCCCCCCCCSCCOCCO 62a_100011215305_100000210670 [0,2,0,0,0,0|0,0,2]=4 15844 B15R0.70 CCCCCCCCCSCOCCCC 62a_100011995733_100000210670 [0,2,0,0,0,0|1,0,1]=4 15845 B15R0.70 CCCCCCCCCSCOCCOC 62a_100000231047_100000210670 [0,2,0,0,0,0|2,0,0]=4 15846 B15R0.70 CCCCCCCCNCCCCCC#N 2230a_100000229939_100009813376 [0,2,0,0,0,0|1,0,1]=4 15847 B15R0.70 CCCCCCCCNCCCCCC=O 2230a_100000229939_100000139337 [0,2,0,0,0,0|0,0,0]=2 15848 B15R0.70 CCCCCCCCNCCCCCCC 2230a_100000229938_100000210759 [0,2,0,0,0,0|1,0,1]=4 15849 B15R0.70 CCCCCCCCNCCCCCCC 2230a_100000229939_100000210681 [0,2,0,0,0,0|1,0,1]=4 15850 B15R0.70 CCCCCCCCNCCCCCCC 34a_100000229939_100000210614 [0,2,0,0,0,0|1,0,1]=4 15851 B15R0.70 CCCCCCCCNCCCCCCF 2230a_100000229939_100015922095 [0,2,0,0,0,0|1,0,1]=4 15852 B15R0.70 CCCCCCCCNCCCCCCF 34a_100000229939_100015922095 [0,2,0,0,0,0|1,0,1]=4 15853 B15R0.70 CCCCCCCCNCCCCCCO 2230a_100000229939_100000766143 [0,2,0,0,0,0|0,0,2]=4 15854 B15R0.70 CCCCCCCCNCCCCCCO 2230a_100000686447_100000210759 [0,2,0,0,0,0|0,0,2]=4 15855 B15R0.70 CCCCCCCCNCCCCCCO 34a_100000229939_100000766143 [0,2,0,0,0,0|0,0,2]=4 15856 B15R0.70 CCCCCCCCNCCCCCCO 34a_100000686447_100000210759 [0,2,0,0,0,0|0,0,2]=4 15857 B15R0.70 CCCCCCCCNCCCCCOC 2230a_100000747528_100000210759 [0,2,0,0,0,0|0,0,2]=4 15858 B15R0.70 CCCCCCCCNCCCCCOC 34a_100000747528_100000210759 [0,2,0,0,0,0|0,0,2]=4 15859 B15R0.70 CCCCCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210759 [0,2,0,0,0,0|2,0,0]=4 15860 B15R0.70 CCCCCCCCNCCCOCCC 2230a_100011217757_100000210759 [0,2,0,0,0,0|1,0,1]=4 15861 B15R0.70 CCCCCCCCNCCCOCCC 34a_100011217757_100000210759 [0,2,0,0,0,0|1,0,1]=4 15862 B15R0.70 CCCCCCCCNCCOCCCC 2230a_100000229939_100000743108 [0,2,0,0,0,0|1,0,1]=4 15863 B15R0.70 CCCCCCCCNCCOCCCC 34a_100000229939_100000743108 [0,2,0,0,0,0|1,0,1]=4 15864 B15R0.70 CCCCCCCCNCCOCCOC 2230a_100000229939_100000695917 [0,2,0,0,0,0|2,0,0]=4 15865 B15R0.70 CCCCCCCCNCCOCCOC 2230a_100000745349_100000210759 [0,2,0,0,0,0|2,0,0]=4 15866 B15R0.70 CCCCCCCCNCCOCCOC 34a_100000229939_100000695917 [0,2,0,0,0,0|2,0,0]=4 15867 B15R0.70 CCCCCCCCNCCOCCOC 34a_100000745349_100000210759 [0,2,0,0,0,0|2,0,0]=4 15868 B15R0.70 CCCCCCCCNCCSCCCC 2230a_100025743550_100000210759 [0,2,0,0,0,0|1,0,1]=4 15869 B15R0.70 CCCCCCCCOCCCCCC#N 7a_100000210232_100009813376 [0,2,0,0,0,0|1,0,1]=4 15870 B15R0.70 CCCCCCCCOCCCCCC=O 7a_100000210232_100000139337 [0,2,0,0,0,0|0,0,0]=2 15871 B15R0.70 CCCCCCCCOCCCCCCBr 34a_100011215345_100000210759 [0,2,0,0,0,0|1,0,1]=4 15872 B15R0.70 CCCCCCCCOCCCCCCBr 7a_100011215345_100000210759 [0,2,0,0,0,0|1,0,1]=4 15873 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210232_100000210614 [0,2,0,0,0,0|1,0,1]=4 15874 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210272_100000210759 [0,2,0,0,0,0|1,0,1]=4 15875 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210232_100000210614 [0,2,0,0,0,0|1,0,1]=4 15876 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210272_100000210759 [0,2,0,0,0,0|1,0,1]=4 15877 B15R0.70 CCCCCCCCOCCCCCCCl 34a_100000766143_100000210759 [0,2,0,0,0,0|1,0,1]=4 15878 B15R0.70 CCCCCCCCOCCCCCCCl 7a_100000766143_100000210759 [0,2,0,0,0,0|1,0,1]=4 15879 B15R0.70 CCCCCCCCOCCCCCCF 34a_100000210232_100015922095 [0,2,0,0,0,0|1,0,1]=4 15880 B15R0.70 CCCCCCCCOCCCCCCF 34a_100000732779_100000210759 [0,2,0,0,0,0|1,0,1]=4 15881 B15R0.70 CCCCCCCCOCCCCCCF 7a_100000210232_100015922095 [0,2,0,0,0,0|1,0,1]=4 15882 B15R0.70 CCCCCCCCOCCCCCCF 7a_100000732779_100000210759 [0,2,0,0,0,0|1,0,1]=4 15883 B15R0.70 CCCCCCCCOCCCCCCN 34a_100000686447_100000210759 [0,2,0,0,0,0|1,0,1]=4 15884 B15R0.70 CCCCCCCCOCCCCCCO 34a_100000210232_100000766143 [0,2,0,0,0,0|0,0,2]=4 15885 B15R0.70 CCCCCCCCOCCCCCCO 7a_100000210232_100000766143 [0,2,0,0,0,0|0,0,2]=4 15886 B15R0.70 CCCCCCCCOCCCCCNC 34a_100000722520_100000210759 [0,2,0,0,0,0|1,0,1]=4 15887 B15R0.70 CCCCCCCCOCCOCCCC 34a_100000210232_100000743108 [0,2,0,0,0,0|1,0,1]=4 15888 B15R0.70 CCCCCCCCOCCOCCCC 34a_100000210238_100000210759 [0,2,0,0,0,0|1,0,1]=4 15889 B15R0.70 CCCCCCCCOCCOCCCC 7a_100000210232_100000743108 [0,2,0,0,0,0|1,0,1]=4 15890 B15R0.70 CCCCCCCCOCCOCCCC 7a_100000210238_100000210759 [0,2,0,0,0,0|1,0,1]=4 15891 B15R0.70 CCCCCCCCOCCOCCNC 34a_100000228057_100000210759 [0,2,0,0,0,0|2,0,0]=4 15892 B15R0.70 CCCCCCCCOCCOCCOC 34a_100000210232_100000695917 [0,2,0,0,0,0|2,0,0]=4 15893 B15R0.70 CCCCCCCCOCCOCCOC 34a_100011215163_100000210759 [0,2,0,0,0,0|2,0,0]=4 15894 B15R0.70 CCCCCCCCOCCOCCOC 7a_100000210232_100000695917 [0,2,0,0,0,0|2,0,0]=4 15895 B15R0.70 CCCCCCCCOCCOCCOC 7a_100011215163_100000210759 [0,2,0,0,0,0|2,0,0]=4 15896 B15R0.70 CCCCCCCCOCCSCCCC 34a_200000230436_100000210759 [0,2,0,0,0,0|1,0,1]=4 15897 B15R0.70 CCCCCCCCOCCSCCCC 7a_200000230436_100000210759 [0,2,0,0,0,0|1,0,1]=4 15898 B15R0.70 CCCCCCCCSCCCCCC#N 62a_100000210759_100009813376 [0,2,0,0,0,0|1,0,1]=4 15899 B15R0.70 CCCCCCCCSCCCCCC#N 62a_100009813376_100000210317 [0,2,0,0,0,0|1,0,1]=4 15900 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000139337_100000210317 [0,2,0,0,0,0|0,0,0]=2 15901 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000210759_100000139337 [0,2,0,0,0,0|0,0,0]=2 15902 B15R0.70 CCCCCCCCSCCCCCCF 62a_100000210759_100015922095 [0,2,0,0,0,0|1,0,1]=4 15903 B15R0.70 CCCCCCCCSCCCCCCF 62a_100015922095_100000210317 [0,2,0,0,0,0|1,0,1]=4 15904 B15R0.70 CCCCCCCCSCCCCCCO 62a_100000210759_100000766143 [0,2,0,0,0,0|0,0,2]=4 15905 B15R0.70 CCCCCCCCSCCCCCCO 62a_100000766143_100000210317 [0,2,0,0,0,0|0,0,2]=4 15906 B15R0.70 CCCCCCCCSCCOCCCC 62a_100000210759_100000743108 [0,2,0,0,0,0|1,0,1]=4 15907 B15R0.70 CCCCCCCCSCCOCCCC 62a_100000743108_100000210317 [0,2,0,0,0,0|1,0,1]=4 15908 B15R0.70 CCCCCCCCSCCOCCOC 62a_100000210759_100000695917 [0,2,0,0,0,0|2,0,0]=4 15909 B15R0.70 CCCCCCCCSCCOCCOC 62a_100000695917_100000210317 [0,2,0,0,0,0|2,0,0]=4 15910 B15R0.70 CCCCCCCNCCCCCCC#N 2230a_100000229938_100009813337 [0,2,0,0,0,0|1,0,1]=4 15911 B15R0.70 CCCCCCCNCCCCCCCO 2230a_100000229938_100000760002 [0,2,0,0,0,0|0,0,2]=4 15912 B15R0.70 CCCCCCCNCCCCCCCO 2230a_100011996573_100000210681 [0,2,0,0,0,0|0,0,2]=4 15913 B15R0.70 CCCCCCCNCCCCCCCO 34a_100011996573_100000210614 [0,2,0,0,0,0|0,0,2]=4 15914 B15R0.70 CCCCCCCNCCCCCCOC 2230a_100000229938_100011998445 [0,2,0,0,0,0|0,0,2]=4 15915 B15R0.70 CCCCCCCNCCCOCCCC 2230a_200000211371_100000210681 [0,2,0,0,0,0|1,0,1]=4 15916 B15R0.70 CCCCCCCNCCCOCCCC 34a_200000211371_100000210614 [0,2,0,0,0,0|1,0,1]=4 15917 B15R0.70 CCCCCCCNCCCOCCCO 2230a_100011310245_100000210681 [0,2,0,0,0,0|0,0,2]=4 15918 B15R0.70 CCCCCCCNCCCOCCCO 34a_100011310245_100000210614 [0,2,0,0,0,0|0,0,2]=4 15919 B15R0.70 CCCCCCCNCCCOCCOC 2230a_100000206027_100000210681 [0,2,0,0,0,0|2,0,0]=4 15920 B15R0.70 CCCCCCCNCCCOCCOC 2230a_100000229938_100011216529 [0,2,0,0,0,0|2,0,0]=4 15921 B15R0.70 CCCCCCCNCCCOCCOC 34a_100000206027_100000210614 [0,2,0,0,0,0|2,0,0]=4 15922 B15R0.70 CCCCCCCOCCCCCCC#N 7a_100000210272_100009813337 [0,2,0,0,0,0|1,0,1]=4 15923 B15R0.70 CCCCCCCOCCCCCCCBr 34a_100000760002_100000210614 [0,2,0,0,0,0|1,0,1]=4 15924 B15R0.70 CCCCCCCOCCCCCCCBr 7a_100000760002_100000210614 [0,2,0,0,0,0|1,0,1]=4 15925 B15R0.70 CCCCCCCOCCCCCCCN 34a_100011996573_100000210614 [0,2,0,0,0,0|1,0,1]=4 15926 B15R0.70 CCCCCCCOCCCCCCCO 34a_100000210272_100000760002 [0,2,0,0,0,0|0,0,2]=4 15927 B15R0.70 CCCCCCCOCCCCCCCO 7a_100000210272_100000760002 [0,2,0,0,0,0|0,0,2]=4 15928 B15R0.70 CCCCCCCOCCCCCCOC 34a_100000210272_100011998445 [0,2,0,0,0,0|0,0,2]=4 15929 B15R0.70 CCCCCCCOCCCCCCOC 34a_200012092642_100000210614 [0,2,0,0,0,0|0,0,2]=4 15930 B15R0.70 CCCCCCCOCCCCCCOC 7a_100000210272_100011998445 [0,2,0,0,0,0|0,0,2]=4 15931 B15R0.70 CCCCCCCOCCCCCCOC 7a_200012092642_100000210614 [0,2,0,0,0,0|0,0,2]=4 15932 B15R0.70 CCCCCCCOCCCOCCCC 34a_200011215613_100000210614 [0,2,0,0,0,0|1,0,1]=4 15933 B15R0.70 CCCCCCCOCCCOCCCC 7a_200011215613_100000210614 [0,2,0,0,0,0|1,0,1]=4 15934 B15R0.70 CCCCCCCOCCCOCCCN 34a_100011310245_100000210614 [0,2,0,0,0,0|1,0,1]=4 15935 B15R0.70 CCCCCCCOCCCOCCOC 34a_100000210272_100011216529 [0,2,0,0,0,0|2,0,0]=4 15936 B15R0.70 CCCCCCCOCCCOCCOC 7a_100000210272_100011216529 [0,2,0,0,0,0|2,0,0]=4 15937 B15R0.70 CCCCCCCOCCNCCCCC 34a_100000224656_100000210614 [0,2,0,0,0,0|1,0,1]=4 15938 B15R0.70 CCCCCCCOCCOCCCCC 34a_100011215259_100000210614 [0,2,0,0,0,0|1,0,1]=4 15939 B15R0.70 CCCCCCCOCCOCCCCC 7a_100011215259_100000210614 [0,2,0,0,0,0|1,0,1]=4 15940 B15R0.70 CCCCCCCSCCCCCCC#N 62a_100000210614_100009813337 [0,2,0,0,0,0|1,0,1]=4 15941 B15R0.70 CCCCCCCSCCCCCCC#N 62a_100009813337_100000210316 [0,2,0,0,0,0|1,0,1]=4 15942 B15R0.70 CCCCCCCSCCCCCCCO 62a_100000210614_100000760002 [0,2,0,0,0,0|0,0,2]=4 15943 B15R0.70 CCCCCCCSCCCCCCCO 62a_100000760002_100000210316 [0,2,0,0,0,0|0,0,2]=4 15944 B15R0.70 CCCCCCCSCCCCCCOC 62a_100000210614_100011998445 [0,2,0,0,0,0|0,0,2]=4 15945 B15R0.70 CCCCCCCSCCCCCCOC 62a_100011998445_100000210316 [0,2,0,0,0,0|0,0,2]=4 15946 B15R0.70 CCCCCCCSCCCOCCOC 62a_100000210614_100011216529 [0,2,0,0,0,0|2,0,0]=4 15947 B15R0.70 CCCCCCCSCCCOCCOC 62a_100011216529_100000210316 [0,2,0,0,0,0|2,0,0]=4 15948 B15R0.70 CCCCCCNCCCCCCCCO 2230a_100000210581_100000033203 [0,2,0,0,0,0|0,0,2]=4 15949 B15R0.70 CCCCCCNCCCCCCCCO 2230a_102515433106_100000210314 [0,2,0,0,0,0|0,0,2]=4 15950 B15R0.70 CCCCCCNCCCCCCCCO 34a_102515433106_100000210314 [0,2,0,0,0,0|0,0,2]=4 15951 B15R0.70 CCCCCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210314 [0,2,0,0,0,0|2,0,0]=4 15952 B15R0.70 CCCCCCOCCCCCCCCBr 34a_100009813846_100000210314 [0,2,0,0,0,0|1,0,1]=4 15953 B15R0.70 CCCCCCOCCCCCCCCBr 7a_100009813846_100000210314 [0,2,0,0,0,0|1,0,1]=4 15954 B15R0.70 CCCCCCOCCCCCCCCCl 34a_100000033203_100000210314 [0,2,0,0,0,0|1,0,1]=4 15955 B15R0.70 CCCCCCOCCCCCCCCCl 7a_100000033203_100000210314 [0,2,0,0,0,0|1,0,1]=4 15956 B15R0.70 CCCCCCOCCCCCCCCN 34a_102515433106_100000210314 [0,2,0,0,0,0|1,0,1]=4 15957 B15R0.70 CCCCCCOCCCCCCCCO 34a_100000210259_100000033203 [0,2,0,0,0,0|0,0,2]=4 15958 B15R0.70 CCCCCCOCCCCCCCCO 7a_100000210259_100000033203 [0,2,0,0,0,0|0,0,2]=4 15959 B15R0.70 CCCCCCOCCCCCNCCN 34a_103619048469_100000210314 [0,2,0,0,0,0|1,0,1]=4 15960 B15R0.70 CCCCCCOCCCCNCCCC 34a_200011216965_100000210314 [0,2,0,0,0,0|1,0,1]=4 15961 B15R0.70 CCCCCCOCCCCOCCCC 34a_200000760531_100000210314 [0,2,0,0,0,0|1,0,1]=4 15962 B15R0.70 CCCCCCOCCCCOCCCC 7a_200000760531_100000210314 [0,2,0,0,0,0|1,0,1]=4 15963 B15R0.70 CCCCCCOCCCOCCCOC 34a_200011215475_100000210314 [0,2,0,0,0,0|2,0,0]=4 15964 B15R0.70 CCCCCCOCCCOCCCOC 7a_200011215475_100000210314 [0,2,0,0,0,0|2,0,0]=4 15965 B15R0.70 CCCCCCOCCOCCCCC#N 7a_100000691444_100000211819 [0,2,0,0,0,0|1,0,1]=4 15966 B15R0.70 CCCCCCOCCOCCCCC=O 7a_100000691444_100000139335 [0,2,0,0,0,0|0,0,0]=2 15967 B15R0.70 CCCCCCOCCOCCCCCC 34a_100000691444_100000210314 [0,2,0,0,0,0|1,0,1]=4 15968 B15R0.70 CCCCCCOCCOCCCCCC 7a_100000691444_100000210314 [0,2,0,0,0,0|1,0,1]=4 15969 B15R0.70 CCCCCCOCCOCCCCCF 34a_100000691444_100000729378 [0,2,0,0,0,0|1,0,1]=4 15970 B15R0.70 CCCCCCOCCOCCCCCF 7a_100000691444_100000729378 [0,2,0,0,0,0|1,0,1]=4 15971 B15R0.70 CCCCCCOCCOCCCCCO 34a_100000691444_100000746330 [0,2,0,0,0,0|0,0,2]=4 15972 B15R0.70 CCCCCCOCCOCCCCCO 7a_100000691444_100000746330 [0,2,0,0,0,0|0,0,2]=4 15973 B15R0.70 CCCCCCOCCOCCCCOC 34a_100000691444_100000755781 [0,2,0,0,0,0|2,0,0]=4 15974 B15R0.70 CCCCCCOCCOCCCCOC 7a_100000691444_100000730899 [0,2,0,0,0,0|2,0,0]=4 15975 B15R0.70 CCCCCCOCCOCCOCC=O 34a_100000032842_200009817547 [0,2,0,0,0,0|1,0,0]=3 15976 B15R0.70 CCCCCCOCCOCCOCC=O 7a_100000032842_200015260668 [0,2,0,0,0,0|1,0,0]=3 15977 B15R0.70 CCCCCCSCCCCCCCCO 62a_100000033203_100000210757 [0,2,0,0,0,0|0,0,2]=4 15978 B15R0.70 CCCCCCSCCCCCCCCO 62a_100000210314_100000033203 [0,2,0,0,0,0|0,0,2]=4 15979 B15R0.70 CCCCCNCCCCCCCCCO 2230a_100000078944_100000210326 [0,2,0,0,0,0|0,0,2]=4 15980 B15R0.70 CCCCCNCCCCCCCCCO 2230a_100000209983_100009813782 [0,2,0,0,0,0|0,0,2]=4 15981 B15R0.70 CCCCCNCCCCCCCCCO 34a_100000078944_100000718602 [0,2,0,0,0,0|0,0,2]=4 15982 B15R0.70 CCCCCNCCOCCCCCCF 34a_100000224656_100015922095 [0,2,0,0,0,0|1,0,1]=4 15983 B15R0.70 CCCCCNCCOCCCCCCO 34a_100000224656_100000766143 [0,2,0,0,0,0|0,0,2]=4 15984 B15R0.70 CCCCCOCCCCCCCCCBr 34a_100009813782_100000718602 [0,2,0,0,0,0|1,0,1]=4 15985 B15R0.70 CCCCCOCCCCCCCCCBr 7a_100009813782_100000210326 [0,2,0,0,0,0|1,0,1]=4 15986 B15R0.70 CCCCCOCCCCCCCCCCl 34a_100009868337_100000718602 [0,2,0,0,0,0|1,0,1]=4 15987 B15R0.70 CCCCCOCCCCCCCCCCl 7a_100009868337_100000210326 [0,2,0,0,0,0|1,0,1]=4 15988 B15R0.70 CCCCCOCCCCCCCCCN 34a_100000078944_100000718602 [0,2,0,0,0,0|1,0,1]=4 15989 B15R0.70 CCCCCOCCCCCCCCCO 34a_100000210253_100009813782 [0,2,0,0,0,0|0,0,2]=4 15990 B15R0.70 CCCCCOCCCCCCCCCO 7a_100000210253_100009813782 [0,2,0,0,0,0|0,0,2]=4 15991 B15R0.70 CCCCCOCCOCCCCCC#N 7a_100011215259_100009813376 [0,2,0,0,0,0|1,0,1]=4 15992 B15R0.70 CCCCCOCCOCCCCCC=O 7a_100011215259_100000139337 [0,2,0,0,0,0|0,0,0]=2 15993 B15R0.70 CCCCCOCCOCCCCCCF 34a_100011215259_100015922095 [0,2,0,0,0,0|1,0,1]=4 15994 B15R0.70 CCCCCOCCOCCCCCCF 7a_100011215259_100015922095 [0,2,0,0,0,0|1,0,1]=4 15995 B15R0.70 CCCCCOCCOCCCCCCO 34a_100011215259_100000766143 [0,2,0,0,0,0|0,0,2]=4 15996 B15R0.70 CCCCCOCCOCCCCCCO 7a_100011215259_100000766143 [0,2,0,0,0,0|0,0,2]=4 15997 B15R0.70 CCCCCSCCCCCCCCCO 62a_100000210326_100009813782 [0,2,0,0,0,0|0,0,2]=4 15998 B15R0.70 CCCCCSCCCCCCCCCO 62a_100009813782_100000210326 [0,2,0,0,0,0|0,0,2]=4 15999 B15R0.70 CCCCNCCCCCCCCCCO 2230a_100000066964_100000210211 [0,2,0,0,0,0|0,0,2]=4 16000 B15R0.70 CCCCNCCCCCCCCCCO 2230a_100000102301_100009813290 [0,2,0,0,0,0|0,0,2]=4 16001 B15R0.70 CCCCNCCCCCCCCCCO 34a_100000066964_100000210210 [0,2,0,0,0,0|0,0,2]=4 16002 B15R0.70 CCCCNCCCCCCCCCCO 7a_106832991798_100009813290 [0,2,0,0,0,0|0,0,2]=4 16003 B15R0.70 CCCCNCCCCOCCCCCF 34a_200011216965_100000729378 [0,2,0,0,0,0|1,0,1]=4 16004 B15R0.70 CCCCNCCCCOCCCCCO 34a_200011216965_100000746330 [0,2,0,0,0,0|0,0,2]=4 16005 B15R0.70 CCCCNCCCCOCCCCOC 34a_200011216965_100000755781 [0,2,0,0,0,0|2,0,0]=4 16006 B15R0.70 CCCCOCCCCCCCCCCBr 34a_100009813290_100000210210 [0,2,0,0,0,0|1,0,1]=4 16007 B15R0.70 CCCCOCCCCCCCCCCBr 7a_100009813290_100000210211 [0,2,0,0,0,0|1,0,1]=4 16008 B15R0.70 CCCCOCCCCCCCCCCCl 34a_200000033068_100000210210 [0,2,0,0,0,0|1,0,1]=4 16009 B15R0.70 CCCCOCCCCCCCCCCCl 7a_200000033068_100000210211 [0,2,0,0,0,0|1,0,1]=4 16010 B15R0.70 CCCCOCCCCCCCCCCN 34a_100000066964_100000210210 [0,2,0,0,0,0|1,0,1]=4 16011 B15R0.70 CCCCOCCCCCCCCCCO 34a_100000210227_100009813290 [0,2,0,0,0,0|0,0,2]=4 16012 B15R0.70 CCCCOCCCCCCCCCCO 7a_100000210227_100009813290 [0,2,0,0,0,0|0,0,2]=4 16013 B15R0.70 CCCCOCCCCOCCCCC#N 7a_200000760531_100000211819 [0,2,0,0,0,0|1,0,1]=4 16014 B15R0.70 CCCCOCCCCOCCCCC=O 7a_200000760531_100000139335 [0,2,0,0,0,0|0,0,0]=2 16015 B15R0.70 CCCCOCCCCOCCCCCF 34a_200000760531_100000729378 [0,2,0,0,0,0|1,0,1]=4 16016 B15R0.70 CCCCOCCCCOCCCCCF 7a_200000760531_100000729378 [0,2,0,0,0,0|1,0,1]=4 16017 B15R0.70 CCCCOCCCCOCCCCCO 34a_200000760531_100000746330 [0,2,0,0,0,0|0,0,2]=4 16018 B15R0.70 CCCCOCCCCOCCCCCO 7a_200000760531_100000746330 [0,2,0,0,0,0|0,0,2]=4 16019 B15R0.70 CCCCOCCCCOCCCCOC 34a_200000760531_100000755781 [0,2,0,0,0,0|2,0,0]=4 16020 B15R0.70 CCCCOCCCCOCCCCOC 7a_200000760531_100000730899 [0,2,0,0,0,0|2,0,0]=4 16021 B15R0.70 CCCCOCCCNCCCCCC#N 2230a_200000211371_100009813376 [0,2,0,0,0,0|1,0,1]=4 16022 B15R0.70 CCCCOCCCNCCCCCC=O 2230a_200000211371_100000139337 [0,2,0,0,0,0|0,0,0]=2 16023 B15R0.70 CCCCOCCCNCCCCCCF 2230a_200000211371_100015922095 [0,2,0,0,0,0|1,0,1]=4 16024 B15R0.70 CCCCOCCCNCCCCCCF 34a_200000211371_100015922095 [0,2,0,0,0,0|1,0,1]=4 16025 B15R0.70 CCCCOCCCNCCCCCCO 2230a_200000211371_100000766143 [0,2,0,0,0,0|0,0,2]=4 16026 B15R0.70 CCCCOCCCNCCCCCCO 34a_200000211371_100000766143 [0,2,0,0,0,0|0,0,2]=4 16027 B15R0.70 CCCCOCCCOCCCCCC#N 7a_200011215613_100009813376 [0,2,0,0,0,0|1,0,1]=4 16028 B15R0.70 CCCCOCCCOCCCCCC=O 7a_200011215613_100000139337 [0,2,0,0,0,0|0,0,0]=2 16029 B15R0.70 CCCCOCCCOCCCCCCF 34a_200011215613_100015922095 [0,2,0,0,0,0|1,0,1]=4 16030 B15R0.70 CCCCOCCCOCCCCCCF 7a_200011215613_100015922095 [0,2,0,0,0,0|1,0,1]=4 16031 B15R0.70 CCCCOCCCOCCCCCCO 34a_200011215613_100000766143 [0,2,0,0,0,0|0,0,2]=4 16032 B15R0.70 CCCCOCCCOCCCCCCO 7a_200011215613_100000766143 [0,2,0,0,0,0|0,0,2]=4 16033 B15R0.70 CCCCOCCNCCCCCCCO 2230a_100011996573_100000743108 [0,2,0,0,0,0|0,0,2]=4 16034 B15R0.70 CCCCOCCNCCCCCCCO 34a_100011996573_100000743108 [0,2,0,0,0,0|0,0,2]=4 16035 B15R0.70 CCCCOCCOCCCCCCC#N 7a_100000210238_100009813337 [0,2,0,0,0,0|1,0,1]=4 16036 B15R0.70 CCCCOCCOCCCCCCCBr 34a_100000760002_100000743108 [0,2,0,0,0,0|1,0,1]=4 16037 B15R0.70 CCCCOCCOCCCCCCCBr 7a_100000760002_100000743108 [0,2,0,0,0,0|1,0,1]=4 16038 B15R0.70 CCCCOCCOCCCCCCCN 34a_100011996573_100000743108 [0,2,0,0,0,0|1,0,1]=4 16039 B15R0.70 CCCCOCCOCCCCCCCO 34a_100000210238_100000760002 [0,2,0,0,0,0|0,0,2]=4 16040 B15R0.70 CCCCOCCOCCCCCCCO 7a_100000210238_100000760002 [0,2,0,0,0,0|0,0,2]=4 16041 B15R0.70 CCCCOCCOCCCCCCOC 34a_100000210238_100011998445 [0,2,0,0,0,0|2,0,0]=4 16042 B15R0.70 CCCCOCCOCCCCCCOC 34a_200012092642_100000743108 [0,2,0,0,0,0|2,0,0]=4 16043 B15R0.70 CCCCOCCOCCCCCCOC 7a_100000210238_100011998445 [0,2,0,0,0,0|2,0,0]=4 16044 B15R0.70 CCCCOCCOCCCCCCOC 7a_200012092642_100000743108 [0,2,0,0,0,0|2,0,0]=4 16045 B15R0.70 CCCCOCCOCCOCCCC=O 7a_100011215186_200011292268 [0,2,0,0,0,0|1,0,0]=3 16046 B15R0.70 CCCCOCCSCCCCCCC#N 62a_100000743108_100009813337 [0,2,0,0,0,0|1,0,1]=4 16047 B15R0.70 CCCCOCCSCCCCCCC#N 62a_100009813337_100000743108 [0,2,0,0,0,0|1,0,1]=4 16048 B15R0.70 CCCCOCCSCCCCCCCO 62a_100000743108_100000760002 [0,2,0,0,0,0|0,0,2]=4 16049 B15R0.70 CCCCOCCSCCCCCCCO 62a_100000760002_100000743108 [0,2,0,0,0,0|0,0,2]=4 16050 B15R0.70 CCCCOCCSCCCCCCOC 62a_100000743108_100011998445 [0,2,0,0,0,0|2,0,0]=4 16051 B15R0.70 CCCCOCCSCCCCCCOC 62a_100011998445_100000743108 [0,2,0,0,0,0|2,0,0]=4 16052 B15R0.70 CCCCOCNCCCCCCCCO 2230a_102515433106_100011995733 [0,2,0,0,0,0|0,0,2]=4 16053 B15R0.70 CCCCOCNCCCCCCCCO 34a_102515433106_100011995733 [0,2,0,0,0,0|0,0,2]=4 16054 B15R0.70 CCCCOCOCCCCCCCCBr 34a_100009813846_100011995733 [0,2,0,0,0,0|1,0,1]=4 16055 B15R0.70 CCCCOCOCCCCCCCCCl 34a_100000033203_100011995733 [0,2,0,0,0,0|1,0,1]=4 16056 B15R0.70 CCCCOCOCCCCCCCCN 34a_102515433106_100011995733 [0,2,0,0,0,0|1,0,1]=4 16057 B15R0.70 CCCCOCSCCCCCCCCO 62a_100000033203_100011995733 [0,2,0,0,0,0|0,0,2]=4 16058 B15R0.70 CCCCOCSCCCCCCCCO 62a_100011995733_100000033203 [0,2,0,0,0,0|0,0,2]=4 16059 B15R0.70 CCCCSCCCCCCCCCCO 62a_100000210211_200000033068 [0,2,0,0,0,0|0,0,2]=4 16060 B15R0.70 CCCCSCCCCCCCCCCO 62a_100009813290_100000210210 [0,2,0,0,0,0|0,0,2]=4 16061 B15R0.70 CCCCSCCNCCCCCCC#N 2230a_100025743550_100009813337 [0,2,0,0,0,0|1,0,1]=4 16062 B15R0.70 CCCCSCCNCCCCCCCO 2230a_100025743550_100000760002 [0,2,0,0,0,0|0,0,2]=4 16063 B15R0.70 CCCCSCCNCCCCCCOC 2230a_100025743550_100011998445 [0,2,0,0,0,0|2,0,0]=4 16064 B15R0.70 CCCCSCCOCCCCCCC#N 7a_200000230436_100009813337 [0,2,0,0,0,0|1,0,1]=4 16065 B15R0.70 CCCCSCCOCCCCCCCO 34a_200000230436_100000760002 [0,2,0,0,0,0|0,0,2]=4 16066 B15R0.70 CCCCSCCOCCCCCCCO 7a_200000230436_100000760002 [0,2,0,0,0,0|0,0,2]=4 16067 B15R0.70 CCCCSCCOCCCCCCOC 34a_200000230436_100011998445 [0,2,0,0,0,0|2,0,0]=4 16068 B15R0.70 CCCCSCCOCCCCCCOC 7a_200000230436_100011998445 [0,2,0,0,0,0|2,0,0]=4 16069 B15R0.70 CCCOCCCCCCCCCCCBr 34a_100009812471_100000210303 [0,2,0,0,0,0|1,0,1]=4 16070 B15R0.70 CCCOCCCCCCCCCCCBr 7a_100009812471_100000210303 [0,2,0,0,0,0|1,0,1]=4 16071 B15R0.70 CCCOCCCCCCCCCCCO 34a_100000210258_100009812471 [0,2,0,0,0,0|0,0,2]=4 16072 B15R0.70 CCCOCCCCCCCCCOCC 34a_100009875440_100000210303 [0,2,0,0,0,0|1,0,1]=4 16073 B15R0.70 CCCOCCCCCCCCCOCC 7a_100009875440_100000210303 [0,2,0,0,0,0|1,0,1]=4 16074 B15R0.70 CCCOCCCNCCCCCCC#N 2230a_100011217757_100009813337 [0,2,0,0,0,0|1,0,1]=4 16075 B15R0.70 CCCOCCCNCCCCCCCO 2230a_100011217757_100000760002 [0,2,0,0,0,0|0,0,2]=4 16076 B15R0.70 CCCOCCCNCCCCCCCO 34a_100011217757_100000760002 [0,2,0,0,0,0|0,0,2]=4 16077 B15R0.70 CCCOCCCNCCCCCCOC 2230a_100011217757_100011998445 [0,2,0,0,0,0|2,0,0]=4 16078 B15R0.70 CCCOCCCNCCCCCCOC 34a_100011217757_100011998445 [0,2,0,0,0,0|2,0,0]=4 16079 B15R0.70 CCCOCCNCCCCCCCCO 2230a_100161115042_100000033203 [0,2,0,0,0,0|0,0,2]=4 16080 B15R0.70 CCCOCCNCCCCCCCCO 2230a_102515433106_100011215938 [0,2,0,0,0,0|0,0,2]=4 16081 B15R0.70 CCCOCCNCCCCCCCCO 34a_100161115042_100000033203 [0,2,0,0,0,0|0,0,2]=4 16082 B15R0.70 CCCOCCNCCCCCCCCO 34a_102515433106_100011215938 [0,2,0,0,0,0|0,0,2]=4 16083 B15R0.70 CCCOCCOCCCCCCCCBr 34a_100009813846_100011215938 [0,2,0,0,0,0|1,0,1]=4 16084 B15R0.70 CCCOCCOCCCCCCCCBr 7a_100009813846_100011215938 [0,2,0,0,0,0|1,0,1]=4 16085 B15R0.70 CCCOCCOCCCCCCCCCl 34a_100000033203_100011215938 [0,2,0,0,0,0|1,0,1]=4 16086 B15R0.70 CCCOCCOCCCCCCCCCl 7a_100000033203_100011215938 [0,2,0,0,0,0|1,0,1]=4 16087 B15R0.70 CCCOCCOCCCCCCCCN 34a_102515433106_100011215938 [0,2,0,0,0,0|1,0,1]=4 16088 B15R0.70 CCCOCCOCCCCCCCCO 34a_100000752267_100000033203 [0,2,0,0,0,0|0,0,2]=4 16089 B15R0.70 CCCOCCOCCCCCCCCO 7a_100000752267_100000033203 [0,2,0,0,0,0|0,0,2]=4 16090 B15R0.70 CCCOCCOCCNCCCCC=O 2230a_200011904461_100000139335 [0,2,0,0,0,0|1,0,0]=3 16091 B15R0.70 CCCOCCSCCCCCCCCO 62a_100000033203_100011215938 [0,2,0,0,0,0|0,0,2]=4 16092 B15R0.70 CCCOCCSCCCCCCCCO 62a_100011215938_100000033203 [0,2,0,0,0,0|0,0,2]=4 16093 B15R0.70 CCCSCCCCCCCCCCCO 62a_100009812471_100000210303 [0,2,0,0,0,0|0,0,2]=4 16094 B15R0.70 CCCSCCNCCCCCCCCO 2230a_100020603323_100000033203 [0,2,0,0,0,0|0,0,2]=4 16095 B15R0.70 CCCSCCOCCCCCCCCO 34a_200000230433_100000033203 [0,2,0,0,0,0|0,0,2]=4 16096 B15R0.70 CCCSCCOCCCCCCCCO 7a_200000230433_100000033203 [0,2,0,0,0,0|0,0,2]=4 16097 B15R0.70 CCNCCCCCCCCCCCCO 2230a_100000066677_100000210202 [0,2,0,0,0,0|0,0,2]=4 16098 B15R0.70 CCNCCCCCCCCCCCCO 2230a_100015525214_100009813331 [0,2,0,0,0,0|0,0,2]=4 16099 B15R0.70 CCNCCCCCCCCCCCCO 34a_100000066677_100000210202 [0,2,0,0,0,0|0,0,2]=4 16100 B15R0.70 CCNCCCCCCOCCCCCO 2230a_100015525214_200132310570 [0,2,0,0,0,0|0,0,2]=4 16101 B15R0.70 CCOCCCCCCCCCCCCBr 34a_100009813331_100000210202 [0,2,0,0,0,0|1,0,1]=4 16102 B15R0.70 CCOCCCCCCCCCCCCBr 7a_100009813331_100000210202 [0,2,0,0,0,0|1,0,1]=4 16103 B15R0.70 CCOCCCCCCCCCCCCN 34a_100000066677_100000210202 [0,2,0,0,0,0|1,0,1]=4 16104 B15R0.70 CCOCCCCCCCCCCCCO 34a_100121572206_100009813331 [0,2,0,0,0,0|0,0,2]=4 16105 B15R0.70 CCOCCCCCCCCCOCC#N 7a_100009875440_100011215382 [0,2,0,0,0,0|1,0,1]=4 16106 B15R0.70 CCOCCCCCCCCCOCC=O 34a_100009875440_200009817547 [0,2,0,0,0,0|0,0,0]=2 16107 B15R0.70 CCOCCCCCCCCCOCC=O 7a_100009875440_200015260668 [0,2,0,0,0,0|0,0,0]=2 16108 B15R0.70 CCOCCCCCCCCCOCCF 34a_100009875440_100011217306 [0,2,0,0,0,0|1,0,1]=4 16109 B15R0.70 CCOCCCCCCCCCOCCF 7a_100009875440_100011217306 [0,2,0,0,0,0|1,0,1]=4 16110 B15R0.70 CCOCCCCCCCCCOCCO 34a_100009875440_100000211926 [0,2,0,0,0,0|0,0,2]=4 16111 B15R0.70 CCOCCCCCCCCCOCCO 7a_100009875440_100000211926 [0,2,0,0,0,0|0,0,2]=4 16112 B15R0.70 CCOCCCCCCCCCOCSC 34a_100009875440_100011218213 [0,2,0,0,0,0|2,0,0]=4 16113 B15R0.70 CCOCCCCCCOCCCCCO 34a_100121572206_200132310570 [0,2,0,0,0,0|0,0,2]=4 16114 B15R0.70 CCOCCCCCOCCCCCCCl 34a_200132310570_100000210202 [0,2,0,0,0,0|1,0,1]=4 16115 B15R0.70 CCOCCCCCOCCCCCCCl 7a_200132310570_100000210202 [0,2,0,0,0,0|1,0,1]=4 16116 B15R0.70 CCOCCCNCCCCCCCCO 2230a_100000210961_100000033203 [0,2,0,0,0,0|0,0,2]=4 16117 B15R0.70 CCOCCCNCCCCCCCCO 2230a_102515433106_100012232248 [0,2,0,0,0,0|0,0,2]=4 16118 B15R0.70 CCOCCCNCCCCCCCCO 34a_100000210961_100000033203 [0,2,0,0,0,0|0,0,2]=4 16119 B15R0.70 CCOCCCNCCCCCCCCO 34a_102515433106_100012232248 [0,2,0,0,0,0|0,0,2]=4 16120 B15R0.70 CCOCCCOCCCCCCCCBr 34a_100009813846_100012232248 [0,2,0,0,0,0|1,0,1]=4 16121 B15R0.70 CCOCCCOCCCCCCCCBr 7a_100009813846_100012232248 [0,2,0,0,0,0|1,0,1]=4 16122 B15R0.70 CCOCCCOCCCCCCCCCl 34a_100000033203_100012232248 [0,2,0,0,0,0|1,0,1]=4 16123 B15R0.70 CCOCCCOCCCCCCCCCl 7a_100000033203_100012232248 [0,2,0,0,0,0|1,0,1]=4 16124 B15R0.70 CCOCCCOCCCCCCCCN 34a_102515433106_100012232248 [0,2,0,0,0,0|1,0,1]=4 16125 B15R0.70 CCOCCCOCCCCCCCCO 34a_100000757476_100000033203 [0,2,0,0,0,0|0,0,2]=4 16126 B15R0.70 CCOCCCOCCCCCCCCO 7a_100000757476_100000033203 [0,2,0,0,0,0|0,0,2]=4 16127 B15R0.70 CCOCCCSCCCCCCCCO 62a_100000033203_100012232248 [0,2,0,0,0,0|0,0,2]=4 16128 B15R0.70 CCOCCCSCCCCCCCCO 62a_100012232248_100000033203 [0,2,0,0,0,0|0,0,2]=4 16129 B15R0.70 CCOCCNCCCCCCCCCO 2230a_100000078944_100011215890 [0,2,0,0,0,0|0,0,2]=4 16130 B15R0.70 CCOCCNCCCCCCCCCO 2230a_102516460346_100009813782 [0,2,0,0,0,0|0,0,2]=4 16131 B15R0.70 CCOCCNCCCCCCCCCO 34a_100000078944_100000210147 [0,2,0,0,0,0|0,0,2]=4 16132 B15R0.70 CCOCCNCCCCCCCCCO 34a_102516460346_100009813782 [0,2,0,0,0,0|0,0,2]=4 16133 B15R0.70 CCOCCOCCCCCCCCCBr 34a_100009813782_100000210147 [0,2,0,0,0,0|1,0,1]=4 16134 B15R0.70 CCOCCOCCCCCCCCCBr 7a_100009813782_100011215890 [0,2,0,0,0,0|1,0,1]=4 16135 B15R0.70 CCOCCOCCCCCCCCCCl 34a_100009868337_100000210147 [0,2,0,0,0,0|1,0,1]=4 16136 B15R0.70 CCOCCOCCCCCCCCCCl 7a_100009868337_100011215890 [0,2,0,0,0,0|1,0,1]=4 16137 B15R0.70 CCOCCOCCCCCCCCCN 34a_100000078944_100000210147 [0,2,0,0,0,0|1,0,1]=4 16138 B15R0.70 CCOCCOCCCCCCCCCO 34a_100000210136_100009813782 [0,2,0,0,0,0|0,0,2]=4 16139 B15R0.70 CCOCCOCCCCCCCCCO 7a_100000210136_100009813782 [0,2,0,0,0,0|0,0,2]=4 16140 B15R0.70 CCOCCOCCNCCCCCC=O 2230a_100102712874_100000139337 [0,2,0,0,0,0|1,0,0]=3 16141 B15R0.70 CCOCCOCCOCCCCCC=O 7a_100000210240_100000139337 [0,2,0,0,0,0|1,0,0]=3 16142 B15R0.70 CCOCCOCCSCCCCCC=O 62a_100000139337_100011211534 [0,2,0,0,0,0|1,0,0]=3 16143 B15R0.70 CCOCCOCCSCCCCCC=O 62a_100011211534_100000139337 [0,2,0,0,0,0|1,0,0]=3 16144 B15R0.70 CCOCCSCCCCCCCCCO 62a_100000210147_100009813782 [0,2,0,0,0,0|0,0,2]=4 16145 B15R0.70 CCOCCSCCCCCCCCCO 62a_100009813782_100011215890 [0,2,0,0,0,0|0,0,2]=4 16146 B15R0.70 CCOCSCCCCCCCCCCO 62a_100000739092_200000033068 [0,2,0,0,0,0|0,0,2]=4 16147 B15R0.70 CCOCSCCCCCCCCCCO 62a_100009813290_100000739092 [0,2,0,0,0,0|0,0,2]=4 16148 B15R0.70 CCSCCCCCCCCCCCCO 62a_100009813331_100000210202 [0,2,0,0,0,0|0,0,2]=4 16149 B15R0.70 CCSCCCCCCOCCCCCO 62a_100000210202_200132310570 [0,2,0,0,0,0|0,0,2]=4 16150 B15R0.70 CCSCCCCCCOCCCCCO 62a_200132310570_100000210202 [0,2,0,0,0,0|0,0,2]=4 16151 B15R0.70 CCSCCCOCCCCCCCCO 34a_100011216438_100000033203 [0,2,0,0,0,0|0,0,2]=4 16152 B15R0.70 CCSCCCOCCCCCCCCO 7a_100011216438_100000033203 [0,2,0,0,0,0|0,0,2]=4 16153 B15R0.70 CCSCCNCCCCCCCCCO 2230a_100000078944_100000757381 [0,2,0,0,0,0|0,0,2]=4 16154 B15R0.70 CCSCCNCCCCCCCCCO 2230a_100000106463_100009813782 [0,2,0,0,0,0|0,0,2]=4 16155 B15R0.70 CCSCCNCCCCCCCCCO 34a_100000078944_100000757381 [0,2,0,0,0,0|0,0,2]=4 16156 B15R0.70 CCSCCOCCCCCCCCCBr 34a_100009813782_100000757381 [0,2,0,0,0,0|1,0,1]=4 16157 B15R0.70 CCSCCOCCCCCCCCCBr 7a_100009813782_100000757381 [0,2,0,0,0,0|1,0,1]=4 16158 B15R0.70 CCSCCOCCCCCCCCCCl 34a_100009868337_100000757381 [0,2,0,0,0,0|1,0,1]=4 16159 B15R0.70 CCSCCOCCCCCCCCCCl 7a_100009868337_100000757381 [0,2,0,0,0,0|1,0,1]=4 16160 B15R0.70 CCSCCOCCCCCCCCCN 34a_100000078944_100000757381 [0,2,0,0,0,0|1,0,1]=4 16161 B15R0.70 CCSCCOCCCCCCCCCO 34a_100000212035_100009813782 [0,2,0,0,0,0|0,0,2]=4 16162 B15R0.70 CCSCCOCCCCCCCCCO 7a_100000212035_100009813782 [0,2,0,0,0,0|0,0,2]=4 16163 B15R0.70 CCSCCSCCCCCCCCCO 62a_100000757381_100009813782 [0,2,0,0,0,0|0,0,2]=4 16164 B15R0.70 CCSCCSCCCCCCCCCO 62a_100009813782_100000757381 [0,2,0,0,0,0|0,0,2]=4 16165 B15R0.70 CNCCCCCCCCCCCCCO 2230a_106832991635_100009812470 [0,2,0,0,0,0|0,0,2]=4 16166 B15R0.70 CNCCCCCCCCCCCCCO 34a_100102657272_100009812470 [0,2,0,0,0,0|0,0,2]=4 16167 B15R0.70 CNCCCCCCCCCCCCCO 7a_106832991635_100009812470 [0,2,0,0,0,0|0,0,2]=4 16168 B15R0.70 CNCCCCCOCCCCCCCO 34a_100000722520_100000760002 [0,2,0,0,0,0|0,0,2]=4 16169 B15R0.70 CNCCCCCOCCCCCCOC 34a_100000722520_100011998445 [0,2,0,0,0,0|2,0,0]=4 16170 B15R0.70 CNCCCOCCCCCCCCCO 34a_100000213112_100009813782 [0,2,0,0,0,0|0,0,2]=4 16171 B15R0.70 COCCCCCCCCCCCCCBr 34a_100009812470_200000210301 [0,2,0,0,0,0|0,0,2]=4 16172 B15R0.70 COCCCCCCCCCCCCCBr 7a_100009812470_200000210301 [0,2,0,0,0,0|0,0,2]=4 16173 B15R0.70 COCCCCCCCCCCCCCO 34a_100138415774_100009812470 [0,2,0,0,0,0|0,0,2]=4 16174 B15R0.70 COCCCCCCNCCCCCCO 2230a_100000686447_100011998445 [0,2,0,0,0,0|0,0,2]=4 16175 B15R0.70 COCCCCCCNCCCCCCO 34a_100000686447_100011998445 [0,2,0,0,0,0|0,0,2]=4 16176 B15R0.70 COCCCCCCNCCCCCOC 2230a_100000747528_100011998445 [0,2,0,0,0,0|2,0,0]=4 16177 B15R0.70 COCCCCCCNCCCCCOC 34a_100000747528_100011998445 [0,2,0,0,0,0|2,0,0]=4 16178 B15R0.70 COCCCCCCOCCCCCC#N 7a_200012092642_100009813376 [0,2,0,0,0,0|1,0,1]=4 16179 B15R0.70 COCCCCCCOCCCCCC=O 7a_200012092642_100000139337 [0,2,0,0,0,0|0,0,0]=2 16180 B15R0.70 COCCCCCCOCCCCCCBr 34a_100011215345_100011998445 [0,2,0,0,0,0|1,0,1]=4 16181 B15R0.70 COCCCCCCOCCCCCCBr 7a_100011215345_100011998445 [0,2,0,0,0,0|1,0,1]=4 16182 B15R0.70 COCCCCCCOCCCCCCCl 34a_100000766143_100011998445 [0,2,0,0,0,0|1,0,1]=4 16183 B15R0.70 COCCCCCCOCCCCCCCl 7a_100000766143_100011998445 [0,2,0,0,0,0|1,0,1]=4 16184 B15R0.70 COCCCCCCOCCCCCCF 34a_100000732779_100011998445 [0,2,0,0,0,0|1,0,1]=4 16185 B15R0.70 COCCCCCCOCCCCCCF 34a_200012092642_100015922095 [0,2,0,0,0,0|1,0,1]=4 16186 B15R0.70 COCCCCCCOCCCCCCF 7a_100000732779_100011998445 [0,2,0,0,0,0|1,0,1]=4 16187 B15R0.70 COCCCCCCOCCCCCCF 7a_200012092642_100015922095 [0,2,0,0,0,0|1,0,1]=4 16188 B15R0.70 COCCCCCCOCCCCCCN 34a_100000686447_100011998445 [0,2,0,0,0,0|1,0,1]=4 16189 B15R0.70 COCCCCCCOCCCCCCO 34a_200012092642_100000766143 [0,2,0,0,0,0|0,0,2]=4 16190 B15R0.70 COCCCCCCOCCCCCCO 7a_200012092642_100000766143 [0,2,0,0,0,0|0,0,2]=4 16191 B15R0.70 COCCCCCCSCCCCCC#N 62a_100009813376_100011998445 [0,2,0,0,0,0|1,0,1]=4 16192 B15R0.70 COCCCCCCSCCCCCC#N 62a_100011998445_100009813376 [0,2,0,0,0,0|1,0,1]=4 16193 B15R0.70 COCCCCCCSCCCCCC=O 62a_100000139337_100011998445 [0,2,0,0,0,0|0,0,0]=2 16194 B15R0.70 COCCCCCCSCCCCCC=O 62a_100011998445_100000139337 [0,2,0,0,0,0|0,0,0]=2 16195 B15R0.70 COCCCCCCSCCCCCCF 62a_100011998445_100015922095 [0,2,0,0,0,0|1,0,1]=4 16196 B15R0.70 COCCCCCCSCCCCCCF 62a_100015922095_100011998445 [0,2,0,0,0,0|1,0,1]=4 16197 B15R0.70 COCCCCCCSCCCCCCO 62a_100000766143_100011998445 [0,2,0,0,0,0|0,0,2]=4 16198 B15R0.70 COCCCCCCSCCCCCCO 62a_100011998445_100000766143 [0,2,0,0,0,0|0,0,2]=4 16199 B15R0.70 COCCCCCNCCCCCCC#N 2230a_100000747528_100009813337 [0,2,0,0,0,0|1,0,1]=4 16200 B15R0.70 COCCCCCNCCCCCCCO 2230a_100000747528_100000760002 [0,2,0,0,0,0|0,0,2]=4 16201 B15R0.70 COCCCCCNCCCCCCCO 34a_100000747528_100000760002 [0,2,0,0,0,0|0,0,2]=4 16202 B15R0.70 COCCCCNCCCCCCCCO 2230a_102515433106_100000730899 [0,2,0,0,0,0|0,0,2]=4 16203 B15R0.70 COCCCCNCCCCCCCCO 34a_102515433106_100000755781 [0,2,0,0,0,0|0,0,2]=4 16204 B15R0.70 COCCCCOCCCCCCCCBr 34a_100009813846_100000755781 [0,2,0,0,0,0|1,0,1]=4 16205 B15R0.70 COCCCCOCCCCCCCCBr 7a_100009813846_100000730899 [0,2,0,0,0,0|1,0,1]=4 16206 B15R0.70 COCCCCOCCCCCCCCCl 34a_100000033203_100000755781 [0,2,0,0,0,0|1,0,1]=4 16207 B15R0.70 COCCCCOCCCCCCCCCl 7a_100000033203_100000730899 [0,2,0,0,0,0|1,0,1]=4 16208 B15R0.70 COCCCCOCCCCCCCCN 34a_102515433106_100000755781 [0,2,0,0,0,0|1,0,1]=4 16209 B15R0.70 COCCCCOCCCCCCCCO 34a_100000740925_100000033203 [0,2,0,0,0,0|0,0,2]=4 16210 B15R0.70 COCCCCSCCCCCCCCO 62a_100000033203_100000730899 [0,2,0,0,0,0|0,0,2]=4 16211 B15R0.70 COCCCCSCCCCCCCCO 62a_100000730899_100000033203 [0,2,0,0,0,0|0,0,2]=4 16212 B15R0.70 COCCCNCCCCCCCCCO 2230a_100000078944_100000740836 [0,2,0,0,0,0|0,0,2]=4 16213 B15R0.70 COCCCNCCCCCCCCCO 34a_100000078944_100000740836 [0,2,0,0,0,0|0,0,2]=4 16214 B15R0.70 COCCCNCCCCCCCCCO 34a_100150723488_100009813782 [0,2,0,0,0,0|0,0,2]=4 16215 B15R0.70 COCCCOCCCCCCCCCBr 34a_100009813782_100000740836 [0,2,0,0,0,0|1,0,1]=4 16216 B15R0.70 COCCCOCCCCCCCCCBr 7a_100009813782_100000740836 [0,2,0,0,0,0|1,0,1]=4 16217 B15R0.70 COCCCOCCCCCCCCCCl 34a_100009868337_100000740836 [0,2,0,0,0,0|1,0,1]=4 16218 B15R0.70 COCCCOCCCCCCCCCCl 7a_100009868337_100000740836 [0,2,0,0,0,0|1,0,1]=4 16219 B15R0.70 COCCCOCCCCCCCCCN 34a_100000078944_100000740836 [0,2,0,0,0,0|1,0,1]=4 16220 B15R0.70 COCCCOCCCCCCCCCO 34a_100000740835_100009813782 [0,2,0,0,0,0|0,0,2]=4 16221 B15R0.70 COCCCOCCCOCCCCC=O 7a_200011215475_100000139335 [0,2,0,0,0,0|1,0,0]=3 16222 B15R0.70 COCCCSCCCCCCCCCO 62a_100000709357_100009813782 [0,2,0,0,0,0|0,0,2]=4 16223 B15R0.70 COCCCSCCCCCCCCCO 62a_100009813782_100000709357 [0,2,0,0,0,0|0,0,2]=4 16224 B15R0.70 COCCNCCCCCCCCCCO 2230a_100000066964_100011201679 [0,2,0,0,0,0|0,0,2]=4 16225 B15R0.70 COCCNCCCCCCCCCCO 2230a_100000209980_100009813290 [0,2,0,0,0,0|0,0,2]=4 16226 B15R0.70 COCCNCCCCCCCCCCO 34a_100000066964_100011201679 [0,2,0,0,0,0|0,0,2]=4 16227 B15R0.70 COCCOCCCCCCCCCCBr 34a_100009813290_100011201679 [0,2,0,0,0,0|1,0,1]=4 16228 B15R0.70 COCCOCCCCCCCCCCBr 7a_100009813290_100000233755 [0,2,0,0,0,0|1,0,1]=4 16229 B15R0.70 COCCOCCCCCCCCCCCl 34a_200000033068_100011201679 [0,2,0,0,0,0|1,0,1]=4 16230 B15R0.70 COCCOCCCCCCCCCCCl 7a_200000033068_100000233755 [0,2,0,0,0,0|1,0,1]=4 16231 B15R0.70 COCCOCCCCCCCCCCN 34a_100000066964_100011201679 [0,2,0,0,0,0|1,0,1]=4 16232 B15R0.70 COCCOCCCCCCCCCCO 34a_100000210237_100009813290 [0,2,0,0,0,0|0,0,2]=4 16233 B15R0.70 COCCOCCCNCCCCCC=O 2230a_100000206027_100000139337 [0,2,0,0,0,0|1,0,0]=3 16234 B15R0.70 COCCOCCCSCCCCCC=O 62a_100000139337_100011216529 [0,2,0,0,0,0|1,0,0]=3 16235 B15R0.70 COCCOCCCSCCCCCC=O 62a_100011216529_100000139337 [0,2,0,0,0,0|1,0,0]=3 16236 B15R0.70 COCCOCCOCCNCCCC=O 2230a_100012028300_200011292268 [0,2,0,0,0,0|2,0,0]=4 16237 B15R0.70 COCCOCCOCCOCCCC=O 7a_100000688194_200011292268 [0,2,0,0,0,0|2,0,0]=4 16238 B15R0.70 COCCOCCOCCSCCCC=O 62a_100013367474_200011292268 [0,2,0,0,0,0|2,0,0]=4 16239 B15R0.70 COCCOCCOCCSCCCC=O 62a_200011292268_100013367474 [0,2,0,0,0,0|2,0,0]=4 16240 B15R0.70 COCCSCCCCCCCCCCO 62a_100000233755_200000033068 [0,2,0,0,0,0|0,0,2]=4 16241 B15R0.70 COCCSCCCCCCCCCCO 62a_100009813290_100000233755 [0,2,0,0,0,0|0,0,2]=4 16242 B15R0.70 COCSCCCCCCCCCCCO 62a_100009812471_100000766300 [0,2,0,0,0,0|0,0,2]=4 16243 B15R0.70 CSCCCCCCCCCCCCCO 62a_100009812470_200000210301 [0,2,0,0,0,0|0,0,2]=4 16244 B15R0.70 CSCCCCOCCCCCCCCO 34a_100011217163_100000033203 [0,2,0,0,0,0|0,0,2]=4 16245 B15R0.70 CSCCCCOCCCCCCCCO 7a_100011217163_100000033203 [0,2,0,0,0,0|0,0,2]=4 16246 B15R0.70 CSCCCNCCCCCCCCCO 2230a_100000749238_100009813782 [0,2,0,0,0,0|0,0,2]=4 16247 B15R0.70 CSCCCOCCCCCCCCCO 34a_100000690336_100009813782 [0,2,0,0,0,0|0,0,2]=4 16248 B15R0.70 CSCCCOCCCCCCCCCO 7a_100000690336_100009813782 [0,2,0,0,0,0|0,0,2]=4 16249 B15R0.70 CSCCNCCCCCCCCCCO 2230a_100000066964_100000751147 [0,2,0,0,0,0|0,0,2]=4 16250 B15R0.70 CSCCNCCCCCCCCCCO 2230a_100020590264_100009813290 [0,2,0,0,0,0|0,0,2]=4 16251 B15R0.70 CSCCNCCCCCCCCCCO 34a_100000066964_100000212216 [0,2,0,0,0,0|0,0,2]=4 16252 B15R0.70 CSCCOCCCCCCCCCCBr 34a_100009813290_100000212216 [0,2,0,0,0,0|1,0,1]=4 16253 B15R0.70 CSCCOCCCCCCCCCCBr 7a_100009813290_100000212216 [0,2,0,0,0,0|1,0,1]=4 16254 B15R0.70 CSCCOCCCCCCCCCCCl 34a_200000033068_100000212216 [0,2,0,0,0,0|1,0,1]=4 16255 B15R0.70 CSCCOCCCCCCCCCCCl 7a_200000033068_100000212216 [0,2,0,0,0,0|1,0,1]=4 16256 B15R0.70 CSCCOCCCCCCCCCCN 34a_100000066964_100000212216 [0,2,0,0,0,0|1,0,1]=4 16257 B15R0.70 CSCCOCCCCCCCCCCO 34a_100000230434_100009813290 [0,2,0,0,0,0|0,0,2]=4 16258 B15R0.70 CSCCOCCCCCCCCCCO 7a_100000230434_100009813290 [0,2,0,0,0,0|0,0,2]=4 16259 B15R0.70 CSCCSCCCCCCCCCCO 62a_100000212216_200000033068 [0,2,0,0,0,0|0,0,2]=4 16260 B15R0.70 CSCCSCCCCCCCCCCO 62a_100009813290_100000751147 [0,2,0,0,0,0|0,0,2]=4 16261 B15R0.70 CSCOCCCCCCCCCCCBr 34a_100009812471_100011218213 [0,2,0,0,0,0|1,0,1]=4 16262 B15R0.70 CSCSCCCCCCCCCCCO 62a_100009812471_100011218213 [0,2,0,0,0,0|0,0,2]=4 16263 B15R0.70 FCCCCCCOCCCCCCCBr 34a_100000760002_100015922095 [0,2,0,0,0,0|1,0,1]=4 16264 B15R0.70 FCCCCCCOCCCCCCCBr 7a_100000760002_100015922095 [0,2,0,0,0,0|1,0,1]=4 16265 B15R0.70 FCCCCCOCCCCCCCCBr 34a_100009813846_100000729378 [0,2,0,0,0,0|1,0,1]=4 16266 B15R0.70 FCCCCCOCCCCCCCCBr 7a_100009813846_100000729378 [0,2,0,0,0,0|1,0,1]=4 16267 B15R0.70 FCCCCCOCCCCCCCCCl 34a_100000033203_100000729378 [0,2,0,0,0,0|1,0,1]=4 16268 B15R0.70 FCCCCCOCCCCCCCCCl 7a_100000033203_100000729378 [0,2,0,0,0,0|1,0,1]=4 16269 B15R0.70 FCCCCOCCCCCCCCCBr 34a_100009813782_100000729493 [0,2,0,0,0,0|1,0,1]=4 16270 B15R0.70 FCCCCOCCCCCCCCCBr 7a_100009813782_100000729493 [0,2,0,0,0,0|1,0,1]=4 16271 B15R0.70 FCCCCOCCCCCCCCCCl 34a_100009868337_100000729493 [0,2,0,0,0,0|1,0,1]=4 16272 B15R0.70 FCCCCOCCCCCCCCCCl 7a_100009868337_100000729493 [0,2,0,0,0,0|1,0,1]=4 16273 B15R0.70 FCCCOCCCCCCCCCCBr 34a_100009813290_100011934791 [0,2,0,0,0,0|1,0,1]=4 16274 B15R0.70 FCCCOCCCCCCCCCCBr 7a_100009813290_100011934791 [0,2,0,0,0,0|1,0,1]=4 16275 B15R0.70 FCCCOCCCCCCCCCCCl 34a_200000033068_100011934791 [0,2,0,0,0,0|1,0,1]=4 16276 B15R0.70 FCCCOCCCCCCCCCCCl 7a_200000033068_100011934791 [0,2,0,0,0,0|1,0,1]=4 16277 B15R0.70 FCCOCCCCCCCCCCCBr 34a_100009812471_100011217306 [0,2,0,0,0,0|1,0,1]=4 16278 B15R0.70 FCCOCCCCCCCCCCCBr 7a_100009812471_100011217306 [0,2,0,0,0,0|1,0,1]=4 16279 B15R0.70 FCOCCCCCCCCCCCCBr 34a_100009813331_100015361967 [0,2,0,0,0,0|1,0,1]=4 16280 B15R0.70 FCOCCCCCCCCCCCCBr 7a_100009813331_100015361967 [0,2,0,0,0,0|1,0,1]=4 16281 B15R0.70 N#CCCCCCCNCCCCCCO 2230a_100000686447_100009813337 [0,2,0,0,0,0|1,0,1]=4 16282 B15R0.70 N#CCCCCCCOCCCCCCBr 7a_100011215345_100009813337 [0,2,0,0,0,0|1,0,1]=4 16283 B15R0.70 N#CCCCCCCOCCCCCCCl 7a_100000766143_100009813337 [0,2,0,0,0,0|1,0,1]=4 16284 B15R0.70 N#CCCCCCCOCCCCCCF 7a_100000732779_100009813337 [0,2,0,0,0,0|1,0,1]=4 16285 B15R0.70 N#CCCCCCCSCCCCCC=O 62a_100000139337_100009813337 [0,2,0,0,0,0|0,0,1]=3 16286 B15R0.70 N#CCCCCCCSCCCCCC=O 62a_100009813337_100000139337 [0,2,0,0,0,0|0,0,1]=3 16287 B15R0.70 N#CCCCCCCSCCCCCCF 62a_100009813337_100015922095 [0,2,0,0,0,0|1,0,1]=4 16288 B15R0.70 N#CCCCCCCSCCCCCCF 62a_100015922095_100009813337 [0,2,0,0,0,0|1,0,1]=4 16289 B15R0.70 N#CCCCCCCSCCCCCCO 62a_100000766143_100009813337 [0,2,0,0,0,0|1,0,1]=4 16290 B15R0.70 N#CCCCCCCSCCCCCCO 62a_100009813337_100000766143 [0,2,0,0,0,0|1,0,1]=4 16291 B15R0.70 N#CCCCCCNCCCCCCCO 2230a_100011996573_100009813376 [0,2,0,0,0,0|1,0,1]=4 16292 B15R0.70 N#CCCCCCOCCCCCCCBr 7a_100000760002_100009813376 [0,2,0,0,0,0|1,0,1]=4 16293 B15R0.70 N#CCCCCCSCCCCCCCO 62a_100000760002_100009813376 [0,2,0,0,0,0|1,0,1]=4 16294 B15R0.70 N#CCCCCCSCCCCCCCO 62a_100009813376_100000760002 [0,2,0,0,0,0|1,0,1]=4 16295 B15R0.70 N#CCCCCNCCCCCCCCO 2230a_102515433106_100000211819 [0,2,0,0,0,0|1,0,1]=4 16296 B15R0.70 N#CCCCCOCCCCCCCCBr 7a_100009813846_100000211819 [0,2,0,0,0,0|1,0,1]=4 16297 B15R0.70 N#CCCCCOCCCCCCCCCl 7a_100000033203_100000211819 [0,2,0,0,0,0|1,0,1]=4 16298 B15R0.70 N#CCCCCSCCCCCCCCO 62a_100000033203_100000211819 [0,2,0,0,0,0|1,0,1]=4 16299 B15R0.70 N#CCCCCSCCCCCCCCO 62a_100011219923_100000033203 [0,2,0,0,0,0|1,0,1]=4 16300 B15R0.70 N#CCCCNCCCCCCCCCO 2230a_100000078944_100000687738 [0,2,0,0,0,0|1,0,1]=4 16301 B15R0.70 N#CCCCOCCCCCCCCCBr 7a_100009813782_100000687738 [0,2,0,0,0,0|1,0,1]=4 16302 B15R0.70 N#CCCCOCCCCCCCCCCl 7a_100009868337_100000687738 [0,2,0,0,0,0|1,0,1]=4 16303 B15R0.70 N#CCCCSCCCCCCCCCO 62a_100000687738_100009813782 [0,2,0,0,0,0|1,0,1]=4 16304 B15R0.70 N#CCCCSCCCCCCCCCO 62a_100009813782_100000687738 [0,2,0,0,0,0|1,0,1]=4 16305 B15R0.70 N#CCCNCCCCCCCCCCO 2230a_100000066964_100011215226 [0,2,0,0,0,0|1,0,1]=4 16306 B15R0.70 N#CCCOCCCCCCCCCCBr 7a_100009813290_100000184422 [0,2,0,0,0,0|1,0,1]=4 16307 B15R0.70 N#CCCOCCCCCCCCCCCl 7a_200000033068_100000184422 [0,2,0,0,0,0|1,0,1]=4 16308 B15R0.70 N#CCCSCCCCCCCCCCO 62a_100009813290_100011215226 [0,2,0,0,0,0|1,0,1]=4 16309 B15R0.70 N#CCCSCCCCCCCCCCO 62a_100011215226_200000033068 [0,2,0,0,0,0|1,0,1]=4 16310 B15R0.70 N#CCOCCCCCCCCCCCBr 7a_100009812471_100011215382 [0,2,0,0,0,0|1,0,1]=4 16311 B15R0.70 N#CCSCCCCCCCCCCCO 62a_100009812471_100011215382 [0,2,0,0,0,0|1,0,1]=4 16312 B15R0.70 NCCCCCCCCCCCCOCF 34a_100000066677_100015361967 [0,2,0,0,0,0|1,0,1]=4 16313 B15R0.70 NCCCCCCCCCCOCCCF 34a_100000066964_100011934791 [0,2,0,0,0,0|1,0,1]=4 16314 B15R0.70 NCCCCCCCCCCOCCCO 34a_100000066964_100000230001 [0,2,0,0,0,0|0,0,2]=4 16315 B15R0.70 NCCCCCCCCCOCCCCF 34a_100000078944_100000729493 [0,2,0,0,0,0|1,0,1]=4 16316 B15R0.70 NCCCCCCCCCOCCCCO 34a_100000078944_100011216708 [0,2,0,0,0,0|0,0,2]=4 16317 B15R0.70 NCCCCCCCCOCCCCCF 34a_102515433106_100000729378 [0,2,0,0,0,0|1,0,1]=4 16318 B15R0.70 NCCCCCCCCOCCCCCO 34a_102515433106_100000746330 [0,2,0,0,0,0|0,0,2]=4 16319 B15R0.70 NCCCCCCCOCCCCCCF 34a_100011996573_100015922095 [0,2,0,0,0,0|1,0,1]=4 16320 B15R0.70 NCCCCCCCOCCCCCCO 34a_100011996573_100000766143 [0,2,0,0,0,0|0,0,2]=4 16321 B15R0.70 NCCCCCCOCCCCCCCO 34a_100000686447_100000760002 [0,2,0,0,0,0|0,0,2]=4 16322 B15R0.70 NCCCCCOCCCCCCCCO 34a_100000762737_100000033203 [0,2,0,0,0,0|0,0,2]=4 16323 B15R0.70 NCCCCOCCCCCCCCCO 34a_100000750430_100009813782 [0,2,0,0,0,0|0,0,2]=4 16324 B15R0.70 NCCCOCCCCCCCCCCO 34a_100000182051_100009813290 [0,2,0,0,0,0|0,0,2]=4 16325 B15R0.70 NCCOCCCCCCCCCCCO 34a_100000210304_100009812471 [0,2,0,0,0,0|0,0,2]=4 16326 B15R0.70 NOCCOCCCCCCCCCCO 34a_100000700252_100009813290 [0,2,0,0,0,0|2,0,0]=4 16327 B15R0.70 O=CCCCCCNCCCCCCCO 2230a_100011996573_100000139337 [0,2,0,0,0,0|0,0,0]=2 16328 B15R0.70 O=CCCCCCNCCCOCCCO 2230a_100011310245_100000139337 [0,2,0,0,0,0|1,0,0]=3 16329 B15R0.70 O=CCCCCCOCCCCCCCBr 7a_100000760002_100000139337 [0,2,0,0,0,0|0,0,0]=2 16330 B15R0.70 O=CCCCCCSCCCCCCCO 62a_100000139337_100000760002 [0,2,0,0,0,0|0,0,0]=2 16331 B15R0.70 O=CCCCCCSCCCCCCCO 62a_100000760002_100000139337 [0,2,0,0,0,0|0,0,0]=2 16332 B15R0.70 O=CCCCCNCCCCCCCCO 2230a_102515433106_100000139335 [0,2,0,0,0,0|0,0,0]=2 16333 B15R0.70 O=CCCCCNCCOCCOCCO 2230a_100011998139_100000139335 [0,2,0,0,0,0|2,0,0]=4 16334 B15R0.70 O=CCCCCOCCCCCCCCBr 7a_100009813846_100000139335 [0,2,0,0,0,0|0,0,0]=2 16335 B15R0.70 O=CCCCCOCCCCCCCCCl 7a_100000033203_100000139335 [0,2,0,0,0,0|0,0,0]=2 16336 B15R0.70 O=CCCCCOCCOCCOCCBr 7a_100010132937_100000139335 [0,2,0,0,0,0|2,0,0]=4 16337 B15R0.70 O=CCCCCOCCOCCOCCCl 7a_100000032323_100000139335 [0,2,0,0,0,0|2,0,0]=4 16338 B15R0.70 O=CCCCCSCCCCCCCCO 62a_100000033203_100000139335 [0,2,0,0,0,0|0,0,0]=2 16339 B15R0.70 O=CCCCCSCCCCCCCCO 62a_100000139335_100000033203 [0,2,0,0,0,0|0,0,0]=2 16340 B15R0.70 O=CCCCCSCCOCCOCCO 62a_100000032323_100000139335 [0,2,0,0,0,0|2,0,0]=4 16341 B15R0.70 O=CCCCCSCCOCCOCCO 62a_100000139335_100000032323 [0,2,0,0,0,0|2,0,0]=4 16342 B15R0.70 O=CCCCNCCCCCCCCCO 2230a_100000078944_200011292268 [0,2,0,0,0,0|0,0,0]=2 16343 B15R0.70 O=CCCCNCCCOCCOCCO 2230a_100011996194_200011292268 [0,2,0,0,0,0|2,0,0]=4 16344 B15R0.70 O=CCCCOCCCCCCCCCBr 7a_100009813782_200011292268 [0,2,0,0,0,0|0,0,0]=2 16345 B15R0.70 O=CCCCOCCCCCCCCCCl 7a_100009868337_200011292268 [0,2,0,0,0,0|0,0,0]=2 16346 B15R0.70 O=CCCCSCCCCCCCCCO 62a_100009813782_200011292268 [0,2,0,0,0,0|0,0,0]=2 16347 B15R0.70 O=CCCCSCCCCCCCCCO 62a_200011292268_100009813782 [0,2,0,0,0,0|0,0,0]=2 16348 B15R0.70 O=CCOCCCCCCCCCCCBr 34a_100009812471_200009817547 [0,2,0,0,0,0|0,0,0]=2 16349 B15R0.70 O=CCOCCCCCCCCCCCBr 7a_100009812471_200015260668 [0,2,0,0,0,0|0,0,0]=2 16350 B15R0.70 O=CCSCCCCCCCCCCCO 62a_100009812471_200015260668 [0,2,0,0,0,0|0,0,0]=2 16351 B15R0.70 OCCCCCCCCCCCCNCF 34a_100000066677_100015361967 [0,2,0,0,0,0|0,0,2]=4 16352 B15R0.70 OCCCCCCCCCCCCSCF 62a_100009813331_100015361967 [0,2,0,0,0,0|0,0,2]=4 16353 B15R0.70 OCCCCCCCCCCCNCCF 34a_100000724931_100009812471 [0,2,0,0,0,0|0,0,2]=4 16354 B15R0.70 OCCCCCCCCCCCNCCO 2230a_100016997473_100009812471 [0,2,0,0,0,0|0,0,2]=4 16355 B15R0.70 OCCCCCCCCCCCNCCO 34a_100016990907_100009812471 [0,2,0,0,0,0|0,0,2]=4 16356 B15R0.70 OCCCCCCCCCCCOCCBr 34a_100000211926_100009812471 [0,2,0,0,0,0|0,0,2]=4 16357 B15R0.70 OCCCCCCCCCCCSCCF 62a_100009812471_100011217306 [0,2,0,0,0,0|0,0,2]=4 16358 B15R0.70 OCCCCCCCCCCCSCCO 62a_100009812471_100000211926 [0,2,0,0,0,0|0,0,2]=4 16359 B15R0.70 OCCCCCCCCCCNCCCF 2230a_100000066964_100011934791 [0,2,0,0,0,0|0,0,2]=4 16360 B15R0.70 OCCCCCCCCCCNCCCF 2230a_100015189416_100009813290 [0,2,0,0,0,0|0,0,2]=4 16361 B15R0.70 OCCCCCCCCCCNCCCF 34a_100000066964_100011934791 [0,2,0,0,0,0|0,0,2]=4 16362 B15R0.70 OCCCCCCCCCCNCCCF 34a_100015189416_100009813290 [0,2,0,0,0,0|0,0,2]=4 16363 B15R0.70 OCCCCCCCCCCNCCCO 2230a_100000066964_100000230001 [0,2,0,0,0,0|0,0,2]=4 16364 B15R0.70 OCCCCCCCCCCNCCCO 34a_100000066964_100000230001 [0,2,0,0,0,0|0,0,2]=4 16365 B15R0.70 OCCCCCCCCCCOCCCBr 34a_100011217188_100009813290 [0,2,0,0,0,0|0,0,2]=4 16366 B15R0.70 OCCCCCCCCCCOCCCCl 34a_100000230001_100009813290 [0,2,0,0,0,0|0,0,2]=4 16367 B15R0.70 OCCCCCCCCCCOCCCF 34a_100000759539_100009813290 [0,2,0,0,0,0|0,0,2]=4 16368 B15R0.70 OCCCCCCCCCCSCCCF 62a_100009813290_100011934791 [0,2,0,0,0,0|0,0,2]=4 16369 B15R0.70 OCCCCCCCCCCSCCCF 62a_100011934791_200000033068 [0,2,0,0,0,0|0,0,2]=4 16370 B15R0.70 OCCCCCCCCCCSCCCO 62a_100009813290_100011215043 [0,2,0,0,0,0|0,0,2]=4 16371 B15R0.70 OCCCCCCCCCCSCCCO 62a_100011215043_200000033068 [0,2,0,0,0,0|0,0,2]=4 16372 B15R0.70 OCCCCCCCCCNCCCCF 2230a_100000078944_100000729493 [0,2,0,0,0,0|0,0,2]=4 16373 B15R0.70 OCCCCCCCCCNCCCCF 34a_100000078944_100000729493 [0,2,0,0,0,0|0,0,2]=4 16374 B15R0.70 OCCCCCCCCCNCCCCO 2230a_100000078944_100000210776 [0,2,0,0,0,0|0,0,2]=4 16375 B15R0.70 OCCCCCCCCCNCCCCO 2230a_100000750430_100009813782 [0,2,0,0,0,0|0,0,2]=4 16376 B15R0.70 OCCCCCCCCCNCCCCO 34a_100000078944_100011216708 [0,2,0,0,0,0|0,0,2]=4 16377 B15R0.70 OCCCCCCCCCNCCCCO 34a_100000750430_100009813782 [0,2,0,0,0,0|0,0,2]=4 16378 B15R0.70 OCCCCCCCCCOCCCCBr 34a_100011216708_100009813782 [0,2,0,0,0,0|0,0,2]=4 16379 B15R0.70 OCCCCCCCCCOCCCCCl 34a_100000210776_100009813782 [0,2,0,0,0,0|0,0,2]=4 16380 B15R0.70 OCCCCCCCCCOCCCCCl 7a_100000210776_100009813782 [0,2,0,0,0,0|0,0,2]=4 16381 B15R0.70 OCCCCCCCCCOCCCCF 34a_100011995726_100009813782 [0,2,0,0,0,0|0,0,2]=4 16382 B15R0.70 OCCCCCCCCCOCCCCF 7a_100011995726_100009813782 [0,2,0,0,0,0|0,0,2]=4 16383 B15R0.70 OCCCCCCCCCOCCCCI 34a_200012148704_100009813782 [0,2,0,0,0,0|0,0,2]=4 16384 B15R0.70 OCCCCCCCCCSCCCCF 62a_100000729493_100009813782 [0,2,0,0,0,0|0,0,2]=4 16385 B15R0.70 OCCCCCCCCCSCCCCF 62a_100009813782_100000729493 [0,2,0,0,0,0|0,0,2]=4 16386 B15R0.70 OCCCCCCCCCSCCCCO 62a_100000210776_100009813782 [0,2,0,0,0,0|0,0,2]=4 16387 B15R0.70 OCCCCCCCCCSCCCCO 62a_100009813782_100000210776 [0,2,0,0,0,0|0,0,2]=4 16388 B15R0.70 OCCCCCCCCNCCCCCF 2230a_102515433106_100000729378 [0,2,0,0,0,0|0,0,2]=4 16389 B15R0.70 OCCCCCCCCNCCCCCF 34a_102515433106_100000729378 [0,2,0,0,0,0|0,0,2]=4 16390 B15R0.70 OCCCCCCCCNCCCCCO 2230a_100000762737_100000033203 [0,2,0,0,0,0|0,0,2]=4 16391 B15R0.70 OCCCCCCCCNCCCCCO 2230a_102515433106_100000746330 [0,2,0,0,0,0|0,0,2]=4 16392 B15R0.70 OCCCCCCCCNCCCCCO 34a_100000762737_100000033203 [0,2,0,0,0,0|0,0,2]=4 16393 B15R0.70 OCCCCCCCCNCCCCCO 34a_102515433106_100000746330 [0,2,0,0,0,0|0,0,2]=4 16394 B15R0.70 OCCCCCCCCOCCCCCBr 34a_100000746331_100000033203 [0,2,0,0,0,0|0,0,2]=4 16395 B15R0.70 OCCCCCCCCOCCCCCBr 7a_100000746331_100000033203 [0,2,0,0,0,0|0,0,2]=4 16396 B15R0.70 OCCCCCCCCOCCCCCCl 34a_100000746330_100000033203 [0,2,0,0,0,0|0,0,2]=4 16397 B15R0.70 OCCCCCCCCOCCCCCCl 7a_100000746330_100000033203 [0,2,0,0,0,0|0,0,2]=4 16398 B15R0.70 OCCCCCCCCOCCCCCI 34a_200012148887_100000033203 [0,2,0,0,0,0|0,0,2]=4 16399 B15R0.70 OCCCCCCCCOCCCCCI 7a_200012148887_100000033203 [0,2,0,0,0,0|0,0,2]=4 16400 B15R0.70 OCCCCCCCCSCCCCCF 62a_100000033203_100000729378 [0,2,0,0,0,0|0,0,2]=4 16401 B15R0.70 OCCCCCCCCSCCCCCF 62a_100000729378_100000033203 [0,2,0,0,0,0|0,0,2]=4 16402 B15R0.70 OCCCCCCCCSCCCCCO 62a_100000033203_100000746330 [0,2,0,0,0,0|0,0,2]=4 16403 B15R0.70 OCCCCCCCCSCCCCCO 62a_100000746330_100000033203 [0,2,0,0,0,0|0,0,2]=4 16404 B15R0.70 OCCCCCCCNCCCCCCF 2230a_100011996573_100015922095 [0,2,0,0,0,0|0,0,2]=4 16405 B15R0.70 OCCCCCCCNCCCCCCF 34a_100011996573_100015922095 [0,2,0,0,0,0|0,0,2]=4 16406 B15R0.70 OCCCCCCCNCCCCCCO 2230a_100000686447_100000760002 [0,2,0,0,0,0|0,0,2]=4 16407 B15R0.70 OCCCCCCCNCCCCCCO 2230a_100011996573_100000766143 [0,2,0,0,0,0|0,0,2]=4 16408 B15R0.70 OCCCCCCCNCCCCCCO 34a_100000686447_100000760002 [0,2,0,0,0,0|0,0,2]=4 16409 B15R0.70 OCCCCCCCNCCCCCCO 34a_100011996573_100000766143 [0,2,0,0,0,0|0,0,2]=4 16410 B15R0.70 OCCCCCCCOCCCCCCBr 34a_100011215345_100000760002 [0,2,0,0,0,0|0,0,2]=4 16411 B15R0.70 OCCCCCCCOCCCCCCBr 7a_100011215345_100000760002 [0,2,0,0,0,0|0,0,2]=4 16412 B15R0.70 OCCCCCCCOCCCCCCCl 34a_100000766143_100000760002 [0,2,0,0,0,0|0,0,2]=4 16413 B15R0.70 OCCCCCCCOCCCCCCCl 7a_100000766143_100000760002 [0,2,0,0,0,0|0,0,2]=4 16414 B15R0.70 OCCCCCCCOCCCCCCF 34a_100000732779_100000760002 [0,2,0,0,0,0|0,0,2]=4 16415 B15R0.70 OCCCCCCCOCCCCCCF 7a_100000732779_100000760002 [0,2,0,0,0,0|0,0,2]=4 16416 B15R0.70 OCCCCCCCSCCCCCCF 62a_100000760002_100015922095 [0,2,0,0,0,0|0,0,2]=4 16417 B15R0.70 OCCCCCCCSCCCCCCF 62a_100015922095_100000760002 [0,2,0,0,0,0|0,0,2]=4 16418 B15R0.70 OCCCCCCCSCCCCCCO 62a_100000760002_100000766143 [0,2,0,0,0,0|0,0,2]=4 16419 B15R0.70 OCCCCCCCSCCCCCCO 62a_100000766143_100000760002 [0,2,0,0,0,0|0,0,2]=4 16420 B15R0.70 OCCCCCCOCCCCCCCBr 34a_100000760002_100000766143 [0,2,0,0,0,0|0,0,2]=4 16421 B15R0.70 OCCCCCCOCCCCCCCBr 7a_100000760002_100000766143 [0,2,0,0,0,0|0,0,2]=4 16422 B15R0.70 OCCCCCOCCCCCCCCBr 34a_100009813846_100000746330 [0,2,0,0,0,0|0,0,2]=4 16423 B15R0.70 OCCCCCOCCCCCCCCBr 7a_100009813846_100000746330 [0,2,0,0,0,0|0,0,2]=4 16424 B15R0.70 OCCCCCOCCCCCCCCCl 34a_100000033203_100000746330 [0,2,0,0,0,0|0,0,2]=4 16425 B15R0.70 OCCCCCOCCCCCCCCCl 7a_100000033203_100000746330 [0,2,0,0,0,0|0,0,2]=4 16426 B15R0.70 OCCCCOCCCCCCCCCBr 34a_100009813782_100011216708 [0,2,0,0,0,0|0,0,2]=4 16427 B15R0.70 OCCCCOCCCCCCCCCBr 7a_100009813782_100000210776 [0,2,0,0,0,0|0,0,2]=4 16428 B15R0.70 OCCCCOCCCCCCCCCCl 34a_100009868337_100011216708 [0,2,0,0,0,0|0,0,2]=4 16429 B15R0.70 OCCCCOCCCCCCCCCCl 7a_100009868337_100000210776 [0,2,0,0,0,0|0,0,2]=4 16430 B15R0.70 OCCCOCCCCCCCCCCBr 34a_100009813290_100000230001 [0,2,0,0,0,0|0,0,2]=4 16431 B15R0.70 OCCCOCCCCCCCCCCBr 7a_100009813290_100011215043 [0,2,0,0,0,0|0,0,2]=4 16432 B15R0.70 OCCCOCCCCCCCCCCCl 34a_200000033068_100000230001 [0,2,0,0,0,0|0,0,2]=4 16433 B15R0.70 OCCCOCCCCCCCCCCCl 7a_200000033068_100011215043 [0,2,0,0,0,0|0,0,2]=4 16434 B15R0.70 OCCOCCCCCCCCCCCBr 34a_100009812471_100000211926 [0,2,0,0,0,0|0,0,2]=4 16435 B15R0.70 OCCOCCCCCCCCCCCBr 7a_100009812471_100000211926 [0,2,0,0,0,0|0,0,2]=4 16436 B15R0.70 [13CH3]OCCCCCCCCCCCCCBr 34a_100009812470_200025704644 [0,2,0,0,0,0|0,0,2]=4 16437 B15R0.70 [13CH3]OCCCCCCCCCCCCCBr 7a_100009812470_200025704644 [0,2,0,0,0,0|0,0,2]=4 16438 B15R0.70 [13CH3]SCCCCCCCCCCCCCO 62a_100009812470_200025704644 [0,2,0,0,0,0|0,0,2]=4 16439 B15R0.70 [N-]=[N+]=NCCCCCCNCCCCC=O 2230a_200000049180_100000139335 [0,2,0,0,0,0|2,0,0]=4 16440 B15R0.164 C#CCCCCCCCCCCOC(C)C 34a_100000054667_100000210206 [0,2,0,0,0,0|1,0,1]=4 16441 B15R0.164 C#CCCCCCCCCCCOC(C)C 7a_100000054667_100000210206 [0,2,0,0,0,0|1,0,1]=4 16442 B15R0.164 C#CCCCCCCCCCOCC(=O)N 34a_100000034437_100000187820 [0,2,0,0,0,0|0,0,2]=4 16443 B15R0.164 C#CCCCCCCCCCOCC(=O)N 7a_100000034437_100000187820 [0,2,0,0,0,0|0,0,2]=4 16444 B15R0.164 C#CCCCCCCCCCOCC(=O)[O-] 34a_100000034437_100020667443 [0,2,0,0,0,0|0,0,2]=4 16445 B15R0.164 C#CCCCCCCCCCOCC(C)C 34a_100000034437_100000210624 [0,2,0,0,0,0|1,0,1]=4 16446 B15R0.164 C#CCCCCCCCCCOCC(C)C 7a_100000034437_100000210760 [0,2,0,0,0,0|1,0,1]=4 16447 B15R0.164 C#CCCCCCCCCCOCC(C)O 34a_100000034437_100011218427 [0,2,0,0,0,0|1,0,1]=4 16448 B15R0.164 C#CCCCCCCCCCOCC(C)O 7a_100000034437_100011218427 [0,2,0,0,0,0|1,0,1]=4 16449 B15R0.164 C#CCCCCCCCCCOC[C@@H](C)O 34a_100000034437_100009817552 [0,2,0,0,0,0|1,0,1]=4 16450 B15R0.164 C#CCCCCCCCCCOC[C@@H](C)O 7a_100000034437_100009817552 [0,2,0,0,0,0|1,0,1]=4 16451 B15R0.164 C#CCCCCCCCCOCCC(=O)C 7a_100000065265_100000053229 [0,2,0,0,0,0|0,0,2]=4 16452 B15R0.164 C#CCCCCCCCCOCCC(=O)N 34a_100000065265_100000731001 [0,2,0,0,0,0|0,0,2]=4 16453 B15R0.164 C#CCCCCCCCCOCCC(=O)N 7a_100000065265_100000744528 [0,2,0,0,0,0|0,0,2]=4 16454 B15R0.164 C#CCCCCCCCCOCCC(C)C 34a_100000065265_100000210312 [0,2,0,0,0,0|1,0,1]=4 16455 B15R0.164 C#CCCCCCCCCOCCC(C)C 7a_100000065265_100000210626 [0,2,0,0,0,0|1,0,1]=4 16456 B15R0.164 C#CCCCCCCCCOCCC(C)O 34a_100000065265_100012276601 [0,2,0,0,0,0|1,0,1]=4 16457 B15R0.164 C#CCCCCCCCCOCCC(C)O 7a_100000065265_100012276601 [0,2,0,0,0,0|1,0,1]=4 16458 B15R0.164 C#CCCCCCCCNCCCC(=O)N 34a_100000739312_100153394163 [0,2,0,0,0,0|0,0,2]=4 16459 B15R0.164 C#CCCCCCCCNCCCC(C)C 2230a_200000737386_100153394163 [0,2,0,0,0,0|1,0,1]=4 16460 B15R0.164 C#CCCCCCCCNCCCC(C)C 34a_200000737386_100153394163 [0,2,0,0,0,0|1,0,1]=4 16461 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000054614_100000685027 [0,2,0,0,0,0|0,0,2]=4 16462 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000759063_100153394163 [0,2,0,0,0,0|0,0,2]=4 16463 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000054614_100011215641 [0,2,0,0,0,0|0,0,2]=4 16464 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000759063_100153394163 [0,2,0,0,0,0|0,0,2]=4 16465 B15R0.164 C#CCCCCCCCOCCCC(=O)N 34a_100000054614_100102525003 [0,2,0,0,0,0|0,0,2]=4 16466 B15R0.164 C#CCCCCCCCOCCCC(=O)N 7a_100000054614_100102525003 [0,2,0,0,0,0|0,0,2]=4 16467 B15R0.164 C#CCCCCCCCOCCCC(C)C 34a_100000054614_100011214892 [0,2,0,0,0,0|1,0,1]=4 16468 B15R0.164 C#CCCCCCCCOCCCC(C)C 34a_100000210774_100153394163 [0,2,0,0,0,0|1,0,1]=4 16469 B15R0.164 C#CCCCCCCCOCCCC(C)C 7a_100000054614_100011214892 [0,2,0,0,0,0|1,0,1]=4 16470 B15R0.164 C#CCCCCCCCOCCCC(C)C 7a_100000210774_100153394163 [0,2,0,0,0,0|1,0,1]=4 16471 B15R0.164 C#CCCCCCCCOCCCC(C)O 34a_100000054614_200000718107 [0,2,0,0,0,0|1,0,1]=4 16472 B15R0.164 C#CCCCCCCCOCCCC(C)O 7a_100000054614_200000718107 [0,2,0,0,0,0|1,0,1]=4 16473 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100011215641_100153394163 [0,2,0,0,0,0|0,0,2]=4 16474 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100153394163_100011215641 [0,2,0,0,0,0|0,0,2]=4 16475 B15R0.164 C#CCCCCCCCSCCCC(=O)N 62a_100102525003_100153394163 [0,2,0,0,0,0|0,0,2]=4 16476 B15R0.164 C#CCCCCCCCSCCCC(=O)N 62a_100153394163_100102525003 [0,2,0,0,0,0|0,0,2]=4 16477 B15R0.164 C#CCCCCCCCSCCCC(C)C 62a_100011214892_100153394163 [0,2,0,0,0,0|1,0,1]=4 16478 B15R0.164 C#CCCCCCCCSCCCC(C)C 62a_100153394163_100011214892 [0,2,0,0,0,0|1,0,1]=4 16479 B15R0.164 C#CCCCCCCCSCCCC(C)O 62a_100153394163_200000718107 [0,2,0,0,0,0|1,0,1]=4 16480 B15R0.164 C#CCCCCCCCSCCCC(C)O 62a_200000718107_100153394163 [0,2,0,0,0,0|1,0,1]=4 16481 B15R0.164 C#CCCCCCCNCCCCC(=O)N 34a_100000696515_100012276617 [0,2,0,0,0,0|0,0,2]=4 16482 B15R0.164 C#CCCCCCCOCCCCC(=O)C 34a_100011217361_100009817362 [0,2,0,0,0,0|0,0,2]=4 16483 B15R0.164 C#CCCCCCCOCCCCC(=O)C 7a_100011217361_100000735457 [0,2,0,0,0,0|0,0,2]=4 16484 B15R0.164 C#CCCCCCCOCCCCC(=O)N 34a_100012022536_100012276617 [0,2,0,0,0,0|0,0,2]=4 16485 B15R0.164 C#CCCCCCCOCCCCC(=O)N 7a_100012022536_100012276617 [0,2,0,0,0,0|0,0,2]=4 16486 B15R0.164 C#CCCCCCCOCCCCC(C)C 34a_100011214890_100012276617 [0,2,0,0,0,0|1,0,1]=4 16487 B15R0.164 C#CCCCCCCOCCCCC(C)C 34a_100011217361_100011216152 [0,2,0,0,0,0|1,0,1]=4 16488 B15R0.164 C#CCCCCCCOCCCCC(C)C 7a_100011214890_100012276617 [0,2,0,0,0,0|1,0,1]=4 16489 B15R0.164 C#CCCCCCCOCCCCC(C)C 7a_100011217361_100011216152 [0,2,0,0,0,0|1,0,1]=4 16490 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100000735457_100012276617 [0,2,0,0,0,0|0,0,2]=4 16491 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100012276617_100000735457 [0,2,0,0,0,0|0,0,2]=4 16492 B15R0.164 C#CCCCCCCSCCCCC(C)C 62a_100011216152_100012276617 [0,2,0,0,0,0|1,0,1]=4 16493 B15R0.164 C#CCCCCCCSCCCCC(C)C 62a_100012276617_100011216152 [0,2,0,0,0,0|1,0,1]=4 16494 B15R0.164 C#CCCCCCNCCCCCC(C)C 2230a_100011290863_100012094781 [0,2,0,0,0,0|1,0,1]=4 16495 B15R0.164 C#CCCCCCNCCCCCC(C)C 34a_100011290863_100012094781 [0,2,0,0,0,0|1,0,1]=4 16496 B15R0.164 C#CCCCCCOCCCCCC(=O)N 34a_100000123541_100012094781 [0,2,0,0,0,0|0,0,2]=4 16497 B15R0.164 C#CCCCCCOCCCCCC(=O)N 34a_100000766912_100009817443 [0,2,0,0,0,0|0,0,2]=4 16498 B15R0.164 C#CCCCCCOCCCCCC(=O)N 7a_100000123541_100012094781 [0,2,0,0,0,0|0,0,2]=4 16499 B15R0.164 C#CCCCCCOCCCCCC(=O)N 7a_100000766912_100009817443 [0,2,0,0,0,0|0,0,2]=4 16500 B15R0.164 C#CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012094781 [0,2,0,0,0,0|0,0,2]=4 16501 B15R0.164 C#CCCCCCOCCCCCC(C)C 34a_100000766912_100000210682 [0,2,0,0,0,0|1,0,1]=4 16502 B15R0.164 C#CCCCCCOCCCCCC(C)C 34a_100011995859_100012094781 [0,2,0,0,0,0|1,0,1]=4 16503 B15R0.164 C#CCCCCCOCCCCCC(C)C 7a_100000766912_100000210682 [0,2,0,0,0,0|1,0,1]=4 16504 B15R0.164 C#CCCCCCOCCCCCC(C)C 7a_100011995859_100012094781 [0,2,0,0,0,0|1,0,1]=4 16505 B15R0.164 C#CCCCCCSCCCCCC(=O)N 62a_100009817443_100012094781 [0,2,0,0,0,0|0,0,2]=4 16506 B15R0.164 C#CCCCCCSCCCCCC(=O)N 62a_100012094781_100009817443 [0,2,0,0,0,0|0,0,2]=4 16507 B15R0.164 C#CCCCCCSCCCCCC(C)C 62a_100000210682_100012094781 [0,2,0,0,0,0|1,0,1]=4 16508 B15R0.164 C#CCCCCCSCCCCCC(C)C 62a_100012094781_100000210682 [0,2,0,0,0,0|1,0,1]=4 16509 B15R0.164 C#CCCCCNCCCCCCC(C)C 2230a_100000211014_100010269958 [0,2,0,0,0,0|1,0,1]=4 16510 B15R0.164 C#CCCCCNCCCCCCC(C)C 34a_100000211014_100010269958 [0,2,0,0,0,0|1,0,1]=4 16511 B15R0.164 C#CCCCOCCCCCCCC(C)C 34a_200000210741_100000695029 [0,2,0,0,0,0|1,0,1]=4 16512 B15R0.164 C#CCCCOCCCCCCCC(C)C 7a_200000210741_100011215417 [0,2,0,0,0,0|1,0,1]=4 16513 B15R0.164 C=C(Br)CCOCCCCCCCCCC 34a_100009813270_100000210320 [0,2,0,0,0,0|1,0,0]=3 16514 B15R0.164 C=C(Br)CCOCCCCCCCCCO 34a_100009813270_100009813782 [0,2,0,0,0,0|2,0,0]=4 16515 B15R0.164 C=C(C)CCNCCCCCCCCCC 2230a_100000684558_100000730704 [0,2,0,0,0,0|1,0,0]=3 16516 B15R0.164 C=C(C)CCNCCCCCCCCCC 34a_100000684558_100000730704 [0,2,0,0,0,0|1,0,0]=3 16517 B15R0.164 C=C(C)CCNCCCCCCCCCO 2230a_100000078944_100000730704 [0,2,0,0,0,0|2,0,0]=4 16518 B15R0.164 C=C(C)CCNCCCCCCCCCO 34a_100000078944_100000730704 [0,2,0,0,0,0|2,0,0]=4 16519 B15R0.164 C=C(C)CCOCCCCCCCCCBr 34a_100009813782_100000730704 [0,2,0,0,0,0|2,0,0]=4 16520 B15R0.164 C=C(C)CCOCCCCCCCCCBr 7a_100009813782_100000730704 [0,2,0,0,0,0|2,0,0]=4 16521 B15R0.164 C=C(C)CCOCCCCCCCCCC 34a_100000210711_100000730704 [0,2,0,0,0,0|1,0,0]=3 16522 B15R0.164 C=C(C)CCOCCCCCCCCCC 34a_100000764851_100000210320 [0,2,0,0,0,0|1,0,0]=3 16523 B15R0.164 C=C(C)CCOCCCCCCCCCC 7a_100000210711_100000730704 [0,2,0,0,0,0|1,0,0]=3 16524 B15R0.164 C=C(C)CCOCCCCCCCCCCl 34a_100009868337_100000730704 [0,2,0,0,0,0|2,0,0]=4 16525 B15R0.164 C=C(C)CCOCCCCCCCCCCl 7a_100009868337_100000730704 [0,2,0,0,0,0|2,0,0]=4 16526 B15R0.164 C=C(C)CCOCCCCCCCCCN 34a_100000078944_100000730704 [0,2,0,0,0,0|2,0,0]=4 16527 B15R0.164 C=C(C)CCOCCCCCCCCCO 34a_100000764851_100009813782 [0,2,0,0,0,0|2,0,0]=4 16528 B15R0.164 C=C(C)CCSCCCCCCCCCC 62a_100000730704_100000210320 [0,2,0,0,0,0|1,0,0]=3 16529 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100000730704_100009813782 [0,2,0,0,0,0|2,0,0]=4 16530 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100009813782_100000730704 [0,2,0,0,0,0|2,0,0]=4 16531 B15R0.164 C=C(C)CNCCCCCCCCCCC 2230a_200011215754_100000748629 [0,2,0,0,0,0|1,0,0]=3 16532 B15R0.164 C=C(C)CNCCCCCCCCCCC 34a_200011215754_100000748629 [0,2,0,0,0,0|1,0,0]=3 16533 B15R0.164 C=C(C)CNCCCCCCCCCCO 2230a_100000066964_100000748629 [0,2,0,0,0,0|2,0,0]=4 16534 B15R0.164 C=C(C)CNCCCCCCCCCCO 34a_100000066964_100000748629 [0,2,0,0,0,0|2,0,0]=4 16535 B15R0.164 C=C(C)COCCCCCCCCCCBr 34a_100009813290_100000748629 [0,2,0,0,0,0|2,0,0]=4 16536 B15R0.164 C=C(C)COCCCCCCCCCCBr 7a_100009813290_100000748629 [0,2,0,0,0,0|2,0,0]=4 16537 B15R0.164 C=C(C)COCCCCCCCCCCC 34a_100000210245_100011215454 [0,2,0,0,0,0|1,0,0]=3 16538 B15R0.164 C=C(C)COCCCCCCCCCCC 34a_100000210809_100000748629 [0,2,0,0,0,0|1,0,0]=3 16539 B15R0.164 C=C(C)COCCCCCCCCCCC 7a_100000210809_100000748629 [0,2,0,0,0,0|1,0,0]=3 16540 B15R0.164 C=C(C)COCCCCCCCCCCCl 34a_200000033068_100000748629 [0,2,0,0,0,0|2,0,0]=4 16541 B15R0.164 C=C(C)COCCCCCCCCCCCl 7a_200000033068_100000748629 [0,2,0,0,0,0|2,0,0]=4 16542 B15R0.164 C=C(C)COCCCCCCCCCCN 34a_100000066964_100000748629 [0,2,0,0,0,0|2,0,0]=4 16543 B15R0.164 C=C(C)COCCCCCCCCCCO 34a_100000210245_100009813290 [0,2,0,0,0,0|2,0,0]=4 16544 B15R0.164 C=C(C)CSCCCCCCCCCCC 62a_100000748629_100011215454 [0,2,0,0,0,0|1,0,0]=3 16545 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100000748629_200000033068 [0,2,0,0,0,0|2,0,0]=4 16546 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100009813290_100000211660 [0,2,0,0,0,0|2,0,0]=4 16547 B15R0.164 C=C(F)CNCCCCCCCCCCC 2230a_200011215754_100009893438 [0,2,0,0,0,0|1,0,0]=3 16548 B15R0.164 C=C(F)CNCCCCCCCCCCC 34a_200011215754_100009893438 [0,2,0,0,0,0|1,0,0]=3 16549 B15R0.164 C=C(F)CNCCCCCCCCCCO 2230a_100000066964_100009893438 [0,2,0,0,0,0|2,0,0]=4 16550 B15R0.164 C=C(F)CNCCCCCCCCCCO 34a_100000066964_100009893438 [0,2,0,0,0,0|2,0,0]=4 16551 B15R0.164 C=C(F)COCCCCCCCCCCBr 34a_100009813290_100009893438 [0,2,0,0,0,0|2,0,0]=4 16552 B15R0.164 C=C(F)COCCCCCCCCCCBr 7a_100009813290_100000042424 [0,2,0,0,0,0|2,0,0]=4 16553 B15R0.164 C=C(F)COCCCCCCCCCCC 34a_100000210809_100009893438 [0,2,0,0,0,0|1,0,0]=3 16554 B15R0.164 C=C(F)COCCCCCCCCCCC 34a_200010262243_100011215454 [0,2,0,0,0,0|1,0,0]=3 16555 B15R0.164 C=C(F)COCCCCCCCCCCC 7a_100000210809_100000042424 [0,2,0,0,0,0|1,0,0]=3 16556 B15R0.164 C=C(F)COCCCCCCCCCCCl 34a_200000033068_100009893438 [0,2,0,0,0,0|2,0,0]=4 16557 B15R0.164 C=C(F)COCCCCCCCCCCCl 7a_200000033068_100000042424 [0,2,0,0,0,0|2,0,0]=4 16558 B15R0.164 C=C(F)COCCCCCCCCCCN 34a_100000066964_100009893438 [0,2,0,0,0,0|2,0,0]=4 16559 B15R0.164 C=C(F)COCCCCCCCCCCO 34a_200010262243_100009813290 [0,2,0,0,0,0|2,0,0]=4 16560 B15R0.164 C=C(F)CSCCCCCCCCCCC 62a_100000042424_100011215454 [0,2,0,0,0,0|1,0,0]=3 16561 B15R0.164 C=C(F)CSCCCCCCCCCCO 62a_100000042424_200000033068 [0,2,0,0,0,0|2,0,0]=4 16562 B15R0.164 C=C(F)CSCCCCCCCCCCO 62a_100009813290_100000042424 [0,2,0,0,0,0|2,0,0]=4 16563 B15R0.164 C=CCCCCCCCCCCCC(=O)C 1458a_100000070787_102130925996 [0,2,0,0,0,0|0,0,1]=3 16564 B15R0.164 C=CCCCCCCCCCCCN(C)C 2230a_100102631434_102130925996 [0,2,0,0,0,0|1,0,0]=3 16565 B15R0.164 C=CCCCCCCCCCCCN(C)C 269982a_100102631434_102130925996 [0,2,0,0,0,0|1,0,0]=3 16566 B15R0.164 C=CCCCCCCCCCCNC(C)C 2230a_100138425928_100011093070 [0,2,0,0,0,0|1,0,0]=3 16567 B15R0.164 C=CCCCCCCCCCCNC(C)C 34a_100138425928_100011093070 [0,2,0,0,0,0|1,0,0]=3 16568 B15R0.164 C=CCCCCCCCCCCOC(C)C 34a_100000212225_100011093070 [0,2,0,0,0,0|1,0,0]=3 16569 B15R0.164 C=CCCCCCCCCCCSC(C)C 62a_100000210206_100011093070 [0,2,0,0,0,0|1,0,0]=3 16570 B15R0.164 C=CCCCCCCCCCCSC(C)C 62a_100011093070_100000210206 [0,2,0,0,0,0|1,0,0]=3 16571 B15R0.164 C=CCCCCCCCCCNCC(=C)C 2230a_100000081888_100000748629 [0,2,0,0,0,0|1,0,1]=4 16572 B15R0.164 C=CCCCCCCCCCNCC(=C)C 34a_100000081888_100000748629 [0,2,0,0,0,0|1,0,1]=4 16573 B15R0.164 C=CCCCCCCCCCNCC(=O)N 2230a_100000081888_100000747473 [0,2,0,0,0,0|0,0,2]=4 16574 B15R0.164 C=CCCCCCCCCCNCC(=O)N 2230a_100000711301_100009814027 [0,2,0,0,0,0|0,0,2]=4 16575 B15R0.164 C=CCCCCCCCCCNCC(=O)N 34a_100000081888_100000187820 [0,2,0,0,0,0|0,0,2]=4 16576 B15R0.164 C=CCCCCCCCCCNCC(=O)O 269956a_100016091260_100009814027 [0,2,0,0,0,0|0,0,2]=4 16577 B15R0.164 C=CCCCCCCCCCNCC(=O)[O-] 34a_100000081888_100020667443 [0,2,0,0,0,0|0,0,2]=4 16578 B15R0.164 C=CCCCCCCCCCNCC(C)C 2230a_100000081888_100000210760 [0,2,0,0,0,0|1,0,0]=3 16579 B15R0.164 C=CCCCCCCCCCNCC(C)C 2230a_100000210953_100009814027 [0,2,0,0,0,0|1,0,0]=3 16580 B15R0.164 C=CCCCCCCCCCNCC(C)C 270004a_100000081888_100000210432 [0,2,0,0,0,0|1,0,0]=3 16581 B15R0.164 C=CCCCCCCCCCNCC(C)C 34a_100000081888_100000210624 [0,2,0,0,0,0|1,0,0]=3 16582 B15R0.164 C=CCCCCCCCCCNCC(C)C 34a_100000210953_100009814027 [0,2,0,0,0,0|1,0,0]=3 16583 B15R0.164 C=CCCCCCCCCCNCC(C)O 2230a_100000081888_100011218427 [0,2,0,0,0,0|1,0,0]=3 16584 B15R0.164 C=CCCCCCCCCCNCC(C)O 2230a_100000210904_100009814027 [0,2,0,0,0,0|1,0,0]=3 16585 B15R0.164 C=CCCCCCCCCCNCC(C)O 34a_100000081888_100011218427 [0,2,0,0,0,0|1,0,0]=3 16586 B15R0.164 C=CCCCCCCCCCNCC(C)O 34a_100000210904_100009814027 [0,2,0,0,0,0|1,0,0]=3 16587 B15R0.164 C=CCCCCCCCCCNCC(F)F 2230a_100000081888_100011934356 [0,2,0,0,0,0|2,0,0]=4 16588 B15R0.164 C=CCCCCCCCCCNCC(F)F 34a_100000081888_100011934356 [0,2,0,0,0,0|2,0,0]=4 16589 B15R0.164 C=CCCCCCCCCCNCC(F)F 34a_100000765723_100009814027 [0,2,0,0,0,0|2,0,0]=4 16590 B15R0.164 C=CCCCCCCCCCNC[C@@H](C)O 2230a_100000081888_100009817552 [0,2,0,0,0,0|1,0,0]=3 16591 B15R0.164 C=CCCCCCCCCCNC[C@@H](C)O 34a_100000081888_100009817552 [0,2,0,0,0,0|1,0,0]=3 16592 B15R0.164 C=CCCCCCCCCCOCC(=C)C 34a_100000038209_100000748629 [0,2,0,0,0,0|1,0,1]=4 16593 B15R0.164 C=CCCCCCCCCCOCC(=C)C 34a_100000210245_100009814027 [0,2,0,0,0,0|1,0,1]=4 16594 B15R0.164 C=CCCCCCCCCCOCC(=C)C 7a_100000038209_100000748629 [0,2,0,0,0,0|1,0,1]=4 16595 B15R0.164 C=CCCCCCCCCCOCC(=O)C 34a_100000211253_100009814027 [0,2,0,0,0,0|0,0,2]=4 16596 B15R0.164 C=CCCCCCCCCCOCC(=O)N 34a_100000038209_100000187820 [0,2,0,0,0,0|0,0,2]=4 16597 B15R0.164 C=CCCCCCCCCCOCC(=O)N 7a_100000038209_100000187820 [0,2,0,0,0,0|0,0,2]=4 16598 B15R0.164 C=CCCCCCCCCCOCC(=O)[O-] 34a_100000038209_100020667443 [0,2,0,0,0,0|0,0,2]=4 16599 B15R0.164 C=CCCCCCCCCCOCC(C)Br 34a_100012180447_100009814027 [0,2,0,0,0,0|1,0,0]=3 16600 B15R0.164 C=CCCCCCCCCCOCC(C)C 34a_100000038209_100000210624 [0,2,0,0,0,0|1,0,0]=3 16601 B15R0.164 C=CCCCCCCCCCOCC(C)C 34a_100000210257_100009814027 [0,2,0,0,0,0|1,0,0]=3 16602 B15R0.164 C=CCCCCCCCCCOCC(C)C 7a_100000038209_100000210760 [0,2,0,0,0,0|1,0,0]=3 16603 B15R0.164 C=CCCCCCCCCCOCC(C)F 34a_100015925927_100009814027 [0,2,0,0,0,0|1,0,0]=3 16604 B15R0.164 C=CCCCCCCCCCOCC(C)O 34a_100000038209_100011218427 [0,2,0,0,0,0|1,0,0]=3 16605 B15R0.164 C=CCCCCCCCCCOCC(C)O 7a_100000038209_100011218427 [0,2,0,0,0,0|1,0,0]=3 16606 B15R0.164 C=CCCCCCCCCCOCC(F)F 34a_100000038209_100011934356 [0,2,0,0,0,0|2,0,0]=4 16607 B15R0.164 C=CCCCCCCCCCOCC(F)F 34a_100000743014_100009814027 [0,2,0,0,0,0|2,0,0]=4 16608 B15R0.164 C=CCCCCCCCCCOCC(F)F 7a_100000038209_100011934356 [0,2,0,0,0,0|2,0,0]=4 16609 B15R0.164 C=CCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100009814027 [0,2,0,0,0,0|1,0,0]=3 16610 B15R0.164 C=CCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100009814027 [0,2,0,0,0,0|1,0,0]=3 16611 B15R0.164 C=CCCCCCCCCCOC[C@@H](C)O 34a_100000038209_100009817552 [0,2,0,0,0,0|1,0,0]=3 16612 B15R0.164 C=CCCCCCCCCCOC[C@@H](C)O 7a_100000038209_100009817552 [0,2,0,0,0,0|1,0,0]=3 16613 B15R0.164 C=CCCCCCCCCCSCC(=C)C 62a_100000748629_100009814027 [0,2,0,0,0,0|1,0,1]=4 16614 B15R0.164 C=CCCCCCCCCCSCC(=C)C 62a_100009814027_100000211660 [0,2,0,0,0,0|1,0,1]=4 16615 B15R0.164 C=CCCCCCCCCCSCC(=O)N 62a_100000747473_100009814027 [0,2,0,0,0,0|0,0,2]=4 16616 B15R0.164 C=CCCCCCCCCCSCC(=O)N 62a_100009814027_100000747473 [0,2,0,0,0,0|0,0,2]=4 16617 B15R0.164 C=CCCCCCCCCCSCC(=O)[O-] 62a_100009814027_100020667443 [0,2,0,0,0,0|0,0,2]=4 16618 B15R0.164 C=CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100009814027 [0,2,0,0,0,0|0,0,2]=4 16619 B15R0.164 C=CCCCCCCCCCSCC(C)C 62a_100000210624_100009814027 [0,2,0,0,0,0|1,0,0]=3 16620 B15R0.164 C=CCCCCCCCCCSCC(C)C 62a_100009814027_100000210760 [0,2,0,0,0,0|1,0,0]=3 16621 B15R0.164 C=CCCCCCCCCCSCC(C)O 62a_100009814027_100011218427 [0,2,0,0,0,0|1,0,0]=3 16622 B15R0.164 C=CCCCCCCCCCSCC(C)O 62a_100011218427_100009814027 [0,2,0,0,0,0|1,0,0]=3 16623 B15R0.164 C=CCCCCCCCCCSCC(F)F 62a_100009814027_100011934356 [0,2,0,0,0,0|2,0,0]=4 16624 B15R0.164 C=CCCCCCCCCCSCC(F)F 62a_100011934356_100009814027 [0,2,0,0,0,0|2,0,0]=4 16625 B15R0.164 C=CCCCCCCCCCSC[C@@H](C)O 62a_100009814027_100009817552 [0,2,0,0,0,0|1,0,0]=3 16626 B15R0.164 C=CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100009814027 [0,2,0,0,0,0|1,0,0]=3 16627 B15R0.164 C=CCCCCCCCCNCCC(C)O 2230a_200000755665_100011933949 [0,2,0,0,0,0|1,0,0]=3 16628 B15R0.164 C=CCCCCCCCCOCCC(=C)C 34a_100000764851_100011933949 [0,2,0,0,0,0|1,0,1]=4 16629 B15R0.164 C=CCCCCCCCCOCCC(=C)C 34a_100011215194_100000730704 [0,2,0,0,0,0|1,0,1]=4 16630 B15R0.164 C=CCCCCCCCCOCCC(=C)C 7a_100011215194_100000730704 [0,2,0,0,0,0|1,0,1]=4 16631 B15R0.164 C=CCCCCCCCCOCCC(=O)C 34a_100000759926_100011933949 [0,2,0,0,0,0|0,0,2]=4 16632 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100000759926_100011933949 [0,2,0,0,0,0|0,0,2]=4 16633 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100011215194_100000053229 [0,2,0,0,0,0|0,0,2]=4 16634 B15R0.164 C=CCCCCCCCCOCCC(=O)N 34a_100000757172_100011933949 [0,2,0,0,0,0|0,0,2]=4 16635 B15R0.164 C=CCCCCCCCCOCCC(=O)N 34a_100011215194_100000731001 [0,2,0,0,0,0|0,0,2]=4 16636 B15R0.164 C=CCCCCCCCCOCCC(=O)N 7a_100000757172_100011933949 [0,2,0,0,0,0|0,0,2]=4 16637 B15R0.164 C=CCCCCCCCCOCCC(=O)N 7a_100011215194_100000744528 [0,2,0,0,0,0|0,0,2]=4 16638 B15R0.164 C=CCCCCCCCCOCCC(C)Br 34a_100009893172_100011933949 [0,2,0,0,0,0|1,0,0]=3 16639 B15R0.164 C=CCCCCCCCCOCCC(C)C 34a_100000210254_100011933949 [0,2,0,0,0,0|1,0,0]=3 16640 B15R0.164 C=CCCCCCCCCOCCC(C)C 34a_100011215194_100000210312 [0,2,0,0,0,0|1,0,0]=3 16641 B15R0.164 C=CCCCCCCCCOCCC(C)C 7a_100000210254_100011933949 [0,2,0,0,0,0|1,0,0]=3 16642 B15R0.164 C=CCCCCCCCCOCCC(C)C 7a_100011215194_100000210626 [0,2,0,0,0,0|1,0,0]=3 16643 B15R0.164 C=CCCCCCCCCOCCC(C)O 34a_100011215194_100012276601 [0,2,0,0,0,0|1,0,0]=3 16644 B15R0.164 C=CCCCCCCCCOCCC(C)O 7a_100011215194_100012276601 [0,2,0,0,0,0|1,0,0]=3 16645 B15R0.164 C=CCCCCCCCCOCCC(F)F 34a_100103093639_100011933949 [0,2,0,0,0,0|2,0,0]=4 16646 B15R0.164 C=CCCCCCCCCOCCN(C)C 7a_100011215194_100000755713 [0,2,0,0,0,0|2,0,0]=4 16647 B15R0.164 C=CCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100011933949 [0,2,0,0,0,0|1,0,0]=3 16648 B15R0.164 C=CCCCCCCCCOCOC(C)C 34a_100011215194_100000709892 [0,2,0,0,0,0|2,0,0]=4 16649 B15R0.164 C=CCCCCCCCCSCCC(=C)C 62a_100000730704_100011933949 [0,2,0,0,0,0|1,0,1]=4 16650 B15R0.164 C=CCCCCCCCCSCCC(=C)C 62a_100011933949_100000730704 [0,2,0,0,0,0|1,0,1]=4 16651 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100000053229_100011933949 [0,2,0,0,0,0|0,0,2]=4 16652 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100011933949_100000053229 [0,2,0,0,0,0|0,0,2]=4 16653 B15R0.164 C=CCCCCCCCCSCCC(=O)N 62a_100000744528_100011933949 [0,2,0,0,0,0|0,0,2]=4 16654 B15R0.164 C=CCCCCCCCCSCCC(=O)N 62a_100011933949_100000744528 [0,2,0,0,0,0|0,0,2]=4 16655 B15R0.164 C=CCCCCCCCCSCCC(C)C 62a_100000210312_100011933949 [0,2,0,0,0,0|1,0,0]=3 16656 B15R0.164 C=CCCCCCCCCSCCC(C)C 62a_100011933949_100000210312 [0,2,0,0,0,0|1,0,0]=3 16657 B15R0.164 C=CCCCCCCCCSCCC(C)O 62a_100011933949_100012276601 [0,2,0,0,0,0|1,0,0]=3 16658 B15R0.164 C=CCCCCCCCCSCCC(C)O 62a_100012276601_100011933949 [0,2,0,0,0,0|1,0,0]=3 16659 B15R0.164 C=CCCCCCCCCSCCN(C)C 62a_100011933949_100000755713 [0,2,0,0,0,0|2,0,0]=4 16660 B15R0.164 C=CCCCCCCCCSCOC(C)C 62a_100000709892_100011933949 [0,2,0,0,0,0|2,0,0]=4 16661 B15R0.164 C=CCCCCCCCCSCOC(C)C 62a_100011933949_100000709892 [0,2,0,0,0,0|2,0,0]=4 16662 B15R0.164 C=CCCCCCCCNCCCC(=O)N 34a_100000739312_100012355270 [0,2,0,0,0,0|0,0,2]=4 16663 B15R0.164 C=CCCCCCCCNCCCC(C)C 2230a_200000737386_100012355270 [0,2,0,0,0,0|1,0,0]=3 16664 B15R0.164 C=CCCCCCCCNCCCC(C)C 34a_200000737386_100012355270 [0,2,0,0,0,0|1,0,0]=3 16665 B15R0.164 C=CCCCCCCCNCCCS(=O)C 2230a_200000753449_100012355270 [0,2,0,0,0,0|2,0,0]=4 16666 B15R0.164 C=CCCCCCCCNCCOC(C)C 2230a_100000701111_100012355270 [0,2,0,0,0,0|2,0,0]=4 16667 B15R0.164 C=CCCCCCCCNCCOC(C)C 34a_100000701111_100012355270 [0,2,0,0,0,0|2,0,0]=4 16668 B15R0.164 C=CCCCCCCCNCCSC(C)C 2230a_100000731138_100012355270 [0,2,0,0,0,0|2,0,0]=4 16669 B15R0.164 C=CCCCCCCCNCCSC(C)C 34a_100000731138_100012355270 [0,2,0,0,0,0|2,0,0]=4 16670 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000730831_100000685027 [0,2,0,0,0,0|0,0,2]=4 16671 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000759063_100012355270 [0,2,0,0,0,0|0,0,2]=4 16672 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000730831_100011215641 [0,2,0,0,0,0|0,0,2]=4 16673 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000759063_100012355270 [0,2,0,0,0,0|0,0,2]=4 16674 B15R0.164 C=CCCCCCCCOCCCC(=O)N 34a_100000730831_100102525003 [0,2,0,0,0,0|0,0,2]=4 16675 B15R0.164 C=CCCCCCCCOCCCC(=O)N 7a_100000730831_100102525003 [0,2,0,0,0,0|0,0,2]=4 16676 B15R0.164 C=CCCCCCCCOCCCC(C)C 34a_100000210774_100012355270 [0,2,0,0,0,0|1,0,0]=3 16677 B15R0.164 C=CCCCCCCCOCCCC(C)C 34a_100000730831_100011214892 [0,2,0,0,0,0|1,0,0]=3 16678 B15R0.164 C=CCCCCCCCOCCCC(C)C 7a_100000210774_100012355270 [0,2,0,0,0,0|1,0,0]=3 16679 B15R0.164 C=CCCCCCCCOCCCC(C)C 7a_100000730831_100011214892 [0,2,0,0,0,0|1,0,0]=3 16680 B15R0.164 C=CCCCCCCCOCCCC(C)O 34a_100000730831_200000718107 [0,2,0,0,0,0|1,0,0]=3 16681 B15R0.164 C=CCCCCCCCOCCCC(C)O 7a_100000730831_200000718107 [0,2,0,0,0,0|1,0,0]=3 16682 B15R0.164 C=CCCCCCCCOCCCN(C)C 7a_100000730831_100000757444 [0,2,0,0,0,0|2,0,0]=4 16683 B15R0.164 C=CCCCCCCCOCCNC(C)C 34a_100000224655_100012355270 [0,2,0,0,0,0|2,0,0]=4 16684 B15R0.164 C=CCCCCCCCOCCOC(C)C 34a_100000211219_100012355270 [0,2,0,0,0,0|2,0,0]=4 16685 B15R0.164 C=CCCCCCCCOCCOC(C)C 34a_100000730831_100000211751 [0,2,0,0,0,0|2,0,0]=4 16686 B15R0.164 C=CCCCCCCCOCCOC(C)C 7a_100000211219_100012355270 [0,2,0,0,0,0|2,0,0]=4 16687 B15R0.164 C=CCCCCCCCOCCOC(C)C 7a_100000730831_100000211751 [0,2,0,0,0,0|2,0,0]=4 16688 B15R0.164 C=CCCCCCCCOCCSC(C)C 34a_100000730831_100000730970 [0,2,0,0,0,0|2,0,0]=4 16689 B15R0.164 C=CCCCCCCCOCCSC(C)C 34a_200011212901_100012355270 [0,2,0,0,0,0|2,0,0]=4 16690 B15R0.164 C=CCCCCCCCOCCSC(C)C 7a_100000730831_100000730970 [0,2,0,0,0,0|2,0,0]=4 16691 B15R0.164 C=CCCCCCCCOCCSC(C)C 7a_200011212901_100012355270 [0,2,0,0,0,0|2,0,0]=4 16692 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100011215641_100012355270 [0,2,0,0,0,0|0,0,2]=4 16693 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100012355270_100011215641 [0,2,0,0,0,0|0,0,2]=4 16694 B15R0.164 C=CCCCCCCCSCCCC(=O)N 62a_100012355270_100102525003 [0,2,0,0,0,0|0,0,2]=4 16695 B15R0.164 C=CCCCCCCCSCCCC(=O)N 62a_100102525003_100012355270 [0,2,0,0,0,0|0,0,2]=4 16696 B15R0.164 C=CCCCCCCCSCCCC(C)C 62a_100011214892_100012355270 [0,2,0,0,0,0|1,0,0]=3 16697 B15R0.164 C=CCCCCCCCSCCCC(C)C 62a_100012355270_100011214892 [0,2,0,0,0,0|1,0,0]=3 16698 B15R0.164 C=CCCCCCCCSCCCC(C)O 62a_100012355270_200000718107 [0,2,0,0,0,0|1,0,0]=3 16699 B15R0.164 C=CCCCCCCCSCCCC(C)O 62a_200000718107_100012355270 [0,2,0,0,0,0|1,0,0]=3 16700 B15R0.164 C=CCCCCCCCSCCCN(C)C 62a_100012355270_100000757444 [0,2,0,0,0,0|2,0,0]=4 16701 B15R0.164 C=CCCCCCCCSCCOC(C)C 62a_100000211751_100012355270 [0,2,0,0,0,0|2,0,0]=4 16702 B15R0.164 C=CCCCCCCCSCCOC(C)C 62a_100012355270_100000211751 [0,2,0,0,0,0|2,0,0]=4 16703 B15R0.164 C=CCCCCCCCSCCSC(C)C 62a_100000730970_100012355270 [0,2,0,0,0,0|2,0,0]=4 16704 B15R0.164 C=CCCCCCCCSCCSC(C)C 62a_100012355270_100000730970 [0,2,0,0,0,0|2,0,0]=4 16705 B15R0.164 C=CCCCCCCNCCCCC(=O)N 34a_100000696515_100011215473 [0,2,0,0,0,0|0,0,2]=4 16706 B15R0.164 C=CCCCCCCNCCCOC(C)C 2230a_100000737246_100011215473 [0,2,0,0,0,0|2,0,0]=4 16707 B15R0.164 C=CCCCCCCNCCCOC(C)C 34a_100000737246_100011215473 [0,2,0,0,0,0|2,0,0]=4 16708 B15R0.164 C=CCCCCCCOCCCCC(=O)C 34a_200011216477_100009817362 [0,2,0,0,0,0|0,0,2]=4 16709 B15R0.164 C=CCCCCCCOCCCCC(=O)C 7a_200011216477_100000735457 [0,2,0,0,0,0|0,0,2]=4 16710 B15R0.164 C=CCCCCCCOCCCCC(=O)N 34a_100012022536_100011215473 [0,2,0,0,0,0|0,0,2]=4 16711 B15R0.164 C=CCCCCCCOCCCCC(=O)N 7a_100012022536_100011215473 [0,2,0,0,0,0|0,0,2]=4 16712 B15R0.164 C=CCCCCCCOCCCCC(C)C 34a_100011214890_100011215473 [0,2,0,0,0,0|1,0,0]=3 16713 B15R0.164 C=CCCCCCCOCCCCC(C)C 34a_200011216477_100011216152 [0,2,0,0,0,0|1,0,0]=3 16714 B15R0.164 C=CCCCCCCOCCCCC(C)C 7a_100011214890_100011215473 [0,2,0,0,0,0|1,0,0]=3 16715 B15R0.164 C=CCCCCCCOCCCCC(C)C 7a_200011216477_100011216152 [0,2,0,0,0,0|1,0,0]=3 16716 B15R0.164 C=CCCCCCCOCCCNC(C)C 34a_100000182298_100011215473 [0,2,0,0,0,0|2,0,0]=4 16717 B15R0.164 C=CCCCCCCOCCNCC(C)C 34a_100015185251_100011215473 [0,2,0,0,0,0|2,0,0]=4 16718 B15R0.164 C=CCCCCCCOCCOCC(C)C 34a_100000703358_100011215473 [0,2,0,0,0,0|2,0,0]=4 16719 B15R0.164 C=CCCCCCCOCCOCC(C)C 7a_100000703358_100011215473 [0,2,0,0,0,0|2,0,0]=4 16720 B15R0.164 C=CCCCCCCOCCSCC(C)C 34a_200000230437_100011215473 [0,2,0,0,0,0|2,0,0]=4 16721 B15R0.164 C=CCCCCCCOCCSCC(C)C 7a_200000230437_100011215473 [0,2,0,0,0,0|2,0,0]=4 16722 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100000735457_100011215473 [0,2,0,0,0,0|0,0,2]=4 16723 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100011215473_100000735457 [0,2,0,0,0,0|0,0,2]=4 16724 B15R0.164 C=CCCCCCCSCCCCC(C)C 62a_100011215473_100011216152 [0,2,0,0,0,0|1,0,0]=3 16725 B15R0.164 C=CCCCCCCSCCCCC(C)C 62a_100011216152_100011215473 [0,2,0,0,0,0|1,0,0]=3 16726 B15R0.164 C=CCCCCCCSCCCCN(C)C 62a_100011215473_100000690147 [0,2,0,0,0,0|2,0,0]=4 16727 B15R0.164 C=CCCCCCNCCCCCC(C)C 2230a_100011290863_100000700193 [0,2,0,0,0,0|1,0,0]=3 16728 B15R0.164 C=CCCCCCNCCCCCC(C)C 34a_100011290863_100000700193 [0,2,0,0,0,0|1,0,0]=3 16729 B15R0.164 C=CCCCCCNCCCOCC(C)C 2230a_100000205972_100000700193 [0,2,0,0,0,0|2,0,0]=4 16730 B15R0.164 C=CCCCCCNCCCOCC(C)C 34a_100000205972_100000700193 [0,2,0,0,0,0|2,0,0]=4 16731 B15R0.164 C=CCCCCCOCCCCCC(=O)N 34a_100000123541_100000700193 [0,2,0,0,0,0|0,0,2]=4 16732 B15R0.164 C=CCCCCCOCCCCCC(=O)N 34a_100011216702_100009817443 [0,2,0,0,0,0|0,0,2]=4 16733 B15R0.164 C=CCCCCCOCCCCCC(=O)N 7a_100000123541_100000700193 [0,2,0,0,0,0|0,0,2]=4 16734 B15R0.164 C=CCCCCCOCCCCCC(=O)N 7a_100011216702_100009817443 [0,2,0,0,0,0|0,0,2]=4 16735 B15R0.164 C=CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000700193 [0,2,0,0,0,0|0,0,2]=4 16736 B15R0.164 C=CCCCCCOCCCCCC(C)C 34a_100011216702_100000210682 [0,2,0,0,0,0|1,0,0]=3 16737 B15R0.164 C=CCCCCCOCCCCCC(C)C 34a_100011995859_100000700193 [0,2,0,0,0,0|1,0,0]=3 16738 B15R0.164 C=CCCCCCOCCCCCC(C)C 7a_100011216702_100000210682 [0,2,0,0,0,0|1,0,0]=3 16739 B15R0.164 C=CCCCCCOCCCCCC(C)C 7a_100011995859_100000700193 [0,2,0,0,0,0|1,0,0]=3 16740 B15R0.164 C=CCCCCCOCCCCNC(C)C 34a_100011521146_100000700193 [0,2,0,0,0,0|2,0,0]=4 16741 B15R0.164 C=CCCCCCSCCCCCC(=O)N 62a_100000700193_100009817443 [0,2,0,0,0,0|0,0,2]=4 16742 B15R0.164 C=CCCCCCSCCCCCC(=O)N 62a_100009817443_100000700193 [0,2,0,0,0,0|0,0,2]=4 16743 B15R0.164 C=CCCCCCSCCCCCC(C)C 62a_100000210682_100000700193 [0,2,0,0,0,0|1,0,0]=3 16744 B15R0.164 C=CCCCCCSCCCCCC(C)C 62a_100000700193_100000210682 [0,2,0,0,0,0|1,0,0]=3 16745 B15R0.164 C=CCCCCNCCCCCCC(C)C 2230a_100000211014_100011215482 [0,2,0,0,0,0|1,0,0]=3 16746 B15R0.164 C=CCCCCNCCCCCCC(C)C 34a_100000211014_100011215482 [0,2,0,0,0,0|1,0,0]=3 16747 B15R0.164 C=CCCCCOCCCCCNC(C)C 34a_100011629493_100011215482 [0,2,0,0,0,0|2,0,0]=4 16748 B15R0.164 C=CCCCOCCCCCCCC(C)C 34a_200000210741_100000757094 [0,2,0,0,0,0|1,0,0]=3 16749 B15R0.164 C=CCCCOCCCCCCCC(C)C 7a_200000210741_100000757094 [0,2,0,0,0,0|1,0,0]=3 16750 B15R0.164 C=COCCCCOCCCCCC(C)C 34a_100000031558_100000210682 [0,2,0,0,0,0|2,0,0]=4 16751 B15R0.164 C=COCCCCOCCCCCC(C)C 7a_100000031558_100000210682 [0,2,0,0,0,0|2,0,0]=4 16752 B15R0.164 C=COCCOCCCCCCCC(C)C 34a_200000210741_100000039644 [0,2,0,0,0,0|2,0,0]=4 16753 B15R0.164 C=COCCOCCCCCCCC(C)C 7a_200000210741_100000039644 [0,2,0,0,0,0|2,0,0]=4 16754 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [0,2,0,0,0,0|0,0,0]=2 16755 B15R0.164 CC(=O)CCCCCCOCCCCCO 1458a_100000070787_200132310570 [0,2,0,0,0,0|1,0,0]=3 16756 B15R0.164 CC(=O)CCCCNCCCCCCCO 34a_100011996573_100009817362 [0,2,0,0,0,0|1,0,0]=3 16757 B15R0.164 CC(=O)CCCCNCCCOCCCO 34a_100011310245_100009817362 [0,2,0,0,0,0|2,0,0]=4 16758 B15R0.164 CC(=O)CCCCOCCCCCCCBr 34a_100000760002_100009817362 [0,2,0,0,0,0|1,0,0]=3 16759 B15R0.164 CC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000735457 [0,2,0,0,0,0|1,0,0]=3 16760 B15R0.164 CC(=O)CCCCOCCCCCCCN 34a_100011996573_100009817362 [0,2,0,0,0,0|1,0,0]=3 16761 B15R0.164 CC(=O)CCCCOCCCOCCCN 34a_100011310245_100009817362 [0,2,0,0,0,0|2,0,0]=4 16762 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100000735457_100009813337 [0,2,0,0,0,0|1,0,1]=4 16763 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100009813337_100000735457 [0,2,0,0,0,0|1,0,1]=4 16764 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000735457_100000760002 [0,2,0,0,0,0|1,0,0]=3 16765 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000760002_100000735457 [0,2,0,0,0,0|1,0,0]=3 16766 B15R0.164 CC(=O)CCCNCCCCCCCCO 34a_102515433106_100000685027 [0,2,0,0,0,0|1,0,0]=3 16767 B15R0.164 CC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000685027 [0,2,0,0,0,0|1,0,0]=3 16768 B15R0.164 CC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215641 [0,2,0,0,0,0|1,0,0]=3 16769 B15R0.164 CC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000685027 [0,2,0,0,0,0|1,0,0]=3 16770 B15R0.164 CC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215641 [0,2,0,0,0,0|1,0,0]=3 16771 B15R0.164 CC(=O)CCCOCCCCCCCCN 34a_102515433106_100000685027 [0,2,0,0,0,0|1,0,0]=3 16772 B15R0.164 CC(=O)CCCOCCCCCCCCO 34a_100000759063_100000033203 [0,2,0,0,0,0|1,0,0]=3 16773 B15R0.164 CC(=O)CCCOCCCCCCCCO 7a_100000759063_100000033203 [0,2,0,0,0,0|1,0,0]=3 16774 B15R0.164 CC(=O)CCCOCCCCCNCCN 34a_103619048469_100000685027 [0,2,0,0,0,0|2,0,0]=4 16775 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100000033203_100011215641 [0,2,0,0,0,0|1,0,0]=3 16776 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100011215641_100000033203 [0,2,0,0,0,0|1,0,0]=3 16777 B15R0.164 CC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000053229 [0,2,0,0,0,0|1,0,0]=3 16778 B15R0.164 CC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000053229 [0,2,0,0,0,0|1,0,0]=3 16779 B15R0.164 CC(=O)CCOCCCCCCCCCO 34a_100000759926_100009813782 [0,2,0,0,0,0|1,0,0]=3 16780 B15R0.164 CC(=O)CCOCCCCCCCCCO 7a_100000759926_100009813782 [0,2,0,0,0,0|1,0,0]=3 16781 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100000053229_100009813782 [0,2,0,0,0,0|1,0,0]=3 16782 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100009813782_100000053229 [0,2,0,0,0,0|1,0,0]=3 16783 B15R0.164 CC(=O)COCCCCCCCCCCO 34a_100000211253_100009813290 [0,2,0,0,0,0|1,0,0]=3 16784 B15R0.164 CC(=O)NCCCCCCNCCCC=O 2230a_200011996284_200011292268 [0,2,0,0,0,0|1,0,1]=4 16785 B15R0.164 CC(=O)NCCCCCCNCCCCF 2230a_200011996284_100000729493 [0,2,0,0,0,0|2,0,0]=4 16786 B15R0.164 CC(=O)NCCCCCCNCCCCF 34a_200011996284_100000729493 [0,2,0,0,0,0|2,0,0]=4 16787 B15R0.164 CC(=O)NCCCCCCNCCCCO 2230a_200011996284_100000210776 [0,2,0,0,0,0|2,0,0]=4 16788 B15R0.164 CC(=O)NCCCCCCNCCCCO 34a_200011996284_100011216708 [0,2,0,0,0,0|2,0,0]=4 16789 B15R0.164 CC(=O)NCCCCCNCCCCC=O 2230a_200012022750_100000139335 [0,2,0,0,0,0|1,0,1]=4 16790 B15R0.164 CC(=O)NCCCCCNCCCCCF 2230a_200012022750_100000729378 [0,2,0,0,0,0|2,0,0]=4 16791 B15R0.164 CC(=O)NCCCCCNCCCCCF 34a_200012022750_100000729378 [0,2,0,0,0,0|2,0,0]=4 16792 B15R0.164 CC(=O)NCCCCCNCCCCCO 2230a_200012022750_100000746330 [0,2,0,0,0,0|2,0,0]=4 16793 B15R0.164 CC(=O)NCCCCCNCCCCCO 34a_200012022750_100000746330 [0,2,0,0,0,0|2,0,0]=4 16794 B15R0.164 CC(=O)NCCCCNCCCCCC=O 2230a_200011368371_100000139337 [0,2,0,0,0,0|1,0,1]=4 16795 B15R0.164 CC(=O)NCCCCNCCCCCCF 2230a_200011368371_100015922095 [0,2,0,0,0,0|2,0,0]=4 16796 B15R0.164 CC(=O)NCCCCNCCCCCCF 34a_200011368371_100015922095 [0,2,0,0,0,0|2,0,0]=4 16797 B15R0.164 CC(=O)NCCCCNCCCCCCO 2230a_200011368371_100000766143 [0,2,0,0,0,0|2,0,0]=4 16798 B15R0.164 CC(=O)NCCCCNCCCCCCO 34a_200011368371_100000766143 [0,2,0,0,0,0|2,0,0]=4 16799 B15R0.164 CC(=O)NCCCNCCCCCCCO 34a_100000736810_100000760002 [0,2,0,0,0,0|2,0,0]=4 16800 B15R0.164 CC(=O)NCCCOCCCCCCCO 34a_100000752032_100000760002 [0,2,0,0,0,0|2,0,0]=4 16801 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_100000209853_100000033203 [0,2,0,0,0,0|2,0,0]=4 16802 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_102515433106_100000189650 [0,2,0,0,0,0|2,0,0]=4 16803 B15R0.164 CC(=O)NCCOCCCCCCCCBr 7a_100009813846_100000189650 [0,2,0,0,0,0|2,0,0]=4 16804 B15R0.164 CC(=O)NCCOCCCCCCCCCl 7a_100000033203_100000189650 [0,2,0,0,0,0|2,0,0]=4 16805 B15R0.164 CC(=O)NCCOCCCCCCCCO 34a_100000158858_100000033203 [0,2,0,0,0,0|2,0,0]=4 16806 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000033203_100000189650 [0,2,0,0,0,0|2,0,0]=4 16807 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000189650_100000033203 [0,2,0,0,0,0|2,0,0]=4 16808 B15R0.164 CC(=O)OCCCCCNCCCCCO 2230a_100000762737_100009813381 [0,2,0,0,0,0|2,0,0]=4 16809 B15R0.164 CC(=O)OCCCCCNCCCCCO 34a_100000762737_100000033007 [0,2,0,0,0,0|2,0,0]=4 16810 B15R0.164 CC(=O)OCCCCCOCCCCCBr 34a_100000746331_100000033007 [0,2,0,0,0,0|2,0,0]=4 16811 B15R0.164 CC(=O)OCCCCCOCCCCCBr 7a_100000746331_100000033007 [0,2,0,0,0,0|2,0,0]=4 16812 B15R0.164 CC(=O)OCCCCCOCCCCCCl 34a_100000746330_100000033007 [0,2,0,0,0,0|2,0,0]=4 16813 B15R0.164 CC(=O)OCCCCCOCCCCCCl 7a_100000746330_100000033007 [0,2,0,0,0,0|2,0,0]=4 16814 B15R0.164 CC(=O)OCCCCCOCCCCCI 34a_200012148887_100000033007 [0,2,0,0,0,0|2,0,0]=4 16815 B15R0.164 CC(=O)OCCCCCOCCCCCI 7a_200012148887_100000033007 [0,2,0,0,0,0|2,0,0]=4 16816 B15R0.164 CC(=O)OCCCCCOCCCCCN 34a_100000762737_100000033007 [0,2,0,0,0,0|2,0,0]=4 16817 B15R0.164 CC(=O)OCCCCCSCCCCC=O 62a_100000033007_100000139335 [0,2,0,0,0,0|1,0,1]=4 16818 B15R0.164 CC(=O)OCCCCCSCCCCC=O 62a_100000139335_100000033007 [0,2,0,0,0,0|1,0,1]=4 16819 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000033007_100000729378 [0,2,0,0,0,0|2,0,0]=4 16820 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000729378_100000033007 [0,2,0,0,0,0|2,0,0]=4 16821 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000033007_100000746330 [0,2,0,0,0,0|2,0,0]=4 16822 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000746330_100000033007 [0,2,0,0,0,0|2,0,0]=4 16823 B15R0.164 CC(=O)OCCCCNCCCCCCO 34a_100000686447_100000033659 [0,2,0,0,0,0|2,0,0]=4 16824 B15R0.164 CC(=O)OCCCCOCCCCCC=O 7a_100000073216_100000139337 [0,2,0,0,0,0|1,0,1]=4 16825 B15R0.164 CC(=O)OCCCCOCCCCCCBr 34a_100011215345_100000033659 [0,2,0,0,0,0|2,0,0]=4 16826 B15R0.164 CC(=O)OCCCCOCCCCCCBr 7a_100011215345_100000033659 [0,2,0,0,0,0|2,0,0]=4 16827 B15R0.164 CC(=O)OCCCCOCCCCCCCl 34a_100000766143_100000033659 [0,2,0,0,0,0|2,0,0]=4 16828 B15R0.164 CC(=O)OCCCCOCCCCCCCl 7a_100000766143_100000033659 [0,2,0,0,0,0|2,0,0]=4 16829 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000073216_100015922095 [0,2,0,0,0,0|2,0,0]=4 16830 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000732779_100000033659 [0,2,0,0,0,0|2,0,0]=4 16831 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000073216_100015922095 [0,2,0,0,0,0|2,0,0]=4 16832 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000732779_100000033659 [0,2,0,0,0,0|2,0,0]=4 16833 B15R0.164 CC(=O)OCCCCOCCCCCCN 34a_100000686447_100000033659 [0,2,0,0,0,0|2,0,0]=4 16834 B15R0.164 CC(=O)OCCCCOCCCCCCO 34a_100000073216_100000766143 [0,2,0,0,0,0|2,0,0]=4 16835 B15R0.164 CC(=O)OCCCCOCCCCCCO 7a_100000073216_100000766143 [0,2,0,0,0,0|2,0,0]=4 16836 B15R0.164 CC(=O)OCCCCSCCCCCC=O 62a_100000033659_100000139337 [0,2,0,0,0,0|1,0,1]=4 16837 B15R0.164 CC(=O)OCCCCSCCCCCC=O 62a_100000139337_100000033659 [0,2,0,0,0,0|1,0,1]=4 16838 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100000033659_100015922095 [0,2,0,0,0,0|2,0,0]=4 16839 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100015922095_100000033659 [0,2,0,0,0,0|2,0,0]=4 16840 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000033659_100000766143 [0,2,0,0,0,0|2,0,0]=4 16841 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000766143_100000033659 [0,2,0,0,0,0|2,0,0]=4 16842 B15R0.164 CC(=O)OCCCNCCCCCCCO 34a_100011996573_100000042594 [0,2,0,0,0,0|2,0,0]=4 16843 B15R0.164 CC(=O)OCCCOCCCCCCCBr 34a_100000760002_100000042594 [0,2,0,0,0,0|2,0,0]=4 16844 B15R0.164 CC(=O)OCCCOCCCCCCCBr 7a_100000760002_100000042594 [0,2,0,0,0,0|2,0,0]=4 16845 B15R0.164 CC(=O)OCCCOCCCCCCCN 34a_100011996573_100000042594 [0,2,0,0,0,0|2,0,0]=4 16846 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000042594_100000760002 [0,2,0,0,0,0|2,0,0]=4 16847 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000760002_100000042594 [0,2,0,0,0,0|2,0,0]=4 16848 B15R0.164 CC(=O)OCCNCCCCCCCCO 34a_102515433106_100009814007 [0,2,0,0,0,0|2,0,0]=4 16849 B15R0.164 CC(=O)OCCOCCCCCCCCBr 34a_100009813846_100009814007 [0,2,0,0,0,0|2,0,0]=4 16850 B15R0.164 CC(=O)OCCOCCCCCCCCBr 7a_100009813846_100009814007 [0,2,0,0,0,0|2,0,0]=4 16851 B15R0.164 CC(=O)OCCOCCCCCCCCCl 34a_100000033203_100009814007 [0,2,0,0,0,0|2,0,0]=4 16852 B15R0.164 CC(=O)OCCOCCCCCCCCCl 7a_100000033203_100009814007 [0,2,0,0,0,0|2,0,0]=4 16853 B15R0.164 CC(=O)OCCOCCCCCCCCN 34a_102515433106_100009814007 [0,2,0,0,0,0|2,0,0]=4 16854 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100000033203_100009814007 [0,2,0,0,0,0|2,0,0]=4 16855 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100009814007_100000033203 [0,2,0,0,0,0|2,0,0]=4 16856 B15R0.164 CC(=O)OCNCCCCCCCCCO 34a_100000078944_100009813279 [0,2,0,0,0,0|2,0,0]=4 16857 B15R0.164 CC(=O)OCOCCCCCCCCCBr 34a_100009813782_100009813279 [0,2,0,0,0,0|2,0,0]=4 16858 B15R0.164 CC(=O)OCOCCCCCCCCCCl 34a_100009868337_100009813279 [0,2,0,0,0,0|2,0,0]=4 16859 B15R0.164 CC(=O)OCOCCCCCCCCCN 34a_100000078944_100009813279 [0,2,0,0,0,0|2,0,0]=4 16860 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100000076356_100009813782 [0,2,0,0,0,0|2,0,0]=4 16861 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100009813782_100000076356 [0,2,0,0,0,0|2,0,0]=4 16862 B15R0.164 CC(=O)SCCCCNCCCCCCO 2230a_100000686447_200010402107 [0,2,0,0,0,0|2,0,0]=4 16863 B15R0.164 CC(=O)SCCCCNCCCCCCO 34a_100000686447_200010402107 [0,2,0,0,0,0|2,0,0]=4 16864 B15R0.164 CC(=O)SCCCCOCCCCCCBr 34a_100011215345_200010402107 [0,2,0,0,0,0|2,0,0]=4 16865 B15R0.164 CC(=O)SCCCCOCCCCCCBr 7a_100011215345_200010402107 [0,2,0,0,0,0|2,0,0]=4 16866 B15R0.164 CC(=O)SCCCCOCCCCCCCl 34a_100000766143_200010402107 [0,2,0,0,0,0|2,0,0]=4 16867 B15R0.164 CC(=O)SCCCCOCCCCCCCl 7a_100000766143_200010402107 [0,2,0,0,0,0|2,0,0]=4 16868 B15R0.164 CC(=O)SCCCCOCCCCCCF 34a_100000732779_200010402107 [0,2,0,0,0,0|2,0,0]=4 16869 B15R0.164 CC(=O)SCCCCOCCCCCCF 7a_100000732779_200010402107 [0,2,0,0,0,0|2,0,0]=4 16870 B15R0.164 CC(=O)SCCCCOCCCCCCN 34a_100000686447_200010402107 [0,2,0,0,0,0|2,0,0]=4 16871 B15R0.164 CC(=O)SCCCCSCCCCCC=O 62a_100000139337_200010402107 [0,2,0,0,0,0|1,0,1]=4 16872 B15R0.164 CC(=O)SCCCCSCCCCCC=O 62a_200010402107_100000139337 [0,2,0,0,0,0|1,0,1]=4 16873 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_100015922095_200010402107 [0,2,0,0,0,0|2,0,0]=4 16874 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_200010402107_100015922095 [0,2,0,0,0,0|2,0,0]=4 16875 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_100000766143_200010402107 [0,2,0,0,0,0|2,0,0]=4 16876 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_200010402107_100000766143 [0,2,0,0,0,0|2,0,0]=4 16877 B15R0.164 CC(=O)SCCCNCCCCCCCO 2230a_100011996573_100000038929 [0,2,0,0,0,0|2,0,0]=4 16878 B15R0.164 CC(=O)SCCCNCCCCCCCO 34a_100011996573_100000038929 [0,2,0,0,0,0|2,0,0]=4 16879 B15R0.164 CC(=O)SCCCOCCCCCCCBr 34a_100000760002_100000038929 [0,2,0,0,0,0|2,0,0]=4 16880 B15R0.164 CC(=O)SCCCOCCCCCCCBr 7a_100000760002_100000038929 [0,2,0,0,0,0|2,0,0]=4 16881 B15R0.164 CC(=O)SCCCOCCCCCCCN 34a_100011996573_100000038929 [0,2,0,0,0,0|2,0,0]=4 16882 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000038929_100000760002 [0,2,0,0,0,0|2,0,0]=4 16883 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000760002_100000038929 [0,2,0,0,0,0|2,0,0]=4 16884 B15R0.164 CC(Br)CCOCCCCCCCCCO 34a_100009893172_100009813782 [0,2,0,0,0,0|0,0,2]=4 16885 B15R0.164 CC(Br)COCCCCCCCCCCO 34a_100012180447_100009813290 [0,2,0,0,0,0|0,0,2]=4 16886 B15R0.164 CC(C)CCCCCCCOCCCC#N 7a_200000210741_100000687738 [0,2,0,0,0,0|1,0,1]=4 16887 B15R0.164 CC(C)CCCCCCCOCCCC=O 7a_200000210741_200011292268 [0,2,0,0,0,0|0,0,0]=2 16888 B15R0.164 CC(C)CCCCCCCOCCCCF 34a_200000210741_100000729493 [0,2,0,0,0,0|1,0,1]=4 16889 B15R0.164 CC(C)CCCCCCCOCCCCF 7a_200000210741_100000729493 [0,2,0,0,0,0|1,0,1]=4 16890 B15R0.164 CC(C)CCCCCCCOCCCCO 34a_200000210741_100011216708 [0,2,0,0,0,0|0,0,2]=4 16891 B15R0.164 CC(C)CCCCCCCOCCCCO 7a_200000210741_100000210776 [0,2,0,0,0,0|0,0,2]=4 16892 B15R0.164 CC(C)CCCCCCNCCCCC#N 2230a_100000211014_100000211819 [0,2,0,0,0,0|1,0,1]=4 16893 B15R0.164 CC(C)CCCCCCNCCCCC=O 2230a_100000211014_100000139335 [0,2,0,0,0,0|0,0,0]=2 16894 B15R0.164 CC(C)CCCCCCNCCCCCF 2230a_100000211014_100000729378 [0,2,0,0,0,0|1,0,1]=4 16895 B15R0.164 CC(C)CCCCCCNCCCCCF 34a_100000211014_100000729378 [0,2,0,0,0,0|1,0,1]=4 16896 B15R0.164 CC(C)CCCCCCNCCCCCO 2230a_100000211014_100000746330 [0,2,0,0,0,0|0,0,2]=4 16897 B15R0.164 CC(C)CCCCCCNCCCCCO 34a_100000211014_100000746330 [0,2,0,0,0,0|0,0,2]=4 16898 B15R0.164 CC(C)CCCCCNCCCCCC#N 2230a_100011290863_100009813376 [0,2,0,0,0,0|1,0,1]=4 16899 B15R0.164 CC(C)CCCCCNCCCCCC=O 2230a_100011290863_100000139337 [0,2,0,0,0,0|0,0,0]=2 16900 B15R0.164 CC(C)CCCCCNCCCCCCF 2230a_100011290863_100015922095 [0,2,0,0,0,0|1,0,1]=4 16901 B15R0.164 CC(C)CCCCCNCCCCCCF 34a_100011290863_100015922095 [0,2,0,0,0,0|1,0,1]=4 16902 B15R0.164 CC(C)CCCCCNCCCCCCO 2230a_100000686447_100000210682 [0,2,0,0,0,0|0,0,2]=4 16903 B15R0.164 CC(C)CCCCCNCCCCCCO 2230a_100011290863_100000766143 [0,2,0,0,0,0|0,0,2]=4 16904 B15R0.164 CC(C)CCCCCNCCCCCCO 34a_100000686447_100000210682 [0,2,0,0,0,0|0,0,2]=4 16905 B15R0.164 CC(C)CCCCCNCCCCCCO 34a_100011290863_100000766143 [0,2,0,0,0,0|0,0,2]=4 16906 B15R0.164 CC(C)CCCCCOCCCCCC#N 7a_100011995859_100009813376 [0,2,0,0,0,0|1,0,1]=4 16907 B15R0.164 CC(C)CCCCCOCCCCCC=O 7a_100011995859_100000139337 [0,2,0,0,0,0|0,0,0]=2 16908 B15R0.164 CC(C)CCCCCOCCCCCCBr 34a_100011215345_100000210682 [0,2,0,0,0,0|1,0,1]=4 16909 B15R0.164 CC(C)CCCCCOCCCCCCBr 7a_100011215345_100000210682 [0,2,0,0,0,0|1,0,1]=4 16910 B15R0.164 CC(C)CCCCCOCCCCCCCl 34a_100000766143_100000210682 [0,2,0,0,0,0|1,0,1]=4 16911 B15R0.164 CC(C)CCCCCOCCCCCCCl 7a_100000766143_100000210682 [0,2,0,0,0,0|1,0,1]=4 16912 B15R0.164 CC(C)CCCCCOCCCCCCF 34a_100000732779_100000210682 [0,2,0,0,0,0|1,0,1]=4 16913 B15R0.164 CC(C)CCCCCOCCCCCCF 34a_100011995859_100015922095 [0,2,0,0,0,0|1,0,1]=4 16914 B15R0.164 CC(C)CCCCCOCCCCCCF 7a_100000732779_100000210682 [0,2,0,0,0,0|1,0,1]=4 16915 B15R0.164 CC(C)CCCCCOCCCCCCF 7a_100011995859_100015922095 [0,2,0,0,0,0|1,0,1]=4 16916 B15R0.164 CC(C)CCCCCOCCCCCCN 34a_100000686447_100000210682 [0,2,0,0,0,0|1,0,1]=4 16917 B15R0.164 CC(C)CCCCCOCCCCCCO 34a_100011995859_100000766143 [0,2,0,0,0,0|0,0,2]=4 16918 B15R0.164 CC(C)CCCCCOCCCCCCO 7a_100011995859_100000766143 [0,2,0,0,0,0|0,0,2]=4 16919 B15R0.164 CC(C)CCCCCSCCCCCC#N 62a_100000210682_100009813376 [0,2,0,0,0,0|1,0,1]=4 16920 B15R0.164 CC(C)CCCCCSCCCCCC#N 62a_100009813376_100000210682 [0,2,0,0,0,0|1,0,1]=4 16921 B15R0.164 CC(C)CCCCCSCCCCCC=O 62a_100000139337_100000210682 [0,2,0,0,0,0|0,0,0]=2 16922 B15R0.164 CC(C)CCCCCSCCCCCC=O 62a_100000210682_100000139337 [0,2,0,0,0,0|0,0,0]=2 16923 B15R0.164 CC(C)CCCCCSCCCCCCF 62a_100000210682_100015922095 [0,2,0,0,0,0|1,0,1]=4 16924 B15R0.164 CC(C)CCCCCSCCCCCCF 62a_100015922095_100000210682 [0,2,0,0,0,0|1,0,1]=4 16925 B15R0.164 CC(C)CCCCCSCCCCCCO 62a_100000210682_100000766143 [0,2,0,0,0,0|0,0,2]=4 16926 B15R0.164 CC(C)CCCCCSCCCCCCO 62a_100000766143_100000210682 [0,2,0,0,0,0|0,0,2]=4 16927 B15R0.164 CC(C)CCCCNCCCCCCCO 2230a_100011996573_100011216152 [0,2,0,0,0,0|0,0,2]=4 16928 B15R0.164 CC(C)CCCCNCCCCCCCO 34a_100011996573_100011216152 [0,2,0,0,0,0|0,0,2]=4 16929 B15R0.164 CC(C)CCCCOCCCCCCC#N 7a_100011214890_100009813337 [0,2,0,0,0,0|1,0,1]=4 16930 B15R0.164 CC(C)CCCCOCCCCCCCBr 34a_100000760002_100011216152 [0,2,0,0,0,0|1,0,1]=4 16931 B15R0.164 CC(C)CCCCOCCCCCCCBr 7a_100000760002_100011216152 [0,2,0,0,0,0|1,0,1]=4 16932 B15R0.164 CC(C)CCCCOCCCCCCCN 34a_100011996573_100011216152 [0,2,0,0,0,0|1,0,1]=4 16933 B15R0.164 CC(C)CCCCOCCCCCCCO 34a_100011214890_100000760002 [0,2,0,0,0,0|0,0,2]=4 16934 B15R0.164 CC(C)CCCCOCCCCCCCO 7a_100011214890_100000760002 [0,2,0,0,0,0|0,0,2]=4 16935 B15R0.164 CC(C)CCCCSCCCCCCC#N 62a_100009813337_100011216152 [0,2,0,0,0,0|1,0,1]=4 16936 B15R0.164 CC(C)CCCCSCCCCCCC#N 62a_100011216152_100009813337 [0,2,0,0,0,0|1,0,1]=4 16937 B15R0.164 CC(C)CCCCSCCCCCCCO 62a_100000760002_100011216152 [0,2,0,0,0,0|0,0,2]=4 16938 B15R0.164 CC(C)CCCCSCCCCCCCO 62a_100011216152_100000760002 [0,2,0,0,0,0|0,0,2]=4 16939 B15R0.164 CC(C)CCCNCCCCCCCCO 2230a_102515433106_100011214892 [0,2,0,0,0,0|0,0,2]=4 16940 B15R0.164 CC(C)CCCNCCCCCCCCO 2230a_200000737386_100000033203 [0,2,0,0,0,0|0,0,2]=4 16941 B15R0.164 CC(C)CCCNCCCCCCCCO 34a_102515433106_100011214892 [0,2,0,0,0,0|0,0,2]=4 16942 B15R0.164 CC(C)CCCNCCCCCCCCO 34a_200000737386_100000033203 [0,2,0,0,0,0|0,0,2]=4 16943 B15R0.164 CC(C)CCCOCCCCCCCCBr 34a_100009813846_100011214892 [0,2,0,0,0,0|1,0,1]=4 16944 B15R0.164 CC(C)CCCOCCCCCCCCBr 7a_100009813846_100011214892 [0,2,0,0,0,0|1,0,1]=4 16945 B15R0.164 CC(C)CCCOCCCCCCCCCl 34a_100000033203_100011214892 [0,2,0,0,0,0|1,0,1]=4 16946 B15R0.164 CC(C)CCCOCCCCCCCCCl 7a_100000033203_100011214892 [0,2,0,0,0,0|1,0,1]=4 16947 B15R0.164 CC(C)CCCOCCCCCCCCN 34a_102515433106_100011214892 [0,2,0,0,0,0|1,0,1]=4 16948 B15R0.164 CC(C)CCCOCCCCCCCCO 34a_100000210774_100000033203 [0,2,0,0,0,0|0,0,2]=4 16949 B15R0.164 CC(C)CCCOCCCCCCCCO 7a_100000210774_100000033203 [0,2,0,0,0,0|0,0,2]=4 16950 B15R0.164 CC(C)CCCSCCCCCCCCO 62a_100000033203_100011214892 [0,2,0,0,0,0|0,0,2]=4 16951 B15R0.164 CC(C)CCCSCCCCCCCCO 62a_100011214892_100000033203 [0,2,0,0,0,0|0,0,2]=4 16952 B15R0.164 CC(C)CCNCCCCCCCCCO 2230a_100000078944_100000210312 [0,2,0,0,0,0|0,0,2]=4 16953 B15R0.164 CC(C)CCNCCCCCCCCCO 269862a_100000078944_100000185833 [0,2,0,0,0,0|0,0,2]=4 16954 B15R0.164 CC(C)CCNCCCCCCCCCO 34a_100000078944_100000210312 [0,2,0,0,0,0|0,0,2]=4 16955 B15R0.164 CC(C)CCOCCCCCCCCCBr 34a_100009813782_100000210312 [0,2,0,0,0,0|1,0,1]=4 16956 B15R0.164 CC(C)CCOCCCCCCCCCBr 7a_100009813782_100000210626 [0,2,0,0,0,0|1,0,1]=4 16957 B15R0.164 CC(C)CCOCCCCCCCCCCl 34a_100009868337_100000210312 [0,2,0,0,0,0|1,0,1]=4 16958 B15R0.164 CC(C)CCOCCCCCCCCCCl 7a_100009868337_100000210626 [0,2,0,0,0,0|1,0,1]=4 16959 B15R0.164 CC(C)CCOCCCCCCCCCN 34a_100000078944_100000210312 [0,2,0,0,0,0|1,0,1]=4 16960 B15R0.164 CC(C)CCOCCCCCCCCCO 34a_100000210254_100009813782 [0,2,0,0,0,0|0,0,2]=4 16961 B15R0.164 CC(C)CCOCCCCCCCCCO 7a_100000210254_100009813782 [0,2,0,0,0,0|0,0,2]=4 16962 B15R0.164 CC(C)CCSCCCCCCCCCO 62a_100000210312_100009813782 [0,2,0,0,0,0|0,0,2]=4 16963 B15R0.164 CC(C)CCSCCCCCCCCCO 62a_100009813782_100000210312 [0,2,0,0,0,0|0,0,2]=4 16964 B15R0.164 CC(C)CNCCCCCCCCCCO 2230a_100000066964_100000210760 [0,2,0,0,0,0|0,0,2]=4 16965 B15R0.164 CC(C)CNCCCCCCCCCCO 2230a_100000210953_100009813290 [0,2,0,0,0,0|0,0,2]=4 16966 B15R0.164 CC(C)CNCCCCCCCCCCO 270004a_100000066964_100000210432 [0,2,0,0,0,0|0,0,2]=4 16967 B15R0.164 CC(C)CNCCCCCCCCCCO 34a_100000066964_100000210624 [0,2,0,0,0,0|0,0,2]=4 16968 B15R0.164 CC(C)CNCCCCCCCCCCO 34a_100000210953_100009813290 [0,2,0,0,0,0|0,0,2]=4 16969 B15R0.164 CC(C)COCCCCCCCCCCBr 34a_100009813290_100000210624 [0,2,0,0,0,0|1,0,1]=4 16970 B15R0.164 CC(C)COCCCCCCCCCCBr 7a_100009813290_100000210760 [0,2,0,0,0,0|1,0,1]=4 16971 B15R0.164 CC(C)COCCCCCCCCCCCl 34a_200000033068_100000210624 [0,2,0,0,0,0|1,0,1]=4 16972 B15R0.164 CC(C)COCCCCCCCCCCCl 7a_200000033068_100000210760 [0,2,0,0,0,0|1,0,1]=4 16973 B15R0.164 CC(C)COCCCCCCCCCCN 34a_100000066964_100000210624 [0,2,0,0,0,0|1,0,1]=4 16974 B15R0.164 CC(C)COCCCCCCCCCCO 34a_100000210257_100009813290 [0,2,0,0,0,0|0,0,2]=4 16975 B15R0.164 CC(C)COCCCNCCCCCC=O 2230a_100000205972_100000139337 [0,2,0,0,0,0|1,0,0]=3 16976 B15R0.164 CC(C)CSCCCCCCCCCCO 62a_100000210624_200000033068 [0,2,0,0,0,0|0,0,2]=4 16977 B15R0.164 CC(C)CSCCCCCCCCCCO 62a_100009813290_100000210760 [0,2,0,0,0,0|0,0,2]=4 16978 B15R0.164 CC(C)NCCCCCCCCCCCO 2230a_100138425928_100009812471 [0,2,0,0,0,0|0,0,2]=4 16979 B15R0.164 CC(C)NCCCCCCCCCCCO 34a_100138425928_100009812471 [0,2,0,0,0,0|0,0,2]=4 16980 B15R0.164 CC(C)OCCCCCCCCCCCBr 34a_100009812471_100000210206 [0,2,0,0,0,0|1,0,1]=4 16981 B15R0.164 CC(C)OCCCCCCCCCCCBr 7a_100009812471_100000210206 [0,2,0,0,0,0|1,0,1]=4 16982 B15R0.164 CC(C)OCCCCCCCCCCCO 34a_100000212225_100009812471 [0,2,0,0,0,0|0,0,2]=4 16983 B15R0.164 CC(C)SCCCCCCCCCCCO 62a_100009812471_100000210206 [0,2,0,0,0,0|0,0,2]=4 16984 B15R0.164 CC(F)COCCCCCCCCCCO 34a_100015925927_100009813290 [0,2,0,0,0,0|0,0,2]=4 16985 B15R0.164 CC(O)CCCNCCCCCCCCO 2230a_102515433106_200000718107 [0,2,0,0,0,0|0,0,2]=4 16986 B15R0.164 CC(O)CCCNCCCCCCCCO 34a_102515433106_200000718107 [0,2,0,0,0,0|0,0,2]=4 16987 B15R0.164 CC(O)CCCOCCCCCCCCBr 34a_100009813846_200000718107 [0,2,0,0,0,0|1,0,1]=4 16988 B15R0.164 CC(O)CCCOCCCCCCCCBr 7a_100009813846_200000718107 [0,2,0,0,0,0|1,0,1]=4 16989 B15R0.164 CC(O)CCCOCCCCCCCCCl 34a_100000033203_200000718107 [0,2,0,0,0,0|1,0,1]=4 16990 B15R0.164 CC(O)CCCOCCCCCCCCCl 7a_100000033203_200000718107 [0,2,0,0,0,0|1,0,1]=4 16991 B15R0.164 CC(O)CCCOCCCCCCCCN 34a_102515433106_200000718107 [0,2,0,0,0,0|1,0,1]=4 16992 B15R0.164 CC(O)CCCSCCCCCCCCO 62a_100000033203_200000718107 [0,2,0,0,0,0|0,0,2]=4 16993 B15R0.164 CC(O)CCCSCCCCCCCCO 62a_200000718107_100000033203 [0,2,0,0,0,0|0,0,2]=4 16994 B15R0.164 CC(O)CCNCCCCCCCCCO 2230a_100000078944_100012276601 [0,2,0,0,0,0|0,0,2]=4 16995 B15R0.164 CC(O)CCNCCCCCCCCCO 2230a_200000755665_100009813782 [0,2,0,0,0,0|0,0,2]=4 16996 B15R0.164 CC(O)CCNCCCCCCCCCO 34a_100000078944_100012276601 [0,2,0,0,0,0|0,0,2]=4 16997 B15R0.164 CC(O)CCOCCCCCCCCCBr 34a_100009813782_100012276601 [0,2,0,0,0,0|1,0,1]=4 16998 B15R0.164 CC(O)CCOCCCCCCCCCBr 7a_100009813782_100012276601 [0,2,0,0,0,0|1,0,1]=4 16999 B15R0.164 CC(O)CCOCCCCCCCCCCl 34a_100009868337_100012276601 [0,2,0,0,0,0|1,0,1]=4 17000 B15R0.164 CC(O)CCOCCCCCCCCCCl 7a_100009868337_100012276601 [0,2,0,0,0,0|1,0,1]=4 17001 B15R0.164 CC(O)CCOCCCCCCCCCN 34a_100000078944_100012276601 [0,2,0,0,0,0|1,0,1]=4 17002 B15R0.164 CC(O)CCSCCCCCCCCCO 62a_100009813782_100012276601 [0,2,0,0,0,0|0,0,2]=4 17003 B15R0.164 CC(O)CCSCCCCCCCCCO 62a_100012276601_100009813782 [0,2,0,0,0,0|0,0,2]=4 17004 B15R0.164 CC(O)CNCCCCCCCCCCO 2230a_100000066964_100011218427 [0,2,0,0,0,0|0,0,2]=4 17005 B15R0.164 CC(O)CNCCCCCCCCCCO 2230a_100000210904_100009813290 [0,2,0,0,0,0|0,0,2]=4 17006 B15R0.164 CC(O)CNCCCCCCCCCCO 34a_100000066964_100011218427 [0,2,0,0,0,0|0,0,2]=4 17007 B15R0.164 CC(O)CNCCCCCCCCCCO 34a_100000210904_100009813290 [0,2,0,0,0,0|0,0,2]=4 17008 B15R0.164 CC(O)COCCCCCCCCCCBr 34a_100009813290_100011218427 [0,2,0,0,0,0|1,0,1]=4 17009 B15R0.164 CC(O)COCCCCCCCCCCBr 7a_100009813290_100011218427 [0,2,0,0,0,0|1,0,1]=4 17010 B15R0.164 CC(O)COCCCCCCCCCCCl 34a_200000033068_100011218427 [0,2,0,0,0,0|1,0,1]=4 17011 B15R0.164 CC(O)COCCCCCCCCCCCl 7a_200000033068_100011218427 [0,2,0,0,0,0|1,0,1]=4 17012 B15R0.164 CC(O)COCCCCCCCCCCN 34a_100000066964_100011218427 [0,2,0,0,0,0|1,0,1]=4 17013 B15R0.164 CC(O)CSCCCCCCCCCCO 62a_100009813290_100011218427 [0,2,0,0,0,0|0,0,2]=4 17014 B15R0.164 CC(O)CSCCCCCCCCCCO 62a_100011218427_200000033068 [0,2,0,0,0,0|0,0,2]=4 17015 B15R0.164 CC/C=C/CCCOCCCCCC(=O)N 34a_100016287902_100009817443 [0,2,0,0,0,0|0,0,2]=4 17016 B15R0.164 CC/C=C/CCCOCCCCCC(=O)N 7a_100016287902_100009817443 [0,2,0,0,0,0|0,0,2]=4 17017 B15R0.164 CC/C=C\CCCCCNCCCC(=O)N 269862a_100000739312_100016288537 [0,2,0,0,0,0|0,0,2]=4 17018 B15R0.164 CC/C=C\CCCCCOCCCC(=O)C 34a_100016268722_100000685027 [0,2,0,0,0,0|0,0,2]=4 17019 B15R0.164 CC/C=C\CCCCCOCCCC(=O)C 7a_100016268722_100011215641 [0,2,0,0,0,0|0,0,2]=4 17020 B15R0.164 CC/C=C\CCCCCOCCCC(=O)N 34a_100016268722_100102525003 [0,2,0,0,0,0|0,0,2]=4 17021 B15R0.164 CC/C=C\CCCCCOCCCC(=O)N 7a_100016268722_100102525003 [0,2,0,0,0,0|0,0,2]=4 17022 B15R0.164 CC/C=C\CCCCOCCCCC(=O)C 34a_100016287862_100009817362 [0,2,0,0,0,0|0,0,2]=4 17023 B15R0.164 CC/C=C\CCCCOCCCCC(=O)C 7a_100016287862_100000735457 [0,2,0,0,0,0|0,0,2]=4 17024 B15R0.164 CCC#CCCCCCCOCCC(=O)C 34a_100000759926_200000036426 [0,2,0,0,0,0|0,0,2]=4 17025 B15R0.164 CCC#CCCCCCCOCCC(=O)C 7a_100000759926_200000036426 [0,2,0,0,0,0|0,0,2]=4 17026 B15R0.164 CCC#CCCCCCCOCCC(=O)N 34a_100000757172_200000036426 [0,2,0,0,0,0|0,0,2]=4 17027 B15R0.164 CCC#CCCCCCCOCCC(=O)N 7a_100000757172_200000036426 [0,2,0,0,0,0|0,0,2]=4 17028 B15R0.164 CCC#CCCCCCCSCCC(=O)C 62a_100000053229_200000036426 [0,2,0,0,0,0|0,0,2]=4 17029 B15R0.164 CCC#CCCCCCCSCCC(=O)C 62a_200000036426_100000053229 [0,2,0,0,0,0|0,0,2]=4 17030 B15R0.164 CCC#CCCCCCCSCCC(=O)N 62a_100000744528_200000036426 [0,2,0,0,0,0|0,0,2]=4 17031 B15R0.164 CCC#CCCCCCCSCCC(=O)N 62a_200000036426_100000744528 [0,2,0,0,0,0|0,0,2]=4 17032 B15R0.164 CCCC#CCCOCCCCCC(=O)N 34a_100000042726_100009817443 [0,2,0,0,0,0|0,0,2]=4 17033 B15R0.164 CCCC#CCCOCCCCCC(=O)N 7a_100000042726_100009817443 [0,2,0,0,0,0|0,0,2]=4 17034 B15R0.164 CCCC/C=C/CCCCOCCC(=O)C 7a_200020645093_100000053229 [0,2,0,0,0,0|0,0,2]=4 17035 B15R0.164 CCCC/C=C/CCCCOCCC(=O)N 34a_200020645093_100000731001 [0,2,0,0,0,0|0,0,2]=4 17036 B15R0.164 CCCC/C=C/CCCCOCCC(=O)N 7a_200020645093_100000744528 [0,2,0,0,0,0|0,0,2]=4 17037 B15R0.164 CCCC/C=C/COCCCCCC(=O)N 34a_200016272032_100009817443 [0,2,0,0,0,0|0,0,2]=4 17038 B15R0.164 CCCC/C=C/COCCCCCC(=O)N 7a_200016272032_100009817443 [0,2,0,0,0,0|0,0,2]=4 17039 B15R0.164 CCCC/C=C\CCOCCCCC(=O)C 34a_200016286491_100009817362 [0,2,0,0,0,0|0,0,2]=4 17040 B15R0.164 CCCC/C=C\CCOCCCCC(=O)C 7a_200016286491_100000735457 [0,2,0,0,0,0|0,0,2]=4 17041 B15R0.164 CCCCC#CCCCCOCCC(=O)C 7a_200000066234_100000053229 [0,2,0,0,0,0|0,0,2]=4 17042 B15R0.164 CCCCC#CCCCCOCCC(=O)N 34a_200000066234_100000731001 [0,2,0,0,0,0|0,0,2]=4 17043 B15R0.164 CCCCC#CCCCCOCCC(=O)N 7a_200000066234_100000744528 [0,2,0,0,0,0|0,0,2]=4 17044 B15R0.164 CCCCC#CCCCNCCCC(=O)N 34a_100000739312_200000047210 [0,2,0,0,0,0|0,0,2]=4 17045 B15R0.164 CCCCC#CCCCOCCCC(=O)C 34a_100000759063_200000047210 [0,2,0,0,0,0|0,0,2]=4 17046 B15R0.164 CCCCC#CCCCOCCCC(=O)C 7a_100000759063_200000047210 [0,2,0,0,0,0|0,0,2]=4 17047 B15R0.164 CCCCC#CCCCSCCCC(=O)C 62a_100011215641_200000047210 [0,2,0,0,0,0|0,0,2]=4 17048 B15R0.164 CCCCC#CCCCSCCCC(=O)C 62a_200000047210_100011215641 [0,2,0,0,0,0|0,0,2]=4 17049 B15R0.164 CCCCC#CCCCSCCCC(=O)N 62a_100102525003_200000047210 [0,2,0,0,0,0|0,0,2]=4 17050 B15R0.164 CCCCC#CCCCSCCCC(=O)N 62a_200000047210_100102525003 [0,2,0,0,0,0|0,0,2]=4 17051 B15R0.164 CCCCC#CCCOCCCCC(=O)C 34a_100000037610_100009817362 [0,2,0,0,0,0|0,0,2]=4 17052 B15R0.164 CCCCC#CCCOCCCCC(=O)C 7a_100000037610_100000735457 [0,2,0,0,0,0|0,0,2]=4 17053 B15R0.164 CCCCC#CCOCCCCCC(=O)N 34a_200000034558_100009817443 [0,2,0,0,0,0|0,0,2]=4 17054 B15R0.164 CCCCC#CCOCCCCCC(=O)N 7a_200000034558_100009817443 [0,2,0,0,0,0|0,0,2]=4 17055 B15R0.164 CCCCC/C=C/COCCCCC(=O)C 34a_100016258190_100009817362 [0,2,0,0,0,0|0,0,2]=4 17056 B15R0.164 CCCCC/C=C/COCCCCC(=O)C 7a_100016258190_100000735457 [0,2,0,0,0,0|0,0,2]=4 17057 B15R0.164 CCCCC/C=C\CCCOCCC(=O)C 7a_100020655193_100000053229 [0,2,0,0,0,0|0,0,2]=4 17058 B15R0.164 CCCCC/C=C\CCCOCCC(=O)N 34a_100020655193_100000731001 [0,2,0,0,0,0|0,0,2]=4 17059 B15R0.164 CCCCC/C=C\CCCOCCC(=O)N 7a_100020655193_100000744528 [0,2,0,0,0,0|0,0,2]=4 17060 B15R0.164 CCCCC/C=C\CCOCCCC(=O)C 34a_100016277358_100000685027 [0,2,0,0,0,0|0,0,2]=4 17061 B15R0.164 CCCCC/C=C\CCOCCCC(=O)C 7a_100016277358_100011215641 [0,2,0,0,0,0|0,0,2]=4 17062 B15R0.164 CCCCC/C=C\CCOCCCC(=O)N 34a_100016277358_100102525003 [0,2,0,0,0,0|0,0,2]=4 17063 B15R0.164 CCCCC/C=C\CCOCCCC(=O)N 7a_100016277358_100102525003 [0,2,0,0,0,0|0,0,2]=4 17064 B15R0.164 CCCCCC#CCCOCCCC(=O)C 34a_200000042877_100000685027 [0,2,0,0,0,0|0,0,2]=4 17065 B15R0.164 CCCCCC#CCCOCCCC(=O)C 7a_200000042877_100011215641 [0,2,0,0,0,0|0,0,2]=4 17066 B15R0.164 CCCCCC#CCCOCCCC(=O)N 34a_200000042877_100102525003 [0,2,0,0,0,0|0,0,2]=4 17067 B15R0.164 CCCCCC#CCCOCCCC(=O)N 7a_200000042877_100102525003 [0,2,0,0,0,0|0,0,2]=4 17068 B15R0.164 CCCCCC#CCNCCCCC(=O)N 34a_100000696515_100009816472 [0,2,0,0,0,0|0,0,2]=4 17069 B15R0.164 CCCCCC#CCOCCCCC(=O)C 34a_200000033628_100009817362 [0,2,0,0,0,0|0,0,2]=4 17070 B15R0.164 CCCCCC#CCOCCCCC(=O)C 7a_200000033628_100000735457 [0,2,0,0,0,0|0,0,2]=4 17071 B15R0.164 CCCCCC#CCOCCCCC(=O)N 34a_100012022536_100009816472 [0,2,0,0,0,0|0,0,2]=4 17072 B15R0.164 CCCCCC#CCOCCCCC(=O)N 7a_100012022536_100009816472 [0,2,0,0,0,0|0,0,2]=4 17073 B15R0.164 CCCCCC#CCSCCCCC(=O)C 62a_100000735457_100009816472 [0,2,0,0,0,0|0,0,2]=4 17074 B15R0.164 CCCCCC#CCSCCCCC(=O)C 62a_100009816472_100000735457 [0,2,0,0,0,0|0,0,2]=4 17075 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 34a_200016276170_100000685027 [0,2,0,0,0,0|0,0,2]=4 17076 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 7a_200016276170_100011215641 [0,2,0,0,0,0|0,0,2]=4 17077 B15R0.164 CCCCCC/C=C/COCCCC(=O)N 34a_200016276170_100102525003 [0,2,0,0,0,0|0,0,2]=4 17078 B15R0.164 CCCCCC/C=C/COCCCC(=O)N 7a_200016276170_100102525003 [0,2,0,0,0,0|0,0,2]=4 17079 B15R0.164 CCCCCCC#CCCOCCC(=O)C 7a_200000033163_100000053229 [0,2,0,0,0,0|0,0,2]=4 17080 B15R0.164 CCCCCCC#CCCOCCC(=O)N 34a_200000033163_100000731001 [0,2,0,0,0,0|0,0,2]=4 17081 B15R0.164 CCCCCCC#CCCOCCC(=O)N 7a_200000033163_100000744528 [0,2,0,0,0,0|0,0,2]=4 17082 B15R0.164 CCCCCCC#CCOCCCC(=O)C 34a_200000037284_100000685027 [0,2,0,0,0,0|0,0,2]=4 17083 B15R0.164 CCCCCCC#CCOCCCC(=O)C 7a_200000037284_100011215641 [0,2,0,0,0,0|0,0,2]=4 17084 B15R0.164 CCCCCCC#CCOCCCC(=O)N 34a_200000037284_100102525003 [0,2,0,0,0,0|0,0,2]=4 17085 B15R0.164 CCCCCCC#CCOCCCC(=O)N 7a_200000037284_100102525003 [0,2,0,0,0,0|0,0,2]=4 17086 B15R0.164 CCCCCCCC#CCOCCC(=O)C 7a_200000061759_100000053229 [0,2,0,0,0,0|0,0,2]=4 17087 B15R0.164 CCCCCCCC#CCOCCC(=O)N 34a_200000061759_100000731001 [0,2,0,0,0,0|0,0,2]=4 17088 B15R0.164 CCCCCCCC#CCOCCC(=O)N 7a_200000061759_100000744528 [0,2,0,0,0,0|0,0,2]=4 17089 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 34a_200020667288_100000187820 [0,2,0,0,0,0|0,0,2]=4 17090 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 7a_200020667288_100000187820 [0,2,0,0,0,0|0,0,2]=4 17091 B15R0.164 CCCCCCCC/C=C/COCC(=O)[O-] 34a_200020667288_100020667443 [0,2,0,0,0,0|0,0,2]=4 17092 B15R0.164 CCCCCCCCCCC=NNC(=O)C 4a_100000189765_100011218819 [0,2,0,0,0,0|1,0,1]=4 17093 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000070787_100000210684 [0,2,0,0,0,0|0,0,0]=2 17094 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000756256_200000210301 [0,2,0,0,0,0|0,0,0]=2 17095 B15R0.164 CCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000756256_200025704644 [0,2,0,0,0,0|0,0,0]=2 17096 B15R0.164 CCCCCCCCCCCCCN(C)C 2230a_100102631434_100000210684 [0,2,0,0,0,0|1,0,1]=4 17097 B15R0.164 CCCCCCCCCCCCCN(C)C 269982a_100102631434_100000210684 [0,2,0,0,0,0|1,0,1]=4 17098 B15R0.164 CCCCCCCCCCCCCN(C)C 270004a_100102631434_200011215488 [0,2,0,0,0,0|1,0,1]=4 17099 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [0,2,0,0,0,0|0,0,0]=2 17100 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [0,2,0,0,0,0|0,0,0]=2 17101 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [0,2,0,0,0,0|0,0,0]=2 17102 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [0,2,0,0,0,0|0,0,0]=2 17103 B15R0.164 CCCCCCCCCCCCNC(C)C 2230a_100000210451_100000210206 [0,2,0,0,0,0|1,0,1]=4 17104 B15R0.164 CCCCCCCCCCCCNC(C)C 2230a_100138425928_100011215052 [0,2,0,0,0,0|1,0,1]=4 17105 B15R0.164 CCCCCCCCCCCCNC(C)C 34a_100000210451_100000210206 [0,2,0,0,0,0|1,0,1]=4 17106 B15R0.164 CCCCCCCCCCCCNC(C)C 34a_100138425928_100000759014 [0,2,0,0,0,0|1,0,1]=4 17107 B15R0.164 CCCCCCCCCCCCOC(C)C 34a_100000210810_100000210206 [0,2,0,0,0,0|1,0,1]=4 17108 B15R0.164 CCCCCCCCCCCCOC(C)C 34a_100000212225_100000759014 [0,2,0,0,0,0|1,0,1]=4 17109 B15R0.164 CCCCCCCCCCCCOC(C)C 7a_100000210810_100000210206 [0,2,0,0,0,0|1,0,1]=4 17110 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [0,2,0,0,0,0|0,0,0]=2 17111 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [0,2,0,0,0,0|0,0,0]=2 17112 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [0,2,0,0,0,0|0,0,0]=2 17113 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [0,2,0,0,0,0|0,0,0]=2 17114 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [0,2,0,0,0,0|0,0,0]=2 17115 B15R0.164 CCCCCCCCCCCNCC(C)C 2230a_100000210953_100011215454 [0,2,0,0,0,0|1,0,1]=4 17116 B15R0.164 CCCCCCCCCCCNCC(C)C 2230a_200011215754_100000210760 [0,2,0,0,0,0|1,0,1]=4 17117 B15R0.164 CCCCCCCCCCCNCC(C)C 270004a_200011215754_100000210432 [0,2,0,0,0,0|1,0,1]=4 17118 B15R0.164 CCCCCCCCCCCNCC(C)C 34a_100000210953_100011215454 [0,2,0,0,0,0|1,0,1]=4 17119 B15R0.164 CCCCCCCCCCCNCC(C)C 34a_200011215754_100000210624 [0,2,0,0,0,0|1,0,1]=4 17120 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215454 [0,2,0,0,0,0|0,0,2]=4 17121 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_200011215754_100011218427 [0,2,0,0,0,0|0,0,2]=4 17122 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_100000210904_100011215454 [0,2,0,0,0,0|0,0,2]=4 17123 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_200011215754_100011218427 [0,2,0,0,0,0|0,0,2]=4 17124 B15R0.164 CCCCCCCCCCCNCC(F)F 2230a_200011215754_100011934356 [0,2,0,0,0,0|1,0,1]=4 17125 B15R0.164 CCCCCCCCCCCNCC(F)F 34a_100000765723_100011215454 [0,2,0,0,0,0|1,0,1]=4 17126 B15R0.164 CCCCCCCCCCCNCC(F)F 34a_200011215754_100011934356 [0,2,0,0,0,0|1,0,1]=4 17127 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 2230a_200011215754_100009817552 [0,2,0,0,0,0|0,0,2]=4 17128 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 34a_200011215754_100009817552 [0,2,0,0,0,0|0,0,2]=4 17129 B15R0.164 CCCCCCCCCCCNC[N+](=O)[O-] 34a_200011215754_100000761209 [0,2,0,0,0,0|1,0,0]=3 17130 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [0,2,0,0,0,0|0,0,0]=2 17131 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [0,2,0,0,0,0|0,0,0]=2 17132 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [0,2,0,0,0,0|0,0,0]=2 17133 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [0,2,0,0,0,0|0,0,0]=2 17134 B15R0.164 CCCCCCCCCCCOCC(C)Br 34a_100012180447_100011215454 [0,2,0,0,0,0|1,0,1]=4 17135 B15R0.164 CCCCCCCCCCCOCC(C)C 34a_100000210257_100011215454 [0,2,0,0,0,0|1,0,1]=4 17136 B15R0.164 CCCCCCCCCCCOCC(C)C 34a_100000210809_100000210624 [0,2,0,0,0,0|1,0,1]=4 17137 B15R0.164 CCCCCCCCCCCOCC(C)C 7a_100000210809_100000210760 [0,2,0,0,0,0|1,0,1]=4 17138 B15R0.164 CCCCCCCCCCCOCC(C)F 34a_100015925927_100011215454 [0,2,0,0,0,0|1,0,1]=4 17139 B15R0.164 CCCCCCCCCCCOCC(C)O 34a_100000210809_100011218427 [0,2,0,0,0,0|0,0,2]=4 17140 B15R0.164 CCCCCCCCCCCOCC(C)O 7a_100000210809_100011218427 [0,2,0,0,0,0|0,0,2]=4 17141 B15R0.164 CCCCCCCCCCCOCC(F)F 34a_100000210809_100011934356 [0,2,0,0,0,0|1,0,1]=4 17142 B15R0.164 CCCCCCCCCCCOCC(F)F 34a_100000743014_100011215454 [0,2,0,0,0,0|1,0,1]=4 17143 B15R0.164 CCCCCCCCCCCOCC(F)F 7a_100000210809_100011934356 [0,2,0,0,0,0|1,0,1]=4 17144 B15R0.164 CCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215454 [0,2,0,0,0,0|1,0,1]=4 17145 B15R0.164 CCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011215454 [0,2,0,0,0,0|1,0,1]=4 17146 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 34a_100000210809_100009817552 [0,2,0,0,0,0|0,0,2]=4 17147 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 7a_100000210809_100009817552 [0,2,0,0,0,0|0,0,2]=4 17148 B15R0.164 CCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210809_100000761209 [0,2,0,0,0,0|1,0,0]=3 17149 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [0,2,0,0,0,0|0,0,0]=2 17150 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [0,2,0,0,0,0|0,0,0]=2 17151 B15R0.164 CCCCCCCCCCCSCC(C)C 62a_100000210624_100011215454 [0,2,0,0,0,0|1,0,1]=4 17152 B15R0.164 CCCCCCCCCCCSCC(C)O 62a_100011218427_100011215454 [0,2,0,0,0,0|0,0,2]=4 17153 B15R0.164 CCCCCCCCCCCSCC(F)F 62a_100011934356_100011215454 [0,2,0,0,0,0|1,0,1]=4 17154 B15R0.164 CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011215454 [0,2,0,0,0,0|0,0,2]=4 17155 B15R0.164 CCCCCCCCCCNCC=C(C)C 2230a_100000684558_100000761012 [0,2,0,0,0,0|1,0,1]=4 17156 B15R0.164 CCCCCCCCCCNCC=C(C)C 34a_100000684558_100000761012 [0,2,0,0,0,0|1,0,1]=4 17157 B15R0.164 CCCCCCCCCCNCC=C(C)C 34a_100000718196_100000210320 [0,2,0,0,0,0|1,0,1]=4 17158 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [0,2,0,0,0,0|0,0,0]=2 17159 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [0,2,0,0,0,0|0,0,0]=2 17160 B15R0.164 CCCCCCCCCCNCCC(C)C 2230a_100000684558_100000210312 [0,2,0,0,0,0|1,0,1]=4 17161 B15R0.164 CCCCCCCCCCNCCC(C)C 269862a_100000684558_100000185833 [0,2,0,0,0,0|1,0,1]=4 17162 B15R0.164 CCCCCCCCCCNCCC(C)C 34a_100000684558_100000210312 [0,2,0,0,0,0|1,0,1]=4 17163 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_100000684558_100012276601 [0,2,0,0,0,0|0,0,2]=4 17164 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_200000755665_100000210320 [0,2,0,0,0,0|0,0,2]=4 17165 B15R0.164 CCCCCCCCCCNCCC(C)O 34a_100000684558_100012276601 [0,2,0,0,0,0|0,0,2]=4 17166 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [0,2,0,0,0,0|1,0,0]=3 17167 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [0,2,0,0,0,0|1,0,0]=3 17168 B15R0.164 CCCCCCCCCCOCC=C(C)C 34a_100000210711_100000761012 [0,2,0,0,0,0|1,0,1]=4 17169 B15R0.164 CCCCCCCCCCOCC=C(C)C 34a_100000753907_100000210320 [0,2,0,0,0,0|1,0,1]=4 17170 B15R0.164 CCCCCCCCCCOCC=C(C)C 7a_100000210711_100000761012 [0,2,0,0,0,0|1,0,1]=4 17171 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [0,2,0,0,0,0|0,0,0]=2 17172 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [0,2,0,0,0,0|0,0,0]=2 17173 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [0,2,0,0,0,0|0,0,0]=2 17174 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [0,2,0,0,0,0|0,0,0]=2 17175 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [0,2,0,0,0,0|0,0,0]=2 17176 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [0,2,0,0,0,0|0,0,0]=2 17177 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [0,2,0,0,0,0|0,0,0]=2 17178 B15R0.164 CCCCCCCCCCOCCC(C)Br 34a_100009893172_100000210320 [0,2,0,0,0,0|1,0,1]=4 17179 B15R0.164 CCCCCCCCCCOCCC(C)C 34a_100000210254_100000210320 [0,2,0,0,0,0|1,0,1]=4 17180 B15R0.164 CCCCCCCCCCOCCC(C)C 34a_100000210711_100000210312 [0,2,0,0,0,0|1,0,1]=4 17181 B15R0.164 CCCCCCCCCCOCCC(C)C 7a_100000210254_100000210320 [0,2,0,0,0,0|1,0,1]=4 17182 B15R0.164 CCCCCCCCCCOCCC(C)C 7a_100000210711_100000210626 [0,2,0,0,0,0|1,0,1]=4 17183 B15R0.164 CCCCCCCCCCOCCC(C)O 34a_100000210711_100012276601 [0,2,0,0,0,0|0,0,2]=4 17184 B15R0.164 CCCCCCCCCCOCCC(C)O 7a_100000210711_100012276601 [0,2,0,0,0,0|0,0,2]=4 17185 B15R0.164 CCCCCCCCCCOCCC(F)F 34a_100103093639_100000210320 [0,2,0,0,0,0|1,0,1]=4 17186 B15R0.164 CCCCCCCCCCOCCN(C)C 7a_100000210711_100000755713 [0,2,0,0,0,0|2,0,0]=4 17187 B15R0.164 CCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210320 [0,2,0,0,0,0|1,0,1]=4 17188 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [0,2,0,0,0,0|1,0,0]=3 17189 B15R0.164 CCCCCCCCCCSCC=C(C)C 62a_100000761012_100000210320 [0,2,0,0,0,0|1,0,1]=4 17190 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [0,2,0,0,0,0|0,0,0]=2 17191 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [0,2,0,0,0,0|0,0,0]=2 17192 B15R0.164 CCCCCCCCCCSCCC(C)C 62a_100000210312_100000210320 [0,2,0,0,0,0|1,0,1]=4 17193 B15R0.164 CCCCCCCCCCSCCC(C)O 62a_100012276601_100000210320 [0,2,0,0,0,0|0,0,2]=4 17194 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [0,2,0,0,0,0|1,0,0]=3 17195 B15R0.164 CCCCCCCCCNCCC=C(C)C 2230a_100000212291_100011217483 [0,2,0,0,0,0|1,0,1]=4 17196 B15R0.164 CCCCCCCCCNCCC=C(C)C 34a_100000212291_100011217483 [0,2,0,0,0,0|1,0,1]=4 17197 B15R0.164 CCCCCCCCCNCCC=C(F)F 2230a_100000212291_200009816681 [0,2,0,0,0,0|1,0,1]=4 17198 B15R0.164 CCCCCCCCCNCCC=C(F)F 34a_100000212291_200009816681 [0,2,0,0,0,0|1,0,1]=4 17199 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [0,2,0,0,0,0|0,0,0]=2 17200 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [0,2,0,0,0,0|0,0,0]=2 17201 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [0,2,0,0,0,0|0,0,0]=2 17202 B15R0.164 CCCCCCCCCNCCCC(C)C 2230a_100000212291_100011214892 [0,2,0,0,0,0|1,0,1]=4 17203 B15R0.164 CCCCCCCCCNCCCC(C)C 2230a_200000737386_100011214924 [0,2,0,0,0,0|1,0,1]=4 17204 B15R0.164 CCCCCCCCCNCCCC(C)C 34a_100000212291_100011214892 [0,2,0,0,0,0|1,0,1]=4 17205 B15R0.164 CCCCCCCCCNCCCC(C)C 34a_200000737386_100011214924 [0,2,0,0,0,0|1,0,1]=4 17206 B15R0.164 CCCCCCCCCNCCCC(C)O 2230a_100000212291_200000718107 [0,2,0,0,0,0|0,0,2]=4 17207 B15R0.164 CCCCCCCCCNCCCC(C)O 34a_100000212291_200000718107 [0,2,0,0,0,0|0,0,2]=4 17208 B15R0.164 CCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011214924 [0,2,0,0,0,0|1,0,0]=3 17209 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [0,2,0,0,0,0|1,0,0]=3 17210 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [0,2,0,0,0,0|1,0,0]=3 17211 B15R0.164 CCCCCCCCCNCCNC(=O)N 2230a_100000212291_200000034859 [0,2,0,0,0,0|1,0,0]=3 17212 B15R0.164 CCCCCCCCCNCCNC(=O)N 34a_100020590234_100011214924 [0,2,0,0,0,0|1,0,0]=3 17213 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [0,2,0,0,0,0|1,0,0]=3 17214 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [0,2,0,0,0,0|1,0,0]=3 17215 B15R0.164 CCCCCCCCCOCCC=C(C)C 34a_100000210712_100011217483 [0,2,0,0,0,0|1,0,1]=4 17216 B15R0.164 CCCCCCCCCOCCC=C(C)C 7a_100000210712_100011217483 [0,2,0,0,0,0|1,0,1]=4 17217 B15R0.164 CCCCCCCCCOCCC=C(F)F 34a_100000210712_200009816681 [0,2,0,0,0,0|1,0,1]=4 17218 B15R0.164 CCCCCCCCCOCCC=C(F)F 7a_100000210712_200009816681 [0,2,0,0,0,0|1,0,1]=4 17219 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [0,2,0,0,0,0|0,0,0]=2 17220 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [0,2,0,0,0,0|0,0,0]=2 17221 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [0,2,0,0,0,0|0,0,0]=2 17222 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [0,2,0,0,0,0|0,0,0]=2 17223 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [0,2,0,0,0,0|0,0,0]=2 17224 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [0,2,0,0,0,0|0,0,0]=2 17225 B15R0.164 CCCCCCCCCOCCCC(C)C 34a_100000210712_100011214892 [0,2,0,0,0,0|1,0,1]=4 17226 B15R0.164 CCCCCCCCCOCCCC(C)C 34a_100000210774_100011214924 [0,2,0,0,0,0|1,0,1]=4 17227 B15R0.164 CCCCCCCCCOCCCC(C)C 7a_100000210712_100011214892 [0,2,0,0,0,0|1,0,1]=4 17228 B15R0.164 CCCCCCCCCOCCCC(C)C 7a_100000210774_100000210328 [0,2,0,0,0,0|1,0,1]=4 17229 B15R0.164 CCCCCCCCCOCCCC(C)O 34a_100000210712_200000718107 [0,2,0,0,0,0|0,0,2]=4 17230 B15R0.164 CCCCCCCCCOCCCC(C)O 7a_100000210712_200000718107 [0,2,0,0,0,0|0,0,2]=4 17231 B15R0.164 CCCCCCCCCOCCCN(C)C 7a_100000210712_100000757444 [0,2,0,0,0,0|2,0,0]=4 17232 B15R0.164 CCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011214924 [0,2,0,0,0,0|1,0,0]=3 17233 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [0,2,0,0,0,0|1,0,0]=3 17234 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [0,2,0,0,0,0|1,0,0]=3 17235 B15R0.164 CCCCCCCCCOCCNC(=O)N 34a_100000181757_100011214924 [0,2,0,0,0,0|1,0,0]=3 17236 B15R0.164 CCCCCCCCCOCCNC(=O)N 7a_100000210712_200000034859 [0,2,0,0,0,0|1,0,0]=3 17237 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [0,2,0,0,0,0|1,0,0]=3 17238 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [0,2,0,0,0,0|1,0,0]=3 17239 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [0,2,0,0,0,0|1,0,0]=3 17240 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [0,2,0,0,0,0|1,0,0]=3 17241 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [0,2,0,0,0,0|1,0,0]=3 17242 B15R0.164 CCCCCCCCCSCCC=C(C)C 62a_100011217483_100000210670 [0,2,0,0,0,0|1,0,1]=4 17243 B15R0.164 CCCCCCCCCSCCC=C(F)F 62a_200009816681_100000210670 [0,2,0,0,0,0|1,0,1]=4 17244 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [0,2,0,0,0,0|0,0,0]=2 17245 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [0,2,0,0,0,0|0,0,0]=2 17246 B15R0.164 CCCCCCCCCSCCCC(C)C 62a_100011214892_100000210670 [0,2,0,0,0,0|1,0,1]=4 17247 B15R0.164 CCCCCCCCCSCCCC(C)O 62a_200000718107_100000210670 [0,2,0,0,0,0|0,0,2]=4 17248 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [0,2,0,0,0,0|1,0,0]=3 17249 B15R0.164 CCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210670 [0,2,0,0,0,0|1,0,0]=3 17250 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [0,2,0,0,0,0|1,0,0]=3 17251 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [0,2,0,0,0,0|1,0,0]=3 17252 B15R0.164 CCCCCCCCNCCCCB(O)O 2230a_100000229939_200009817182 [0,2,0,0,0,0|1,0,1]=4 17253 B15R0.164 CCCCCCCCNCCCCB(O)O 34a_100000229939_200009817182 [0,2,0,0,0,0|1,0,1]=4 17254 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [0,2,0,0,0,0|0,0,0]=2 17255 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [0,2,0,0,0,0|0,0,0]=2 17256 B15R0.164 CCCCCCCCNCCCCC(C)C 2230a_100000229939_100011216152 [0,2,0,0,0,0|1,0,1]=4 17257 B15R0.164 CCCCCCCCNCCCCC(C)C 34a_100000229939_100011216152 [0,2,0,0,0,0|1,0,1]=4 17258 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [0,2,0,0,0,0|1,0,0]=3 17259 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [0,2,0,0,0,0|1,0,0]=3 17260 B15R0.164 CCCCCCCCNCCCOC(=S)C 2230a_100000229939_200135323944 [0,2,0,0,0,0|1,1,0]=4 17261 B15R0.164 CCCCCCCCNCCCOC(=S)C 34a_100000229939_200135323944 [0,2,0,0,0,0|1,1,0]=4 17262 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [0,2,0,0,0,0|1,0,0]=3 17263 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [0,2,0,0,0,0|1,0,0]=3 17264 B15R0.164 CCCCCCCCNCCOCC(=O)N 2230a_100000229939_100000076697 [0,2,0,0,0,0|1,0,0]=3 17265 B15R0.164 CCCCCCCCNCCOCC(=O)N 34a_100000229939_100000076697 [0,2,0,0,0,0|1,0,0]=3 17266 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [0,2,0,0,0,0|1,0,0]=3 17267 B15R0.164 CCCCCCCCOCCCCB(O)O 34a_100000210232_200009817182 [0,2,0,0,0,0|1,0,1]=4 17268 B15R0.164 CCCCCCCCOCCCCB(O)O 7a_100000210232_200009817182 [0,2,0,0,0,0|1,0,1]=4 17269 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [0,2,0,0,0,0|0,0,0]=2 17270 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [0,2,0,0,0,0|0,0,0]=2 17271 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [0,2,0,0,0,0|0,0,0]=2 17272 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [0,2,0,0,0,0|0,0,0]=2 17273 B15R0.164 CCCCCCCCOCCCCC(C)C 34a_100000210232_100011216152 [0,2,0,0,0,0|1,0,1]=4 17274 B15R0.164 CCCCCCCCOCCCCC(C)C 34a_100011214890_100000210759 [0,2,0,0,0,0|1,0,1]=4 17275 B15R0.164 CCCCCCCCOCCCCC(C)C 7a_100000210232_100011216152 [0,2,0,0,0,0|1,0,1]=4 17276 B15R0.164 CCCCCCCCOCCCCC(C)C 7a_100011214890_100000210759 [0,2,0,0,0,0|1,0,1]=4 17277 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210759 [0,2,0,0,0,0|1,0,0]=3 17278 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210759 [0,2,0,0,0,0|1,0,0]=3 17279 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [0,2,0,0,0,0|1,0,0]=3 17280 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [0,2,0,0,0,0|1,0,0]=3 17281 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [0,2,0,0,0,0|1,0,0]=3 17282 B15R0.164 CCCCCCCCOCCCOC(=S)C 34a_100000210232_200135323944 [0,2,0,0,0,0|1,1,0]=4 17283 B15R0.164 CCCCCCCCOCCCOC(=S)C 7a_100000210232_200135323944 [0,2,0,0,0,0|1,1,0]=4 17284 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [0,2,0,0,0,0|1,0,0]=3 17285 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [0,2,0,0,0,0|1,0,0]=3 17286 B15R0.164 CCCCCCCCOCCOCC(=O)N 34a_100000210232_100000076697 [0,2,0,0,0,0|1,0,0]=3 17287 B15R0.164 CCCCCCCCOCCOCC(=O)N 7a_100000210232_100000076697 [0,2,0,0,0,0|1,0,0]=3 17288 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_100000210759_200009817182 [0,2,0,0,0,0|1,0,1]=4 17289 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_200009817182_100000210317 [0,2,0,0,0,0|1,0,1]=4 17290 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [0,2,0,0,0,0|0,0,0]=2 17291 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [0,2,0,0,0,0|0,0,0]=2 17292 B15R0.164 CCCCCCCCSCCCCC(C)C 62a_100000210759_100011216152 [0,2,0,0,0,0|1,0,1]=4 17293 B15R0.164 CCCCCCCCSCCCCC(C)C 62a_100011216152_100000210317 [0,2,0,0,0,0|1,0,1]=4 17294 B15R0.164 CCCCCCCCSCCCCN(C)C 62a_100000210759_100000690147 [0,2,0,0,0,0|2,0,0]=4 17295 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [0,2,0,0,0,0|1,0,0]=3 17296 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [0,2,0,0,0,0|1,0,0]=3 17297 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_100000210759_200135323944 [0,2,0,0,0,0|1,1,0]=4 17298 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210317 [0,2,0,0,0,0|1,1,0]=4 17299 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [0,2,0,0,0,0|1,0,0]=3 17300 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [0,2,0,0,0,0|1,0,0]=3 17301 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210317 [0,2,0,0,0,0|1,0,0]=3 17302 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000210759_100000076697 [0,2,0,0,0,0|1,0,0]=3 17303 B15R0.164 CCCCCCCNCCCCCB(O)O 2230a_100000229938_200009817188 [0,2,0,0,0,0|1,0,1]=4 17304 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [0,2,0,0,0,0|0,0,0]=2 17305 B15R0.164 CCCCCCCNCCCCCC(C)C 2230a_100000229938_100000210682 [0,2,0,0,0,0|1,0,1]=4 17306 B15R0.164 CCCCCCCNCCCCCC(C)C 2230a_100011290863_100000210681 [0,2,0,0,0,0|1,0,1]=4 17307 B15R0.164 CCCCCCCNCCCCCC(C)C 34a_100011290863_100000210614 [0,2,0,0,0,0|1,0,1]=4 17308 B15R0.164 CCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210681 [0,2,0,0,0,0|1,0,0]=3 17309 B15R0.164 CCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210614 [0,2,0,0,0,0|1,0,0]=3 17310 B15R0.164 CCCCCCCNCCCCSC(=O)C 2230a_100000229938_200010402107 [0,2,0,0,0,0|1,0,0]=3 17311 B15R0.164 CCCCCCCOCCCCCB(O)O 34a_100000210272_200009817188 [0,2,0,0,0,0|1,0,1]=4 17312 B15R0.164 CCCCCCCOCCCCCB(O)O 7a_100000210272_200009817188 [0,2,0,0,0,0|1,0,1]=4 17313 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [0,2,0,0,0,0|0,0,0]=2 17314 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [0,2,0,0,0,0|0,0,0]=2 17315 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [0,2,0,0,0,0|0,0,0]=2 17316 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [0,2,0,0,0,0|0,0,0]=2 17317 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [0,2,0,0,0,0|0,0,0]=2 17318 B15R0.164 CCCCCCCOCCCCCC(C)C 34a_100000210272_100000210682 [0,2,0,0,0,0|1,0,1]=4 17319 B15R0.164 CCCCCCCOCCCCCC(C)C 34a_100011995859_100000210614 [0,2,0,0,0,0|1,0,1]=4 17320 B15R0.164 CCCCCCCOCCCCCC(C)C 7a_100000210272_100000210682 [0,2,0,0,0,0|1,0,1]=4 17321 B15R0.164 CCCCCCCOCCCCCC(C)C 7a_100011995859_100000210614 [0,2,0,0,0,0|1,0,1]=4 17322 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210614 [0,2,0,0,0,0|1,0,0]=3 17323 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000210272_100000033659 [0,2,0,0,0,0|1,0,0]=3 17324 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210614 [0,2,0,0,0,0|1,0,0]=3 17325 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000210272_100000033659 [0,2,0,0,0,0|1,0,0]=3 17326 B15R0.164 CCCCCCCOCCCCO[N+](=O)[O-] 34a_100000210272_100015694321 [0,2,0,0,0,0|2,0,0]=4 17327 B15R0.164 CCCCCCCOCCCCO[N+](=O)[O-] 7a_100000210272_100015694321 [0,2,0,0,0,0|2,0,0]=4 17328 B15R0.164 CCCCCCCOCCCCSC(=O)C 34a_100000210272_200010402107 [0,2,0,0,0,0|1,0,0]=3 17329 B15R0.164 CCCCCCCOCCCCSC(=O)C 7a_100000210272_200010402107 [0,2,0,0,0,0|1,0,0]=3 17330 B15R0.164 CCCCCCCOCOCCOC(=O)C 34a_100000210272_100000076355 [0,2,0,0,0,0|2,0,0]=4 17331 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_100000210614_200009817188 [0,2,0,0,0,0|1,0,1]=4 17332 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_200009817188_100000210316 [0,2,0,0,0,0|1,0,1]=4 17333 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [0,2,0,0,0,0|0,0,0]=2 17334 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [0,2,0,0,0,0|0,0,0]=2 17335 B15R0.164 CCCCCCCSCCCCCC(C)C 62a_100000210614_100000210682 [0,2,0,0,0,0|1,0,1]=4 17336 B15R0.164 CCCCCCCSCCCCCC(C)C 62a_100000210682_100000210316 [0,2,0,0,0,0|1,0,1]=4 17337 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210316 [0,2,0,0,0,0|1,0,0]=3 17338 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000210614_100000033659 [0,2,0,0,0,0|1,0,0]=3 17339 B15R0.164 CCCCCCCSCCCCO[N+](=O)[O-] 62a_100000210614_100015694321 [0,2,0,0,0,0|2,0,0]=4 17340 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_100000210614_200010402107 [0,2,0,0,0,0|1,0,0]=3 17341 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210316 [0,2,0,0,0,0|1,0,0]=3 17342 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210316 [0,2,0,0,0,0|2,0,0]=4 17343 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000210614_100000076355 [0,2,0,0,0,0|2,0,0]=4 17344 B15R0.164 CCCCCCNCCCCCCB(O)O 2230a_100000210581_100009817187 [0,2,0,0,0,0|1,0,1]=4 17345 B15R0.164 CCCCCCNCCCCCCC(C)C 2230a_100000211014_100000210314 [0,2,0,0,0,0|1,0,1]=4 17346 B15R0.164 CCCCCCNCCCCCCC(C)C 34a_100000211014_100000210314 [0,2,0,0,0,0|1,0,1]=4 17347 B15R0.164 CCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210314 [0,2,0,0,0,0|1,0,0]=3 17348 B15R0.164 CCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210314 [0,2,0,0,0,0|1,0,0]=3 17349 B15R0.164 CCCCCCNCCCCCOC(=O)C 2230a_100000210581_100009813381 [0,2,0,0,0,0|1,0,0]=3 17350 B15R0.164 CCCCCCNCCOCCOC(=O)C 2230a_100000210581_200000083610 [0,2,0,0,0,0|2,0,0]=4 17351 B15R0.164 CCCCCCOCCCCCCB(O)O 34a_100000210259_100009817187 [0,2,0,0,0,0|1,0,1]=4 17352 B15R0.164 CCCCCCOCCCCCCB(O)O 7a_100000210259_100009817187 [0,2,0,0,0,0|1,0,1]=4 17353 B15R0.164 CCCCCCOCCCCCOC(=O)C 34a_100000210259_100000033007 [0,2,0,0,0,0|1,0,0]=3 17354 B15R0.164 CCCCCCOCCCCCOC(=O)C 7a_100000210259_100000033007 [0,2,0,0,0,0|1,0,0]=3 17355 B15R0.164 CCCCCCOCCOCCCC(=O)C 34a_100000691444_100000685027 [0,2,0,0,0,0|1,0,0]=3 17356 B15R0.164 CCCCCCOCCOCCCC(=O)C 7a_100000691444_100011215641 [0,2,0,0,0,0|1,0,0]=3 17357 B15R0.164 CCCCCCOCCOCCCC(=O)N 34a_100000691444_100102525003 [0,2,0,0,0,0|1,0,0]=3 17358 B15R0.164 CCCCCCOCCOCCCC(=O)N 7a_100000691444_100102525003 [0,2,0,0,0,0|1,0,0]=3 17359 B15R0.164 CCCCCCOCCOCCNC(=O)C 7a_100000691444_100000189650 [0,2,0,0,0,0|2,0,0]=4 17360 B15R0.164 CCCCCCOCCOCCNC(=O)N 7a_100000691444_200000034859 [0,2,0,0,0,0|2,0,0]=4 17361 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000210259_200000083610 [0,2,0,0,0,0|2,0,0]=4 17362 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000691444_100009814007 [0,2,0,0,0,0|2,0,0]=4 17363 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000210259_200000083610 [0,2,0,0,0,0|2,0,0]=4 17364 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000691444_100009814007 [0,2,0,0,0,0|2,0,0]=4 17365 B15R0.164 CCCCCCOCCOCCOC(=O)N 34a_100000691444_200011214921 [0,2,0,0,0,0|2,0,0]=4 17366 B15R0.164 CCCCCCOCCOCCOC(=O)N 7a_100000691444_200011214921 [0,2,0,0,0,0|2,0,0]=4 17367 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100000210314_100009817187 [0,2,0,0,0,0|1,0,1]=4 17368 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100009817187_100000210757 [0,2,0,0,0,0|1,0,1]=4 17369 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210757 [0,2,0,0,0,0|1,0,0]=3 17370 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000210314_100000033007 [0,2,0,0,0,0|1,0,0]=3 17371 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_100000210314_200000083610 [0,2,0,0,0,0|2,0,0]=4 17372 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210757 [0,2,0,0,0,0|2,0,0]=4 17373 B15R0.164 CCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210326 [0,2,0,0,0,0|1,0,0]=3 17374 B15R0.164 CCCCCNCCCCCCNC(=O)C 34a_200011996284_100000718602 [0,2,0,0,0,0|1,0,0]=3 17375 B15R0.164 CCCCCNCCOCCCCC(=O)C 34a_100000224656_100009817362 [0,2,0,0,0,0|1,0,0]=3 17376 B15R0.164 CCCCCNCCOCCCOC(=O)C 34a_100000224656_100000042594 [0,2,0,0,0,0|2,0,0]=4 17377 B15R0.164 CCCCCNCCOCCCSC(=O)C 34a_100000224656_100000038929 [0,2,0,0,0,0|2,0,0]=4 17378 B15R0.164 CCCCCNCCOCCOCC(=O)N 34a_100000224656_100000076697 [0,2,0,0,0,0|2,0,0]=4 17379 B15R0.164 CCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210326 [0,2,0,0,0,0|2,0,0]=4 17380 B15R0.164 CCCCCOCCCCCCCC(C)C 34a_200000210741_100000718602 [0,2,0,0,0,0|1,0,1]=4 17381 B15R0.164 CCCCCOCCCCCCCC(C)C 7a_200000210741_100000210326 [0,2,0,0,0,0|1,0,1]=4 17382 B15R0.164 CCCCCOCCOCCCCC(=O)C 34a_100011215259_100009817362 [0,2,0,0,0,0|1,0,0]=3 17383 B15R0.164 CCCCCOCCOCCCCC(=O)C 7a_100011215259_100000735457 [0,2,0,0,0,0|1,0,0]=3 17384 B15R0.164 CCCCCOCCOCCCOC(=O)C 34a_100011215259_100000042594 [0,2,0,0,0,0|2,0,0]=4 17385 B15R0.164 CCCCCOCCOCCCOC(=O)C 7a_100011215259_100000042594 [0,2,0,0,0,0|2,0,0]=4 17386 B15R0.164 CCCCCOCCOCCCSC(=O)C 34a_100011215259_100000038929 [0,2,0,0,0,0|2,0,0]=4 17387 B15R0.164 CCCCCOCCOCCCSC(=O)C 7a_100011215259_100000038929 [0,2,0,0,0,0|2,0,0]=4 17388 B15R0.164 CCCCCOCCOCCOCC(=O)N 34a_100011215259_100000076697 [0,2,0,0,0,0|2,0,0]=4 17389 B15R0.164 CCCCCOCCOCCOCC(=O)N 7a_100011215259_100000076697 [0,2,0,0,0,0|2,0,0]=4 17390 B15R0.164 CCCCNCCCCOCCCC(=O)C 34a_200011216965_100000685027 [0,2,0,0,0,0|1,0,0]=3 17391 B15R0.164 CCCCNCCCCOCCCC(=O)N 34a_200011216965_100102525003 [0,2,0,0,0,0|1,0,0]=3 17392 B15R0.164 CCCCNCCCCOCCOC(=O)C 34a_200011216965_100009814007 [0,2,0,0,0,0|2,0,0]=4 17393 B15R0.164 CCCCNCCCCOCCOC(=O)N 34a_200011216965_200011214921 [0,2,0,0,0,0|2,0,0]=4 17394 B15R0.164 CCCCOCCCCOCCCC(=O)C 34a_200000760531_100000685027 [0,2,0,0,0,0|1,0,0]=3 17395 B15R0.164 CCCCOCCCCOCCCC(=O)C 7a_200000760531_100011215641 [0,2,0,0,0,0|1,0,0]=3 17396 B15R0.164 CCCCOCCCCOCCCC(=O)N 34a_200000760531_100102525003 [0,2,0,0,0,0|1,0,0]=3 17397 B15R0.164 CCCCOCCCCOCCCC(=O)N 7a_200000760531_100102525003 [0,2,0,0,0,0|1,0,0]=3 17398 B15R0.164 CCCCOCCCCOCCNC(=O)C 7a_200000760531_100000189650 [0,2,0,0,0,0|2,0,0]=4 17399 B15R0.164 CCCCOCCCCOCCNC(=O)N 7a_200000760531_200000034859 [0,2,0,0,0,0|2,0,0]=4 17400 B15R0.164 CCCCOCCCCOCCOC(=O)C 34a_200000760531_100009814007 [0,2,0,0,0,0|2,0,0]=4 17401 B15R0.164 CCCCOCCCCOCCOC(=O)C 7a_200000760531_100009814007 [0,2,0,0,0,0|2,0,0]=4 17402 B15R0.164 CCCCOCCCCOCCOC(=O)N 34a_200000760531_200011214921 [0,2,0,0,0,0|2,0,0]=4 17403 B15R0.164 CCCCOCCCCOCCOC(=O)N 7a_200000760531_200011214921 [0,2,0,0,0,0|2,0,0]=4 17404 B15R0.164 CCCCOCCCNCCCCC(=O)C 34a_200000211371_100009817362 [0,2,0,0,0,0|1,0,0]=3 17405 B15R0.164 CCCCOCCCNCCCOC(=O)C 34a_200000211371_100000042594 [0,2,0,0,0,0|2,0,0]=4 17406 B15R0.164 CCCCOCCCNCCCSC(=O)C 2230a_200000211371_100000038929 [0,2,0,0,0,0|2,0,0]=4 17407 B15R0.164 CCCCOCCCNCCCSC(=O)C 34a_200000211371_100000038929 [0,2,0,0,0,0|2,0,0]=4 17408 B15R0.164 CCCCOCCCNCCOCC(=O)N 2230a_200000211371_100000076697 [0,2,0,0,0,0|2,0,0]=4 17409 B15R0.164 CCCCOCCCNCCOCC(=O)N 34a_200000211371_100000076697 [0,2,0,0,0,0|2,0,0]=4 17410 B15R0.164 CCCCOCCCOCCCCC(=O)C 34a_200011215613_100009817362 [0,2,0,0,0,0|1,0,0]=3 17411 B15R0.164 CCCCOCCCOCCCCC(=O)C 7a_200011215613_100000735457 [0,2,0,0,0,0|1,0,0]=3 17412 B15R0.164 CCCCOCCCOCCCOC(=O)C 34a_200011215613_100000042594 [0,2,0,0,0,0|2,0,0]=4 17413 B15R0.164 CCCCOCCCOCCCOC(=O)C 7a_200011215613_100000042594 [0,2,0,0,0,0|2,0,0]=4 17414 B15R0.164 CCCCOCCCOCCCSC(=O)C 34a_200011215613_100000038929 [0,2,0,0,0,0|2,0,0]=4 17415 B15R0.164 CCCCOCCCOCCCSC(=O)C 7a_200011215613_100000038929 [0,2,0,0,0,0|2,0,0]=4 17416 B15R0.164 CCCCOCCCOCCOCC(=O)N 34a_200011215613_100000076697 [0,2,0,0,0,0|2,0,0]=4 17417 B15R0.164 CCCCOCCCOCCOCC(=O)N 7a_200011215613_100000076697 [0,2,0,0,0,0|2,0,0]=4 17418 B15R0.164 CCCCOCCNCCCCNC(=O)C 2230a_200011368371_100000743108 [0,2,0,0,0,0|2,0,0]=4 17419 B15R0.164 CCCCOCCNCCCCNC(=O)C 34a_200011368371_100000743108 [0,2,0,0,0,0|2,0,0]=4 17420 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000123541_100000743108 [0,2,0,0,0,0|1,0,0]=3 17421 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000210238_100009817443 [0,2,0,0,0,0|1,0,0]=3 17422 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000123541_100000743108 [0,2,0,0,0,0|1,0,0]=3 17423 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000210238_100009817443 [0,2,0,0,0,0|1,0,0]=3 17424 B15R0.164 CCCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000743108 [0,2,0,0,0,0|1,0,0]=3 17425 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000073216_100000743108 [0,2,0,0,0,0|2,0,0]=4 17426 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000210238_100000033659 [0,2,0,0,0,0|2,0,0]=4 17427 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000073216_100000743108 [0,2,0,0,0,0|2,0,0]=4 17428 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000210238_100000033659 [0,2,0,0,0,0|2,0,0]=4 17429 B15R0.164 CCCCOCCOCCCCSC(=O)C 34a_100000210238_200010402107 [0,2,0,0,0,0|2,0,0]=4 17430 B15R0.164 CCCCOCCOCCCCSC(=O)C 7a_100000210238_200010402107 [0,2,0,0,0,0|2,0,0]=4 17431 B15R0.164 CCCCOCCOCCOCCC(=O)C 7a_100011215186_100000053229 [0,2,0,0,0,0|2,0,0]=4 17432 B15R0.164 CCCCOCCOCCOCCC(=O)N 34a_100011215186_100000731001 [0,2,0,0,0,0|2,0,0]=4 17433 B15R0.164 CCCCOCCOCCOCCC(=O)N 7a_100011215186_100000744528 [0,2,0,0,0,0|2,0,0]=4 17434 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100000743108_100009817443 [0,2,0,0,0,0|1,0,0]=3 17435 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100009817443_100000743108 [0,2,0,0,0,0|1,0,0]=3 17436 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000033659_100000743108 [0,2,0,0,0,0|2,0,0]=4 17437 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000743108_100000033659 [0,2,0,0,0,0|2,0,0]=4 17438 B15R0.164 CCCCOCCSCCCCSC(=O)C 62a_100000743108_200010402107 [0,2,0,0,0,0|2,0,0]=4 17439 B15R0.164 CCCCOCCSCCCCSC(=O)C 62a_200010402107_100000743108 [0,2,0,0,0,0|2,0,0]=4 17440 B15R0.164 CCCCOCNCCCCCNC(=O)C 2230a_200012022750_100011995733 [0,2,0,0,0,0|2,0,0]=4 17441 B15R0.164 CCCCOCNCCCCCNC(=O)C 34a_200012022750_100011995733 [0,2,0,0,0,0|2,0,0]=4 17442 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100000033007_100011995733 [0,2,0,0,0,0|2,0,0]=4 17443 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100011995733_100000033007 [0,2,0,0,0,0|2,0,0]=4 17444 B15R0.164 CCCCSCCNCCCCCC(=O)N 2230a_100025743550_100009817443 [0,2,0,0,0,0|1,0,0]=3 17445 B15R0.164 CCCCSCCNCCCCSC(=O)C 2230a_100025743550_200010402107 [0,2,0,0,0,0|2,0,0]=4 17446 B15R0.164 CCCCSCCOCCCCCC(=O)N 34a_200000230436_100009817443 [0,2,0,0,0,0|1,0,0]=3 17447 B15R0.164 CCCCSCCOCCCCCC(=O)N 7a_200000230436_100009817443 [0,2,0,0,0,0|1,0,0]=3 17448 B15R0.164 CCCCSCCOCCCCOC(=O)C 34a_200000230436_100000033659 [0,2,0,0,0,0|2,0,0]=4 17449 B15R0.164 CCCCSCCOCCCCOC(=O)C 7a_200000230436_100000033659 [0,2,0,0,0,0|2,0,0]=4 17450 B15R0.164 CCCCSCCOCCCCSC(=O)C 34a_200000230436_200010402107 [0,2,0,0,0,0|2,0,0]=4 17451 B15R0.164 CCCCSCCOCCCCSC(=O)C 7a_200000230436_200010402107 [0,2,0,0,0,0|2,0,0]=4 17452 B15R0.164 CCCOCCCNCCCCCC(=O)N 2230a_100011217757_100009817443 [0,2,0,0,0,0|1,0,0]=3 17453 B15R0.164 CCCOCCCNCCCCCC(=O)N 34a_100011217757_100009817443 [0,2,0,0,0,0|1,0,0]=3 17454 B15R0.164 CCCOCCCNCCCCOC(=O)C 34a_100011217757_100000033659 [0,2,0,0,0,0|2,0,0]=4 17455 B15R0.164 CCCOCCCNCCCCSC(=O)C 2230a_100011217757_200010402107 [0,2,0,0,0,0|2,0,0]=4 17456 B15R0.164 CCCOCCCNCCCCSC(=O)C 34a_100011217757_200010402107 [0,2,0,0,0,0|2,0,0]=4 17457 B15R0.164 CCCOCCNCCCCCNC(=O)C 2230a_200012022750_100011215938 [0,2,0,0,0,0|2,0,0]=4 17458 B15R0.164 CCCOCCNCCCCCNC(=O)C 34a_200012022750_100011215938 [0,2,0,0,0,0|2,0,0]=4 17459 B15R0.164 CCCOCCNCCCCCOC(=O)C 2230a_100161115042_100009813381 [0,2,0,0,0,0|2,0,0]=4 17460 B15R0.164 CCCOCCNCCCCCOC(=O)C 34a_100161115042_100000033007 [0,2,0,0,0,0|2,0,0]=4 17461 B15R0.164 CCCOCCOCCCCCOC(=O)C 34a_100000752267_100000033007 [0,2,0,0,0,0|2,0,0]=4 17462 B15R0.164 CCCOCCOCCCCCOC(=O)C 7a_100000752267_100000033007 [0,2,0,0,0,0|2,0,0]=4 17463 B15R0.164 CCCOCCOCCNCCCC(=O)C 34a_200011904461_100000685027 [0,2,0,0,0,0|2,0,0]=4 17464 B15R0.164 CCCOCCOCCNCCCC(=O)N 34a_200011904461_100102525003 [0,2,0,0,0,0|2,0,0]=4 17465 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100000033007_100011215938 [0,2,0,0,0,0|2,0,0]=4 17466 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100011215938_100000033007 [0,2,0,0,0,0|2,0,0]=4 17467 B15R0.164 CCCSCCNCCCCCOC(=O)C 2230a_100020603323_100009813381 [0,2,0,0,0,0|2,0,0]=4 17468 B15R0.164 CCCSCCOCCCCCOC(=O)C 34a_200000230433_100000033007 [0,2,0,0,0,0|2,0,0]=4 17469 B15R0.164 CCCSCCOCCCCCOC(=O)C 7a_200000230433_100000033007 [0,2,0,0,0,0|2,0,0]=4 17470 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [0,2,0,0,0,0|0,0,0]=2 17471 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [0,2,0,0,0,0|0,0,0]=2 17472 B15R0.164 CCOCCCNCCCCCNC(=O)C 2230a_200012022750_100012232248 [0,2,0,0,0,0|2,0,0]=4 17473 B15R0.164 CCOCCCNCCCCCNC(=O)C 34a_200012022750_100012232248 [0,2,0,0,0,0|2,0,0]=4 17474 B15R0.164 CCOCCCNCCCCCOC(=O)C 2230a_100000210961_100009813381 [0,2,0,0,0,0|2,0,0]=4 17475 B15R0.164 CCOCCCNCCCCCOC(=O)C 34a_100000210961_100000033007 [0,2,0,0,0,0|2,0,0]=4 17476 B15R0.164 CCOCCCOCCCCCOC(=O)C 34a_100000757476_100000033007 [0,2,0,0,0,0|2,0,0]=4 17477 B15R0.164 CCOCCCOCCCCCOC(=O)C 7a_100000757476_100000033007 [0,2,0,0,0,0|2,0,0]=4 17478 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100000033007_100012232248 [0,2,0,0,0,0|2,0,0]=4 17479 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100012232248_100000033007 [0,2,0,0,0,0|2,0,0]=4 17480 B15R0.164 CCOCCNCCCCCCNC(=O)C 2230a_200011996284_100011215890 [0,2,0,0,0,0|2,0,0]=4 17481 B15R0.164 CCOCCNCCCCCCNC(=O)C 34a_200011996284_100000210147 [0,2,0,0,0,0|2,0,0]=4 17482 B15R0.164 CCOCCOCCNCCCCC(=O)C 34a_100102712874_100009817362 [0,2,0,0,0,0|2,0,0]=4 17483 B15R0.164 CCOCCOCCNCCCCC(=O)N 34a_100000696515_100011211534 [0,2,0,0,0,0|2,0,0]=4 17484 B15R0.164 CCOCCOCCOCCCCC(=O)C 34a_100000210240_100009817362 [0,2,0,0,0,0|2,0,0]=4 17485 B15R0.164 CCOCCOCCOCCCCC(=O)C 7a_100000210240_100000735457 [0,2,0,0,0,0|2,0,0]=4 17486 B15R0.164 CCOCCOCCOCCCCC(=O)N 34a_100012022536_100011211534 [0,2,0,0,0,0|2,0,0]=4 17487 B15R0.164 CCOCCOCCOCCCCC(=O)N 7a_100012022536_100011211534 [0,2,0,0,0,0|2,0,0]=4 17488 B15R0.164 CCOCCOCCSCCCCC(=O)C 62a_100000735457_100011211534 [0,2,0,0,0,0|2,0,0]=4 17489 B15R0.164 CCOCCOCCSCCCCC(=O)C 62a_100011211534_100000735457 [0,2,0,0,0,0|2,0,0]=4 17490 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [0,2,0,0,0,0|0,0,0]=2 17491 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [0,2,0,0,0,0|0,0,0]=2 17492 B15R0.164 CCSCCCOCCCCCOC(=O)C 34a_100011216438_100000033007 [0,2,0,0,0,0|2,0,0]=4 17493 B15R0.164 CCSCCCOCCCCCOC(=O)C 7a_100011216438_100000033007 [0,2,0,0,0,0|2,0,0]=4 17494 B15R0.164 CCSCCNCCCCCCNC(=O)C 2230a_200011996284_100000757381 [0,2,0,0,0,0|2,0,0]=4 17495 B15R0.164 CCSCCNCCCCCCNC(=O)C 34a_200011996284_100000757381 [0,2,0,0,0,0|2,0,0]=4 17496 B15R0.164 CN(C)CCCCCCCCCCCCO 2230a_100102631434_100009813331 [0,2,0,0,0,0|0,0,2]=4 17497 B15R0.164 CN(C)CCCCCCCCCCCCO 269982a_100102631434_100009813331 [0,2,0,0,0,0|0,0,2]=4 17498 B15R0.164 CNCCCCCOCCCCCC(=O)N 34a_100000722520_100009817443 [0,2,0,0,0,0|1,0,0]=3 17499 B15R0.164 CNCCCCCOCCCCCC(C)C 34a_100000722520_100000210682 [0,2,0,0,0,0|2,0,0]=4 17500 B15R0.164 CNCCCCCOCCCCOC(=O)C 34a_100000722520_100000033659 [0,2,0,0,0,0|2,0,0]=4 17501 B15R0.164 CNCCCCCOCCCCSC(=O)C 34a_100000722520_200010402107 [0,2,0,0,0,0|2,0,0]=4 17502 B15R0.164 CNCCOCCOCCCCCC(=O)N 34a_100000228057_100009817443 [0,2,0,0,0,0|2,0,0]=4 17503 B15R0.164 COCCCCCCNCCCCC(=O)N 34a_100000696515_100011998445 [0,2,0,0,0,0|1,0,0]=3 17504 B15R0.164 COCCCCCCNCCCNC(=O)C 34a_100000736810_100011998445 [0,2,0,0,0,0|2,0,0]=4 17505 B15R0.164 COCCCCCCNCCOCC(=O)O 269956a_100000700818_100011998445 [0,2,0,0,0,0|2,0,0]=4 17506 B15R0.164 COCCCCCCOCCCCC(=O)C 34a_200012092642_100009817362 [0,2,0,0,0,0|1,0,0]=3 17507 B15R0.164 COCCCCCCOCCCCC(=O)C 7a_200012092642_100000735457 [0,2,0,0,0,0|1,0,0]=3 17508 B15R0.164 COCCCCCCOCCCCC(=O)N 34a_100012022536_100011998445 [0,2,0,0,0,0|1,0,0]=3 17509 B15R0.164 COCCCCCCOCCCCC(=O)N 7a_100012022536_100011998445 [0,2,0,0,0,0|1,0,0]=3 17510 B15R0.164 COCCCCCCOCCCCC(C)C 34a_100011214890_100011998445 [0,2,0,0,0,0|2,0,0]=4 17511 B15R0.164 COCCCCCCOCCCCC(C)C 34a_200012092642_100011216152 [0,2,0,0,0,0|2,0,0]=4 17512 B15R0.164 COCCCCCCOCCCCC(C)C 7a_100011214890_100011998445 [0,2,0,0,0,0|2,0,0]=4 17513 B15R0.164 COCCCCCCOCCCCC(C)C 7a_200012092642_100011216152 [0,2,0,0,0,0|2,0,0]=4 17514 B15R0.164 COCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011998445 [0,2,0,0,0,0|2,0,0]=4 17515 B15R0.164 COCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100011998445 [0,2,0,0,0,0|2,0,0]=4 17516 B15R0.164 COCCCCCCOCCCNC(=O)C 34a_100000752032_100011998445 [0,2,0,0,0,0|2,0,0]=4 17517 B15R0.164 COCCCCCCOCCCOC(=O)C 34a_200012092642_100000042594 [0,2,0,0,0,0|2,0,0]=4 17518 B15R0.164 COCCCCCCOCCCOC(=O)C 7a_200012092642_100000042594 [0,2,0,0,0,0|2,0,0]=4 17519 B15R0.164 COCCCCCCOCCCSC(=O)C 34a_200012092642_100000038929 [0,2,0,0,0,0|2,0,0]=4 17520 B15R0.164 COCCCCCCOCCCSC(=O)C 7a_200012092642_100000038929 [0,2,0,0,0,0|2,0,0]=4 17521 B15R0.164 COCCCCCCOCCOCC(=O)N 34a_200012092642_100000076697 [0,2,0,0,0,0|2,0,0]=4 17522 B15R0.164 COCCCCCCOCCOCC(=O)N 7a_200012092642_100000076697 [0,2,0,0,0,0|2,0,0]=4 17523 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100000735457_100011998445 [0,2,0,0,0,0|1,0,0]=3 17524 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100011998445_100000735457 [0,2,0,0,0,0|1,0,0]=3 17525 B15R0.164 COCCCCCCSCCCCC(C)C 62a_100011216152_100011998445 [0,2,0,0,0,0|2,0,0]=4 17526 B15R0.164 COCCCCCCSCCCCC(C)C 62a_100011998445_100011216152 [0,2,0,0,0,0|2,0,0]=4 17527 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100000042594_100011998445 [0,2,0,0,0,0|2,0,0]=4 17528 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100011998445_100000042594 [0,2,0,0,0,0|2,0,0]=4 17529 B15R0.164 COCCCCCCSCCCSC(=O)C 62a_100000038929_100011998445 [0,2,0,0,0,0|2,0,0]=4 17530 B15R0.164 COCCCCCCSCCCSC(=O)C 62a_100011998445_100000038929 [0,2,0,0,0,0|2,0,0]=4 17531 B15R0.164 COCCCCCCSCCOCC(=O)N 62a_100000076697_100011998445 [0,2,0,0,0,0|2,0,0]=4 17532 B15R0.164 COCCCCCCSCCOCC(=O)N 62a_100011998445_100000076697 [0,2,0,0,0,0|2,0,0]=4 17533 B15R0.164 COCCCCCNCCCCCC(=O)N 2230a_100000747528_100009817443 [0,2,0,0,0,0|1,0,0]=3 17534 B15R0.164 COCCCCCNCCCCCC(=O)N 34a_100000747528_100009817443 [0,2,0,0,0,0|1,0,0]=3 17535 B15R0.164 COCCCCCNCCCCCC(C)C 2230a_100000747528_100000210682 [0,2,0,0,0,0|2,0,0]=4 17536 B15R0.164 COCCCCCNCCCCCC(C)C 34a_100000747528_100000210682 [0,2,0,0,0,0|2,0,0]=4 17537 B15R0.164 COCCCCCNCCCCOC(=O)C 34a_100000747528_100000033659 [0,2,0,0,0,0|2,0,0]=4 17538 B15R0.164 COCCCCCNCCCCSC(=O)C 2230a_100000747528_200010402107 [0,2,0,0,0,0|2,0,0]=4 17539 B15R0.164 COCCCCCNCCCCSC(=O)C 34a_100000747528_200010402107 [0,2,0,0,0,0|2,0,0]=4 17540 B15R0.164 COCCCCNCCCCCCC(C)C 2230a_100000211014_100000730899 [0,2,0,0,0,0|2,0,0]=4 17541 B15R0.164 COCCCCNCCCCCCC(C)C 34a_100000211014_100000755781 [0,2,0,0,0,0|2,0,0]=4 17542 B15R0.164 COCCCCNCCCCCNC(=O)C 2230a_200012022750_100000730899 [0,2,0,0,0,0|2,0,0]=4 17543 B15R0.164 COCCCCNCCCCCNC(=O)C 34a_200012022750_100000755781 [0,2,0,0,0,0|2,0,0]=4 17544 B15R0.164 COCCCCOCCCCCOC(=O)C 34a_100000740925_100000033007 [0,2,0,0,0,0|2,0,0]=4 17545 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000033007_100000730899 [0,2,0,0,0,0|2,0,0]=4 17546 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000730899_100000033007 [0,2,0,0,0,0|2,0,0]=4 17547 B15R0.164 COCCCNCCCCCCNC(=O)C 2230a_200011996284_100000740836 [0,2,0,0,0,0|2,0,0]=4 17548 B15R0.164 COCCCNCCCCCCNC(=O)C 34a_200011996284_100000740836 [0,2,0,0,0,0|2,0,0]=4 17549 B15R0.164 COCCCOCCCCCCCC(C)C 34a_200000210741_100000740836 [0,2,0,0,0,0|2,0,0]=4 17550 B15R0.164 COCCCOCCCCCCCC(C)C 7a_200000210741_100000740836 [0,2,0,0,0,0|2,0,0]=4 17551 B15R0.164 COCCCOCCCOCCCC(=O)C 34a_200011215475_100000685027 [0,2,0,0,0,0|2,0,0]=4 17552 B15R0.164 COCCCOCCCOCCCC(=O)C 7a_200011215475_100011215641 [0,2,0,0,0,0|2,0,0]=4 17553 B15R0.164 COCCCOCCCOCCCC(=O)N 34a_200011215475_100102525003 [0,2,0,0,0,0|2,0,0]=4 17554 B15R0.164 COCCCOCCCOCCCC(=O)N 7a_200011215475_100102525003 [0,2,0,0,0,0|2,0,0]=4 17555 B15R0.164 COCCOCCCNCCCCC(=O)C 34a_100000206027_100009817362 [0,2,0,0,0,0|2,0,0]=4 17556 B15R0.164 COCCOCCCNCCCCC(=O)N 34a_100000696515_100011216529 [0,2,0,0,0,0|2,0,0]=4 17557 B15R0.164 COCCOCCCOCCCCC(=O)N 34a_100012022536_100011216529 [0,2,0,0,0,0|2,0,0]=4 17558 B15R0.164 COCCOCCCOCCCCC(=O)N 7a_100012022536_100011216529 [0,2,0,0,0,0|2,0,0]=4 17559 B15R0.164 COCCOCCCSCCCCC(=O)C 62a_100000735457_100011216529 [0,2,0,0,0,0|2,0,0]=4 17560 B15R0.164 COCCOCCCSCCCCC(=O)C 62a_100011216529_100000735457 [0,2,0,0,0,0|2,0,0]=4 17561 B15R0.164 COCCOCCNCCCCCC(=O)N 2230a_100000745349_100009817443 [0,2,0,0,0,0|2,0,0]=4 17562 B15R0.164 COCCOCCNCCCCCC(=O)N 34a_100000745349_100009817443 [0,2,0,0,0,0|2,0,0]=4 17563 B15R0.164 COCCOCCOCCCCCC(=O)N 34a_100000123541_100000695917 [0,2,0,0,0,0|2,0,0]=4 17564 B15R0.164 COCCOCCOCCCCCC(=O)N 34a_100011215163_100009817443 [0,2,0,0,0,0|2,0,0]=4 17565 B15R0.164 COCCOCCOCCCCCC(=O)N 7a_100000123541_100000695917 [0,2,0,0,0,0|2,0,0]=4 17566 B15R0.164 COCCOCCOCCCCCC(=O)N 7a_100011215163_100009817443 [0,2,0,0,0,0|2,0,0]=4 17567 B15R0.164 COCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000695917 [0,2,0,0,0,0|2,0,0]=4 17568 B15R0.164 COCCOCCSCCCCCC(=O)N 62a_100000695917_100009817443 [0,2,0,0,0,0|2,0,0]=4 17569 B15R0.164 COCCOCCSCCCCCC(=O)N 62a_100009817443_100000695917 [0,2,0,0,0,0|2,0,0]=4 17570 B15R0.164 CS(=O)CCCNCCCCCCCCO 2230a_200000753449_100000033203 [0,2,0,0,0,0|2,0,0]=4 17571 B15R0.164 CSCCCCOCCCCCOC(=O)C 34a_100011217163_100000033007 [0,2,0,0,0,0|2,0,0]=4 17572 B15R0.164 CSCCCCOCCCCCOC(=O)C 7a_100011217163_100000033007 [0,2,0,0,0,0|2,0,0]=4 17573 B15R0.164 C[C@@H](Cl)COCCCCCCCCCCO 34a_100016084084_100009813290 [0,2,0,0,0,0|0,0,2]=4 17574 B15R0.164 C[C@@H](N)CCOCCCCCCCCCO 34a_100000706166_100009813782 [0,2,0,0,0,0|0,0,2]=4 17575 B15R0.164 C[C@@H](N)COCCCCCCCCCCO 34a_100000737577_100009813290 [0,2,0,0,0,0|0,0,2]=4 17576 B15R0.164 C[C@@H](O)CNCCCCCCCCCCO 2230a_100000066964_100009817552 [0,2,0,0,0,0|0,0,2]=4 17577 B15R0.164 C[C@@H](O)CNCCCCCCCCCCO 34a_100000066964_100009817552 [0,2,0,0,0,0|0,0,2]=4 17578 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 34a_100009813290_100009817552 [0,2,0,0,0,0|1,0,1]=4 17579 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 7a_100009813290_100009817552 [0,2,0,0,0,0|1,0,1]=4 17580 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 34a_200000033068_100009817552 [0,2,0,0,0,0|1,0,1]=4 17581 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 7a_200000033068_100009817552 [0,2,0,0,0,0|1,0,1]=4 17582 B15R0.164 C[C@@H](O)COCCCCCCCCCCN 34a_100000066964_100009817552 [0,2,0,0,0,0|1,0,1]=4 17583 B15R0.164 C[C@@H](O)CSCCCCCCCCCCO 62a_100009813290_100009817552 [0,2,0,0,0,0|0,0,2]=4 17584 B15R0.164 C[C@@H](O)CSCCCCCCCCCCO 62a_100009817552_200000033068 [0,2,0,0,0,0|0,0,2]=4 17585 B15R0.164 N#CCCCCCCOCCCCC(=O)N 7a_100012022536_100009813337 [0,2,0,0,0,0|1,0,1]=4 17586 B15R0.164 N#CCCCCCOCCCCCC(=O)N 7a_100000123541_100009813376 [0,2,0,0,0,0|1,0,1]=4 17587 B15R0.164 N#CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100009813376 [0,2,0,0,0,0|1,0,1]=4 17588 B15R0.164 N#CCCCCCSCCCCCC(=O)N 62a_100009813376_100009817443 [0,2,0,0,0,0|1,0,1]=4 17589 B15R0.164 N#CCCCCCSCCCCCC(=O)N 62a_100009817443_100009813376 [0,2,0,0,0,0|1,0,1]=4 17590 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_100015361967_200010167045 [0,2,0,0,0,0|1,0,0]=3 17591 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_200010167045_100015361967 [0,2,0,0,0,0|1,0,0]=3 17592 B15R0.164 NC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009817443 [0,2,0,0,0,0|1,0,0]=3 17593 B15R0.164 NC(=O)CCCCCNCCCCCCO 34a_100000686447_100009817443 [0,2,0,0,0,0|1,0,0]=3 17594 B15R0.164 NC(=O)CCCCCOCCCCCC=O 7a_100000123541_100000139337 [0,2,0,0,0,0|1,0,1]=4 17595 B15R0.164 NC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009817443 [0,2,0,0,0,0|1,0,0]=3 17596 B15R0.164 NC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009817443 [0,2,0,0,0,0|1,0,0]=3 17597 B15R0.164 NC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009817443 [0,2,0,0,0,0|1,0,0]=3 17598 B15R0.164 NC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009817443 [0,2,0,0,0,0|1,0,0]=3 17599 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000123541_100015922095 [0,2,0,0,0,0|1,0,0]=3 17600 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000732779_100009817443 [0,2,0,0,0,0|1,0,0]=3 17601 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000123541_100015922095 [0,2,0,0,0,0|1,0,0]=3 17602 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000732779_100009817443 [0,2,0,0,0,0|1,0,0]=3 17603 B15R0.164 NC(=O)CCCCCOCCCCCCO 34a_100000123541_100000766143 [0,2,0,0,0,0|1,0,0]=3 17604 B15R0.164 NC(=O)CCCCCOCCCCCCO 7a_100000123541_100000766143 [0,2,0,0,0,0|1,0,0]=3 17605 B15R0.164 NC(=O)CCCCCSCCCCCC=O 62a_100000139337_100009817443 [0,2,0,0,0,0|1,0,1]=4 17606 B15R0.164 NC(=O)CCCCCSCCCCCC=O 62a_100009817443_100000139337 [0,2,0,0,0,0|1,0,1]=4 17607 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100009817443_100015922095 [0,2,0,0,0,0|1,0,0]=3 17608 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100015922095_100009817443 [0,2,0,0,0,0|1,0,0]=3 17609 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100000766143_100009817443 [0,2,0,0,0,0|1,0,0]=3 17610 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100009817443_100000766143 [0,2,0,0,0,0|1,0,0]=3 17611 B15R0.164 NC(=O)CCCCNCCCCCCCO 34a_100000696515_100000760002 [0,2,0,0,0,0|1,0,0]=3 17612 B15R0.164 NC(=O)CCCCOCCCCCCCO 34a_100012022536_100000760002 [0,2,0,0,0,0|1,0,0]=3 17613 B15R0.164 NC(=O)CCCCOCCCCCCCO 7a_100012022536_100000760002 [0,2,0,0,0,0|1,0,0]=3 17614 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_100000739312_100000033203 [0,2,0,0,0,0|1,0,0]=3 17615 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_102515433106_100102525003 [0,2,0,0,0,0|1,0,0]=3 17616 B15R0.164 NC(=O)CCCOCCCCCCCCBr 34a_100009813846_100102525003 [0,2,0,0,0,0|1,0,0]=3 17617 B15R0.164 NC(=O)CCCOCCCCCCCCBr 7a_100009813846_100102525003 [0,2,0,0,0,0|1,0,0]=3 17618 B15R0.164 NC(=O)CCCOCCCCCCCCCl 34a_100000033203_100102525003 [0,2,0,0,0,0|1,0,0]=3 17619 B15R0.164 NC(=O)CCCOCCCCCCCCCl 7a_100000033203_100102525003 [0,2,0,0,0,0|1,0,0]=3 17620 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100000033203_100102525003 [0,2,0,0,0,0|1,0,0]=3 17621 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100102525003_100000033203 [0,2,0,0,0,0|1,0,0]=3 17622 B15R0.164 NC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000744528 [0,2,0,0,0,0|1,0,0]=3 17623 B15R0.164 NC(=O)CCNCCCCCCCCCO 34a_100000078944_100000731001 [0,2,0,0,0,0|1,0,0]=3 17624 B15R0.164 NC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000731001 [0,2,0,0,0,0|1,0,0]=3 17625 B15R0.164 NC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000744528 [0,2,0,0,0,0|1,0,0]=3 17626 B15R0.164 NC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000731001 [0,2,0,0,0,0|1,0,0]=3 17627 B15R0.164 NC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000744528 [0,2,0,0,0,0|1,0,0]=3 17628 B15R0.164 NC(=O)CCOCCCCCCCCCO 34a_100000757172_100009813782 [0,2,0,0,0,0|1,0,0]=3 17629 B15R0.164 NC(=O)CCOCCCCCCCCCO 7a_100000757172_100009813782 [0,2,0,0,0,0|1,0,0]=3 17630 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100000744528_100009813782 [0,2,0,0,0,0|1,0,0]=3 17631 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100009813782_100000744528 [0,2,0,0,0,0|1,0,0]=3 17632 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747473 [0,2,0,0,0,0|1,0,0]=3 17633 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000711301_100009813290 [0,2,0,0,0,0|1,0,0]=3 17634 B15R0.164 NC(=O)CNCCCCCCCCCCO 34a_100000066964_100000187820 [0,2,0,0,0,0|1,0,0]=3 17635 B15R0.164 NC(=O)COCCCCCCCCCCBr 34a_100009813290_100000187820 [0,2,0,0,0,0|1,0,0]=3 17636 B15R0.164 NC(=O)COCCCCCCCCCCBr 7a_100009813290_100000187820 [0,2,0,0,0,0|1,0,0]=3 17637 B15R0.164 NC(=O)COCCCCCCCCCCCl 34a_200000033068_100000187820 [0,2,0,0,0,0|1,0,0]=3 17638 B15R0.164 NC(=O)COCCCCCCCCCCCl 7a_200000033068_100000187820 [0,2,0,0,0,0|1,0,0]=3 17639 B15R0.164 NC(=O)COCCNCCCCCCCO 2230a_100011996573_100000076697 [0,2,0,0,0,0|2,0,0]=4 17640 B15R0.164 NC(=O)COCCNCCCCCCCO 34a_100011996573_100000076697 [0,2,0,0,0,0|2,0,0]=4 17641 B15R0.164 NC(=O)COCCOCCCCCCCBr 34a_100000760002_100000076697 [0,2,0,0,0,0|2,0,0]=4 17642 B15R0.164 NC(=O)COCCOCCCCCCCBr 7a_100000760002_100000076697 [0,2,0,0,0,0|2,0,0]=4 17643 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000076697_100000760002 [0,2,0,0,0,0|2,0,0]=4 17644 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000760002_100000076697 [0,2,0,0,0,0|2,0,0]=4 17645 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100000747473_200000033068 [0,2,0,0,0,0|1,0,0]=3 17646 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747473 [0,2,0,0,0,0|1,0,0]=3 17647 B15R0.164 NC(=O)NCCNCCCCCCCCO 2230a_102515433106_200000034859 [0,2,0,0,0,0|2,0,0]=4 17648 B15R0.164 NC(=O)NCCNCCCCCCCCO 34a_100020590234_100000033203 [0,2,0,0,0,0|2,0,0]=4 17649 B15R0.164 NC(=O)NCCOCCCCCCCCBr 7a_100009813846_200000034859 [0,2,0,0,0,0|2,0,0]=4 17650 B15R0.164 NC(=O)NCCOCCCCCCCCCl 7a_100000033203_200000034859 [0,2,0,0,0,0|2,0,0]=4 17651 B15R0.164 NC(=O)NCCOCCCCCCCCO 34a_100000181757_100000033203 [0,2,0,0,0,0|2,0,0]=4 17652 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_100000033203_200000034859 [0,2,0,0,0,0|2,0,0]=4 17653 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_200000034859_100000033203 [0,2,0,0,0,0|2,0,0]=4 17654 B15R0.164 NC(=O)OCCNCCCCCCCCO 34a_102515433106_200011214921 [0,2,0,0,0,0|2,0,0]=4 17655 B15R0.164 NC(=O)OCCOCCCCCCCCBr 34a_100009813846_200011214921 [0,2,0,0,0,0|2,0,0]=4 17656 B15R0.164 NC(=O)OCCOCCCCCCCCBr 7a_100009813846_200011214921 [0,2,0,0,0,0|2,0,0]=4 17657 B15R0.164 NC(=O)OCCOCCCCCCCCCl 34a_100000033203_200011214921 [0,2,0,0,0,0|2,0,0]=4 17658 B15R0.164 NC(=O)OCCOCCCCCCCCCl 7a_100000033203_200011214921 [0,2,0,0,0,0|2,0,0]=4 17659 B15R0.164 NC(=O)OCCOCCCCCCCCO 7a_100000766696_100000033203 [0,2,0,0,0,0|2,0,0]=4 17660 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_100000033203_200011214921 [0,2,0,0,0,0|2,0,0]=4 17661 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_200011214921_100000033203 [0,2,0,0,0,0|2,0,0]=4 17662 B15R0.164 NCCCCCCCCCCOCC(=O)N 34a_100000066964_100000187820 [0,2,0,0,0,0|1,0,0]=3 17663 B15R0.164 NCCCCCCCCCCOCC(=O)[O-] 34a_100000066964_100020667443 [0,2,0,0,0,0|1,0,0]=3 17664 B15R0.164 NCCCCCCCCCCOC[N+](=O)[O-] 34a_100000066964_100000761209 [0,2,0,0,0,0|2,0,0]=4 17665 B15R0.164 NCCCCCCCCCOCCC(=O)N 34a_100000078944_100000731001 [0,2,0,0,0,0|1,0,0]=3 17666 B15R0.164 NCCCCCCCCOCCCC(=O)N 34a_102515433106_100102525003 [0,2,0,0,0,0|1,0,0]=3 17667 B15R0.164 NCCCCCCCCOCCOC(=O)N 34a_102515433106_200011214921 [0,2,0,0,0,0|2,0,0]=4 17668 B15R0.164 NCCCCCCCOCCOCC(=O)N 34a_100011996573_100000076697 [0,2,0,0,0,0|2,0,0]=4 17669 B15R0.164 NCCCCCCOCCCCCC(=O)N 34a_100000686447_100009817443 [0,2,0,0,0,0|1,0,0]=3 17670 B15R0.164 NCCNCCCCCOCCCC(=O)N 34a_103619048469_100102525003 [0,2,0,0,0,0|2,0,0]=4 17671 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [0,2,0,0,0,0|1,0,0]=3 17672 B15R0.164 O=C(O)COCCNCCCCCCCO 269956a_100000700818_100000760002 [0,2,0,0,0,0|2,0,0]=4 17673 B15R0.164 O=C(O)CONCCCCCCCCCO 269956a_100000106656_100009813782 [0,2,0,0,0,0|2,0,0]=4 17674 B15R0.164 O=C([O-])CCCCCOCCCCCCF 7a_100102619762_100015922095 [0,2,0,0,0,0|1,0,0]=3 17675 B15R0.164 O=C([O-])CCCCCOCCCCCCO 7a_100102619762_100000766143 [0,2,0,0,0,0|1,0,0]=3 17676 B15R0.164 O=C([O-])CNCCCCCCCCCCO 34a_100000066964_100020667443 [0,2,0,0,0,0|1,0,0]=3 17677 B15R0.164 O=C([O-])COCCCCCCCCCCBr 34a_100009813290_100020667443 [0,2,0,0,0,0|1,0,0]=3 17678 B15R0.164 O=C([O-])COCCCCCCCCCCCl 34a_200000033068_100020667443 [0,2,0,0,0,0|1,0,0]=3 17679 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100009813290_100020667443 [0,2,0,0,0,0|1,0,0]=3 17680 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100020667443_200000033068 [0,2,0,0,0,0|1,0,0]=3 17681 B15R0.164 O=CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139337 [0,2,0,0,0,0|1,0,1]=4 17682 B15R0.164 O=CCCCCCSCCCCCB(O)O 62a_100000139337_200009817188 [0,2,0,0,0,0|2,0,0]=4 17683 B15R0.164 O=CCCCCCSCCCCCB(O)O 62a_200009817188_100000139337 [0,2,0,0,0,0|2,0,0]=4 17684 B15R0.164 O=CCCCCSCCCCCCB(O)O 62a_100000139335_100009817187 [0,2,0,0,0,0|2,0,0]=4 17685 B15R0.164 O=CCCCCSCCCCCCB(O)O 62a_100009817187_100000139335 [0,2,0,0,0,0|2,0,0]=4 17686 B15R0.164 O=[N+]([O-])CCCCOCCCCCCCO 34a_200015379883_100000760002 [0,2,0,0,0,0|2,0,0]=4 17687 B15R0.164 O=[N+]([O-])CCCCOCCCCCCCO 7a_200015379883_100000760002 [0,2,0,0,0,0|2,0,0]=4 17688 B15R0.164 O=[N+]([O-])CCCOCCCCCCCCO 34a_200000037920_100000033203 [0,2,0,0,0,0|2,0,0]=4 17689 B15R0.164 O=[N+]([O-])CNCCCCCCCCCCO 34a_100000066964_100000761209 [0,2,0,0,0,0|2,0,0]=4 17690 B15R0.164 O=[N+]([O-])COCCCCCCCCCCBr 34a_100009813290_100000761209 [0,2,0,0,0,0|2,0,0]=4 17691 B15R0.164 O=[N+]([O-])COCCCCCCCCCCCl 34a_200000033068_100000761209 [0,2,0,0,0,0|2,0,0]=4 17692 B15R0.164 O=[N+]([O-])CSCCCCCCCCCCO 62a_100009813290_100000761209 [0,2,0,0,0,0|2,0,0]=4 17693 B15R0.2002 C#CCCC(=O)CCCCCCCCCC 1458a_100000210375_100000753159 [0,2,0,0,0,0|1,0,1]=4 17694 B15R0.2002 C#CCCC(=O)CCCCCCCCCC 1458a_100000692101_100000210319 [0,2,0,0,0,0|1,0,1]=4 17695 B15R0.2002 C#CCCCCCCCCC(=O)CCCC 1458a_100000029693_100000210211 [0,2,0,0,0,0|1,0,1]=4 17696 B15R0.2002 C#CCCCCCCCNC(C)CCCC 2230a_100000126638_100153394163 [0,2,0,0,0,0|1,0,1]=4 17697 B15R0.2002 C#CCCCCCCCOC(C)CCCC 34a_100000054614_200011215066 [0,2,0,0,0,0|1,0,1]=4 17698 B15R0.2002 C#CCCCCCCCOC(C)CCCC 34a_100000687866_100153394163 [0,2,0,0,0,0|1,0,1]=4 17699 B15R0.2002 C#CCCCCCCCOC(C)CCCC 7a_100000054614_200011215066 [0,2,0,0,0,0|1,0,1]=4 17700 B15R0.2002 C#CCCCCCCCOC(C)CCCC 7a_100000687866_100153394163 [0,2,0,0,0,0|1,0,1]=4 17701 B15R0.2002 C#CCCCCCCCSC(C)CCCC 62a_100153394163_200011215066 [0,2,0,0,0,0|1,0,1]=4 17702 B15R0.2002 C#CCCCCCCCSC(C)CCCC 62a_200011215066_100153394163 [0,2,0,0,0,0|1,0,1]=4 17703 B15R0.2002 C#CCCCCCCOCC(C)CCCC 34a_100011995851_100012276617 [0,2,0,0,0,0|1,0,1]=4 17704 B15R0.2002 C#CCCCCCCOCC(C)CCCC 7a_100011995851_100012276617 [0,2,0,0,0,0|1,0,1]=4 17705 B15R0.2002 C#CCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100012276617 [0,2,0,0,0,0|1,0,1]=4 17706 B15R0.2002 C#CCCCOCCCCC(C)CCCC 34a_200011021034_100000695029 [0,2,0,0,0,0|1,0,1]=4 17707 B15R0.2002 C#CCCCOCCCCC(C)CCCC 7a_200011021034_100011215417 [0,2,0,0,0,0|1,0,1]=4 17708 B15R0.2002 C#CCCN(C)CCCCCCCCCC 2230a_100000207566_100000688953 [0,2,0,0,0,0|1,0,1]=4 17709 B15R0.2002 C#CCCN(C)CCCCCCCCCC 269982a_100000207566_100000730999 [0,2,0,0,0,0|1,0,1]=4 17710 B15R0.2002 C#CCOC(C)CCCCCCCCCC 34a_100011215000_100000184674 [0,2,0,0,0,0|1,0,1]=4 17711 B15R0.2002 C#CCOC(C)CCCCCCCCCC 7a_100011215000_100000038162 [0,2,0,0,0,0|1,0,1]=4 17712 B15R0.2002 C/C=C/CC(=O)CCCCCCCCCC 1458a_100000210375_100102629194 [0,2,0,0,0,0|1,0,1]=4 17713 B15R0.2002 C/C=C/CN(C)CCCCCCCCCC 269982a_100000207566_100102629194 [0,2,0,0,0,0|1,0,1]=4 17714 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000210375_100000754431 [0,2,0,0,0,0|1,0,0]=3 17715 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000749702_100000210319 [0,2,0,0,0,0|1,0,0]=3 17716 B15R0.2002 C=CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000754431 [0,2,0,0,0,0|1,0,1]=4 17717 B15R0.2002 C=CCCC(=O)CCCCCCCCCO 1458a_100000749702_100009813782 [0,2,0,0,0,0|1,0,1]=4 17718 B15R0.2002 C=CCCC(=O)COCCCCCCCC 1458a_100000759886_100000754431 [0,2,0,0,0,0|1,0,1]=4 17719 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 11a_100000212291_100000749702 [0,2,0,0,0,0|1,0,1]=4 17720 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 1626a_100000212291_100000749702 [0,2,0,0,0,0|1,0,1]=4 17721 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 240690a_100000212291_100000749702 [0,2,0,0,0,0|1,0,1]=4 17722 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 527a_100000212291_100000749702 [0,2,0,0,0,0|1,0,1]=4 17723 B15R0.2002 C=CCCC(C)NCCCCCCCCC 270004a_100000212291_100000762624 [0,2,0,0,0,0|1,0,0]=3 17724 B15R0.2002 C=CCCC(C)NCCCCCCCCO 270004a_102515433106_100000762624 [0,2,0,0,0,0|2,0,0]=4 17725 B15R0.2002 C=CCCC(C)OCCCCCCCCC 34a_100000765329_100011214924 [0,2,0,0,0,0|1,0,0]=3 17726 B15R0.2002 C=CCCC(C)OCCCCCCCCC 7a_100000765329_100000210328 [0,2,0,0,0,0|1,0,0]=3 17727 B15R0.2002 C=CCCC(C)OCCCCCCCCO 34a_100000765329_100000033203 [0,2,0,0,0,0|2,0,0]=4 17728 B15R0.2002 C=CCCC(C)OCCCCCCCCO 7a_100000765329_100000033203 [0,2,0,0,0,0|2,0,0]=4 17729 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000210183_100011933949 [0,2,0,0,0,0|1,0,0]=3 17730 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000211349_100000210211 [0,2,0,0,0,0|1,0,0]=3 17731 B15R0.2002 C=CCCCCCCCCC(=O)CCCF 1458a_100000211349_100011934791 [0,2,0,0,0,0|1,0,1]=4 17732 B15R0.2002 C=CCCCCCCCCC(=O)CCCO 1458a_100000211349_100011215043 [0,2,0,0,0,0|1,0,1]=4 17733 B15R0.2002 C=CCCCCCCCCC(=O)CCOC 1458a_100000211349_100000233755 [0,2,0,0,0,0|1,0,1]=4 17734 B15R0.2002 C=CCCCCCCCCC(=O)CCOC 1458a_100000749529_100011933949 [0,2,0,0,0,0|1,0,1]=4 17735 B15R0.2002 C=CCCCCCCCCC(=O)CCSC 1458a_100000174002_100011933949 [0,2,0,0,0,0|1,0,1]=4 17736 B15R0.2002 C=CCCCCCCCCC(=O)CCSC 1458a_100000211349_100000751147 [0,2,0,0,0,0|1,0,1]=4 17737 B15R0.2002 C=CCCCCCCCCC(=O)COCC 1458a_100000211967_100011933949 [0,2,0,0,0,0|1,0,1]=4 17738 B15R0.2002 C=CCCCCCCCCC(=O)CSCC 1458a_100000230394_100011933949 [0,2,0,0,0,0|1,0,1]=4 17739 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 11a_100020643023_100000211349 [0,2,0,0,0,0|1,0,1]=4 17740 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000211349 [0,2,0,0,0,0|1,0,1]=4 17741 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000211349 [0,2,0,0,0,0|1,0,1]=4 17742 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 527a_100020643023_100000211349 [0,2,0,0,0,0|1,0,1]=4 17743 B15R0.2002 C=CCCCCCCCCN(C)CCCC 2230a_100000207549_100011933949 [0,2,0,0,0,0|1,0,0]=3 17744 B15R0.2002 C=CCCCCCCCCN(C)CCCC 269982a_100000207549_100011933949 [0,2,0,0,0,0|1,0,0]=3 17745 B15R0.2002 C=CCCCCCCCCN(C)CCCO 2230a_100000213112_100011933949 [0,2,0,0,0,0|2,0,0]=4 17746 B15R0.2002 C=CCCCCCCCCN(C)CCCO 269982a_100000213112_100011933949 [0,2,0,0,0,0|2,0,0]=4 17747 B15R0.2002 C=CCCCCCCCCN(C)CCOC 2230a_100000743101_100011933949 [0,2,0,0,0,0|2,0,0]=4 17748 B15R0.2002 C=CCCCCCCCCN(C)CCOC 269982a_100000743101_100011933949 [0,2,0,0,0,0|2,0,0]=4 17749 B15R0.2002 C=CCCCCCCCCN(C)CCSC 2230a_100000686725_100011933949 [0,2,0,0,0,0|2,0,0]=4 17750 B15R0.2002 C=CCCCCCCCCN(C)CCSC 269982a_100000686725_100011933949 [0,2,0,0,0,0|2,0,0]=4 17751 B15R0.2002 C=CCCCCCCCNC(C)CCCC 2230a_100000126638_100012355270 [0,2,0,0,0,0|1,0,0]=3 17752 B15R0.2002 C=CCCCCCCCOC(C)CCCC 34a_100000687866_100012355270 [0,2,0,0,0,0|1,0,0]=3 17753 B15R0.2002 C=CCCCCCCCOC(C)CCCC 34a_100000730831_200011215066 [0,2,0,0,0,0|1,0,0]=3 17754 B15R0.2002 C=CCCCCCCCOC(C)CCCC 7a_100000687866_100012355270 [0,2,0,0,0,0|1,0,0]=3 17755 B15R0.2002 C=CCCCCCCCOC(C)CCCC 7a_100000730831_200011215066 [0,2,0,0,0,0|1,0,0]=3 17756 B15R0.2002 C=CCCCCCCCOC(C)CCCCl 34a_200000718107_100012355270 [0,2,0,0,0,0|2,0,0]=4 17757 B15R0.2002 C=CCCCCCCCOC(C)CCCCl 7a_200000718107_100012355270 [0,2,0,0,0,0|2,0,0]=4 17758 B15R0.2002 C=CCCCCCCCOC(C)COCC 34a_100000718985_100012355270 [0,2,0,0,0,0|2,0,0]=4 17759 B15R0.2002 C=CCCCCCCCOC(C)COCC 7a_100000718985_100012355270 [0,2,0,0,0,0|2,0,0]=4 17760 B15R0.2002 C=CCCCCCCCSC(C)CCCC 62a_100012355270_200011215066 [0,2,0,0,0,0|1,0,0]=3 17761 B15R0.2002 C=CCCCCCCCSC(C)CCCC 62a_200011215066_100012355270 [0,2,0,0,0,0|1,0,0]=3 17762 B15R0.2002 C=CCCCCCCNCC(C)OCCC 2230a_100015185124_100011215473 [0,2,0,0,0,0|2,0,0]=4 17763 B15R0.2002 C=CCCCCCCNCC(C)OCCC 34a_100015185124_100011215473 [0,2,0,0,0,0|2,0,0]=4 17764 B15R0.2002 C=CCCCCCCNCC(O)COCC 2230a_102515437182_100011215473 [0,2,0,0,0,0|2,0,0]=4 17765 B15R0.2002 C=CCCCCCCNCC(O)COCC 34a_102515437182_100011215473 [0,2,0,0,0,0|2,0,0]=4 17766 B15R0.2002 C=CCCCCCCNC[C@H](C)CCCO 2230a_100160569302_100011215473 [0,2,0,0,0,0|2,0,0]=4 17767 B15R0.2002 C=CCCCCCCNC[C@H](C)CCCO 34a_100160569302_100011215473 [0,2,0,0,0,0|2,0,0]=4 17768 B15R0.2002 C=CCCCCCCOCC(C)CCCC 34a_100011995851_100011215473 [0,2,0,0,0,0|1,0,0]=3 17769 B15R0.2002 C=CCCCCCCOCC(C)CCCC 7a_100011995851_100011215473 [0,2,0,0,0,0|1,0,0]=3 17770 B15R0.2002 C=CCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100011215473 [0,2,0,0,0,0|1,0,0]=3 17771 B15R0.2002 C=CCCCCCCOC[C@@H](N)CCSC 34a_100011827619_100011215473 [0,2,0,0,0,0|2,0,0]=4 17772 B15R0.2002 C=CCCCOCCCCC(C)CCCC 34a_200011021034_100000757094 [0,2,0,0,0,0|1,0,0]=3 17773 B15R0.2002 C=CCCCOCCCCC(C)CCCC 7a_200011021034_100000757094 [0,2,0,0,0,0|1,0,0]=3 17774 B15R0.2002 C=CCCN(C)CCCCCCCCCC 2230a_100000207566_100000754431 [0,2,0,0,0,0|1,0,0]=3 17775 B15R0.2002 C=CCCN(C)CCCCCCCCCC 2230a_100020639649_100000210320 [0,2,0,0,0,0|1,0,0]=3 17776 B15R0.2002 C=CCCN(C)CCCCCCCCCC 269982a_100000207566_100000754431 [0,2,0,0,0,0|1,0,0]=3 17777 B15R0.2002 C=CCCN(C)CCCCCCCCCC 269982a_100020639649_100000210320 [0,2,0,0,0,0|1,0,0]=3 17778 B15R0.2002 C=CCCN(C)CCCCCCCCCO 2230a_100020639649_100009813782 [0,2,0,0,0,0|2,0,0]=4 17779 B15R0.2002 C=CCCN(C)CCCCCCCCCO 269982a_100020639649_100009813782 [0,2,0,0,0,0|2,0,0]=4 17780 B15R0.2002 C=CCNC(=O)CCCCCCCCCC 1626a_100020586998_100000210375 [0,2,0,0,0,0|1,0,1]=4 17781 B15R0.2002 C=CCNC(=O)CCCCCCCCCC 240690a_100020586998_100000210375 [0,2,0,0,0,0|1,0,1]=4 17782 B15R0.2002 C=CCNC(C)CCCCCCCCCC 270004a_100020586998_200011219864 [0,2,0,0,0,0|1,0,0]=3 17783 B15R0.2002 C=CCOC(C)CCCCCCCCCC 34a_100011215000_100015514636 [0,2,0,0,0,0|1,0,0]=3 17784 B15R0.2002 C=CCOC(C)CCCCCCCCCC 7a_100011215000_100015514636 [0,2,0,0,0,0|1,0,0]=3 17785 B15R0.2002 C=COCCOCCCCC(C)CCCC 34a_200011021034_100000039644 [0,2,0,0,0,0|2,0,0]=4 17786 B15R0.2002 C=COCCOCCCCC(C)CCCC 7a_200011021034_100000039644 [0,2,0,0,0,0|2,0,0]=4 17787 B15R0.2002 CC=CCC(=O)CCCCCCCCCC 1458a_100000210375_100000070051 [0,2,0,0,0,0|1,0,1]=4 17788 B15R0.2002 CC=CCC(=O)CCCCCCCCCC 1458a_100121576822_100000210319 [0,2,0,0,0,0|1,0,1]=4 17789 B15R0.2002 CC=CCN(C)CCCCCCCCCC 2230a_100000207566_100000070051 [0,2,0,0,0,0|1,0,1]=4 17790 B15R0.2002 CCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210211 [0,2,0,0,0,0|1,0,1]=4 17791 B15R0.2002 CCCCC(=O)CCCCCCCCCO 1458a_100000210183_100009813782 [0,2,0,0,0,0|0,0,2]=4 17792 B15R0.2002 CCCCC(C)CCCCOCCCC#N 7a_200011021034_100000687738 [0,2,0,0,0,0|1,0,1]=4 17793 B15R0.2002 CCCCC(C)CCCCOCCCC=O 7a_200011021034_200011292268 [0,2,0,0,0,0|0,0,0]=2 17794 B15R0.2002 CCCCC(C)CCCCOCCCCF 34a_200011021034_100000729493 [0,2,0,0,0,0|1,0,1]=4 17795 B15R0.2002 CCCCC(C)CCCCOCCCCF 7a_200011021034_100000729493 [0,2,0,0,0,0|1,0,1]=4 17796 B15R0.2002 CCCCC(C)CCCCOCCCCO 34a_200011021034_100011216708 [0,2,0,0,0,0|0,0,2]=4 17797 B15R0.2002 CCCCC(C)CCCCOCCCCO 7a_200011021034_100000210776 [0,2,0,0,0,0|0,0,2]=4 17798 B15R0.2002 CCCCC(C)CCCCOCCCOC 34a_200011021034_100000740836 [0,2,0,0,0,0|2,0,0]=4 17799 B15R0.2002 CCCCC(C)CCCCOCCCOC 7a_200011021034_100000740836 [0,2,0,0,0,0|2,0,0]=4 17800 B15R0.2002 CCCCC(C)COCCCCCCC#N 7a_100011995851_100009813337 [0,2,0,0,0,0|1,0,1]=4 17801 B15R0.2002 CCCCC(C)COCCCCCCCO 34a_100011995851_100000760002 [0,2,0,0,0,0|0,0,2]=4 17802 B15R0.2002 CCCCC(C)COCCCCCCCO 7a_100011995851_100000760002 [0,2,0,0,0,0|0,0,2]=4 17803 B15R0.2002 CCCCC(C)COCCCCCCOC 34a_100011995851_100011998445 [0,2,0,0,0,0|2,0,0]=4 17804 B15R0.2002 CCCCC(C)COCCCCCCOC 7a_100011995851_100011998445 [0,2,0,0,0,0|2,0,0]=4 17805 B15R0.2002 CCCCC(C)NCCCCCCCCO 2230a_100000126638_100000033203 [0,2,0,0,0,0|0,0,2]=4 17806 B15R0.2002 CCCCC(C)NCCCCCCCCO 2230a_102515433106_200011215066 [0,2,0,0,0,0|0,0,2]=4 17807 B15R0.2002 CCCCC(C)NCCCCCCCCO 270004a_102515433106_100000210087 [0,2,0,0,0,0|0,0,2]=4 17808 B15R0.2002 CCCCC(C)NCCCCCCCCO 34a_102515433106_200011215066 [0,2,0,0,0,0|0,0,2]=4 17809 B15R0.2002 CCCCC(C)OCCCCCCCCBr 34a_100009813846_200011215066 [0,2,0,0,0,0|1,0,1]=4 17810 B15R0.2002 CCCCC(C)OCCCCCCCCBr 7a_100009813846_200011215066 [0,2,0,0,0,0|1,0,1]=4 17811 B15R0.2002 CCCCC(C)OCCCCCCCCCl 34a_100000033203_200011215066 [0,2,0,0,0,0|1,0,1]=4 17812 B15R0.2002 CCCCC(C)OCCCCCCCCCl 7a_100000033203_200011215066 [0,2,0,0,0,0|1,0,1]=4 17813 B15R0.2002 CCCCC(C)OCCCCCCCCN 34a_102515433106_200011215066 [0,2,0,0,0,0|1,0,1]=4 17814 B15R0.2002 CCCCC(C)OCCCCCCCCO 34a_100000687866_100000033203 [0,2,0,0,0,0|0,0,2]=4 17815 B15R0.2002 CCCCC(C)OCCCCCCCCO 7a_100000687866_100000033203 [0,2,0,0,0,0|0,0,2]=4 17816 B15R0.2002 CCCCC(C)SCCCCCCCCO 62a_100000033203_200011215066 [0,2,0,0,0,0|0,0,2]=4 17817 B15R0.2002 CCCCC(C)SCCCCCCCCO 62a_200011215066_100000033203 [0,2,0,0,0,0|0,0,2]=4 17818 B15R0.2002 CCCCCCCCCCC(=O)CCC#N 1458a_100000210375_100011215226 [0,2,0,0,0,0|1,0,1]=4 17819 B15R0.2002 CCCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210319 [0,2,0,0,0,0|1,0,1]=4 17820 B15R0.2002 CCCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210319 [0,2,0,0,0,0|1,0,1]=4 17821 B15R0.2002 CCCCCCCCCCC(=O)CCCC 1458a_100000210375_100000210211 [0,2,0,0,0,0|1,0,1]=4 17822 B15R0.2002 CCCCCCCCCCC(=O)CCCF 1458a_100000210375_100011934791 [0,2,0,0,0,0|1,0,1]=4 17823 B15R0.2002 CCCCCCCCCCC(=O)CCCO 1458a_100000210375_100011215043 [0,2,0,0,0,0|0,0,2]=4 17824 B15R0.2002 CCCCCCCCCCC(=O)CCOC 1458a_100000210375_100000233755 [0,2,0,0,0,0|2,0,0]=4 17825 B15R0.2002 CCCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210319 [0,2,0,0,0,0|2,0,0]=4 17826 B15R0.2002 CCCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210319 [0,2,0,0,0,0|2,0,0]=4 17827 B15R0.2002 CCCCCCCCCCC(=O)CCSC 1458a_100000210375_100000751147 [0,2,0,0,0,0|2,0,0]=4 17828 B15R0.2002 CCCCCCCCCCC(C)NCCC 270004a_100020643023_200011219864 [0,2,0,0,0,0|1,0,1]=4 17829 B15R0.2002 CCCCCCCCCCC(C)NCCO 270004a_100000210304_200011219864 [0,2,0,0,0,0|0,0,2]=4 17830 B15R0.2002 CCCCCCCCCCC(C)OCC#N 7a_100011215000_100011215382 [0,2,0,0,0,0|1,0,1]=4 17831 B15R0.2002 CCCCCCCCCCC(C)OCC=O 34a_100011215000_200009817547 [0,2,0,0,0,0|0,0,0]=2 17832 B15R0.2002 CCCCCCCCCCC(C)OCC=O 7a_100011215000_200015260668 [0,2,0,0,0,0|0,0,0]=2 17833 B15R0.2002 CCCCCCCCCCC(C)OCCC 34a_100011215000_100000210303 [0,2,0,0,0,0|1,0,1]=4 17834 B15R0.2002 CCCCCCCCCCC(C)OCCC 7a_100011215000_100000210303 [0,2,0,0,0,0|1,0,1]=4 17835 B15R0.2002 CCCCCCCCCCC(C)OCCF 34a_100011215000_100011217306 [0,2,0,0,0,0|1,0,1]=4 17836 B15R0.2002 CCCCCCCCCCC(C)OCCF 7a_100011215000_100011217306 [0,2,0,0,0,0|1,0,1]=4 17837 B15R0.2002 CCCCCCCCCCC(C)OCCO 34a_100011215000_100000211926 [0,2,0,0,0,0|0,0,2]=4 17838 B15R0.2002 CCCCCCCCCCC(C)OCCO 7a_100011215000_100000211926 [0,2,0,0,0,0|0,0,2]=4 17839 B15R0.2002 CCCCCCCCCCC(C)OCSC 34a_100011215000_100011218213 [0,2,0,0,0,0|2,0,0]=4 17840 B15R0.2002 CCCCCCCCCCN(C)CCC#N 2230a_100000184479_100000210320 [0,2,0,0,0,0|1,0,1]=4 17841 B15R0.2002 CCCCCCCCCCN(C)CCC#N 2230a_100000207566_100011215226 [0,2,0,0,0,0|1,0,1]=4 17842 B15R0.2002 CCCCCCCCCCN(C)CCC#N 269982a_100000207566_100011215226 [0,2,0,0,0,0|1,0,1]=4 17843 B15R0.2002 CCCCCCCCCCN(C)CCCC 2230a_100000207549_100000210320 [0,2,0,0,0,0|1,0,1]=4 17844 B15R0.2002 CCCCCCCCCCN(C)CCCC 2230a_100000207566_100000210211 [0,2,0,0,0,0|1,0,1]=4 17845 B15R0.2002 CCCCCCCCCCN(C)CCCC 269982a_100000207549_100000210320 [0,2,0,0,0,0|1,0,1]=4 17846 B15R0.2002 CCCCCCCCCCN(C)CCCC 269982a_100000207566_100000210211 [0,2,0,0,0,0|1,0,1]=4 17847 B15R0.2002 CCCCCCCCCCN(C)CCCF 2230a_100000207566_100011934791 [0,2,0,0,0,0|1,0,1]=4 17848 B15R0.2002 CCCCCCCCCCN(C)CCCF 269982a_100000207566_100011934791 [0,2,0,0,0,0|1,0,1]=4 17849 B15R0.2002 CCCCCCCCCCN(C)CCCO 2230a_100000207566_100000230001 [0,2,0,0,0,0|0,0,2]=4 17850 B15R0.2002 CCCCCCCCCCN(C)CCCO 2230a_100000213112_100000210320 [0,2,0,0,0,0|0,0,2]=4 17851 B15R0.2002 CCCCCCCCCCN(C)CCCO 269982a_100000207566_100011215043 [0,2,0,0,0,0|0,0,2]=4 17852 B15R0.2002 CCCCCCCCCCN(C)CCCO 269982a_100000213112_100000210320 [0,2,0,0,0,0|0,0,2]=4 17853 B15R0.2002 CCCCCCCCCCN(C)CCOC 2230a_100000207566_100011201679 [0,2,0,0,0,0|2,0,0]=4 17854 B15R0.2002 CCCCCCCCCCN(C)CCOC 2230a_100000743101_100000210320 [0,2,0,0,0,0|2,0,0]=4 17855 B15R0.2002 CCCCCCCCCCN(C)CCOC 269982a_100000207566_100000233755 [0,2,0,0,0,0|2,0,0]=4 17856 B15R0.2002 CCCCCCCCCCN(C)CCOC 269982a_100000743101_100000210320 [0,2,0,0,0,0|2,0,0]=4 17857 B15R0.2002 CCCCCCCCCCN(C)CCSC 2230a_100000207566_100000751147 [0,2,0,0,0,0|2,0,0]=4 17858 B15R0.2002 CCCCCCCCCCN(C)CCSC 2230a_100000686725_100000210320 [0,2,0,0,0,0|2,0,0]=4 17859 B15R0.2002 CCCCCCCCCCN(C)CCSC 269982a_100000207566_100000212216 [0,2,0,0,0,0|2,0,0]=4 17860 B15R0.2002 CCCCCCCCCCN(C)CCSC 269982a_100000686725_100000210320 [0,2,0,0,0,0|2,0,0]=4 17861 B15R0.2002 CCCCCCCCCNC(C)CCCC 2230a_100000126638_100011214924 [0,2,0,0,0,0|1,0,1]=4 17862 B15R0.2002 CCCCCCCCCNC(C)CCCC 2230a_100000212291_200011215066 [0,2,0,0,0,0|1,0,1]=4 17863 B15R0.2002 CCCCCCCCCNC(C)CCCC 270004a_100000212291_100000210087 [0,2,0,0,0,0|1,0,1]=4 17864 B15R0.2002 CCCCCCCCCNC(C)CCCC 34a_100000212291_200011215066 [0,2,0,0,0,0|1,0,1]=4 17865 B15R0.2002 CCCCCCCCCNC(C)CCOC 270004a_100000212291_100000742357 [0,2,0,0,0,0|2,0,0]=4 17866 B15R0.2002 CCCCCCCCCNC(C)CCSC 270004a_100000212291_100011217047 [0,2,0,0,0,0|2,0,0]=4 17867 B15R0.2002 CCCCCCCCCOC(C)CCCC 34a_100000210712_200011215066 [0,2,0,0,0,0|1,0,1]=4 17868 B15R0.2002 CCCCCCCCCOC(C)CCCC 34a_100000687866_100011214924 [0,2,0,0,0,0|1,0,1]=4 17869 B15R0.2002 CCCCCCCCCOC(C)CCCC 7a_100000210712_200011215066 [0,2,0,0,0,0|1,0,1]=4 17870 B15R0.2002 CCCCCCCCCOC(C)CCCC 7a_100000687866_100000210328 [0,2,0,0,0,0|1,0,1]=4 17871 B15R0.2002 CCCCCCCCCOC(C)CCCCl 34a_200000718107_100011214924 [0,2,0,0,0,0|1,0,1]=4 17872 B15R0.2002 CCCCCCCCCOC(C)CCCCl 7a_200000718107_100000210328 [0,2,0,0,0,0|1,0,1]=4 17873 B15R0.2002 CCCCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210759 [0,2,0,0,0,0|0,0,2]=4 17874 B15R0.2002 CCCCCCCCNC[C@H](C)CCCO 34a_100160569302_100000210759 [0,2,0,0,0,0|0,0,2]=4 17875 B15R0.2002 CCCCCCCCOCC(C)CCCC 34a_100011995851_100000210759 [0,2,0,0,0,0|1,0,1]=4 17876 B15R0.2002 CCCCCCCCOCC(C)CCCC 7a_100011995851_100000210759 [0,2,0,0,0,0|1,0,1]=4 17877 B15R0.2002 CCCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100000210759 [0,2,0,0,0,0|1,0,1]=4 17878 B15R0.2002 CCCCCCCCOC[C@@H](N)CCSC 34a_100011827619_100000210759 [0,2,0,0,0,0|2,0,0]=4 17879 B15R0.2002 CCCCCOCCCCC(C)CCCC 34a_200011021034_100000718602 [0,2,0,0,0,0|1,0,1]=4 17880 B15R0.2002 CCCCCOCCCCC(C)CCCC 7a_200011021034_100000210326 [0,2,0,0,0,0|1,0,1]=4 17881 B15R0.2002 CCCCN(C)CCCCCCCCCO 2230a_100000207549_100009813782 [0,2,0,0,0,0|0,0,2]=4 17882 B15R0.2002 CCCCN(C)CCCCCCCCCO 269982a_100000207549_100009813782 [0,2,0,0,0,0|0,0,2]=4 17883 B15R0.2002 CCCC[C@H](N)COCCCCCCCO 34a_100011934283_100000760002 [0,2,0,0,0,0|0,0,2]=4 17884 B15R0.2002 CCCC[C@H](N)COCCCCCCOC 34a_100011934283_100011998445 [0,2,0,0,0,0|2,0,0]=4 17885 B15R0.2002 CCCNC(=O)CCCSCCCCC=O 62a_100000139335_100011194427 [0,2,0,0,0,0|1,0,1]=4 17886 B15R0.2002 CCCNC(=O)CCCSCCCCC=O 62a_100011194427_100000139335 [0,2,0,0,0,0|1,0,1]=4 17887 B15R0.69 C=C(C)CC(=O)CCCCCCCCCC 1458a_100000210375_100000748629 [0,2,0,0,0,0|1,0,1]=4 17888 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 2230a_100000207566_100000748629 [0,2,0,0,0,0|2,0,0]=4 17889 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 2230a_100000225649_100000210320 [0,2,0,0,0,0|2,0,0]=4 17890 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 269982a_100000207566_100000748629 [0,2,0,0,0,0|2,0,0]=4 17891 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 269982a_100000225649_100000210320 [0,2,0,0,0,0|2,0,0]=4 17892 B15R0.69 C=C(F)CC(=O)CCCCCCCCCC 1458a_100000210375_100009893438 [0,2,0,0,0,0|1,0,1]=4 17893 B15R0.69 C=C(F)CN(C)CCCCCCCCCC 2230a_100000207566_100009893438 [0,2,0,0,0,0|2,0,0]=4 17894 B15R0.69 C=C(F)CN(C)CCCCCCCCCC 269982a_100000207566_100009893438 [0,2,0,0,0,0|2,0,0]=4 17895 B15R0.69 C=CCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100011933949 [0,2,0,0,0,0|1,0,1]=4 17896 B15R0.69 C=CCCCCCCCCC(=O)CC(C)C 1458a_100000211349_100000210624 [0,2,0,0,0,0|1,0,1]=4 17897 B15R0.69 C=CCCCCCCCCC(=O)CC(C)O 1458a_100000211349_100011218427 [0,2,0,0,0,0|1,0,1]=4 17898 B15R0.69 C=CCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011933949 [0,2,0,0,0,0|1,0,1]=4 17899 B15R0.69 C=CCCCCCCCCN(C)CC(C)C 2230a_100000747067_100011933949 [0,2,0,0,0,0|2,0,0]=4 17900 B15R0.69 C=CCCCCCCCCN(C)CC(C)C 269982a_100000747067_100011933949 [0,2,0,0,0,0|2,0,0]=4 17901 B15R0.69 C=CCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011933949 [0,2,0,0,0,0|2,0,0]=4 17902 B15R0.69 C=CCCCCCCCCN(C)CC(C)O 269982a_100000227577_100011933949 [0,2,0,0,0,0|2,0,0]=4 17903 B15R0.69 C=CCCCCCCCNC(C)CC(C)C 2230a_100000692259_100012355270 [0,2,0,0,0,0|2,0,0]=4 17904 B15R0.69 C=CCCCCCCCOC(C)CC(C)C 34a_100000211805_100012355270 [0,2,0,0,0,0|2,0,0]=4 17905 B15R0.69 C=CCCCCCCCOC(C)CC(C)C 34a_100000730831_100000731052 [0,2,0,0,0,0|2,0,0]=4 17906 B15R0.69 C=CCCCCCCCOC(C)CC(C)C 7a_100000211805_100012355270 [0,2,0,0,0,0|2,0,0]=4 17907 B15R0.69 C=CCCCCCCCOC(C)CC(C)C 7a_100000730831_100000731052 [0,2,0,0,0,0|2,0,0]=4 17908 B15R0.69 C=CCCCCCCCSC(C)CC(C)C 62a_100000731052_100012355270 [0,2,0,0,0,0|2,0,0]=4 17909 B15R0.69 C=CCCCCCCCSC(C)CC(C)C 62a_100012355270_100000731052 [0,2,0,0,0,0|2,0,0]=4 17910 B15R0.69 C=CCCCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100011215473 [0,2,0,0,0,0|2,0,0]=4 17911 B15R0.69 C=CCCCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000700193 [0,2,0,0,0,0|2,0,0]=4 17912 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100000210375_100000187820 [0,2,0,0,0,0|0,0,1]=3 17913 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210319 [0,2,0,0,0,0|0,0,1]=3 17914 B15R0.69 CCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210375_100020667443 [0,2,0,0,0,0|0,0,1]=3 17915 B15R0.69 CCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210375_100000761209 [0,2,0,0,0,0|1,0,1]=4 17916 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000207566_100000747473 [0,2,0,0,0,0|1,0,0]=3 17917 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210320 [0,2,0,0,0,0|1,0,0]=3 17918 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 269982a_100000207566_100000187820 [0,2,0,0,0,0|1,0,0]=3 17919 B15R0.69 CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210320 [0,2,0,0,0,0|1,0,0]=3 17920 B15R0.69 CCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000207566_100020667443 [0,2,0,0,0,0|1,0,0]=3 17921 B15R0.69 CCCCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000207566_100000761209 [0,2,0,0,0,0|2,0,0]=4 17922 B15R0.69 CCCCCCCCCNC(=O)CC(=O)N 240690a_100000212291_100134613110 [0,2,0,0,0,0|1,0,1]=4 17923 B15R0.69 CCCCCCCCCNC(=O)CC(=O)N 527a_100000212291_100134613110 [0,2,0,0,0,0|1,0,1]=4 17924 B15R0.69 CCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210670 [0,2,0,0,0,0|2,0,0]=4 17925 B15R0.69 CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210759 [0,2,0,0,0,0|1,0,0]=3 17926 B15R0.69 CCCCCCCCOCC(=O)CC(=O)N 1458a_100000759886_100000187820 [0,2,0,0,0,0|1,0,1]=4 17927 B15R0.69 CCCCCCCCOCC(=O)CC(=O)[O-] 1458a_100000759886_100020667443 [0,2,0,0,0,0|1,0,1]=4 17928 B15R0.69 CN(CCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813782 [0,2,0,0,0,0|2,0,0]=4 17929 B15R0.69 CN(CCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813782 [0,2,0,0,0,0|2,0,0]=4 17930 B15R0.69 COCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011998445 [0,2,0,0,0,0|2,0,0]=4 17931 B15R0.69 NC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000187820 [0,2,0,0,0,0|1,0,1]=4 17932 B15R0.69 NC(=O)CC(=O)CCCCCCCCCO 1458a_100134613110_100009813782 [0,2,0,0,0,0|1,0,1]=4 17933 B15R0.69 O=C(O)CC(O)CNCCCCCCCO 269956a_100011218706_100000760002 [0,2,0,0,0,0|2,0,0]=4 17934 B15R0.69 O=C([O-])CC(=O)CCCCCCCCCF 1458a_200009909015_100020667443 [0,2,0,0,0,0|1,0,1]=4 17935 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 34a_100011713154_100009817362 [0,2,0,0,0,0|1,0,0]=3 17936 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 7a_100011713154_100000735457 [0,2,0,0,0,0|1,0,0]=3 17937 B15R0.111 CCCC(C)CCCOCCCOC(=O)C 34a_100011713154_100000042594 [0,2,0,0,0,0|2,0,0]=4 17938 B15R0.111 CCCC(C)CCCOCCCOC(=O)C 7a_100011713154_100000042594 [0,2,0,0,0,0|2,0,0]=4 17939 B15R0.111 CCCC(C)CCCOCCCSC(=O)C 34a_100011713154_100000038929 [0,2,0,0,0,0|2,0,0]=4 17940 B15R0.111 CCCC(C)CCCOCCCSC(=O)C 7a_100011713154_100000038929 [0,2,0,0,0,0|2,0,0]=4 17941 B15R0.111 CCCC(C)CCCOCCOCC(=O)N 34a_100011713154_100000076697 [0,2,0,0,0,0|2,0,0]=4 17942 B15R0.111 CCCC(C)CCCOCCOCC(=O)N 7a_100011713154_100000076697 [0,2,0,0,0,0|2,0,0]=4 17943 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 34a_100011217855_100009817443 [0,2,0,0,0,0|1,0,0]=3 17944 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 7a_100011217855_100009817443 [0,2,0,0,0,0|1,0,0]=3 17945 B15R0.111 CCCC(C)CCOCCCCOC(=O)C 34a_100011217855_100000033659 [0,2,0,0,0,0|2,0,0]=4 17946 B15R0.111 CCCC(C)CCOCCCCOC(=O)C 7a_100011217855_100000033659 [0,2,0,0,0,0|2,0,0]=4 17947 B15R0.111 CCCC(C)CCOCCCCSC(=O)C 34a_100011217855_200010402107 [0,2,0,0,0,0|2,0,0]=4 17948 B15R0.111 CCCC(C)CCOCCCCSC(=O)C 7a_100011217855_200010402107 [0,2,0,0,0,0|2,0,0]=4 17949 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 2230a_200012022750_100011216630 [0,2,0,0,0,0|2,0,0]=4 17950 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 270004a_200012022750_100000243154 [0,2,0,0,0,0|2,0,0]=4 17951 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 34a_200012022750_100011216630 [0,2,0,0,0,0|2,0,0]=4 17952 B15R0.111 CCCC(C)COCCCCCOC(=O)C 34a_100000688023_100000033007 [0,2,0,0,0,0|2,0,0]=4 17953 B15R0.111 CCCC(C)COCCCCCOC(=O)C 7a_100000688023_100000033007 [0,2,0,0,0,0|2,0,0]=4 17954 B15R0.111 CCCC(C)CSCCCCCOC(=O)C 62a_100000033007_100011216630 [0,2,0,0,0,0|2,0,0]=4 17955 B15R0.111 CCCC(C)CSCCCCCOC(=O)C 62a_100011216630_100000033007 [0,2,0,0,0,0|2,0,0]=4 17956 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 2230a_200011996284_100000766640 [0,2,0,0,0,0|2,0,0]=4 17957 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 270004a_200011996284_100000211909 [0,2,0,0,0,0|2,0,0]=4 17958 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 34a_200011996284_100000766640 [0,2,0,0,0,0|2,0,0]=4 17959 B15R0.111 CCCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000211909 [0,2,0,0,0,0|2,0,0]=4 17960 B15R0.111 CCC[C@H](N)CCOCCCCCC(=O)N 34a_100015193777_100009817443 [0,2,0,0,0,0|1,0,0]=3 17961 B15R0.111 CCC[C@H](N)CCOCCCCOC(=O)C 34a_100015193777_100000033659 [0,2,0,0,0,0|2,0,0]=4 17962 B15R0.111 CCC[C@H](N)CCOCCCCSC(=O)C 34a_100015193777_200010402107 [0,2,0,0,0,0|2,0,0]=4 17963 B15R0.111 CCC[C@H](N)COCCCCCOC(=O)C 34a_100000732646_100000033007 [0,2,0,0,0,0|2,0,0]=4 17964 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010175975 [0,2,0,0,0,0|1,0,1]=4 17965 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_200000016031_200000210301 [0,2,0,0,0,0|1,0,1]=4 17966 B15R0.111 CCOC(=O)CCCCCCCCC(=O)[13CH3] 1458a_200000016031_200025704644 [0,2,0,0,0,0|1,0,1]=4 17967 B15R0.1157 C=CCC(C)(C)OCCCCCCCCC 7a_100011995686_100000210328 [0,2,0,0,0,0|2,0,0]=4 17968 B15R0.1157 C=CCCCCCCCOC(C)(C)CCC 7a_100000748436_100012355270 [0,2,0,0,0,0|2,0,0]=4 17969 B15R0.1157 C=CCCCCCCOCC(C)(C)CCC 7a_100011995695_100011215473 [0,2,0,0,0,0|2,0,0]=4 17970 B15R0.3222 C=CCC(C)C(=O)CCCCCCCCC 1458a_100011216819_100000210670 [0,2,0,0,0,0|1,0,1]=4 17971 B15R0.3222 C=CCCCCCCCC(=O)C(C)CCC 1458a_100000210906_100012355270 [0,2,0,0,0,0|1,0,1]=4 17972 B15R0.3222 C=CCCCCCCCC(=O)C(C)CCC 1458a_100011216160_100000766640 [0,2,0,0,0,0|1,0,1]=4 17973 B15R0.3222 C=CCCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100012355270 [0,2,0,0,0,0|1,0,1]=4 17974 B15R0.3222 C=CCCCCCCOC(C)C(C)CCC 34a_100000708338_100011215473 [0,2,0,0,0,0|2,0,0]=4 17975 B15R0.3222 C=CCCCCCCOC(C)C(C)CCC 7a_100000708338_100011215473 [0,2,0,0,0,0|2,0,0]=4 17976 B15R0.3222 C=CCN(C)C(C)CCCCCCCCC 270004a_100000225617_100011215753 [0,2,0,0,0,0|2,0,0]=4 17977 B15R0.3228 C#CC(CCC)OCCCCCCCC=C 34a_200011217317_100012355270 [0,2,0,0,0,0|2,0,0]=4 17978 B15R0.3228 C#CC(CCC)OCCCCCCCC=C 7a_200011217317_100012355270 [0,2,0,0,0,0|2,0,0]=4 17979 B15R0.3228 C=CCC(C=C)OCCCCCCCCC 34a_100000038011_100011214924 [0,2,0,0,0,0|2,0,0]=4 17980 B15R0.3228 C=CCC(C=C)OCCCCCCCCC 7a_100000038011_100000210328 [0,2,0,0,0,0|2,0,0]=4 17981 B15R0.3228 C=CCCCCCCCCN(CC)CCC 2230a_100000226822_100011933949 [0,2,0,0,0,0|2,0,0]=4 17982 B15R0.3228 C=CCCCCCCCCN(CC)CCC 269982a_100000226822_100011933949 [0,2,0,0,0,0|2,0,0]=4 17983 B15R0.3228 C=CCCCCCCCNC(CC)CCC 2230a_100000747048_100012355270 [0,2,0,0,0,0|2,0,0]=4 17984 B15R0.3228 C=CCCCCCCCN[C@H](CO)CCC 2230a_100000732646_100012355270 [0,2,0,0,0,0|2,0,0]=4 17985 B15R0.3228 C=CCCCCCCCN[C@H](CO)CCC 34a_100000732646_100012355270 [0,2,0,0,0,0|2,0,0]=4 17986 B15R0.3228 C=CCCCCCCCOC(C#N)CCC 34a_100000686963_100012355270 [0,2,0,0,0,0|2,0,0]=4 17987 B15R0.3228 C=CCCCCCCCOC(C#N)CCC 7a_100000686963_100012355270 [0,2,0,0,0,0|2,0,0]=4 17988 B15R0.3228 C=CCCCCCCCOC(C=C)CCC 34a_100011216692_100012355270 [0,2,0,0,0,0|2,0,0]=4 17989 B15R0.3228 C=CCCCCCCCOC(C=C)CCC 7a_100011216692_100012355270 [0,2,0,0,0,0|2,0,0]=4 17990 B15R0.3228 C=CCCCCCCCOC(CC)CCC 34a_100000687864_100012355270 [0,2,0,0,0,0|2,0,0]=4 17991 B15R0.3228 C=CCCCCCCCOC(CC)CCC 7a_100000687864_100012355270 [0,2,0,0,0,0|2,0,0]=4 17992 B15R0.3228 C=CCCCCCCCOC(CC)CCC 7a_100000730831_100011219200 [0,2,0,0,0,0|2,0,0]=4 17993 B15R0.3228 C=CCCCCCCCSC(CC)CCC 62a_100011219200_100012355270 [0,2,0,0,0,0|2,0,0]=4 17994 B15R0.3228 C=CCCCCCCCSC(CC)CCC 62a_100012355270_100011219200 [0,2,0,0,0,0|2,0,0]=4 17995 B15R0.3228 C=CCCCCCOCCC(CCC)SC 34a_100000032865_100000700193 [0,2,0,0,0,0|2,0,0]=4 17996 B15R0.3228 C=CCCCCCOCCC(CCC)SC 7a_100000032865_100000700193 [0,2,0,0,0,0|2,0,0]=4 17997 B15R0.3228 C=CC[C@H](CO)NCCCCCCCCC 2230a_100020615467_100011214924 [0,2,0,0,0,0|2,0,0]=4 17998 B15R0.3228 CCCC(CCOCCCCCC=O)SC 7a_100000032865_100000139337 [0,2,0,0,0,0|1,0,0]=3 17999 B15R0.88 C=C(C)CCC(=O)CCCCCCCCC 1458a_100000210558_100000730704 [0,2,0,0,0,0|1,0,1]=4 18000 B15R0.88 C=C(C)CCC(=O)CCCCCCCCC 1458a_200000688413_100000210670 [0,2,0,0,0,0|1,0,1]=4 18001 B15R0.88 C=C(C)CCC(C)NCCCCCCCC 270004a_100000229939_100011215600 [0,2,0,0,0,0|2,0,0]=4 18002 B15R0.88 C=C(C)CCN(C)CCCCCCCCC 2230a_100000232482_100000730704 [0,2,0,0,0,0|2,0,0]=4 18003 B15R0.88 C=C(C)CCN(C)CCCCCCCCC 269982a_100000232482_100000730704 [0,2,0,0,0,0|2,0,0]=4 18004 B15R0.88 C=C(C)COC(C)CCCCCCCCC 34a_100011218016_100000748629 [0,2,0,0,0,0|2,0,0]=4 18005 B15R0.88 C=C(C)COC(C)CCCCCCCCC 7a_100011218016_100000748629 [0,2,0,0,0,0|2,0,0]=4 18006 B15R0.88 C=C(F)COC(C)CCCCCCCCC 34a_100011218016_100009893438 [0,2,0,0,0,0|2,0,0]=4 18007 B15R0.88 C=C(F)COC(C)CCCCCCCCC 7a_100011218016_100000042424 [0,2,0,0,0,0|2,0,0]=4 18008 B15R0.88 C=CCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100012355270 [0,2,0,0,0,0|1,0,1]=4 18009 B15R0.88 C=CCCCCCCCC(=O)CCC(C)C 1458a_100011216160_100000210312 [0,2,0,0,0,0|1,0,1]=4 18010 B15R0.88 C=CCCCCCCCC(=O)CCC(C)O 1458a_100011216160_100012276601 [0,2,0,0,0,0|1,0,1]=4 18011 B15R0.88 C=CCCCCCCCN(C)CCC(C)C 2230a_100000742789_100012355270 [0,2,0,0,0,0|2,0,0]=4 18012 B15R0.88 C=CCCCCCCCN(C)CCC(C)C 269982a_100000742789_100012355270 [0,2,0,0,0,0|2,0,0]=4 18013 B15R0.88 C=CCCCCCCNC(C)CCC(C)C 2230a_100138410893_100011215473 [0,2,0,0,0,0|2,0,0]=4 18014 B15R0.88 C=CCCCCCCOC(C)CCC(C)C 34a_100011215350_100011215473 [0,2,0,0,0,0|2,0,0]=4 18015 B15R0.88 C=CCCCCCCOC(C)CCC(C)C 34a_200011216477_100011261404 [0,2,0,0,0,0|2,0,0]=4 18016 B15R0.88 C=CCCCCCCOC(C)CCC(C)C 7a_100011215350_100011215473 [0,2,0,0,0,0|2,0,0]=4 18017 B15R0.88 C=CCCCCCCSC(C)CCC(C)C 62a_100011215473_100011261404 [0,2,0,0,0,0|2,0,0]=4 18018 B15R0.88 C=CCCCCCCSC(C)CCC(C)C 62a_100011261404_100011215473 [0,2,0,0,0,0|2,0,0]=4 18019 B15R0.88 CCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210670 [0,2,0,0,0,0|0,0,1]=3 18020 B15R0.88 CCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210670 [0,2,0,0,0,0|1,0,1]=4 18021 B15R0.88 CCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210670 [0,2,0,0,0,0|1,0,1]=4 18022 B15R0.88 CCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210670 [0,2,0,0,0,0|1,0,1]=4 18023 B15R0.88 CCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210670 [0,2,0,0,0,0|1,0,1]=4 18024 B15R0.88 CCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210670 [0,2,0,0,0,0|1,0,1]=4 18025 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210558 [0,2,0,0,0,0|1,0,1]=4 18026 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210558 [0,2,0,0,0,0|1,0,1]=4 18027 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000210558 [0,2,0,0,0,0|1,0,1]=4 18028 B15R0.88 CCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_200010990708 [0,2,0,0,0,0|1,0,1]=4 18029 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 34a_100011218016_100000187820 [0,2,0,0,0,0|1,0,0]=3 18030 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 7a_100011218016_100000187820 [0,2,0,0,0,0|1,0,0]=3 18031 B15R0.88 CCCCCCCCCC(C)OCC(=O)[O-] 34a_100011218016_100020667443 [0,2,0,0,0,0|1,0,0]=3 18032 B15R0.88 CCCCCCCCCC(C)OC[N+](=O)[O-] 34a_100011218016_100000761209 [0,2,0,0,0,0|2,0,0]=4 18033 B15R0.88 CCCCCCCCCN(C)CCC(=O)C 269982a_100000232482_100000053229 [0,2,0,0,0,0|1,0,0]=3 18034 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000232482_100000744528 [0,2,0,0,0,0|1,0,0]=3 18035 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011214924 [0,2,0,0,0,0|1,0,0]=3 18036 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 269982a_100000232482_100000744528 [0,2,0,0,0,0|1,0,0]=3 18037 B15R0.88 CCCCCCCCCN(C)COC(=O)C 269982a_100000232482_100000076356 [0,2,0,0,0,0|2,0,0]=4 18038 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N 240690a_100000229939_100011215257 [0,2,0,0,0,0|1,0,1]=4 18039 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N 527a_100000229939_100011215257 [0,2,0,0,0,0|1,0,1]=4 18040 B15R0.88 CCCCCCCCNC(C)COC(=O)C 270004a_100000229939_100000000629 [0,2,0,0,0,0|2,0,0]=4 18041 B15R0.88 CCCCCCCNCC(C)CSC(=O)C 2230a_100000229938_200000116872 [0,2,0,0,0,0|2,0,0]=4 18042 B15R0.88 CCCCCCCOCC(C)CSC(=O)C 34a_100000210272_200000116872 [0,2,0,0,0,0|2,0,0]=4 18043 B15R0.88 CCCCCCCOCC(C)CSC(=O)C 7a_100000210272_200000116872 [0,2,0,0,0,0|2,0,0]=4 18044 B15R0.88 CCCCCCCOCC(O)COC(=O)C 34a_100000210272_200000139349 [0,2,0,0,0,0|2,0,0]=4 18045 B15R0.88 CCCCCCCOCC(O)COC(=O)C 7a_100000210272_200000139349 [0,2,0,0,0,0|2,0,0]=4 18046 B15R0.88 CCCCCCCSCC(C)CSC(=O)C 62a_100000210614_200000116872 [0,2,0,0,0,0|2,0,0]=4 18047 B15R0.88 CCCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210316 [0,2,0,0,0,0|2,0,0]=4 18048 B15R0.88 CCCCCCCSCC(O)COC(=O)C 62a_100000210614_200000139349 [0,2,0,0,0,0|2,0,0]=4 18049 B15R0.88 CCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210316 [0,2,0,0,0,0|2,0,0]=4 18050 B15R0.88 CN(CCCCCCCCO)CCC(=O)N 2230a_100000730477_100000033203 [0,2,0,0,0,0|2,0,0]=4 18051 B15R0.88 NC(=O)CCC(=O)CCCCCCCCO 1458a_100011215257_100000033203 [0,2,0,0,0,0|1,0,1]=4 18052 B15R0.210 C=C(C)CCOCCCCC(C)CCCC 34a_200011021034_100000730704 [0,2,0,0,0,0|2,0,0]=4 18053 B15R0.210 C=C(C)CCOCCCCC(C)CCCC 7a_200011021034_100000730704 [0,2,0,0,0,0|2,0,0]=4 18054 B15R0.210 C=CCCC(C)NCCCCCCC(C)C 270004a_100000211014_100000762624 [0,2,0,0,0,0|2,0,0]=4 18055 B15R0.210 CCCCC(C)CCCCOCCC(=O)C 7a_200011021034_100000053229 [0,2,0,0,0,0|1,0,0]=3 18056 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 34a_200011021034_100000731001 [0,2,0,0,0,0|1,0,0]=3 18057 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 7a_200011021034_100000744528 [0,2,0,0,0,0|1,0,0]=3 18058 B15R0.210 CCCCC(C)CCCCOCOC(=O)C 34a_200011021034_100009813279 [0,2,0,0,0,0|2,0,0]=4 18059 B15R0.210 CCCCC(C)COCCCCCC(=O)N 34a_100011995851_100009817443 [0,2,0,0,0,0|1,0,0]=3 18060 B15R0.210 CCCCC(C)COCCCCCC(=O)N 7a_100011995851_100009817443 [0,2,0,0,0,0|1,0,0]=3 18061 B15R0.210 CCCCC(C)COCCCCOC(=O)C 34a_100011995851_100000033659 [0,2,0,0,0,0|2,0,0]=4 18062 B15R0.210 CCCCC(C)COCCCCOC(=O)C 7a_100011995851_100000033659 [0,2,0,0,0,0|2,0,0]=4 18063 B15R0.210 CCCCC(C)COCCCCSC(=O)C 34a_100011995851_200010402107 [0,2,0,0,0,0|2,0,0]=4 18064 B15R0.210 CCCCC(C)COCCCCSC(=O)C 7a_100011995851_200010402107 [0,2,0,0,0,0|2,0,0]=4 18065 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 2230a_200012022750_200011215066 [0,2,0,0,0,0|2,0,0]=4 18066 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000210087 [0,2,0,0,0,0|2,0,0]=4 18067 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 34a_200012022750_200011215066 [0,2,0,0,0,0|2,0,0]=4 18068 B15R0.210 CCCCC(C)NCCCCCOC(=O)C 2230a_100000126638_100009813381 [0,2,0,0,0,0|2,0,0]=4 18069 B15R0.210 CCCCC(C)OCCCCCOC(=O)C 34a_100000687866_100000033007 [0,2,0,0,0,0|2,0,0]=4 18070 B15R0.210 CCCCC(C)OCCCCCOC(=O)C 7a_100000687866_100000033007 [0,2,0,0,0,0|2,0,0]=4 18071 B15R0.210 CCCCC(C)SCCCCCOC(=O)C 62a_100000033007_200011215066 [0,2,0,0,0,0|2,0,0]=4 18072 B15R0.210 CCCCC(C)SCCCCCOC(=O)C 62a_200011215066_100000033007 [0,2,0,0,0,0|2,0,0]=4 18073 B15R0.210 CCCC[C@H](N)COCCCCCC(=O)N 34a_100011934283_100009817443 [0,2,0,0,0,0|1,0,0]=3 18074 B15R0.210 CCCC[C@H](N)COCCCCOC(=O)C 34a_100011934283_100000033659 [0,2,0,0,0,0|2,0,0]=4 18075 B15R0.210 CCCC[C@H](N)COCCCCSC(=O)C 34a_100011934283_200010402107 [0,2,0,0,0,0|2,0,0]=4 18076 B15R0.210 CCCOC(C)CNCCCCCC(=O)N 2230a_100015185124_100009817443 [0,2,0,0,0,0|2,0,0]=4 18077 B15R0.210 CCCOC(C)CNCCCCCC(=O)N 34a_100015185124_100009817443 [0,2,0,0,0,0|2,0,0]=4 18078 B15R0.210 CCOCC(O)CNCCCCCC(=O)N 2230a_102515437182_100009817443 [0,2,0,0,0,0|2,0,0]=4 18079 B15R0.210 CCOCC(O)CNCCCCCC(=O)N 34a_102515437182_100009817443 [0,2,0,0,0,0|2,0,0]=4 18080 B15R0.210 CSCC[C@H](N)COCCCCCC(=O)N 34a_100011827619_100009817443 [0,2,0,0,0,0|2,0,0]=4 18081 B15R0.210 C[C@H](CCCO)CNCCCCCC(=O)N 2230a_100160569302_100009817443 [0,2,0,0,0,0|2,0,0]=4 18082 B15R0.210 C[C@H](CCCO)CNCCCCCC(=O)N 34a_100160569302_100009817443 [0,2,0,0,0,0|2,0,0]=4 18083 B15R0.222 C=C(C)CCOCCCCCCCC(C)C 34a_200000210741_100000730704 [0,2,0,0,0,0|2,0,0]=4 18084 B15R0.222 C=C(C)CCOCCCCCCCC(C)C 7a_200000210741_100000730704 [0,2,0,0,0,0|2,0,0]=4 18085 B15R0.222 CC(=O)CCCCCCCCCCC(=O)N 1458a_100000070787_200010167045 [0,2,0,0,0,0|0,0,1]=3 18086 B15R0.222 CC(=O)CCCCNCCCCCC(C)C 34a_100011290863_100009817362 [0,2,0,0,0,0|1,0,0]=3 18087 B15R0.222 CC(=O)CCCCNCCCOCC(C)C 34a_100000205972_100009817362 [0,2,0,0,0,0|2,0,0]=4 18088 B15R0.222 CC(=O)CCCCOCCCCCC(=O)N 34a_100000123541_100009817362 [0,2,0,0,0,0|1,0,1]=4 18089 B15R0.222 CC(=O)CCCCOCCCCCC(=O)N 7a_100000123541_100000735457 [0,2,0,0,0,0|1,0,1]=4 18090 B15R0.222 CC(=O)CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000735457 [0,2,0,0,0,0|1,0,1]=4 18091 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 34a_100011995859_100009817362 [0,2,0,0,0,0|1,0,0]=3 18092 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 7a_100011995859_100000735457 [0,2,0,0,0,0|1,0,0]=3 18093 B15R0.222 CC(=O)CCCCOCCCCNC(C)C 34a_100011521146_100009817362 [0,2,0,0,0,0|2,0,0]=4 18094 B15R0.222 CC(=O)CCCCSCCCCCC(=O)N 62a_100000735457_100009817443 [0,2,0,0,0,0|1,0,1]=4 18095 B15R0.222 CC(=O)CCCCSCCCCCC(=O)N 62a_100009817443_100000735457 [0,2,0,0,0,0|1,0,1]=4 18096 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000210682_100000735457 [0,2,0,0,0,0|1,0,0]=3 18097 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000735457_100000210682 [0,2,0,0,0,0|1,0,0]=3 18098 B15R0.222 CC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100000685027 [0,2,0,0,0,0|1,0,0]=3 18099 B15R0.222 CC(=O)CCCOCCCCCNC(C)C 34a_100011629493_100000685027 [0,2,0,0,0,0|2,0,0]=4 18100 B15R0.222 CC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000053229 [0,2,0,0,0,0|1,0,0]=3 18101 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 2230a_200011996284_100000210312 [0,2,0,0,0,0|2,0,0]=4 18102 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 269862a_200011996284_100000185833 [0,2,0,0,0,0|2,0,0]=4 18103 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 34a_200011996284_100000210312 [0,2,0,0,0,0|2,0,0]=4 18104 B15R0.222 CC(=O)NCCCCCCNCCC(C)O 2230a_200011996284_100012276601 [0,2,0,0,0,0|2,0,0]=4 18105 B15R0.222 CC(=O)NCCCCCCNCCC(C)O 34a_200011996284_100012276601 [0,2,0,0,0,0|2,0,0]=4 18106 B15R0.222 CC(=O)NCCCCCNCCCC(C)C 2230a_200012022750_100011214892 [0,2,0,0,0,0|2,0,0]=4 18107 B15R0.222 CC(=O)NCCCCCNCCCC(C)C 34a_200012022750_100011214892 [0,2,0,0,0,0|2,0,0]=4 18108 B15R0.222 CC(=O)NCCCCCNCCCC(C)O 2230a_200012022750_200000718107 [0,2,0,0,0,0|2,0,0]=4 18109 B15R0.222 CC(=O)NCCCCCNCCCC(C)O 34a_200012022750_200000718107 [0,2,0,0,0,0|2,0,0]=4 18110 B15R0.222 CC(=O)NCCCCNCCCCC(C)C 2230a_200011368371_100011216152 [0,2,0,0,0,0|2,0,0]=4 18111 B15R0.222 CC(=O)NCCCCNCCCCC(C)C 34a_200011368371_100011216152 [0,2,0,0,0,0|2,0,0]=4 18112 B15R0.222 CC(=O)NCCCNCCCCCC(C)C 34a_100000736810_100000210682 [0,2,0,0,0,0|2,0,0]=4 18113 B15R0.222 CC(=O)NCCCOCCCCCC(C)C 34a_100000752032_100000210682 [0,2,0,0,0,0|2,0,0]=4 18114 B15R0.222 CC(=O)NCCNCCCCCCC(C)C 2230a_100000211014_100000189650 [0,2,0,0,0,0|2,0,0]=4 18115 B15R0.222 CC(=O)OCCCCCNCCCC(C)C 2230a_200000737386_100009813381 [0,2,0,0,0,0|2,0,0]=4 18116 B15R0.222 CC(=O)OCCCCCNCCCC(C)C 34a_200000737386_100000033007 [0,2,0,0,0,0|2,0,0]=4 18117 B15R0.222 CC(=O)OCCCCCOCCCC(C)C 34a_100000210774_100000033007 [0,2,0,0,0,0|2,0,0]=4 18118 B15R0.222 CC(=O)OCCCCCOCCCC(C)C 7a_100000210774_100000033007 [0,2,0,0,0,0|2,0,0]=4 18119 B15R0.222 CC(=O)OCCCCCSCCCC(C)C 62a_100000033007_100011214892 [0,2,0,0,0,0|2,0,0]=4 18120 B15R0.222 CC(=O)OCCCCCSCCCC(C)C 62a_100011214892_100000033007 [0,2,0,0,0,0|2,0,0]=4 18121 B15R0.222 CC(=O)OCCCCCSCCCC(C)O 62a_100000033007_200000718107 [0,2,0,0,0,0|2,0,0]=4 18122 B15R0.222 CC(=O)OCCCCCSCCCC(C)O 62a_200000718107_100000033007 [0,2,0,0,0,0|2,0,0]=4 18123 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 34a_100000073216_100011216152 [0,2,0,0,0,0|2,0,0]=4 18124 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 34a_100011214890_100000033659 [0,2,0,0,0,0|2,0,0]=4 18125 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 7a_100000073216_100011216152 [0,2,0,0,0,0|2,0,0]=4 18126 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 7a_100011214890_100000033659 [0,2,0,0,0,0|2,0,0]=4 18127 B15R0.222 CC(=O)OCCCCSCCCCC(C)C 62a_100000033659_100011216152 [0,2,0,0,0,0|2,0,0]=4 18128 B15R0.222 CC(=O)OCCCCSCCCCC(C)C 62a_100011216152_100000033659 [0,2,0,0,0,0|2,0,0]=4 18129 B15R0.222 CC(=O)OCCCNCCCCCC(C)C 34a_100011290863_100000042594 [0,2,0,0,0,0|2,0,0]=4 18130 B15R0.222 CC(=O)OCCCOCCCCCC(C)C 34a_100011995859_100000042594 [0,2,0,0,0,0|2,0,0]=4 18131 B15R0.222 CC(=O)OCCCOCCCCCC(C)C 7a_100011995859_100000042594 [0,2,0,0,0,0|2,0,0]=4 18132 B15R0.222 CC(=O)OCCCSCCCCCC(C)C 62a_100000042594_100000210682 [0,2,0,0,0,0|2,0,0]=4 18133 B15R0.222 CC(=O)OCCCSCCCCCC(C)C 62a_100000210682_100000042594 [0,2,0,0,0,0|2,0,0]=4 18134 B15R0.222 CC(=O)OCCNCCCCCCC(C)C 34a_100000211014_100009814007 [0,2,0,0,0,0|2,0,0]=4 18135 B15R0.222 CC(=O)OCOCCCCCCCC(C)C 34a_200000210741_100009813279 [0,2,0,0,0,0|2,0,0]=4 18136 B15R0.222 CC(=O)SCCCCCCNCCC(C)C 269862a_100000704104_100000185833 [0,2,0,0,0,0|2,0,0]=4 18137 B15R0.222 CC(=O)SCCCCOCCCCC(C)C 34a_100011214890_200010402107 [0,2,0,0,0,0|2,0,0]=4 18138 B15R0.222 CC(=O)SCCCCOCCCCC(C)C 7a_100011214890_200010402107 [0,2,0,0,0,0|2,0,0]=4 18139 B15R0.222 CC(=O)SCCCCSCCCCC(C)C 62a_100011216152_200010402107 [0,2,0,0,0,0|2,0,0]=4 18140 B15R0.222 CC(=O)SCCCCSCCCCC(C)C 62a_200010402107_100011216152 [0,2,0,0,0,0|2,0,0]=4 18141 B15R0.222 CC(=O)SCCCNCCCCCC(C)C 2230a_100011290863_100000038929 [0,2,0,0,0,0|2,0,0]=4 18142 B15R0.222 CC(=O)SCCCNCCCCCC(C)C 34a_100011290863_100000038929 [0,2,0,0,0,0|2,0,0]=4 18143 B15R0.222 CC(=O)SCCCOCCCCCC(C)C 34a_100011995859_100000038929 [0,2,0,0,0,0|2,0,0]=4 18144 B15R0.222 CC(=O)SCCCOCCCCCC(C)C 7a_100011995859_100000038929 [0,2,0,0,0,0|2,0,0]=4 18145 B15R0.222 CC(=O)SCCCSCCCCCC(C)C 62a_100000038929_100000210682 [0,2,0,0,0,0|2,0,0]=4 18146 B15R0.222 CC(=O)SCCCSCCCCCC(C)C 62a_100000210682_100000038929 [0,2,0,0,0,0|2,0,0]=4 18147 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 34a_200000210741_100000731001 [0,2,0,0,0,0|1,0,0]=3 18148 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 7a_200000210741_100000744528 [0,2,0,0,0,0|1,0,0]=3 18149 B15R0.222 CC(C)CCCCCCNCCCC(=O)N 34a_100000211014_100102525003 [0,2,0,0,0,0|1,0,0]=3 18150 B15R0.222 CC(C)CCCCCCNCCNC(=O)N 2230a_100000211014_200000034859 [0,2,0,0,0,0|2,0,0]=4 18151 B15R0.222 CC(C)CCCCCCNCCOC(=O)N 34a_100000211014_200011214921 [0,2,0,0,0,0|2,0,0]=4 18152 B15R0.222 CC(C)CCCCCNCCCCC(=O)N 34a_100000696515_100000210682 [0,2,0,0,0,0|1,0,0]=3 18153 B15R0.222 CC(C)CCCCCNCCOCC(=O)N 2230a_100011290863_100000076697 [0,2,0,0,0,0|2,0,0]=4 18154 B15R0.222 CC(C)CCCCCNCCOCC(=O)N 34a_100011290863_100000076697 [0,2,0,0,0,0|2,0,0]=4 18155 B15R0.222 CC(C)CCCCCNCCOCC(=O)O 269956a_100000700818_100000210682 [0,2,0,0,0,0|2,0,0]=4 18156 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 34a_100012022536_100000210682 [0,2,0,0,0,0|1,0,0]=3 18157 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 7a_100012022536_100000210682 [0,2,0,0,0,0|1,0,0]=3 18158 B15R0.222 CC(C)CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210682 [0,2,0,0,0,0|2,0,0]=4 18159 B15R0.222 CC(C)CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210682 [0,2,0,0,0,0|2,0,0]=4 18160 B15R0.222 CC(C)CCCCCOCCOCC(=O)N 34a_100011995859_100000076697 [0,2,0,0,0,0|2,0,0]=4 18161 B15R0.222 CC(C)CCCCCOCCOCC(=O)N 7a_100011995859_100000076697 [0,2,0,0,0,0|2,0,0]=4 18162 B15R0.222 CC(C)CCCCCSCCOCC(=O)N 62a_100000076697_100000210682 [0,2,0,0,0,0|2,0,0]=4 18163 B15R0.222 CC(C)CCCCCSCCOCC(=O)N 62a_100000210682_100000076697 [0,2,0,0,0,0|2,0,0]=4 18164 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100000123541_100011216152 [0,2,0,0,0,0|1,0,0]=3 18165 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100011214890_100009817443 [0,2,0,0,0,0|1,0,0]=3 18166 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100000123541_100011216152 [0,2,0,0,0,0|1,0,0]=3 18167 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100011214890_100009817443 [0,2,0,0,0,0|1,0,0]=3 18168 B15R0.222 CC(C)CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011216152 [0,2,0,0,0,0|1,0,0]=3 18169 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100009817443_100011216152 [0,2,0,0,0,0|1,0,0]=3 18170 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100011216152_100009817443 [0,2,0,0,0,0|1,0,0]=3 18171 B15R0.222 CC(C)CNCCOCCCCCC(=O)N 34a_100015185251_100009817443 [0,2,0,0,0,0|2,0,0]=4 18172 B15R0.222 CC(C)COCCOCCCCCC(=O)N 34a_100000703358_100009817443 [0,2,0,0,0,0|2,0,0]=4 18173 B15R0.222 CC(C)COCCOCCCCCC(=O)N 7a_100000703358_100009817443 [0,2,0,0,0,0|2,0,0]=4 18174 B15R0.222 CC(C)CSCCOCCCCCC(=O)N 34a_200000230437_100009817443 [0,2,0,0,0,0|2,0,0]=4 18175 B15R0.222 CC(C)CSCCOCCCCCC(=O)N 7a_200000230437_100009817443 [0,2,0,0,0,0|2,0,0]=4 18176 B15R0.222 CC(C)NCCCCCOCCCC(=O)N 34a_100011629493_100102525003 [0,2,0,0,0,0|2,0,0]=4 18177 B15R0.222 CC(C)NCCCOCCCCCC(=O)N 34a_100000182298_100009817443 [0,2,0,0,0,0|2,0,0]=4 18178 B15R0.222 CC(C)OCCCNCCCCCC(=O)N 2230a_100000737246_100009817443 [0,2,0,0,0,0|2,0,0]=4 18179 B15R0.222 CC(C)OCCCNCCCCCC(=O)N 34a_100000737246_100009817443 [0,2,0,0,0,0|2,0,0]=4 18180 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 2230a_100102631434_200010167045 [0,2,0,0,0,0|1,0,0]=3 18181 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 269982a_100102631434_200010167045 [0,2,0,0,0,0|1,0,0]=3 18182 B15R0.222 CN(C)CCCCSCCCCCC(=O)N 62a_100009817443_100000690147 [0,2,0,0,0,0|2,0,0]=4 18183 B15R0.252 C=CCCCCCCCCCNC(C)(C)C 2230a_100000715429_100009814027 [0,2,0,0,0,0|2,0,0]=4 18184 B15R0.252 C=CCCCCCCCCCNC(C)(C)C 34a_100000081888_100000210625 [0,2,0,0,0,0|2,0,0]=4 18185 B15R0.252 C=CCCCCCCCCCOC(C)(C)C 34a_100000038209_100000210625 [0,2,0,0,0,0|2,0,0]=4 18186 B15R0.252 C=CCCCCCCCCCOC(C)(C)C 34a_100015890283_100009814027 [0,2,0,0,0,0|2,0,0]=4 18187 B15R0.252 C=CCCCCCCCCCOC(C)(C)C 7a_100015890283_100009814027 [0,2,0,0,0,0|2,0,0]=4 18188 B15R0.252 C=CCCCCCCCCCSC(C)(C)C 62a_100000211941_100009814027 [0,2,0,0,0,0|2,0,0]=4 18189 B15R0.252 C=CCCCCCCCCCSC(C)(C)C 62a_100009814027_100000211941 [0,2,0,0,0,0|2,0,0]=4 18190 B15R0.252 C=CCCCCCCCCNCC(C)(C)C 2230a_100000743828_100011933949 [0,2,0,0,0,0|2,0,0]=4 18191 B15R0.252 C=CCCCCCCCCNCC(C)(C)F 2230a_100020643315_100011933949 [0,2,0,0,0,0|2,0,0]=4 18192 B15R0.252 C=CCCCCCCCCNCC(C)(C)O 2230a_100000751335_100011933949 [0,2,0,0,0,0|2,0,0]=4 18193 B15R0.252 C=CCCCCCCCCOCC(C)(C)C 34a_100011215194_100011219605 [0,2,0,0,0,0|2,0,0]=4 18194 B15R0.252 C=CCCCCCCCCOCC(C)(C)F 34a_100000716592_100011933949 [0,2,0,0,0,0|2,0,0]=4 18195 B15R0.252 C=CCCCCCCCCOCC(C)(C)F 34a_100011215194_100011997219 [0,2,0,0,0,0|2,0,0]=4 18196 B15R0.252 C=CCCCCCCCCOCC(C)(C)O 34a_100011215194_100000764493 [0,2,0,0,0,0|2,0,0]=4 18197 B15R0.252 C=CCCCCCCCCOCC(C)(C)O 7a_100011215194_100000764493 [0,2,0,0,0,0|2,0,0]=4 18198 B15R0.252 C=CCCCCCCCCOCC(C)(F)F 34a_100000068830_100011933949 [0,2,0,0,0,0|2,0,0]=4 18199 B15R0.252 C=CCCCCCCCCSCC(C)(C)C 62a_100011219605_100011933949 [0,2,0,0,0,0|2,0,0]=4 18200 B15R0.252 C=CCCCCCCCCSCC(C)(C)C 62a_100011933949_100011219605 [0,2,0,0,0,0|2,0,0]=4 18201 B15R0.252 C=CCCCCCCCCSCC(C)(C)F 62a_100011933949_100011997219 [0,2,0,0,0,0|2,0,0]=4 18202 B15R0.252 C=CCCCCCCCCSCC(C)(C)F 62a_100011997219_100011933949 [0,2,0,0,0,0|2,0,0]=4 18203 B15R0.252 C=CCCCCCCCCSCC(C)(C)O 62a_100000764493_100011933949 [0,2,0,0,0,0|2,0,0]=4 18204 B15R0.252 C=CCCCCCCCCSCC(C)(C)O 62a_100011933949_100000764493 [0,2,0,0,0,0|2,0,0]=4 18205 B15R0.252 C=CCCCCCCCNCCC(C)(C)C 2230a_100000738805_100012355270 [0,2,0,0,0,0|2,0,0]=4 18206 B15R0.252 C=CCCCCCCCNCCC(C)(C)F 2230a_100016253952_100012355270 [0,2,0,0,0,0|2,0,0]=4 18207 B15R0.252 C=CCCCCCCCOCCC(C)(C)C 34a_100000730831_100000755188 [0,2,0,0,0,0|2,0,0]=4 18208 B15R0.252 C=CCCCCCCCOCCC(C)(C)C 7a_100000730831_100000755188 [0,2,0,0,0,0|2,0,0]=4 18209 B15R0.252 C=CCCCCCCCOCCC(C)(C)C 7a_100000765024_100012355270 [0,2,0,0,0,0|2,0,0]=4 18210 B15R0.252 C=CCCCCCCCOCCC(C)(C)O 34a_100000730831_100000702414 [0,2,0,0,0,0|2,0,0]=4 18211 B15R0.252 C=CCCCCCCCOCCC(C)(C)O 7a_100000730831_100000702414 [0,2,0,0,0,0|2,0,0]=4 18212 B15R0.252 C=CCCCCCCCSCCC(C)(C)C 62a_100000755188_100012355270 [0,2,0,0,0,0|2,0,0]=4 18213 B15R0.252 C=CCCCCCCCSCCC(C)(C)C 62a_100012355270_100000755188 [0,2,0,0,0,0|2,0,0]=4 18214 B15R0.252 C=CCCCCCCCSCCC(C)(C)O 62a_100000702414_100012355270 [0,2,0,0,0,0|2,0,0]=4 18215 B15R0.252 C=CCCCCCCCSCCC(C)(C)O 62a_100012355270_100000702414 [0,2,0,0,0,0|2,0,0]=4 18216 B15R0.252 C=CCCCCCCOCCCC(C)(C)O 34a_200011216477_100009888830 [0,2,0,0,0,0|2,0,0]=4 18217 B15R0.252 C=CCCCCCCOCCCC(C)(C)O 7a_200011216477_100009888830 [0,2,0,0,0,0|2,0,0]=4 18218 B15R0.252 C=CCCCCCCSCCCC(C)(C)O 62a_100009888830_100011215473 [0,2,0,0,0,0|2,0,0]=4 18219 B15R0.252 C=CCCCCCCSCCCC(C)(C)O 62a_100011215473_100009888830 [0,2,0,0,0,0|2,0,0]=4 18220 B15R0.252 C=CCCCCNCCCCCC(C)(C)O 2230a_100000703577_100010402123 [0,2,0,0,0,0|2,0,0]=4 18221 B15R0.252 C=CCCCCNCCCCCC(C)(C)O 34a_100000703577_100010402123 [0,2,0,0,0,0|2,0,0]=4 18222 B15R0.252 C=CCCCCOCCCCCC(C)(C)O 34a_100000766645_100010402123 [0,2,0,0,0,0|2,0,0]=4 18223 B15R0.252 C=CCCCCOCCCCCC(C)(C)O 7a_100000766645_100010402123 [0,2,0,0,0,0|2,0,0]=4 18224 B15R0.252 C=CCCCCSCCCCCC(C)(C)O 62a_100010402123_100011215482 [0,2,0,0,0,0|2,0,0]=4 18225 B15R0.252 C=CCCCCSCCCCCC(C)(C)O 62a_100011215482_100010402123 [0,2,0,0,0,0|2,0,0]=4 18226 B15R0.252 CC(C)(C)OCCCNCCCCCC=O 2230a_100011250582_100000139337 [0,2,0,0,0,0|2,0,0]=4 18227 B15R0.252 CC(C)(O)CCCCCSCCCCC=O 62a_100000139335_100010402123 [0,2,0,0,0,0|1,0,0]=3 18228 B15R0.252 CC(C)(O)CCCCCSCCCCC=O 62a_100010402123_100000139335 [0,2,0,0,0,0|1,0,0]=3 18229 B15R0.252 CCCCCCCCCCCNS(=O)(=O)C 40a_200011215754_100000738038 [0,2,0,0,0,0|2,0,0]=4 18230 B15R0.252 CCCCCCCCCCNCS(=O)(=O)[O-] 34a_100000684558_100009817235 [0,2,0,0,0,0|2,0,0]=4 18231 B15R0.252 CCCCCCCCCCOCS(=O)(=O)[O-] 34a_100000210711_100009817235 [0,2,0,0,0,0|2,0,0]=4 18232 B15R0.252 CCCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210320 [0,2,0,0,0,0|2,0,0]=4 18233 B15R0.252 CCCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210320 [0,2,0,0,0,0|2,0,0]=4 18234 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 2230a_100000212291_100000731031 [0,2,0,0,0,0|2,0,0]=4 18235 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100011214924 [0,2,0,0,0,0|2,0,0]=4 18236 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 34a_100000212291_100000731031 [0,2,0,0,0,0|2,0,0]=4 18237 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100011214924 [0,2,0,0,0,0|2,0,0]=4 18238 B15R0.252 CCCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100011214924 [0,2,0,0,0,0|2,0,0]=4 18239 B15R0.252 CCCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100011214924 [0,2,0,0,0,0|2,0,0]=4 18240 B15R0.252 CCCCCCCCCNCCS(=O)(=O)[O-] 2230a_100000212291_100000737633 [0,2,0,0,0,0|2,0,0]=4 18241 B15R0.252 CCCCCCCCCNCCS(=O)(=O)[O-] 34a_100000212291_100000762736 [0,2,0,0,0,0|2,0,0]=4 18242 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 34a_100000210712_100000731031 [0,2,0,0,0,0|2,0,0]=4 18243 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100011214924 [0,2,0,0,0,0|2,0,0]=4 18244 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 7a_100000210712_100000230027 [0,2,0,0,0,0|2,0,0]=4 18245 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210328 [0,2,0,0,0,0|2,0,0]=4 18246 B15R0.252 CCCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100011214924 [0,2,0,0,0,0|2,0,0]=4 18247 B15R0.252 CCCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210712_100000762736 [0,2,0,0,0,0|2,0,0]=4 18248 B15R0.252 CCCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210670 [0,2,0,0,0,0|2,0,0]=4 18249 B15R0.252 CCCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210670 [0,2,0,0,0,0|2,0,0]=4 18250 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 2230a_100000229939_100000754308 [0,2,0,0,0,0|2,0,0]=4 18251 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210759 [0,2,0,0,0,0|2,0,0]=4 18252 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 34a_100000229939_100000754308 [0,2,0,0,0,0|2,0,0]=4 18253 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210759 [0,2,0,0,0,0|2,0,0]=4 18254 B15R0.252 CCCCCCCCNCCCS(=O)(=O)N 2230a_100000229939_100000750626 [0,2,0,0,0,0|2,0,0]=4 18255 B15R0.252 CCCCCCCCNCCCS(=O)(=O)N 34a_100000229939_100000750626 [0,2,0,0,0,0|2,0,0]=4 18256 B15R0.252 CCCCCCCCNCCCS(=O)(=O)[O-] 34a_100000229939_100009813499 [0,2,0,0,0,0|2,0,0]=4 18257 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 34a_100000210232_100000754308 [0,2,0,0,0,0|2,0,0]=4 18258 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210759 [0,2,0,0,0,0|2,0,0]=4 18259 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 7a_100000210232_100000754308 [0,2,0,0,0,0|2,0,0]=4 18260 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210759 [0,2,0,0,0,0|2,0,0]=4 18261 B15R0.252 CCCCCCCCOCCCS(=O)(=O)N 34a_100000210232_100000750626 [0,2,0,0,0,0|2,0,0]=4 18262 B15R0.252 CCCCCCCCOCCCS(=O)(=O)N 7a_100000210232_100000750626 [0,2,0,0,0,0|2,0,0]=4 18263 B15R0.252 CCCCCCCCOCCCS(=O)(=O)[O-] 34a_100000210232_100009813499 [0,2,0,0,0,0|2,0,0]=4 18264 B15R0.252 CCCCCCCCSCCCS(=O)(=O)C 62a_100000210759_100000754308 [0,2,0,0,0,0|2,0,0]=4 18265 B15R0.252 CCCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210317 [0,2,0,0,0,0|2,0,0]=4 18266 B15R0.252 CCCCCCCCSCCCS(=O)(=O)N 62a_100000210759_100000750626 [0,2,0,0,0,0|2,0,0]=4 18267 B15R0.252 CCCCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210317 [0,2,0,0,0,0|2,0,0]=4 18268 B15R0.252 CCCCCCCCSCCCS(=O)(=O)[O-] 62a_100000210759_100009813499 [0,2,0,0,0,0|2,0,0]=4 18269 B15R0.252 CCCCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210317 [0,2,0,0,0,0|2,0,0]=4 18270 B15R0.252 C[N+](C)(C)CCCCCCSCCCC=O 62a_100009996864_200011292268 [0,2,0,0,0,0|2,0,0]=4 18271 B15R0.252 C[N+](C)(C)CCCCCCSCCCC=O 62a_200011292268_100009996864 [0,2,0,0,0,0|2,0,0]=4 18272 B15R0.252 C[N+](C)(C)CCCCCSCCCCC=O 62a_100000139335_100009813293 [0,2,0,0,0,0|2,0,0]=4 18273 B15R0.252 C[N+](C)(C)CCCCCSCCCCC=O 62a_100009813293_100000139335 [0,2,0,0,0,0|2,0,0]=4 18274 B15R0.252 C[Si](C)(C)CCCCOCCCCCC=O 7a_200009881916_100000139337 [0,2,0,0,0,0|1,1,0]=4 18275 B15R0.252 O=CCCCCCOCCCCC(F)(F)F 7a_100000749236_100000139337 [0,2,0,0,0,0|2,0,0]=4 18276 B15R0.252 O=CCCCCCSCCCCC(F)(F)F 62a_100000139337_100000692467 [0,2,0,0,0,0|2,0,0]=4 18277 B15R0.252 O=CCCCCCSCCCCC(F)(F)F 62a_100000692467_100000139337 [0,2,0,0,0,0|2,0,0]=4 18278 B15R0.252 O=CCCCCSCCCCCC(F)(F)F 62a_100000139335_100010187589 [0,2,0,0,0,0|2,0,0]=4 18279 B15R0.252 O=CCCCCSCCCCCC(F)(F)F 62a_100010187589_100000139335 [0,2,0,0,0,0|2,0,0]=4 18280 B15R0.3219 C#CC(CCCC)OCCCCCCC=C 34a_200011217967_100011215473 [0,2,0,0,0,0|2,0,0]=4 18281 B15R0.3219 C#CC(CCCC)OCCCCCCC=C 7a_200011217967_100011215473 [0,2,0,0,0,0|2,0,0]=4 18282 B15R0.3219 C=CCCCCCCCN(CC)CCCC 2230a_100000207695_100012355270 [0,2,0,0,0,0|2,0,0]=4 18283 B15R0.3219 C=CCCCCCCCN(CC)CCCC 269982a_100000207695_100012355270 [0,2,0,0,0,0|2,0,0]=4 18284 B15R0.3219 C=CCCCCCCN[C@H](CO)CCCC 2230a_100011934283_100011215473 [0,2,0,0,0,0|2,0,0]=4 18285 B15R0.3219 C=CCCCCCCN[C@H](CO)CCCC 34a_100011934283_100011215473 [0,2,0,0,0,0|2,0,0]=4 18286 B15R0.3219 C=CCCCCCCOC(C=C)CCCC 34a_200011215037_100011215473 [0,2,0,0,0,0|2,0,0]=4 18287 B15R0.3219 C=CCCCCCCOC(C=C)CCCC 7a_200011215037_100011215473 [0,2,0,0,0,0|2,0,0]=4 18288 B15R0.3219 C=CCCCCCCOC(CC)CCCC 34a_100011215227_100011215473 [0,2,0,0,0,0|2,0,0]=4 18289 B15R0.3219 C=CCCCCCCOC(CC)CCCC 34a_200011216477_200011216223 [0,2,0,0,0,0|2,0,0]=4 18290 B15R0.3219 C=CCCCCCCOC(CC)CCCC 7a_100011215227_100011215473 [0,2,0,0,0,0|2,0,0]=4 18291 B15R0.3219 C=CCCCCCCOC(CC)CCCC 7a_200011216477_200011216223 [0,2,0,0,0,0|2,0,0]=4 18292 B15R0.3219 C=CCCCCCCSC(CC)CCCC 62a_100011215473_200011216223 [0,2,0,0,0,0|2,0,0]=4 18293 B15R0.3219 C=CCCCCCCSC(CC)CCCC 62a_200011216223_100011215473 [0,2,0,0,0,0|2,0,0]=4 18294 B15R0.3219 C=CCCCCCNCC(CC)CCCC 2230a_100000209976_100000700193 [0,2,0,0,0,0|2,0,0]=4 18295 B15R0.3219 C=CCCCCCOCC(CC)CCCC 34a_100000210273_100000700193 [0,2,0,0,0,0|2,0,0]=4 18296 B15R0.3219 C=CCCCCCOCC(CC)CCCC 34a_100011216702_100000211942 [0,2,0,0,0,0|2,0,0]=4 18297 B15R0.3219 C=CCCCCCOCC(CC)CCCC 7a_100000210273_100000700193 [0,2,0,0,0,0|2,0,0]=4 18298 B15R0.3219 C=CCCCCCOCC(CC)CCCC 7a_100011216702_100000211942 [0,2,0,0,0,0|2,0,0]=4 18299 B15R0.3219 C=CCCCCCSCC(CC)CCCC 62a_100000211942_100000700193 [0,2,0,0,0,0|2,0,0]=4 18300 B15R0.3219 C=CCCCCCSCC(CC)CCCC 62a_100000700193_100000211942 [0,2,0,0,0,0|2,0,0]=4 18301 B15R0.3219 C=CCCNCCCCC(CC)CCCC 2230a_100015191253_200012094884 [0,2,0,0,0,0|2,0,0]=4 18302 B15R0.3219 C=CCCOCCCCC(CC)CCCC 34a_100011205117_200012094884 [0,2,0,0,0,0|2,0,0]=4 18303 B15R0.3219 C=CCCSCCCCC(CC)CCCC 62a_100000754431_200012094884 [0,2,0,0,0,0|2,0,0]=4 18304 B15R0.3219 C=CCCSCCCCC(CC)CCCC 62a_200012094884_100000754431 [0,2,0,0,0,0|2,0,0]=4 18305 B15R0.3219 CCCCC(CC)CNCCCCCC=O 2230a_100000209976_100000139337 [0,2,0,0,0,0|1,0,0]=3 18306 B15R0.3219 CCCCC(CC)COCCCCCC=O 7a_100000210273_100000139337 [0,2,0,0,0,0|1,0,0]=3 18307 B15R0.3219 CCCCC(CC)COCCCNCC=O 2230a_200011218343_200015260668 [0,2,0,0,0,0|2,0,0]=4 18308 B15R0.3219 CCCCC(CC)CSCCCCCC=O 62a_100000139337_100000211942 [0,2,0,0,0,0|1,0,0]=3 18309 B15R0.3219 CCCCC(CC)CSCCCCCC=O 62a_100000211942_100000139337 [0,2,0,0,0,0|1,0,0]=3 18310 B15R0.3219 CCCCN(CC)CCNCCCCC=O 2230a_200011208488_100000139335 [0,2,0,0,0,0|2,0,0]=4 18311 B15R0.5019 C=CCCCCCCOC(C)(C)CCCC 7a_100011219641_100011215473 [0,2,0,0,0,0|2,0,0]=4 18312 B15R0.5019 C=CCCCCCOCC(C)(C)CCCC 7a_200011995781_100000700193 [0,2,0,0,0,0|2,0,0]=4 18313 B15R0.5019 CCCCC(C)(C)COCCCCCC=O 7a_200011995781_100000139337 [0,2,0,0,0,0|1,0,0]=3 18314 B15R0.5019 CCCC[Si](C)(C)CSCCCCCC=O 62a_100000139337_200000073895 [0,2,0,0,0,0|1,1,0]=4 18315 B15R0.5019 CCCC[Si](C)(C)CSCCCCCC=O 62a_200000073895_100000139337 [0,2,0,0,0,0|1,1,0]=4 18316 B13R1.28 BrCCCCCOC1CCCCC1 34a_100000746331_100000210327 [1,0,0,1,0,0|2,0,0]=4 18317 B13R1.28 BrCCCCCOC1CCCCC1 7a_100000746331_100000210327 [1,0,0,1,0,0|2,0,0]=4 18318 B13R1.28 BrCCCCOCC1CCCCC1 34a_100011216708_100000211423 [1,0,0,1,0,0|2,0,0]=4 18319 B13R1.28 BrCCCOCCC1CCCCC1 34a_100011217188_100011209188 [1,0,0,1,0,0|2,0,0]=4 18320 B13R1.28 BrCCOCCCC1CCCCC1 34a_100000211926_100011713725 [1,0,0,1,0,0|2,0,0]=4 18321 B13R1.28 C=CCCCCNC1CCCCC1 2230a_100000182618_100011215482 [1,0,0,1,0,0|1,0,1]=4 18322 B13R1.28 C=CCCCCNC1CCCCC1 270004a_100000703577_100000210434 [1,0,0,1,0,0|1,0,1]=4 18323 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000182618_100011215482 [1,0,0,1,0,0|1,0,1]=4 18324 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000703577_100000210327 [1,0,0,1,0,0|1,0,1]=4 18325 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000210231_100011215482 [1,0,0,1,0,0|1,0,1]=4 18326 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000766645_100000210327 [1,0,0,1,0,0|1,0,1]=4 18327 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000210231_100011215482 [1,0,0,1,0,0|1,0,1]=4 18328 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000766645_100000210327 [1,0,0,1,0,0|1,0,1]=4 18329 B13R1.28 C=CCCCCSC1CCCCC1 62a_100000210327_100011215482 [1,0,0,1,0,0|1,0,1]=4 18330 B13R1.28 C=CCCCCSC1CCCCC1 62a_100011215482_100000210327 [1,0,0,1,0,0|1,0,1]=4 18331 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000210473_100011713584 [1,0,0,1,0,0|1,0,1]=4 18332 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000700776_100000211423 [1,0,0,1,0,0|1,0,1]=4 18333 B13R1.28 C=CCCCNCC1CCCCC1 269862a_100000700776_100000211278 [1,0,0,1,0,0|1,0,1]=4 18334 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000210473_100000757094 [1,0,0,1,0,0|1,0,1]=4 18335 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000700776_100000211423 [1,0,0,1,0,0|1,0,1]=4 18336 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000212181_100000757094 [1,0,0,1,0,0|1,0,1]=4 18337 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000758997_100000211423 [1,0,0,1,0,0|1,0,1]=4 18338 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000212181_100000757094 [1,0,0,1,0,0|1,0,1]=4 18339 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000758997_100000211423 [1,0,0,1,0,0|1,0,1]=4 18340 B13R1.28 C=CCCCSCC1CCCCC1 62a_100000211423_100000757094 [1,0,0,1,0,0|1,0,1]=4 18341 B13R1.28 C=CCCCSCC1CCCCC1 62a_100011713584_100000211423 [1,0,0,1,0,0|1,0,1]=4 18342 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100000738074_100000754431 [1,0,0,1,0,0|1,0,1]=4 18343 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100015191253_100012355289 [1,0,0,1,0,0|1,0,1]=4 18344 B13R1.28 C=CCCNCCC1CCCCC1 270004a_100015191253_100011713444 [1,0,0,1,0,0|1,0,1]=4 18345 B13R1.28 C=CCCNCCC1CCCCC1 34a_100000738074_100000754431 [1,0,0,1,0,0|1,0,1]=4 18346 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011205117_100011209188 [1,0,0,1,0,0|1,0,1]=4 18347 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011217863_100000754431 [1,0,0,1,0,0|1,0,1]=4 18348 B13R1.28 C=CCCOCCC1CCCCC1 7a_100011217863_100000754431 [1,0,0,1,0,0|1,0,1]=4 18349 B13R1.28 C=CCCSCCC1CCCCC1 62a_100000754431_100012355289 [1,0,0,1,0,0|1,0,1]=4 18350 B13R1.28 C=CCCSCCC1CCCCC1 62a_100012355289_100000754431 [1,0,0,1,0,0|1,0,1]=4 18351 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100011211642_100000210623 [1,0,0,1,0,0|1,0,1]=4 18352 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100020586998_100011713725 [1,0,0,1,0,0|1,0,1]=4 18353 B13R1.28 C=CCNCCCC1CCCCC1 34a_100011211642_100015514636 [1,0,0,1,0,0|1,0,1]=4 18354 B13R1.28 C=CCOCCCC1CCCCC1 34a_100000198086_100015514636 [1,0,0,1,0,0|1,0,1]=4 18355 B13R1.28 C=CCOCCCC1CCCCC1 34a_200000210373_100011713725 [1,0,0,1,0,0|1,0,1]=4 18356 B13R1.28 C=CCOCCCC1CCCCC1 7a_100000198086_100015514636 [1,0,0,1,0,0|1,0,1]=4 18357 B13R1.28 C=CCSCCCC1CCCCC1 62a_100000210623_100011713725 [1,0,0,1,0,0|1,0,1]=4 18358 B13R1.28 C=CCSCCCC1CCCCC1 62a_100011713725_100000210623 [1,0,0,1,0,0|1,0,1]=4 18359 B13R1.28 CCCCCCNC1C=CCCC1 2230a_100000210581_100000751183 [1,0,0,1,0,0|1,0,1]=4 18360 B13R1.28 CCCCCCNC1CCCCC1 2230a_100000182618_100000210314 [1,0,0,1,0,0|1,0,1]=4 18361 B13R1.28 CCCCCCNC1CCCCC1 270004a_100000210581_100000210434 [1,0,0,1,0,0|1,0,1]=4 18362 B13R1.28 CCCCCCNC1CCCCC1 34a_100000182618_100000210314 [1,0,0,1,0,0|1,0,1]=4 18363 B13R1.28 CCCCCCOC1C=CCCC1 34a_100011215024_100000210314 [1,0,0,1,0,0|1,0,1]=4 18364 B13R1.28 CCCCCCOC1C=CCCC1 7a_100000210259_100000751183 [1,0,0,1,0,0|1,0,1]=4 18365 B13R1.28 CCCCCCOC1CCCCC1 34a_100000210231_100000210314 [1,0,0,1,0,0|1,0,1]=4 18366 B13R1.28 CCCCCCOC1CCCCC1 34a_100000210259_100000210327 [1,0,0,1,0,0|1,0,1]=4 18367 B13R1.28 CCCCCCOC1CCCCC1 7a_100000210231_100000210314 [1,0,0,1,0,0|1,0,1]=4 18368 B13R1.28 CCCCCCOC1CCCCC1 7a_100000210259_100000210327 [1,0,0,1,0,0|1,0,1]=4 18369 B13R1.28 CCCCCCOC1CCCCO1 34a_100000033831_100000210314 [1,0,0,1,0,0|1,0,1]=4 18370 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000210314_100000751183 [1,0,0,1,0,0|1,0,1]=4 18371 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000751183_100000210757 [1,0,0,1,0,0|1,0,1]=4 18372 B13R1.28 CCCCCCSC1CCCCC1 62a_100000210314_100000210327 [1,0,0,1,0,0|1,0,1]=4 18373 B13R1.28 CCCCCCSC1CCCCC1 62a_100000210327_100000210757 [1,0,0,1,0,0|1,0,1]=4 18374 B13R1.28 CCCCCNCC1CCCCC1 2230a_100000209983_100000211423 [1,0,0,1,0,0|1,0,1]=4 18375 B13R1.28 CCCCCNCC1CCCCC1 2230a_100000210473_100000210326 [1,0,0,1,0,0|1,0,1]=4 18376 B13R1.28 CCCCCNCC1CCCCC1 269862a_100000209983_100000211278 [1,0,0,1,0,0|1,0,1]=4 18377 B13R1.28 CCCCCNCC1CCCCC1 34a_100000210473_100000718602 [1,0,0,1,0,0|1,0,1]=4 18378 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000174945_100000210326 [1,0,0,1,0,0|1,0,1]=4 18379 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000209983_100000211543 [1,0,0,1,0,0|1,0,1]=4 18380 B13R1.28 CCCCCNCC1CCCCO1 34a_100000174945_100000718602 [1,0,0,1,0,0|1,0,1]=4 18381 B13R1.28 CCCCCOCC1CCCCC1 34a_100000210253_100000211423 [1,0,0,1,0,0|1,0,1]=4 18382 B13R1.28 CCCCCOCC1CCCCC1 34a_100000212181_100000718602 [1,0,0,1,0,0|1,0,1]=4 18383 B13R1.28 CCCCCOCC1CCCCC1 7a_100000210253_100000211423 [1,0,0,1,0,0|1,0,1]=4 18384 B13R1.28 CCCCCOCC1CCCCC1 7a_100000212181_100000210326 [1,0,0,1,0,0|1,0,1]=4 18385 B13R1.28 CCCCCOCC1CCCCN1 34a_100000210821_100000718602 [1,0,0,1,0,0|2,0,0]=4 18386 B13R1.28 CCCCCOCC1CCCCO1 34a_100000210253_100000211543 [1,0,0,1,0,0|1,0,1]=4 18387 B13R1.28 CCCCCOCC1CCCCO1 34a_100000211370_100000718602 [1,0,0,1,0,0|1,0,1]=4 18388 B13R1.28 CCCCCOCC1CCCCO1 7a_100000210253_100000211543 [1,0,0,1,0,0|1,0,1]=4 18389 B13R1.28 CCCCCOCC1CCCCO1 7a_100000211370_100000210326 [1,0,0,1,0,0|1,0,1]=4 18390 B13R1.28 CCCCCSCC1CCCCC1 62a_100000210326_100000211423 [1,0,0,1,0,0|1,0,1]=4 18391 B13R1.28 CCCCCSCC1CCCCC1 62a_100000211423_100000210326 [1,0,0,1,0,0|1,0,1]=4 18392 B13R1.28 CCCCCSCC1CCCCO1 62a_100000210326_100000211543 [1,0,0,1,0,0|1,0,1]=4 18393 B13R1.28 CCCCCSCC1CCCCO1 62a_100000211543_100000210326 [1,0,0,1,0,0|1,0,1]=4 18394 B13R1.28 CCCCNCCC1=CCCCC1 2230a_100000212019_100000210211 [1,0,0,1,0,0|1,0,1]=4 18395 B13R1.28 CCCCNCCC1=CCCCC1 34a_100000212019_100000210210 [1,0,0,1,0,0|1,0,1]=4 18396 B13R1.28 CCCCNCCC1CCCCC1 2230a_100000102301_100012355289 [1,0,0,1,0,0|1,0,1]=4 18397 B13R1.28 CCCCNCCC1CCCCC1 2230a_100000738074_100000210211 [1,0,0,1,0,0|1,0,1]=4 18398 B13R1.28 CCCCNCCC1CCCCC1 270004a_100000102301_100011713444 [1,0,0,1,0,0|1,0,1]=4 18399 B13R1.28 CCCCNCCC1CCCCC1 34a_100000738074_100000210210 [1,0,0,1,0,0|1,0,1]=4 18400 B13R1.28 CCCCNCCC1CCCCC1 7a_106832991798_100011273959 [1,0,0,1,0,0|1,0,1]=4 18401 B13R1.28 CCCCNCCC1CCCCO1 2230a_100015183643_100000210211 [1,0,0,1,0,0|1,0,1]=4 18402 B13R1.28 CCCCNCCC1CCCCO1 34a_100015183643_100000210210 [1,0,0,1,0,0|1,0,1]=4 18403 B13R1.28 CCCCOCCC1CCCCC1 34a_100000210227_100011209188 [1,0,0,1,0,0|1,0,1]=4 18404 B13R1.28 CCCCOCCC1CCCCC1 34a_100011217863_100000210210 [1,0,0,1,0,0|1,0,1]=4 18405 B13R1.28 CCCCOCCC1CCCCC1 7a_100000210227_100011273959 [1,0,0,1,0,0|1,0,1]=4 18406 B13R1.28 CCCCOCCC1CCCCC1 7a_100011217863_100000210211 [1,0,0,1,0,0|1,0,1]=4 18407 B13R1.28 CCCCOCCC1CCCCN1 34a_100000211664_100000210210 [1,0,0,1,0,0|2,0,0]=4 18408 B13R1.28 CCCCSCCC1CCCCC1 62a_100000210211_100012355289 [1,0,0,1,0,0|1,0,1]=4 18409 B13R1.28 CCCCSCCC1CCCCC1 62a_100012355289_100000210210 [1,0,0,1,0,0|1,0,1]=4 18410 B13R1.28 CCCNCCCC1CCCCC1 2230a_100011211642_100000210303 [1,0,0,1,0,0|1,0,1]=4 18411 B13R1.28 CCCNCCCC1CCCCC1 34a_100011211642_100000210303 [1,0,0,1,0,0|1,0,1]=4 18412 B13R1.28 CCCOCCCC1CCCCC1 34a_100000198086_100000210303 [1,0,0,1,0,0|1,0,1]=4 18413 B13R1.28 CCCOCCCC1CCCCC1 34a_100000210258_100011713725 [1,0,0,1,0,0|1,0,1]=4 18414 B13R1.28 CCCOCCCC1CCCCC1 7a_100000198086_100000210303 [1,0,0,1,0,0|1,0,1]=4 18415 B13R1.28 CCCOCCCC1CCCCN1 34a_100011934581_100000210303 [1,0,0,1,0,0|2,0,0]=4 18416 B13R1.28 CCCSCCCC1CCCCC1 62a_100000210303_100011713725 [1,0,0,1,0,0|1,0,1]=4 18417 B13R1.28 CCCSCCCC1CCCCC1 62a_100011713725_100000210303 [1,0,0,1,0,0|1,0,1]=4 18418 B13R1.28 CCOCCCCC1CCCCC1 34a_100011215267_100000210202 [1,0,0,1,0,0|1,0,1]=4 18419 B13R1.28 CCOCCCCC1CCCCC1 7a_100011215267_100000210202 [1,0,0,1,0,0|1,0,1]=4 18420 B13R1.28 ClCCCCCOC1CCCCC1 34a_100000746330_100000210327 [1,0,0,1,0,0|2,0,0]=4 18421 B13R1.28 ClCCCCCOC1CCCCC1 7a_100000746330_100000210327 [1,0,0,1,0,0|2,0,0]=4 18422 B13R1.28 ClCCCCOCC1CCCCC1 34a_100000210776_100000211423 [1,0,0,1,0,0|2,0,0]=4 18423 B13R1.28 ClCCCCOCC1CCCCC1 7a_100000210776_100000211423 [1,0,0,1,0,0|2,0,0]=4 18424 B13R1.28 ClCCCOCCC1CCCCC1 34a_100000230001_100011209188 [1,0,0,1,0,0|2,0,0]=4 18425 B13R1.28 FCCCCCNC1CCCCC1 2230a_100000182618_100000729378 [1,0,0,1,0,0|2,0,0]=4 18426 B13R1.28 FCCCCCNC1CCCCC1 34a_100000182618_100000729378 [1,0,0,1,0,0|2,0,0]=4 18427 B13R1.28 FCCCCCOC1CCCCC1 34a_100000210231_100000729378 [1,0,0,1,0,0|2,0,0]=4 18428 B13R1.28 FCCCCCOC1CCCCC1 7a_100000210231_100000729378 [1,0,0,1,0,0|2,0,0]=4 18429 B13R1.28 FCCCCCSC1CCCCC1 62a_100000210327_100000729378 [1,0,0,1,0,0|2,0,0]=4 18430 B13R1.28 FCCCCCSC1CCCCC1 62a_100000729378_100000210327 [1,0,0,1,0,0|2,0,0]=4 18431 B13R1.28 FCCCCNCC1CCCCC1 2230a_100000210473_100000729493 [1,0,0,1,0,0|2,0,0]=4 18432 B13R1.28 FCCCCNCC1CCCCC1 34a_100000210473_100000729493 [1,0,0,1,0,0|2,0,0]=4 18433 B13R1.28 FCCCCOCC1CCCCC1 34a_100000212181_100000729493 [1,0,0,1,0,0|2,0,0]=4 18434 B13R1.28 FCCCCOCC1CCCCC1 34a_100011995726_100000211423 [1,0,0,1,0,0|2,0,0]=4 18435 B13R1.28 FCCCCOCC1CCCCC1 7a_100000212181_100000729493 [1,0,0,1,0,0|2,0,0]=4 18436 B13R1.28 FCCCCOCC1CCCCC1 7a_100011995726_100000211423 [1,0,0,1,0,0|2,0,0]=4 18437 B13R1.28 FCCCCSCC1CCCCC1 62a_100000211423_100000729493 [1,0,0,1,0,0|2,0,0]=4 18438 B13R1.28 FCCCCSCC1CCCCC1 62a_100000729493_100000211423 [1,0,0,1,0,0|2,0,0]=4 18439 B13R1.28 FCCCNCCC1CCCCC1 2230a_100000738074_100011934791 [1,0,0,1,0,0|2,0,0]=4 18440 B13R1.28 FCCCNCCC1CCCCC1 2230a_100015189416_100012355289 [1,0,0,1,0,0|2,0,0]=4 18441 B13R1.28 FCCCNCCC1CCCCC1 270004a_100015189416_100011713444 [1,0,0,1,0,0|2,0,0]=4 18442 B13R1.28 FCCCNCCC1CCCCC1 34a_100000738074_100011934791 [1,0,0,1,0,0|2,0,0]=4 18443 B13R1.28 FCCCNCCC1CCCCC1 34a_100015189416_100011209188 [1,0,0,1,0,0|2,0,0]=4 18444 B13R1.28 FCCCOCCC1CCCCC1 34a_100000759539_100011209188 [1,0,0,1,0,0|2,0,0]=4 18445 B13R1.28 FCCCOCCC1CCCCC1 34a_100011217863_100011934791 [1,0,0,1,0,0|2,0,0]=4 18446 B13R1.28 FCCCOCCC1CCCCC1 7a_100011217863_100011934791 [1,0,0,1,0,0|2,0,0]=4 18447 B13R1.28 FCCCSCCC1CCCCC1 62a_100011934791_100012355289 [1,0,0,1,0,0|2,0,0]=4 18448 B13R1.28 FCCCSCCC1CCCCC1 62a_100012355289_100011934791 [1,0,0,1,0,0|2,0,0]=4 18449 B13R1.28 FCCNCCCC1CCCCC1 2230a_100011211642_100011217306 [1,0,0,1,0,0|2,0,0]=4 18450 B13R1.28 FCCNCCCC1CCCCC1 34a_100000724931_100011713725 [1,0,0,1,0,0|2,0,0]=4 18451 B13R1.28 FCCNCCCC1CCCCC1 34a_100011211642_100011217306 [1,0,0,1,0,0|2,0,0]=4 18452 B13R1.28 FCCOCCCC1CCCCC1 34a_100000198086_100011217306 [1,0,0,1,0,0|2,0,0]=4 18453 B13R1.28 FCCOCCCC1CCCCC1 7a_100000198086_100011217306 [1,0,0,1,0,0|2,0,0]=4 18454 B13R1.28 FCCSCCCC1CCCCC1 62a_100011217306_100011713725 [1,0,0,1,0,0|2,0,0]=4 18455 B13R1.28 FCCSCCCC1CCCCC1 62a_100011713725_100011217306 [1,0,0,1,0,0|2,0,0]=4 18456 B13R1.28 FCOCCCCC1CCCCC1 34a_100011215267_100015361967 [1,0,0,1,0,0|2,0,0]=4 18457 B13R1.28 FCOCCCCC1CCCCC1 7a_100011215267_100015361967 [1,0,0,1,0,0|2,0,0]=4 18458 B13R1.28 ICCCCCOC1CCCCC1 34a_200012148887_100000210327 [1,0,0,1,0,0|2,0,0]=4 18459 B13R1.28 ICCCCCOC1CCCCC1 7a_200012148887_100000210327 [1,0,0,1,0,0|2,0,0]=4 18460 B13R1.28 ICCCCOCC1CCCCC1 34a_200012148704_100000211423 [1,0,0,1,0,0|2,0,0]=4 18461 B13R1.28 NCCCCCOC1CCCCC1 34a_100000762737_100000210327 [1,0,0,1,0,0|2,0,0]=4 18462 B13R1.28 NCCCCOCC1CCCCC1 34a_100000750430_100000211423 [1,0,0,1,0,0|2,0,0]=4 18463 B13R1.28 NCCCOCCC1CCCCC1 34a_100000182051_100011209188 [1,0,0,1,0,0|2,0,0]=4 18464 B13R1.28 NCCOCCCC1CCCCC1 34a_100000210304_100011713725 [1,0,0,1,0,0|2,0,0]=4 18465 B13R1.28 O=CCCCCCN1CCCOC1 2230a_100000131196_100000139337 [1,0,0,1,0,0|2,0,0]=4 18466 B13R1.28 O=CCCCCCN1CCCOC1 269982a_100000131196_100000139337 [1,0,0,1,0,0|2,0,0]=4 18467 B13R1.28 O=CCCCCCN1CCOCC1 2230a_100015191051_100000139337 [1,0,0,1,0,0|2,0,0]=4 18468 B13R1.28 O=CCCCCCN1CCOCC1 269982a_100015191051_100000139337 [1,0,0,1,0,0|2,0,0]=4 18469 B13R1.28 O=CCCCCCN1CCSCC1 2230a_100000737611_100000139337 [1,0,0,1,0,0|2,0,0]=4 18470 B13R1.28 O=CCCCCCN1CCSCC1 269982a_100000737611_100000139337 [1,0,0,1,0,0|2,0,0]=4 18471 B13R1.28 O=CCCCCNC1CCCCC1 2230a_100000182618_100000139335 [1,0,0,1,0,0|1,0,0]=3 18472 B13R1.28 O=CCCCCNC1CCCOC1 2230a_100000719290_100000139335 [1,0,0,1,0,0|2,0,0]=4 18473 B13R1.28 O=CCCCCNC1CCOCC1 2230a_100000741149_100000139335 [1,0,0,1,0,0|2,0,0]=4 18474 B13R1.28 O=CCCCCNC1CCSCC1 2230a_100000748639_100000139335 [1,0,0,1,0,0|2,0,0]=4 18475 B13R1.28 O=CCCCCOC1CCCCC1 7a_100000210231_100000139335 [1,0,0,1,0,0|1,0,0]=3 18476 B13R1.28 O=CCCCCOC1CCCSC1 7a_100015962668_100000139335 [1,0,0,1,0,0|2,0,0]=4 18477 B13R1.28 O=CCCCCOC1CCSCC1 7a_100000731022_100000139335 [1,0,0,1,0,0|2,0,0]=4 18478 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000139335_100000210327 [1,0,0,1,0,0|1,0,0]=3 18479 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000210327_100000139335 [1,0,0,1,0,0|1,0,0]=3 18480 B13R1.28 O=CCCCCSC1CCCOC1 62a_100000139335_100000693364 [1,0,0,1,0,0|2,0,0]=4 18481 B13R1.28 O=CCCCCSC1CCOCC1 62a_100000139335_100011324220 [1,0,0,1,0,0|2,0,0]=4 18482 B13R1.28 O=CCCCCSC1CCSCC1 62a_100000139335_100000069128 [1,0,0,1,0,0|2,0,0]=4 18483 B13R1.28 O=CCCCNCC1CCCCC1 2230a_100000210473_200011292268 [1,0,0,1,0,0|1,0,0]=3 18484 B13R1.28 O=CCCCNCC1CCCCO1 2230a_100000174945_200011292268 [1,0,0,1,0,0|2,0,0]=4 18485 B13R1.28 O=CCCCNCC1CCCOC1 2230a_100000720124_200011292268 [1,0,0,1,0,0|2,0,0]=4 18486 B13R1.28 O=CCCCNCC1CCOCC1 2230a_100000746373_200011292268 [1,0,0,1,0,0|2,0,0]=4 18487 B13R1.28 O=CCCCNCC1CCSCC1 2230a_100015188806_200011292268 [1,0,0,1,0,0|2,0,0]=4 18488 B13R1.28 O=CCCCOCC1CCCCC1 7a_100000212181_200011292268 [1,0,0,1,0,0|1,0,0]=3 18489 B13R1.28 O=CCCCOCC1CCCCO1 7a_100000211370_200011292268 [1,0,0,1,0,0|2,0,0]=4 18490 B13R1.28 O=CCCCOCC1CCSCC1 7a_100000070558_200011292268 [1,0,0,1,0,0|2,0,0]=4 18491 B13R1.28 O=CCCCSCC1CCCCC1 62a_100000211423_200011292268 [1,0,0,1,0,0|1,0,0]=3 18492 B13R1.28 O=CCCCSCC1CCCCC1 62a_200011292268_100000211423 [1,0,0,1,0,0|1,0,0]=3 18493 B13R1.28 O=CCCCSCC1CCCCO1 62a_100000211543_200011292268 [1,0,0,1,0,0|2,0,0]=4 18494 B13R1.28 O=CCCCSCC1CCCCO1 62a_200011292268_100000211543 [1,0,0,1,0,0|2,0,0]=4 18495 B13R1.28 O=CCCCSCC1CCCOC1 62a_100000741521_200011292268 [1,0,0,1,0,0|2,0,0]=4 18496 B13R1.28 O=CCCCSCC1CCCOC1 62a_200011292268_100000741521 [1,0,0,1,0,0|2,0,0]=4 18497 B13R1.28 O=CCCCSCC1CCOCC1 62a_100000754603_200011292268 [1,0,0,1,0,0|2,0,0]=4 18498 B13R1.28 O=CCCCSCC1CCOCC1 62a_200011292268_100000749018 [1,0,0,1,0,0|2,0,0]=4 18499 B13R1.28 O=CCNCCCC1CCCCC1 2230a_100011211642_200015260668 [1,0,0,1,0,0|1,0,0]=3 18500 B13R1.28 O=CCNCCCC1CCCCC1 34a_100011211642_200009817547 [1,0,0,1,0,0|1,0,0]=3 18501 B13R1.28 O=CCNCCOC1CCCCC1 34a_100015206981_200009817547 [1,0,0,1,0,0|2,0,0]=4 18502 B13R1.28 O=CCOCCCC1CCCCC1 34a_100000198086_200009817547 [1,0,0,1,0,0|1,0,0]=3 18503 B13R1.28 O=CCOCCCC1CCCCC1 7a_100000198086_200015260668 [1,0,0,1,0,0|1,0,0]=3 18504 B13R1.28 O=CCOCCCC1CCCCN1 34a_100011934581_200009817547 [1,0,0,1,0,0|2,0,0]=4 18505 B13R1.28 O=CCOCCCC1CCCNC1 34a_100150707839_200009817547 [1,0,0,1,0,0|2,0,0]=4 18506 B13R1.28 O=CCOCCCC1CCNCC1 34a_100016988962_200009817547 [1,0,0,1,0,0|2,0,0]=4 18507 B13R1.28 O=CCOCCCN1CCCCC1 34a_100000212458_200009817547 [1,0,0,1,0,0|2,0,0]=4 18508 B13R1.28 O=CCOCCNC1CCCCC1 34a_100000200466_200009817547 [1,0,0,1,0,0|2,0,0]=4 18509 B13R1.28 O=CCOCCOC1CCCCC1 34a_100011249652_200009817547 [1,0,0,1,0,0|2,0,0]=4 18510 B13R1.28 O=CCOCCOC1CCCCC1 7a_100011249652_200015260668 [1,0,0,1,0,0|2,0,0]=4 18511 B13R1.28 O=CCSCCCC1CCCCC1 62a_100011713725_200015260668 [1,0,0,1,0,0|1,0,0]=3 18512 B13R1.28 O=CCSCCCC1CCCCC1 62a_200015260668_100011713725 [1,0,0,1,0,0|1,0,0]=3 18513 B13R1.28 O=CCSCCCN1CCCCC1 62a_100132302099_200015260668 [1,0,0,1,0,0|2,0,0]=4 18514 B13R1.28 O=CCSCCCN1CCCCC1 62a_200015260668_100000007876 [1,0,0,1,0,0|2,0,0]=4 18515 B13R1.28 O=CCSCCOC1CCCCC1 62a_100011211530_200015260668 [1,0,0,1,0,0|2,0,0]=4 18516 B13R1.28 O=CCSCCOC1CCCCC1 62a_200015260668_100011211530 [1,0,0,1,0,0|2,0,0]=4 18517 B13R1.28 OCCCCCNC1CCCCC1 2230a_100000182618_100000746330 [1,0,0,1,0,0|1,0,1]=4 18518 B13R1.28 OCCCCCNC1CCCCC1 270004a_100000762737_100000210434 [1,0,0,1,0,0|1,0,1]=4 18519 B13R1.28 OCCCCCNC1CCCCC1 34a_100000182618_100000746330 [1,0,0,1,0,0|1,0,1]=4 18520 B13R1.28 OCCCCCNC1CCCCC1 34a_100000762737_100000210327 [1,0,0,1,0,0|1,0,1]=4 18521 B13R1.28 OCCCCCOC1CCCCC1 34a_100000210231_100000746330 [1,0,0,1,0,0|1,0,1]=4 18522 B13R1.28 OCCCCCOC1CCCCC1 7a_100000210231_100000746330 [1,0,0,1,0,0|1,0,1]=4 18523 B13R1.28 OCCCCCSC1CCCCC1 62a_100000210327_100000746330 [1,0,0,1,0,0|1,0,1]=4 18524 B13R1.28 OCCCCCSC1CCCCC1 62a_100000746330_100000210327 [1,0,0,1,0,0|1,0,1]=4 18525 B13R1.28 OCCCCNCC1CCCCC1 2230a_100000210473_100000210776 [1,0,0,1,0,0|1,0,1]=4 18526 B13R1.28 OCCCCNCC1CCCCC1 2230a_100000750430_100000211423 [1,0,0,1,0,0|1,0,1]=4 18527 B13R1.28 OCCCCNCC1CCCCC1 269862a_100000750430_100000211278 [1,0,0,1,0,0|1,0,1]=4 18528 B13R1.28 OCCCCNCC1CCCCC1 34a_100000210473_100011216708 [1,0,0,1,0,0|1,0,1]=4 18529 B13R1.28 OCCCCNCC1CCCCC1 34a_100000750430_100000211423 [1,0,0,1,0,0|1,0,1]=4 18530 B13R1.28 OCCCCOCC1CCCCC1 34a_100000212181_100011216708 [1,0,0,1,0,0|1,0,1]=4 18531 B13R1.28 OCCCCOCC1CCCCC1 7a_100000212181_100000210776 [1,0,0,1,0,0|1,0,1]=4 18532 B13R1.28 OCCCCSCC1CCCCC1 62a_100000210776_100000211423 [1,0,0,1,0,0|1,0,1]=4 18533 B13R1.28 OCCCCSCC1CCCCC1 62a_100000211423_100000210776 [1,0,0,1,0,0|1,0,1]=4 18534 B13R1.28 OCCCNCCC1CCCCC1 2230a_100000738074_100000230001 [1,0,0,1,0,0|1,0,1]=4 18535 B13R1.28 OCCCNCCC1CCCCC1 270004a_100000182051_100011713444 [1,0,0,1,0,0|1,0,1]=4 18536 B13R1.28 OCCCNCCC1CCCCC1 34a_100000738074_100000230001 [1,0,0,1,0,0|1,0,1]=4 18537 B13R1.28 OCCCOCCC1CCCCC1 34a_100011217863_100000230001 [1,0,0,1,0,0|1,0,1]=4 18538 B13R1.28 OCCCOCCC1CCCCC1 7a_100011217863_100011215043 [1,0,0,1,0,0|1,0,1]=4 18539 B13R1.28 OCCCSCCC1CCCCC1 62a_100011215043_100012355289 [1,0,0,1,0,0|1,0,1]=4 18540 B13R1.28 OCCCSCCC1CCCCC1 62a_100012355289_100011215043 [1,0,0,1,0,0|1,0,1]=4 18541 B13R1.28 OCCNCCCC1CCCCC1 2230a_100011211642_100000211926 [1,0,0,1,0,0|1,0,1]=4 18542 B13R1.28 OCCNCCCC1CCCCC1 2230a_100016997473_100011713725 [1,0,0,1,0,0|1,0,1]=4 18543 B13R1.28 OCCNCCCC1CCCCC1 34a_100011211642_100000211926 [1,0,0,1,0,0|1,0,1]=4 18544 B13R1.28 OCCNCCCC1CCCCC1 34a_100016990907_100011713725 [1,0,0,1,0,0|1,0,1]=4 18545 B13R1.28 OCCOCCCC1CCCCC1 34a_100000198086_100000211926 [1,0,0,1,0,0|1,0,1]=4 18546 B13R1.28 OCCOCCCC1CCCCC1 7a_100000198086_100000211926 [1,0,0,1,0,0|1,0,1]=4 18547 B13R1.28 OCCSCCCC1CCCCC1 62a_100000211926_100011713725 [1,0,0,1,0,0|1,0,1]=4 18548 B13R1.28 OCCSCCCC1CCCCC1 62a_100011713725_100000211926 [1,0,0,1,0,0|1,0,1]=4 18549 B13R1.34 CCCCNC1CCCCCC1=O 7a_106832991798_100000243696 [1,0,0,1,0,0|1,0,0]=3 18550 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000102301_100000735217 [1,0,0,1,0,0|2,0,0]=4 18551 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000698827_100000210211 [1,0,0,1,0,0|2,0,0]=4 18552 B13R1.34 CCCCNC1CCCCNC1=O 34a_100000698827_100000210210 [1,0,0,1,0,0|2,0,0]=4 18553 B13R1.34 CCCCNC1CCCCNC1=O 7a_106832991798_100000735217 [1,0,0,1,0,0|2,0,0]=4 18554 B13R1.34 CCCCOC1CCCCCC1=O 7a_100000210227_100000243696 [1,0,0,1,0,0|1,0,0]=3 18555 B13R1.34 CCCCOC1CCCCNC1=O 7a_100000210227_100000735217 [1,0,0,1,0,0|2,0,0]=4 18556 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000210211_100000243696 [1,0,0,1,0,0|1,0,0]=3 18557 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000243696_100000210210 [1,0,0,1,0,0|1,0,0]=3 18558 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000210211_100000735217 [1,0,0,1,0,0|2,0,0]=4 18559 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000735217_100000210210 [1,0,0,1,0,0|2,0,0]=4 18560 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000243696_100000739092 [1,0,0,1,0,0|2,0,0]=4 18561 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000739092_100000243696 [1,0,0,1,0,0|2,0,0]=4 18562 B13R1.34 CNCCCN1CCCCCC1=O 2230a_100000195386_200000210301 [1,0,0,1,0,0|2,0,0]=4 18563 B13R1.34 CNCCCN1CCCCCC1=O 34a_100000195386_200000210301 [1,0,0,1,0,0|2,0,0]=4 18564 B13R1.34 COCCSC1CCCCCC1=O 62a_100000233755_100000243696 [1,0,0,1,0,0|2,0,0]=4 18565 B13R1.34 COCCSC1CCCCCC1=O 62a_100000243696_100000233755 [1,0,0,1,0,0|2,0,0]=4 18566 B13R1.34 CSCCOC1CCCCCC1=O 7a_100000230434_100000243696 [1,0,0,1,0,0|2,0,0]=4 18567 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000212216_100000243696 [1,0,0,1,0,0|2,0,0]=4 18568 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000243696_100000751147 [1,0,0,1,0,0|2,0,0]=4 18569 B13R1.34 O=C1CCCCCC1SCCCF 62a_100000243696_100011934791 [1,0,0,1,0,0|2,0,0]=4 18570 B13R1.34 O=C1CCCCCC1SCCCF 62a_100011934791_100000243696 [1,0,0,1,0,0|2,0,0]=4 18571 B13R1.34 O=C1CCCCCC1SCCCO 62a_100000243696_100011215043 [1,0,0,1,0,0|2,0,0]=4 18572 B13R1.34 O=C1CCCCCC1SCCCO 62a_100011215043_100000243696 [1,0,0,1,0,0|2,0,0]=4 18573 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 2230a_100000195386_200025704644 [1,0,0,1,0,0|2,0,0]=4 18574 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 34a_100000195386_200025704644 [1,0,0,1,0,0|2,0,0]=4 18575 B13R1.84 C=CCCCN1CCCCC1CC 2230a_100000210034_100011713584 [1,0,0,1,0,0|1,0,1]=4 18576 B13R1.84 C=CCCCN1CCCCC1CC 269982a_100000210034_100000757094 [1,0,0,1,0,0|1,0,1]=4 18577 B13R1.84 C=CCCCN1CCCCC1CC 34a_100000210034_100000757094 [1,0,0,1,0,0|1,0,1]=4 18578 B13R1.84 C=CCCNC1CCCCC1CC 269862a_100015191253_100000757040 [1,0,0,1,0,0|1,0,1]=4 18579 B13R1.84 C=CCCNC1CCCCC1CC 270004a_100015191253_100000757040 [1,0,0,1,0,0|1,0,1]=4 18580 B13R1.84 C=CCCOC1CCCCC1CC 34a_100000210738_100000754431 [1,0,0,1,0,0|1,0,1]=4 18581 B13R1.84 C=CCCOC1CCCCC1CC 7a_100000210738_100000754431 [1,0,0,1,0,0|1,0,1]=4 18582 B13R1.84 CCC1CCCCC1NCCCF 269862a_100015189416_100000757040 [1,0,0,1,0,0|2,0,0]=4 18583 B13R1.84 CCC1CCCCC1NCCCF 270004a_100015189416_100000757040 [1,0,0,1,0,0|2,0,0]=4 18584 B13R1.84 CCC1CCCCC1NCCCO 269862a_100000182051_100000757040 [1,0,0,1,0,0|1,0,1]=4 18585 B13R1.84 CCC1CCCCC1NCCCO 270004a_100000182051_100000757040 [1,0,0,1,0,0|1,0,1]=4 18586 B13R1.84 CCC1CCCCC1OCCCF 34a_100000210738_100011934791 [1,0,0,1,0,0|2,0,0]=4 18587 B13R1.84 CCC1CCCCC1OCCCF 7a_100000210738_100011934791 [1,0,0,1,0,0|2,0,0]=4 18588 B13R1.84 CCC1CCCCC1OCCCO 34a_100000210738_100000230001 [1,0,0,1,0,0|1,0,1]=4 18589 B13R1.84 CCC1CCCCC1OCCCO 7a_100000210738_100011215043 [1,0,0,1,0,0|1,0,1]=4 18590 B13R1.84 CCC1CCCCN1CCCC=O 2230a_100000210034_200011292268 [1,0,0,1,0,0|1,0,0]=3 18591 B13R1.84 CCC1CCCCN1CCCC=O 269982a_100000210034_200011292268 [1,0,0,1,0,0|1,0,0]=3 18592 B13R1.84 CCC1CCCCN1CCCCF 2230a_100000210034_100000729493 [1,0,0,1,0,0|2,0,0]=4 18593 B13R1.84 CCC1CCCCN1CCCCF 269982a_100000210034_100000729493 [1,0,0,1,0,0|2,0,0]=4 18594 B13R1.84 CCC1CCCCN1CCCCF 34a_100000210034_100000729493 [1,0,0,1,0,0|2,0,0]=4 18595 B13R1.84 CCC1CCCCN1CCCCO 2230a_100000210034_100000210776 [1,0,0,1,0,0|1,0,1]=4 18596 B13R1.84 CCC1CCCCN1CCCCO 269982a_100000210034_100000210776 [1,0,0,1,0,0|1,0,1]=4 18597 B13R1.84 CCC1CCCCN1CCCCO 34a_100000210034_100011216708 [1,0,0,1,0,0|1,0,1]=4 18598 B13R1.84 CCCCCN1CCCCC1CC 2230a_100000210034_100000210326 [1,0,0,1,0,0|1,0,1]=4 18599 B13R1.84 CCCCCN1CCCCC1CC 269982a_100000210034_100000210215 [1,0,0,1,0,0|1,0,1]=4 18600 B13R1.84 CCCCCN1CCCCC1CC 34a_100000210034_100000718602 [1,0,0,1,0,0|1,0,1]=4 18601 B13R1.84 CCCCCN1CCCCC1CO 2230a_100000210821_100000210326 [1,0,0,1,0,0|1,0,1]=4 18602 B13R1.84 CCCCCN1CCCCC1CO 269982a_100000210821_100000210215 [1,0,0,1,0,0|1,0,1]=4 18603 B13R1.84 CCCCCN1CCCCC1CO 34a_100000210821_100000718602 [1,0,0,1,0,0|1,0,1]=4 18604 B13R1.84 CCCCNC1CCCCC1CC 269862a_100000102301_100000757040 [1,0,0,1,0,0|1,0,1]=4 18605 B13R1.84 CCCCNC1CCCCC1CC 270004a_100000102301_100000757040 [1,0,0,1,0,0|1,0,1]=4 18606 B13R1.84 CCCCNC1CCCCC1CO 270004a_100000102301_100009861125 [1,0,0,1,0,0|1,0,1]=4 18607 B13R1.84 CCCCOC1CCCCC1CC 34a_100000210738_100000210210 [1,0,0,1,0,0|1,0,1]=4 18608 B13R1.84 CCCCOC1CCCCC1CC 7a_100000210738_100000210211 [1,0,0,1,0,0|1,0,1]=4 18609 B13R1.84 CCCCOC1CCCCC1CN 34a_100011216029_100000210210 [1,0,0,1,0,0|2,0,0]=4 18610 B13R1.84 CCN1CCCCC1CNCC=O 2230a_100000754393_200015260668 [1,0,0,1,0,0|2,0,0]=4 18611 B13R1.84 CCN1CCCCC1CNCC=O 34a_100000754393_200009817547 [1,0,0,1,0,0|2,0,0]=4 18612 B13R1.84 CCN1CCCCC1COCC=O 34a_100000225091_200009817547 [1,0,0,1,0,0|2,0,0]=4 18613 B13R1.84 CCN1CCCCC1COCC=O 7a_100000225091_200015260668 [1,0,0,1,0,0|2,0,0]=4 18614 B13R1.84 CC[C@H]1COCCN1CCCC=O 2230a_100016988097_200011292268 [1,0,0,1,0,0|2,0,0]=4 18615 B13R1.84 CC[C@H]1COCCN1CCCC=O 269982a_100016988097_200011292268 [1,0,0,1,0,0|2,0,0]=4 18616 B13R1.84 O=CCCCN1CCCCC1CO 2230a_100000210821_200011292268 [1,0,0,1,0,0|2,0,0]=4 18617 B13R1.84 O=CCCCN1CCCCC1CO 269982a_100000210821_200011292268 [1,0,0,1,0,0|2,0,0]=4 18618 B13R1.119 BrCCCCCCOC1CCCC1 34a_100011215345_100000179811 [1,0,0,1,0,0|2,0,0]=4 18619 B13R1.119 BrCCCCCCOC1CCCC1 7a_100011215345_100000179811 [1,0,0,1,0,0|2,0,0]=4 18620 B13R1.119 BrCCCCCOCC1CCCC1 34a_100000746331_100000740388 [1,0,0,1,0,0|2,0,0]=4 18621 B13R1.119 BrCCCCCOCC1CCCC1 7a_100000746331_100000740388 [1,0,0,1,0,0|2,0,0]=4 18622 B13R1.119 BrCCCCOCCC1CCCC1 34a_100011216708_100000760354 [1,0,0,1,0,0|2,0,0]=4 18623 B13R1.119 BrCCCOCCCC1CCCC1 34a_100011217188_100011713738 [1,0,0,1,0,0|2,0,0]=4 18624 B13R1.119 C=CCCCCCCN1CCCC1 2230a_100000188435_100011215473 [1,0,0,1,0,0|1,0,1]=4 18625 B13R1.119 C=CCCCCCCN1CCCC1 269982a_100000188435_100011215473 [1,0,0,1,0,0|1,0,1]=4 18626 B13R1.119 C=CCCCCCNC1CCCC1 2230a_100000211070_100000700193 [1,0,0,1,0,0|1,0,1]=4 18627 B13R1.119 C=CCCCCCNC1CCCC1 34a_100000211070_100000700193 [1,0,0,1,0,0|1,0,1]=4 18628 B13R1.119 C=CCCCCCOC1CCCC1 34a_100000210269_100000700193 [1,0,0,1,0,0|1,0,1]=4 18629 B13R1.119 C=CCCCCCOC1CCCC1 34a_100011216702_100000179811 [1,0,0,1,0,0|1,0,1]=4 18630 B13R1.119 C=CCCCCCOC1CCCC1 7a_100000210269_100000700193 [1,0,0,1,0,0|1,0,1]=4 18631 B13R1.119 C=CCCCCCOC1CCCC1 7a_100011216702_100000179811 [1,0,0,1,0,0|1,0,1]=4 18632 B13R1.119 C=CCCCCCSC1CCCC1 62a_100000700193_100000179811 [1,0,0,1,0,0|1,0,1]=4 18633 B13R1.119 C=CCCCCCSC1CCCC1 62a_100011217020_100000700193 [1,0,0,1,0,0|1,0,1]=4 18634 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000703577_100000740388 [1,0,0,1,0,0|1,0,1]=4 18635 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000737975_100011215482 [1,0,0,1,0,0|1,0,1]=4 18636 B13R1.119 C=CCCCCNCC1CCCC1 269862a_100000703577_100000746403 [1,0,0,1,0,0|1,0,1]=4 18637 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000703577_100000740388 [1,0,0,1,0,0|1,0,1]=4 18638 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000737975_100011215482 [1,0,0,1,0,0|1,0,1]=4 18639 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000742336_100011215482 [1,0,0,1,0,0|1,0,1]=4 18640 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000766645_100000740388 [1,0,0,1,0,0|1,0,1]=4 18641 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000742336_100011215482 [1,0,0,1,0,0|1,0,1]=4 18642 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000766645_100000740388 [1,0,0,1,0,0|1,0,1]=4 18643 B13R1.119 C=CCCCCSCC1CCCC1 62a_100000740388_100011215482 [1,0,0,1,0,0|1,0,1]=4 18644 B13R1.119 C=CCCCCSCC1CCCC1 62a_100011215482_100000740388 [1,0,0,1,0,0|1,0,1]=4 18645 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000700776_100000760354 [1,0,0,1,0,0|1,0,1]=4 18646 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000739158_100011713584 [1,0,0,1,0,0|1,0,1]=4 18647 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000700776_100000760354 [1,0,0,1,0,0|1,0,1]=4 18648 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000739158_100000757094 [1,0,0,1,0,0|1,0,1]=4 18649 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000749090_100000757094 [1,0,0,1,0,0|1,0,1]=4 18650 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000758997_100000760354 [1,0,0,1,0,0|1,0,1]=4 18651 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000749090_100000757094 [1,0,0,1,0,0|1,0,1]=4 18652 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000758997_100000760354 [1,0,0,1,0,0|1,0,1]=4 18653 B13R1.119 C=CCCCSCCC1CCCC1 62a_100000760354_100000757094 [1,0,0,1,0,0|1,0,1]=4 18654 B13R1.119 C=CCCCSCCC1CCCC1 62a_100011713584_100000760354 [1,0,0,1,0,0|1,0,1]=4 18655 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100000736752_100000754431 [1,0,0,1,0,0|1,0,1]=4 18656 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100015191253_100011713738 [1,0,0,1,0,0|1,0,1]=4 18657 B13R1.119 C=CCCNCCCC1CCCC1 34a_100000736752_100000754431 [1,0,0,1,0,0|1,0,1]=4 18658 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011205117_100011713738 [1,0,0,1,0,0|1,0,1]=4 18659 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011215328_100000754431 [1,0,0,1,0,0|1,0,1]=4 18660 B13R1.119 C=CCCOCCCC1CCCC1 7a_100011215328_100000754431 [1,0,0,1,0,0|1,0,1]=4 18661 B13R1.119 C=CCCSCCCC1CCCC1 62a_100000754431_100011713738 [1,0,0,1,0,0|1,0,1]=4 18662 B13R1.119 C=CCCSCCCC1CCCC1 62a_100011713738_100000754431 [1,0,0,1,0,0|1,0,1]=4 18663 B13R1.119 CCCCCCCCN1CCCC1 2230a_100000188435_100000210759 [1,0,0,1,0,0|1,0,1]=4 18664 B13R1.119 CCCCCCCCN1CCCC1 269982a_100000188435_100000210759 [1,0,0,1,0,0|1,0,1]=4 18665 B13R1.119 CCCCCCCNC1CCCC1 2230a_100000211070_100000210681 [1,0,0,1,0,0|1,0,1]=4 18666 B13R1.119 CCCCCCCNC1CCCC1 2230a_100000229938_100000179811 [1,0,0,1,0,0|1,0,1]=4 18667 B13R1.119 CCCCCCCNC1CCCC1 270004a_100000229938_100000210133 [1,0,0,1,0,0|1,0,1]=4 18668 B13R1.119 CCCCCCCNC1CCCC1 34a_100000211070_100000210614 [1,0,0,1,0,0|1,0,1]=4 18669 B13R1.119 CCCCCCCOC1CCCC1 34a_100000210269_100000210614 [1,0,0,1,0,0|1,0,1]=4 18670 B13R1.119 CCCCCCCOC1CCCC1 34a_100000210272_100000179811 [1,0,0,1,0,0|1,0,1]=4 18671 B13R1.119 CCCCCCCOC1CCCC1 7a_100000210269_100000210614 [1,0,0,1,0,0|1,0,1]=4 18672 B13R1.119 CCCCCCCOC1CCCC1 7a_100000210272_100000179811 [1,0,0,1,0,0|1,0,1]=4 18673 B13R1.119 CCCCCCCOC1CCCO1 34a_100000085407_100000210614 [1,0,0,1,0,0|1,0,1]=4 18674 B13R1.119 CCCCCCCSC1CCCC1 62a_100000210614_100000179811 [1,0,0,1,0,0|1,0,1]=4 18675 B13R1.119 CCCCCCCSC1CCCC1 62a_100011217020_100000210316 [1,0,0,1,0,0|1,0,1]=4 18676 B13R1.119 CCCCCCNCC1CCCC1 2230a_100000210581_100000740388 [1,0,0,1,0,0|1,0,1]=4 18677 B13R1.119 CCCCCCNCC1CCCC1 2230a_100000737975_100000210314 [1,0,0,1,0,0|1,0,1]=4 18678 B13R1.119 CCCCCCNCC1CCCC1 269862a_100000210581_100000746403 [1,0,0,1,0,0|1,0,1]=4 18679 B13R1.119 CCCCCCNCC1CCCC1 34a_100000737975_100000210314 [1,0,0,1,0,0|1,0,1]=4 18680 B13R1.119 CCCCCCNCC1CCCO1 2230a_100000210581_100000203698 [1,0,0,1,0,0|1,0,1]=4 18681 B13R1.119 CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210314 [1,0,0,1,0,0|1,0,1]=4 18682 B13R1.119 CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210314 [1,0,0,1,0,0|1,0,1]=4 18683 B13R1.119 CCCCCCOCC1CCCC1 34a_100000210259_100000740388 [1,0,0,1,0,0|1,0,1]=4 18684 B13R1.119 CCCCCCOCC1CCCC1 34a_100000742336_100000210314 [1,0,0,1,0,0|1,0,1]=4 18685 B13R1.119 CCCCCCOCC1CCCC1 7a_100000210259_100000740388 [1,0,0,1,0,0|1,0,1]=4 18686 B13R1.119 CCCCCCOCC1CCCC1 7a_100000742336_100000210314 [1,0,0,1,0,0|1,0,1]=4 18687 B13R1.119 CCCCCCOCC1CCCO1 34a_100000210270_100000210314 [1,0,0,1,0,0|1,0,1]=4 18688 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210259_100000203698 [1,0,0,1,0,0|1,0,1]=4 18689 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210270_100000210314 [1,0,0,1,0,0|1,0,1]=4 18690 B13R1.119 CCCCCCOC[C@H]1CCCN1 34a_100000745186_100000210314 [1,0,0,1,0,0|2,0,0]=4 18691 B13R1.119 CCCCCCSCC1CCCC1 62a_100000210314_100000740388 [1,0,0,1,0,0|1,0,1]=4 18692 B13R1.119 CCCCCCSCC1CCCC1 62a_100000740388_100000210757 [1,0,0,1,0,0|1,0,1]=4 18693 B13R1.119 CCCCCCSCC1CCCO1 62a_100000203698_100000210757 [1,0,0,1,0,0|1,0,1]=4 18694 B13R1.119 CCCCCCSCC1CCCO1 62a_100000210314_100000203698 [1,0,0,1,0,0|1,0,1]=4 18695 B13R1.119 CCCCCNCCC1CCCC1 2230a_100000209983_100000760354 [1,0,0,1,0,0|1,0,1]=4 18696 B13R1.119 CCCCCNCCC1CCCC1 2230a_100000739158_100000210326 [1,0,0,1,0,0|1,0,1]=4 18697 B13R1.119 CCCCCNCCC1CCCC1 34a_100000739158_100000718602 [1,0,0,1,0,0|1,0,1]=4 18698 B13R1.119 CCCCCOCCC1CCCC1 34a_100000210253_100000760354 [1,0,0,1,0,0|1,0,1]=4 18699 B13R1.119 CCCCCOCCC1CCCC1 34a_100000749090_100000718602 [1,0,0,1,0,0|1,0,1]=4 18700 B13R1.119 CCCCCOCCC1CCCC1 7a_100000210253_100000760354 [1,0,0,1,0,0|1,0,1]=4 18701 B13R1.119 CCCCCOCCC1CCCC1 7a_100000749090_100000210326 [1,0,0,1,0,0|1,0,1]=4 18702 B13R1.119 CCCCCSCCC1CCCC1 62a_100000210326_100000760354 [1,0,0,1,0,0|1,0,1]=4 18703 B13R1.119 CCCCCSCCC1CCCC1 62a_100000760354_100000210326 [1,0,0,1,0,0|1,0,1]=4 18704 B13R1.119 CCCCNCCCC1CCCC1 2230a_100000102301_100011713738 [1,0,0,1,0,0|1,0,1]=4 18705 B13R1.119 CCCCNCCCC1CCCC1 2230a_100000736752_100000210211 [1,0,0,1,0,0|1,0,1]=4 18706 B13R1.119 CCCCNCCCC1CCCC1 34a_100000736752_100000210210 [1,0,0,1,0,0|1,0,1]=4 18707 B13R1.119 CCCCNCCCC1CCCC1 7a_106832991798_100011713738 [1,0,0,1,0,0|1,0,1]=4 18708 B13R1.119 CCCCOCCCC1CCCC1 34a_100000210227_100011713738 [1,0,0,1,0,0|1,0,1]=4 18709 B13R1.119 CCCCOCCCC1CCCC1 34a_100011215328_100000210210 [1,0,0,1,0,0|1,0,1]=4 18710 B13R1.119 CCCCOCCCC1CCCC1 7a_100000210227_100011713738 [1,0,0,1,0,0|1,0,1]=4 18711 B13R1.119 CCCCOCCCC1CCCC1 7a_100011215328_100000210211 [1,0,0,1,0,0|1,0,1]=4 18712 B13R1.119 CCCCSCCCC1CCCC1 62a_100000210211_100011713738 [1,0,0,1,0,0|1,0,1]=4 18713 B13R1.119 CCCCSCCCC1CCCC1 62a_100011713738_100000210210 [1,0,0,1,0,0|1,0,1]=4 18714 B13R1.119 ClCCCCCCOC1CCCC1 34a_100000766143_100000179811 [1,0,0,1,0,0|2,0,0]=4 18715 B13R1.119 ClCCCCCCOC1CCCC1 7a_100000766143_100000179811 [1,0,0,1,0,0|2,0,0]=4 18716 B13R1.119 ClCCCCCOCC1CCCC1 34a_100000746330_100000740388 [1,0,0,1,0,0|2,0,0]=4 18717 B13R1.119 ClCCCCCOCC1CCCC1 7a_100000746330_100000740388 [1,0,0,1,0,0|2,0,0]=4 18718 B13R1.119 ClCCCCOCCC1CCCC1 34a_100000210776_100000760354 [1,0,0,1,0,0|2,0,0]=4 18719 B13R1.119 ClCCCCOCCC1CCCC1 7a_100000210776_100000760354 [1,0,0,1,0,0|2,0,0]=4 18720 B13R1.119 ClCCCOCCCC1CCCC1 34a_100000230001_100011713738 [1,0,0,1,0,0|2,0,0]=4 18721 B13R1.119 FCCCCCCNC1CCCC1 2230a_100000211070_100015922095 [1,0,0,1,0,0|2,0,0]=4 18722 B13R1.119 FCCCCCCNC1CCCC1 34a_100000211070_100015922095 [1,0,0,1,0,0|2,0,0]=4 18723 B13R1.119 FCCCCCCOC1CCCC1 34a_100000210269_100015922095 [1,0,0,1,0,0|2,0,0]=4 18724 B13R1.119 FCCCCCCOC1CCCC1 34a_100000732779_100000179811 [1,0,0,1,0,0|2,0,0]=4 18725 B13R1.119 FCCCCCCOC1CCCC1 7a_100000210269_100015922095 [1,0,0,1,0,0|2,0,0]=4 18726 B13R1.119 FCCCCCCOC1CCCC1 7a_100000732779_100000179811 [1,0,0,1,0,0|2,0,0]=4 18727 B13R1.119 FCCCCCCSC1CCCC1 62a_100011217020_100015922095 [1,0,0,1,0,0|2,0,0]=4 18728 B13R1.119 FCCCCCCSC1CCCC1 62a_100015922095_100000179811 [1,0,0,1,0,0|2,0,0]=4 18729 B13R1.119 FCCCCCNCC1CCCC1 2230a_100000737975_100000729378 [1,0,0,1,0,0|2,0,0]=4 18730 B13R1.119 FCCCCCNCC1CCCC1 34a_100000737975_100000729378 [1,0,0,1,0,0|2,0,0]=4 18731 B13R1.119 FCCCCCOCC1CCCC1 34a_100000742336_100000729378 [1,0,0,1,0,0|2,0,0]=4 18732 B13R1.119 FCCCCCOCC1CCCC1 7a_100000742336_100000729378 [1,0,0,1,0,0|2,0,0]=4 18733 B13R1.119 FCCCCCSCC1CCCC1 62a_100000729378_100000740388 [1,0,0,1,0,0|2,0,0]=4 18734 B13R1.119 FCCCCCSCC1CCCC1 62a_100000740388_100000729378 [1,0,0,1,0,0|2,0,0]=4 18735 B13R1.119 FCCCCNCCC1CCCC1 2230a_100000739158_100000729493 [1,0,0,1,0,0|2,0,0]=4 18736 B13R1.119 FCCCCNCCC1CCCC1 34a_100000739158_100000729493 [1,0,0,1,0,0|2,0,0]=4 18737 B13R1.119 FCCCCOCCC1CCCC1 34a_100000749090_100000729493 [1,0,0,1,0,0|2,0,0]=4 18738 B13R1.119 FCCCCOCCC1CCCC1 34a_100011995726_100000760354 [1,0,0,1,0,0|2,0,0]=4 18739 B13R1.119 FCCCCOCCC1CCCC1 7a_100000749090_100000729493 [1,0,0,1,0,0|2,0,0]=4 18740 B13R1.119 FCCCCOCCC1CCCC1 7a_100011995726_100000760354 [1,0,0,1,0,0|2,0,0]=4 18741 B13R1.119 FCCCCSCCC1CCCC1 62a_100000729493_100000760354 [1,0,0,1,0,0|2,0,0]=4 18742 B13R1.119 FCCCCSCCC1CCCC1 62a_100000760354_100000729493 [1,0,0,1,0,0|2,0,0]=4 18743 B13R1.119 FCCCNCCCC1CCCC1 2230a_100000736752_100011934791 [1,0,0,1,0,0|2,0,0]=4 18744 B13R1.119 FCCCNCCCC1CCCC1 2230a_100015189416_100011713738 [1,0,0,1,0,0|2,0,0]=4 18745 B13R1.119 FCCCNCCCC1CCCC1 34a_100000736752_100011934791 [1,0,0,1,0,0|2,0,0]=4 18746 B13R1.119 FCCCNCCCC1CCCC1 34a_100015189416_100011713738 [1,0,0,1,0,0|2,0,0]=4 18747 B13R1.119 FCCCOCCCC1CCCC1 34a_100000759539_100011713738 [1,0,0,1,0,0|2,0,0]=4 18748 B13R1.119 FCCCOCCCC1CCCC1 34a_100011215328_100011934791 [1,0,0,1,0,0|2,0,0]=4 18749 B13R1.119 FCCCOCCCC1CCCC1 7a_100011215328_100011934791 [1,0,0,1,0,0|2,0,0]=4 18750 B13R1.119 FCCCSCCCC1CCCC1 62a_100011713738_100011934791 [1,0,0,1,0,0|2,0,0]=4 18751 B13R1.119 FCCCSCCCC1CCCC1 62a_100011934791_100011713738 [1,0,0,1,0,0|2,0,0]=4 18752 B13R1.119 ICCCCCOCC1CCCC1 34a_200012148887_100000740388 [1,0,0,1,0,0|2,0,0]=4 18753 B13R1.119 ICCCCCOCC1CCCC1 7a_200012148887_100000740388 [1,0,0,1,0,0|2,0,0]=4 18754 B13R1.119 ICCCCOCCC1CCCC1 34a_200012148704_100000760354 [1,0,0,1,0,0|2,0,0]=4 18755 B13R1.119 NCCCCCCOC1CCCC1 34a_100000686447_100000179811 [1,0,0,1,0,0|2,0,0]=4 18756 B13R1.119 NCCCCCOCC1CCCC1 34a_100000762737_100000740388 [1,0,0,1,0,0|2,0,0]=4 18757 B13R1.119 NCCCCOCCC1CCCC1 34a_100000750430_100000760354 [1,0,0,1,0,0|2,0,0]=4 18758 B13R1.119 NCCCOCCCC1CCCC1 34a_100000182051_100011713738 [1,0,0,1,0,0|2,0,0]=4 18759 B13R1.119 O=CCCCCCNC1CCCC1 2230a_100000211070_100000139337 [1,0,0,1,0,0|1,0,0]=3 18760 B13R1.119 O=CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000139337 [1,0,0,1,0,0|2,0,0]=4 18761 B13R1.119 O=CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000139337 [1,0,0,1,0,0|2,0,0]=4 18762 B13R1.119 O=CCCCCCOC1CCCC1 7a_100000210269_100000139337 [1,0,0,1,0,0|1,0,0]=3 18763 B13R1.119 O=CCCCCCOC1CCSC1 7a_100011232664_100000139337 [1,0,0,1,0,0|2,0,0]=4 18764 B13R1.119 O=CCCCCCSC1CCCC1 62a_100000139337_100000179811 [1,0,0,1,0,0|1,0,0]=3 18765 B13R1.119 O=CCCCCCSC1CCCC1 62a_100011217020_100000139337 [1,0,0,1,0,0|1,0,0]=3 18766 B13R1.119 O=CCCCCCSC1CCOC1 62a_100000139337_100000690089 [1,0,0,1,0,0|2,0,0]=4 18767 B13R1.119 O=CCCCCNCC1CCCC1 2230a_100000737975_100000139335 [1,0,0,1,0,0|1,0,0]=3 18768 B13R1.119 O=CCCCCNCC1CCOC1 2230a_100000737293_100000139335 [1,0,0,1,0,0|2,0,0]=4 18769 B13R1.119 O=CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139335 [1,0,0,1,0,0|2,0,0]=4 18770 B13R1.119 O=CCCCCOCC1CCCC1 7a_100000742336_100000139335 [1,0,0,1,0,0|1,0,0]=3 18771 B13R1.119 O=CCCCCOCC1CCCO1 7a_100000210270_100000139335 [1,0,0,1,0,0|2,0,0]=4 18772 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000139335_100000740388 [1,0,0,1,0,0|1,0,0]=3 18773 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000740388_100000139335 [1,0,0,1,0,0|1,0,0]=3 18774 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000139335_100000203698 [1,0,0,1,0,0|2,0,0]=4 18775 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000203698_100000139335 [1,0,0,1,0,0|2,0,0]=4 18776 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000139335_100000702531 [1,0,0,1,0,0|2,0,0]=4 18777 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000702531_100000139335 [1,0,0,1,0,0|2,0,0]=4 18778 B13R1.119 O=CCCCNCCC1CCCC1 2230a_100000739158_200011292268 [1,0,0,1,0,0|1,0,0]=3 18779 B13R1.119 O=CCCCOCCC1CCCC1 7a_100000749090_200011292268 [1,0,0,1,0,0|1,0,0]=3 18780 B13R1.119 O=CCCCSCCC1CCCC1 62a_100000760354_200011292268 [1,0,0,1,0,0|1,0,0]=3 18781 B13R1.119 O=CCCCSCCC1CCCC1 62a_200011292268_100000760354 [1,0,0,1,0,0|1,0,0]=3 18782 B13R1.119 O=CCCCSCCN1CCCC1 62a_100000700749_200011292268 [1,0,0,1,0,0|2,0,0]=4 18783 B13R1.119 O=CCCCSCCN1CCCC1 62a_200011292268_100000004467 [1,0,0,1,0,0|2,0,0]=4 18784 B13R1.119 O=CCNCCCOC1CCCC1 34a_100000747560_200009817547 [1,0,0,1,0,0|2,0,0]=4 18785 B13R1.119 OCCCCCCCN1CCCC1 2230a_100000188435_100000760002 [1,0,0,1,0,0|1,0,1]=4 18786 B13R1.119 OCCCCCCCN1CCCC1 269982a_100000188435_100000760002 [1,0,0,1,0,0|1,0,1]=4 18787 B13R1.119 OCCCCCCNC1CCCC1 2230a_100000211070_100000766143 [1,0,0,1,0,0|1,0,1]=4 18788 B13R1.119 OCCCCCCNC1CCCC1 2230a_100000686447_100000179811 [1,0,0,1,0,0|1,0,1]=4 18789 B13R1.119 OCCCCCCNC1CCCC1 270004a_100000686447_100000210133 [1,0,0,1,0,0|1,0,1]=4 18790 B13R1.119 OCCCCCCNC1CCCC1 34a_100000211070_100000766143 [1,0,0,1,0,0|1,0,1]=4 18791 B13R1.119 OCCCCCCNC1CCCC1 34a_100000686447_100000179811 [1,0,0,1,0,0|1,0,1]=4 18792 B13R1.119 OCCCCCCOC1CCCC1 34a_100000210269_100000766143 [1,0,0,1,0,0|1,0,1]=4 18793 B13R1.119 OCCCCCCOC1CCCC1 7a_100000210269_100000766143 [1,0,0,1,0,0|1,0,1]=4 18794 B13R1.119 OCCCCCCSC1CCCC1 62a_100000766143_100000179811 [1,0,0,1,0,0|1,0,1]=4 18795 B13R1.119 OCCCCCCSC1CCCC1 62a_100011217020_100000766143 [1,0,0,1,0,0|1,0,1]=4 18796 B13R1.119 OCCCCCNCC1CCCC1 2230a_100000737975_100000746330 [1,0,0,1,0,0|1,0,1]=4 18797 B13R1.119 OCCCCCNCC1CCCC1 2230a_100000762737_100000740388 [1,0,0,1,0,0|1,0,1]=4 18798 B13R1.119 OCCCCCNCC1CCCC1 269862a_100000762737_100000746403 [1,0,0,1,0,0|1,0,1]=4 18799 B13R1.119 OCCCCCNCC1CCCC1 34a_100000737975_100000746330 [1,0,0,1,0,0|1,0,1]=4 18800 B13R1.119 OCCCCCNCC1CCCC1 34a_100000762737_100000740388 [1,0,0,1,0,0|1,0,1]=4 18801 B13R1.119 OCCCCCOCC1CCCC1 34a_100000742336_100000746330 [1,0,0,1,0,0|1,0,1]=4 18802 B13R1.119 OCCCCCOCC1CCCC1 7a_100000742336_100000746330 [1,0,0,1,0,0|1,0,1]=4 18803 B13R1.119 OCCCCCSCC1CCCC1 62a_100000740388_100000746330 [1,0,0,1,0,0|1,0,1]=4 18804 B13R1.119 OCCCCCSCC1CCCC1 62a_100000746330_100000740388 [1,0,0,1,0,0|1,0,1]=4 18805 B13R1.119 OCCCCNCCC1CCCC1 2230a_100000739158_100000210776 [1,0,0,1,0,0|1,0,1]=4 18806 B13R1.119 OCCCCNCCC1CCCC1 2230a_100000750430_100000760354 [1,0,0,1,0,0|1,0,1]=4 18807 B13R1.119 OCCCCNCCC1CCCC1 34a_100000739158_100011216708 [1,0,0,1,0,0|1,0,1]=4 18808 B13R1.119 OCCCCNCCC1CCCC1 34a_100000750430_100000760354 [1,0,0,1,0,0|1,0,1]=4 18809 B13R1.119 OCCCCOCCC1CCCC1 34a_100000749090_100011216708 [1,0,0,1,0,0|1,0,1]=4 18810 B13R1.119 OCCCCOCCC1CCCC1 7a_100000749090_100000210776 [1,0,0,1,0,0|1,0,1]=4 18811 B13R1.119 OCCCCSCCC1CCCC1 62a_100000210776_100000760354 [1,0,0,1,0,0|1,0,1]=4 18812 B13R1.119 OCCCCSCCC1CCCC1 62a_100000760354_100000210776 [1,0,0,1,0,0|1,0,1]=4 18813 B13R1.119 OCCCNCCCC1CCCC1 2230a_100000736752_100000230001 [1,0,0,1,0,0|1,0,1]=4 18814 B13R1.119 OCCCNCCCC1CCCC1 34a_100000736752_100000230001 [1,0,0,1,0,0|1,0,1]=4 18815 B13R1.119 OCCCOCCCC1CCCC1 34a_100011215328_100000230001 [1,0,0,1,0,0|1,0,1]=4 18816 B13R1.119 OCCCOCCCC1CCCC1 7a_100011215328_100011215043 [1,0,0,1,0,0|1,0,1]=4 18817 B13R1.119 OCCCSCCCC1CCCC1 62a_100011215043_100011713738 [1,0,0,1,0,0|1,0,1]=4 18818 B13R1.119 OCCCSCCCC1CCCC1 62a_100011713738_100011215043 [1,0,0,1,0,0|1,0,1]=4 18819 B13R1.137 C=CCCCCN1CCCC1CC 2230a_100000754278_100011215482 [1,0,0,1,0,0|1,0,1]=4 18820 B13R1.137 C=CCCCCN1CCCC1CC 269982a_100000754278_100011215482 [1,0,0,1,0,0|1,0,1]=4 18821 B13R1.137 C=CCCCCN1CCCC1CC 34a_100000754278_100011215482 [1,0,0,1,0,0|1,0,1]=4 18822 B13R1.137 C=CCCCNC1CCCC1CC 269862a_100000700776_100000749056 [1,0,0,1,0,0|1,0,1]=4 18823 B13R1.137 C=CCCCNC1CCCC1CC 270004a_100000700776_100000749056 [1,0,0,1,0,0|1,0,1]=4 18824 B13R1.137 CCC1CCCC1NCCCCO 269862a_100000750430_100000749056 [1,0,0,1,0,0|1,0,1]=4 18825 B13R1.137 CCC1CCCC1NCCCCO 270004a_100000750430_100000749056 [1,0,0,1,0,0|1,0,1]=4 18826 B13R1.137 CCC1CCCN1CCCCC=O 2230a_100000754278_100000139335 [1,0,0,1,0,0|1,0,0]=3 18827 B13R1.137 CCC1CCCN1CCCCC=O 269982a_100000754278_100000139335 [1,0,0,1,0,0|1,0,0]=3 18828 B13R1.137 CCC1CCCN1CCCCCF 2230a_100000754278_100000729378 [1,0,0,1,0,0|2,0,0]=4 18829 B13R1.137 CCC1CCCN1CCCCCF 269982a_100000754278_100000729378 [1,0,0,1,0,0|2,0,0]=4 18830 B13R1.137 CCC1CCCN1CCCCCF 34a_100000754278_100000729378 [1,0,0,1,0,0|2,0,0]=4 18831 B13R1.137 CCC1CCCN1CCCCCO 2230a_100000754278_100000746330 [1,0,0,1,0,0|1,0,1]=4 18832 B13R1.137 CCC1CCCN1CCCCCO 269982a_100000754278_100000746330 [1,0,0,1,0,0|1,0,1]=4 18833 B13R1.137 CCC1CCCN1CCCCCO 34a_100000754278_100000746330 [1,0,0,1,0,0|1,0,1]=4 18834 B13R1.137 CCCCCCC1CCCC1NC 269862a_106832991636_100000189428 [1,0,0,1,0,0|1,0,1]=4 18835 B13R1.137 CCCCCCC1CCCC1NC 270004a_106832991635_100000189428 [1,0,0,1,0,0|1,0,1]=4 18836 B13R1.137 CCCCCCN1CCCC1CC 2230a_100000754278_100000210314 [1,0,0,1,0,0|1,0,1]=4 18837 B13R1.137 CCCCCCN1CCCC1CC 269982a_100000754278_100000210757 [1,0,0,1,0,0|1,0,1]=4 18838 B13R1.137 CCCCCCN1CCCC1CC 34a_100000754278_100000210314 [1,0,0,1,0,0|1,0,1]=4 18839 B13R1.137 CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210314 [1,0,0,1,0,0|1,0,1]=4 18840 B13R1.137 CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210757 [1,0,0,1,0,0|1,0,1]=4 18841 B13R1.137 CCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000210314 [1,0,0,1,0,0|1,0,1]=4 18842 B13R1.137 CCCCCNC1CCCC1CC 269862a_100000209983_100000749056 [1,0,0,1,0,0|1,0,1]=4 18843 B13R1.137 CCCCCNC1CCCC1CC 270004a_100000209983_100000749056 [1,0,0,1,0,0|1,0,1]=4 18844 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139335 [1,0,0,1,0,0|2,0,0]=4 18845 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139335 [1,0,0,1,0,0|2,0,0]=4 18846 B13R1.192 COCC1CCN1CCCCC=O 2230a_100015195929_100000139335 [1,0,0,1,0,0|2,0,0]=4 18847 B13R1.192 COCC1CCN1CCCCC=O 269982a_100015195929_100000139335 [1,0,0,1,0,0|2,0,0]=4 18848 B13R1.485 C=CCC1CCCCC1NCCC 269862a_100020643023_100011214939 [1,0,0,1,0,0|1,0,1]=4 18849 B13R1.485 C=CCC1CCCCC1NCCC 270004a_100020643023_100011214939 [1,0,0,1,0,0|1,0,1]=4 18850 B13R1.485 C=CCCN1CCCCC1CCC 2230a_100000701414_100000754431 [1,0,0,1,0,0|1,0,1]=4 18851 B13R1.485 C=CCCN1CCCCC1CCC 269982a_100000701414_100000754431 [1,0,0,1,0,0|1,0,1]=4 18852 B13R1.485 C=CCCN1CCCCC1CCC 34a_100000701414_100000754431 [1,0,0,1,0,0|1,0,1]=4 18853 B13R1.485 C=CCNC1CCCCC1CCC 270004a_100020586998_100011218038 [1,0,0,1,0,0|1,0,1]=4 18854 B13R1.485 C=CCOC1CCCCC1CCC 34a_100011217265_100015514636 [1,0,0,1,0,0|1,0,1]=4 18855 B13R1.485 C=CCOC1CCCCC1CCC 7a_100011217265_100015514636 [1,0,0,1,0,0|1,0,1]=4 18856 B13R1.485 CCCC1CCCCC1NCCF 269862a_100000724931_100011218038 [1,0,0,1,0,0|2,0,0]=4 18857 B13R1.485 CCCC1CCCCC1NCCO 269862a_100000210304_100011218038 [1,0,0,1,0,0|1,0,1]=4 18858 B13R1.485 CCCC1CCCCC1NCCO 270004a_100000210304_100011218038 [1,0,0,1,0,0|1,0,1]=4 18859 B13R1.485 CCCC1CCCCC1OCC=O 34a_100011217265_200009817547 [1,0,0,1,0,0|1,0,0]=3 18860 B13R1.485 CCCC1CCCCC1OCC=O 7a_100011217265_200015260668 [1,0,0,1,0,0|1,0,0]=3 18861 B13R1.485 CCCC1CCCCC1OCCF 34a_100011217265_100011217306 [1,0,0,1,0,0|2,0,0]=4 18862 B13R1.485 CCCC1CCCCC1OCCF 7a_100011217265_100011217306 [1,0,0,1,0,0|2,0,0]=4 18863 B13R1.485 CCCC1CCCCC1OCCO 34a_100011217265_100000211926 [1,0,0,1,0,0|1,0,1]=4 18864 B13R1.485 CCCC1CCCCC1OCCO 7a_100011217265_100000211926 [1,0,0,1,0,0|1,0,1]=4 18865 B13R1.485 CCCC1CCCCN1CCCF 2230a_100000701414_100011934791 [1,0,0,1,0,0|2,0,0]=4 18866 B13R1.485 CCCC1CCCCN1CCCF 269982a_100000701414_100011934791 [1,0,0,1,0,0|2,0,0]=4 18867 B13R1.485 CCCC1CCCCN1CCCF 34a_100000701414_100011934791 [1,0,0,1,0,0|2,0,0]=4 18868 B13R1.485 CCCC1CCCCN1CCCO 2230a_100000701414_100000230001 [1,0,0,1,0,0|1,0,1]=4 18869 B13R1.485 CCCC1CCCCN1CCCO 269982a_100000701414_100011215043 [1,0,0,1,0,0|1,0,1]=4 18870 B13R1.485 CCCC1CCCCN1CCCO 34a_100000701414_100000230001 [1,0,0,1,0,0|1,0,1]=4 18871 B13R1.485 CCCCN1CCCCC1CCC 2230a_100000701414_100000210211 [1,0,0,1,0,0|1,0,1]=4 18872 B13R1.485 CCCCN1CCCCC1CCC 269982a_100000701414_100000210211 [1,0,0,1,0,0|1,0,1]=4 18873 B13R1.485 CCCCN1CCCCC1CCC 34a_100000701414_100000210210 [1,0,0,1,0,0|1,0,1]=4 18874 B13R1.485 CCCCN1CCCCC1CCO 2230a_100000211664_100000210211 [1,0,0,1,0,0|1,0,1]=4 18875 B13R1.485 CCCCN1CCCCC1CCO 269982a_100000211664_100000210211 [1,0,0,1,0,0|1,0,1]=4 18876 B13R1.485 CCCCN1CCCCC1CCO 34a_100000211664_100000210210 [1,0,0,1,0,0|1,0,1]=4 18877 B13R1.485 CCCN1CCCCC1CCCO 2230a_100011934581_100000210303 [1,0,0,1,0,0|1,0,1]=4 18878 B13R1.485 CCCN1CCCCC1CCCO 269982a_100011934581_100000210303 [1,0,0,1,0,0|1,0,1]=4 18879 B13R1.485 CCCN1CCCCC1CCCO 34a_100011934581_100000210303 [1,0,0,1,0,0|1,0,1]=4 18880 B13R1.485 CCCNC1CCCCC1CCC 269862a_100020643023_100011218038 [1,0,0,1,0,0|1,0,1]=4 18881 B13R1.485 CCCNC1CCCCC1CCC 270004a_100020643023_100011218038 [1,0,0,1,0,0|1,0,1]=4 18882 B13R1.485 CCCOC1CCCCC1CCC 34a_100011217265_100000210303 [1,0,0,1,0,0|1,0,1]=4 18883 B13R1.485 CCCOC1CCCCC1CCC 7a_100011217265_100000210303 [1,0,0,1,0,0|1,0,1]=4 18884 B13R1.485 COCCC1CCCCN1CC=O 2230a_100015186528_200015260668 [1,0,0,1,0,0|2,0,0]=4 18885 B13R1.485 COCCC1CCCCN1CC=O 269982a_100015186528_200015260668 [1,0,0,1,0,0|2,0,0]=4 18886 B13R1.485 COCCC1CCCCN1CC=O 34a_100015186528_200009817547 [1,0,0,1,0,0|2,0,0]=4 18887 B13R1.485 O=CCN1CCCCC1CCCO 2230a_100011934581_200015260668 [1,0,0,1,0,0|2,0,0]=4 18888 B13R1.485 O=CCN1CCCCC1CCCO 269982a_100011934581_200015260668 [1,0,0,1,0,0|2,0,0]=4 18889 B13R1.485 O=CCN1CCCCC1CCCO 34a_100011934581_200009817547 [1,0,0,1,0,0|2,0,0]=4 18890 B13R1.489 C=CCCN1CCCCCCCC1 2230a_100000039187_100000754431 [1,0,0,1,0,0|1,0,1]=4 18891 B13R1.489 C=CCCN1CCCCCCCC1 269982a_100000039187_100000754431 [1,0,0,1,0,0|1,0,1]=4 18892 B13R1.489 C=CCCN1CCCCCCCC1 34a_100000039187_100000754431 [1,0,0,1,0,0|1,0,1]=4 18893 B13R1.489 C=CCNC1CCCCCCCC1 270004a_100020586998_100000038600 [1,0,0,1,0,0|1,0,1]=4 18894 B13R1.489 CCCCN1CCCCCCCC1 2230a_100000039187_100000210211 [1,0,0,1,0,0|1,0,1]=4 18895 B13R1.489 CCCCN1CCCCCCCC1 269982a_100000039187_100000210211 [1,0,0,1,0,0|1,0,1]=4 18896 B13R1.489 CCCCN1CCCCCCCC1 34a_100000039187_100000210210 [1,0,0,1,0,0|1,0,1]=4 18897 B13R1.489 CCCNC1CCCCCCCC1 270004a_100020643023_100000038600 [1,0,0,1,0,0|1,0,1]=4 18898 B13R1.489 FCCCN1CCCCCCCC1 2230a_100000039187_100011934791 [1,0,0,1,0,0|2,0,0]=4 18899 B13R1.489 FCCCN1CCCCCCCC1 269982a_100000039187_100011934791 [1,0,0,1,0,0|2,0,0]=4 18900 B13R1.489 FCCCN1CCCCCCCC1 34a_100000039187_100011934791 [1,0,0,1,0,0|2,0,0]=4 18901 B13R1.489 OCCCN1CCCCCCCC1 2230a_100000039187_100000230001 [1,0,0,1,0,0|1,0,1]=4 18902 B13R1.489 OCCCN1CCCCCCCC1 269982a_100000039187_100011215043 [1,0,0,1,0,0|1,0,1]=4 18903 B13R1.489 OCCCN1CCCCCCCC1 34a_100000039187_100000230001 [1,0,0,1,0,0|1,0,1]=4 18904 B13R1.489 OCCNC1CCCCCCCC1 270004a_100000210304_100000038600 [1,0,0,1,0,0|1,0,1]=4 18905 B13R1.555 C=CCCCCN1CCCCC1C 2230a_100000211376_100011215482 [1,0,0,1,0,0|1,0,1]=4 18906 B13R1.555 C=CCCCCN1CCCCC1C 269982a_100000211376_100011215482 [1,0,0,1,0,0|1,0,1]=4 18907 B13R1.555 C=CCCCCN1CCCCC1C 34a_100000211376_100011215482 [1,0,0,1,0,0|1,0,1]=4 18908 B13R1.555 C=CCCCNC1CCCCC1C 2230a_100000211402_100011713584 [1,0,0,1,0,0|1,0,1]=4 18909 B13R1.555 C=CCCCNC1CCCCC1C 269862a_100000700776_100000210921 [1,0,0,1,0,0|1,0,1]=4 18910 B13R1.555 C=CCCCNC1CCCCC1C 270004a_100000700776_100000210921 [1,0,0,1,0,0|1,0,1]=4 18911 B13R1.555 C=CCCCNC1CCCCC1C 34a_100000211402_100000757094 [1,0,0,1,0,0|1,0,1]=4 18912 B13R1.555 C=CCCCOC1CCCCC1C 34a_100000211207_100000757094 [1,0,0,1,0,0|1,0,1]=4 18913 B13R1.555 C=CCCCOC1CCCCC1C 7a_100000211207_100000757094 [1,0,0,1,0,0|1,0,1]=4 18914 B13R1.555 CC1CCCCC1NCCCC=O 2230a_100000211402_200011292268 [1,0,0,1,0,0|1,0,0]=3 18915 B13R1.555 CC1CCCCC1NCCCCF 2230a_100000211402_100000729493 [1,0,0,1,0,0|2,0,0]=4 18916 B13R1.555 CC1CCCCC1NCCCCF 34a_100000211402_100000729493 [1,0,0,1,0,0|2,0,0]=4 18917 B13R1.555 CC1CCCCC1NCCCCO 2230a_100000211402_100000210776 [1,0,0,1,0,0|1,0,1]=4 18918 B13R1.555 CC1CCCCC1NCCCCO 269862a_100000750430_100000210921 [1,0,0,1,0,0|1,0,1]=4 18919 B13R1.555 CC1CCCCC1NCCCCO 270004a_100000750430_100000210921 [1,0,0,1,0,0|1,0,1]=4 18920 B13R1.555 CC1CCCCC1NCCCCO 34a_100000211402_100011216708 [1,0,0,1,0,0|1,0,1]=4 18921 B13R1.555 CC1CCCCC1OCCCC=O 7a_100000211207_200011292268 [1,0,0,1,0,0|1,0,0]=3 18922 B13R1.555 CC1CCCCC1OCCCCF 34a_100000211207_100000729493 [1,0,0,1,0,0|2,0,0]=4 18923 B13R1.555 CC1CCCCC1OCCCCF 7a_100000211207_100000729493 [1,0,0,1,0,0|2,0,0]=4 18924 B13R1.555 CC1CCCCC1OCCCCO 34a_100000211207_100011216708 [1,0,0,1,0,0|1,0,1]=4 18925 B13R1.555 CC1CCCCC1OCCCCO 7a_100000211207_100000210776 [1,0,0,1,0,0|1,0,1]=4 18926 B13R1.555 CC1CCCCN1CCCCC=O 2230a_100000211376_100000139335 [1,0,0,1,0,0|1,0,0]=3 18927 B13R1.555 CC1CCCCN1CCCCC=O 269982a_100000211376_100000139335 [1,0,0,1,0,0|1,0,0]=3 18928 B13R1.555 CC1CCCCN1CCCCCF 2230a_100000211376_100000729378 [1,0,0,1,0,0|2,0,0]=4 18929 B13R1.555 CC1CCCCN1CCCCCF 269982a_100000211376_100000729378 [1,0,0,1,0,0|2,0,0]=4 18930 B13R1.555 CC1CCCCN1CCCCCF 34a_100000211376_100000729378 [1,0,0,1,0,0|2,0,0]=4 18931 B13R1.555 CC1CCCCN1CCCCCO 2230a_100000211376_100000746330 [1,0,0,1,0,0|1,0,1]=4 18932 B13R1.555 CC1CCCCN1CCCCCO 269982a_100000211376_100000746330 [1,0,0,1,0,0|1,0,1]=4 18933 B13R1.555 CC1CCCCN1CCCCCO 34a_100000211376_100000746330 [1,0,0,1,0,0|1,0,1]=4 18934 B13R1.555 CC1CCCCN1CCNCC=O 2230a_100000739827_200015260668 [1,0,0,1,0,0|2,0,0]=4 18935 B13R1.555 CC1CCCCN1CCNCC=O 34a_100000739827_200009817547 [1,0,0,1,0,0|2,0,0]=4 18936 B13R1.555 CC1CCCCN1CCOCC=O 34a_100011305533_200009817547 [1,0,0,1,0,0|2,0,0]=4 18937 B13R1.555 CCCCCCN1CCCCC1C 2230a_100000211376_100000210314 [1,0,0,1,0,0|1,0,1]=4 18938 B13R1.555 CCCCCCN1CCCCC1C 269982a_100000211376_100000210757 [1,0,0,1,0,0|1,0,1]=4 18939 B13R1.555 CCCCCCN1CCCCC1C 34a_100000211376_100000210314 [1,0,0,1,0,0|1,0,1]=4 18940 B13R1.555 CCCCCNC1CCCCC1C 2230a_100000211402_100000210326 [1,0,0,1,0,0|1,0,1]=4 18941 B13R1.555 CCCCCNC1CCCCC1C 269862a_100000209983_100000210921 [1,0,0,1,0,0|1,0,1]=4 18942 B13R1.555 CCCCCNC1CCCCC1C 270004a_100000209983_100000210921 [1,0,0,1,0,0|1,0,1]=4 18943 B13R1.555 CCCCCNC1CCCCC1C 34a_100000211402_100000718602 [1,0,0,1,0,0|1,0,1]=4 18944 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000209983_100000687798 [1,0,0,1,0,0|2,0,0]=4 18945 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000747585_100000210326 [1,0,0,1,0,0|2,0,0]=4 18946 B13R1.555 CCCCCNC1CCCNC1=O 34a_100000747585_100000718602 [1,0,0,1,0,0|2,0,0]=4 18947 B13R1.555 CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210326 [1,0,0,1,0,0|2,0,0]=4 18948 B13R1.555 CCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000718602 [1,0,0,1,0,0|2,0,0]=4 18949 B13R1.555 CCCCCOC1CCCCC1=O 34a_100000210253_100000754470 [1,0,0,1,0,0|1,0,0]=3 18950 B13R1.555 CCCCCOC1CCCCC1=O 34a_100011214950_100000718602 [1,0,0,1,0,0|1,0,0]=3 18951 B13R1.555 CCCCCOC1CCCCC1=O 7a_100000210253_100000204591 [1,0,0,1,0,0|1,0,0]=3 18952 B13R1.555 CCCCCOC1CCCCC1C 34a_100000211207_100000718602 [1,0,0,1,0,0|1,0,1]=4 18953 B13R1.555 CCCCCOC1CCCCC1C 7a_100000211207_100000210326 [1,0,0,1,0,0|1,0,1]=4 18954 B13R1.555 CCCCCOC1CCCCC1Cl 34a_100000038908_100000718602 [1,0,0,1,0,0|2,0,0]=4 18955 B13R1.555 CCCCCOC1CCCCC1Cl 7a_100000038908_100000210326 [1,0,0,1,0,0|2,0,0]=4 18956 B13R1.555 CCCCCOC1CCCCC1F 34a_100000210253_100015423560 [1,0,0,1,0,0|2,0,0]=4 18957 B13R1.555 CCCCCOC1CCCCC1O 34a_100000210253_100000038908 [1,0,0,1,0,0|1,0,1]=4 18958 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000073722_100000718602 [1,0,0,1,0,0|2,0,0]=4 18959 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000210253_100000687798 [1,0,0,1,0,0|2,0,0]=4 18960 B13R1.555 CCCCCOC1CCCNC1=O 7a_100000210253_100000687798 [1,0,0,1,0,0|2,0,0]=4 18961 B13R1.555 CCCCCOC1COCCC1=O 34a_100000210253_100012180262 [1,0,0,1,0,0|2,0,0]=4 18962 B13R1.555 CCCCCOC1COCCC1=O 7a_100000210253_100012180262 [1,0,0,1,0,0|2,0,0]=4 18963 B13R1.555 CCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000718602 [1,0,0,1,0,0|2,0,0]=4 18964 B13R1.555 CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210326 [1,0,0,1,0,0|2,0,0]=4 18965 B13R1.555 CCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000718602 [1,0,0,1,0,0|2,0,0]=4 18966 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000204591_100000210326 [1,0,0,1,0,0|1,0,0]=3 18967 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000210326_100000204591 [1,0,0,1,0,0|1,0,0]=3 18968 B13R1.555 CCCCCSC1CCCCC1F 62a_100000210326_100015423560 [1,0,0,1,0,0|2,0,0]=4 18969 B13R1.555 CCCCCSC1CCCCC1F 62a_100015423560_100000210326 [1,0,0,1,0,0|2,0,0]=4 18970 B13R1.555 CCCCCSC1CCCCC1O 62a_100000038908_100000210326 [1,0,0,1,0,0|1,0,1]=4 18971 B13R1.555 CCCCCSC1CCCCC1O 62a_100000210326_100000038908 [1,0,0,1,0,0|1,0,1]=4 18972 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000210326_100000687798 [1,0,0,1,0,0|2,0,0]=4 18973 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000687798_100000210326 [1,0,0,1,0,0|2,0,0]=4 18974 B13R1.555 CCCCCSC1COCCC1=O 62a_100000210326_100012180262 [1,0,0,1,0,0|2,0,0]=4 18975 B13R1.555 CCCCCSC1COCCC1=O 62a_100012180262_100000210326 [1,0,0,1,0,0|2,0,0]=4 18976 B13R1.555 CCCCNCC1CCCCC1O 34a_100011216029_100000210210 [1,0,0,1,0,0|1,0,1]=4 18977 B13R1.555 CCCCOCC1CCCCC1=O 34a_100009861125_100000210210 [1,0,0,1,0,0|1,0,0]=3 18978 B13R1.555 CCCCOCC1CCCCC1=O 7a_100009861125_100000210211 [1,0,0,1,0,0|1,0,0]=3 18979 B13R1.555 CCCNCCN1CCCCC1=O 2230a_100160573077_100000210303 [1,0,0,1,0,0|2,0,0]=4 18980 B13R1.555 CCCNCCN1CCCCC1=O 34a_100160573077_100000210303 [1,0,0,1,0,0|2,0,0]=4 18981 B13R1.555 CCOCCNC1CCCCC1=O 34a_102516460346_100000754470 [1,0,0,1,0,0|2,0,0]=4 18982 B13R1.555 CCOCCOC1CCCCC1=O 34a_100000210136_100000754470 [1,0,0,1,0,0|2,0,0]=4 18983 B13R1.555 CCOCCOC1CCCCC1=O 34a_100011214950_100000210147 [1,0,0,1,0,0|2,0,0]=4 18984 B13R1.555 CCOCCOC1CCCCC1=O 7a_100000210136_100000204591 [1,0,0,1,0,0|2,0,0]=4 18985 B13R1.555 CCOCCSC1CCCCC1=O 62a_100000204591_100011215890 [1,0,0,1,0,0|2,0,0]=4 18986 B13R1.555 CCOCCSC1CCCCC1=O 62a_100000210147_100000204591 [1,0,0,1,0,0|2,0,0]=4 18987 B13R1.555 CCSCCOC1CCCCC1=O 34a_100000212035_100000754470 [1,0,0,1,0,0|2,0,0]=4 18988 B13R1.555 CCSCCOC1CCCCC1=O 34a_100011214950_100000757381 [1,0,0,1,0,0|2,0,0]=4 18989 B13R1.555 CCSCCOC1CCCCC1=O 7a_100000212035_100000204591 [1,0,0,1,0,0|2,0,0]=4 18990 B13R1.555 CCSCCSC1CCCCC1=O 62a_100000204591_100000757381 [1,0,0,1,0,0|2,0,0]=4 18991 B13R1.555 CCSCCSC1CCCCC1=O 62a_100000757381_100000204591 [1,0,0,1,0,0|2,0,0]=4 18992 B13R1.555 CN1CCCCC1CCSCC=O 62a_100000211948_200015260668 [1,0,0,1,0,0|2,0,0]=4 18993 B13R1.555 CN1CCCCC1CCSCC=O 62a_200015260668_100000211948 [1,0,0,1,0,0|2,0,0]=4 18994 B13R1.555 CNCCCOC1CCCCC1=O 34a_100000213112_100000754470 [1,0,0,1,0,0|2,0,0]=4 18995 B13R1.555 COCCCNC1CCCCC1=O 34a_100150723488_100000754470 [1,0,0,1,0,0|2,0,0]=4 18996 B13R1.555 COCCCOC1CCCCC1=O 34a_100000740835_100000754470 [1,0,0,1,0,0|2,0,0]=4 18997 B13R1.555 COCCCOC1CCCCC1=O 34a_100011214950_100000740836 [1,0,0,1,0,0|2,0,0]=4 18998 B13R1.555 COCCCSC1CCCCC1=O 62a_100000204591_100000709357 [1,0,0,1,0,0|2,0,0]=4 18999 B13R1.555 COCCCSC1CCCCC1=O 62a_100000709357_100000204591 [1,0,0,1,0,0|2,0,0]=4 19000 B13R1.555 COCCOCC1CCCCC1=O 34a_100009861125_100011201679 [1,0,0,1,0,0|2,0,0]=4 19001 B13R1.555 COCCOCC1CCCCC1=O 7a_100009861125_100000233755 [1,0,0,1,0,0|2,0,0]=4 19002 B13R1.555 CSCCCOC1CCCCC1=O 34a_100000690336_100000754470 [1,0,0,1,0,0|2,0,0]=4 19003 B13R1.555 CSCCCOC1CCCCC1=O 7a_100000690336_100000204591 [1,0,0,1,0,0|2,0,0]=4 19004 B13R1.555 CSCCOCC1CCCCC1=O 34a_100009861125_100000212216 [1,0,0,1,0,0|2,0,0]=4 19005 B13R1.555 CSCCOCC1CCCCC1=O 7a_100009861125_100000212216 [1,0,0,1,0,0|2,0,0]=4 19006 B13R1.555 C[C@H]1COCCN1CCCCC=O 2230a_100009815349_100000139335 [1,0,0,1,0,0|2,0,0]=4 19007 B13R1.555 C[C@H]1COCCN1CCCCC=O 269982a_100009815349_100000139335 [1,0,0,1,0,0|2,0,0]=4 19008 B13R1.555 NCCCCOC1CCCCC1=O 34a_100000750430_100000754470 [1,0,0,1,0,0|2,0,0]=4 19009 B13R1.555 O=C1CCCCC1COCCCF 34a_100009861125_100011934791 [1,0,0,1,0,0|2,0,0]=4 19010 B13R1.555 O=C1CCCCC1COCCCF 7a_100009861125_100011934791 [1,0,0,1,0,0|2,0,0]=4 19011 B13R1.555 O=C1CCCCC1COCCCO 34a_100009861125_100000230001 [1,0,0,1,0,0|2,0,0]=4 19012 B13R1.555 O=C1CCCCC1COCCCO 7a_100009861125_100011215043 [1,0,0,1,0,0|2,0,0]=4 19013 B13R1.555 O=C1CCCCC1NCCCCO 34a_100000750430_100000754470 [1,0,0,1,0,0|2,0,0]=4 19014 B13R1.555 O=C1CCCCC1OCCCCBr 34a_100011216708_100000754470 [1,0,0,1,0,0|2,0,0]=4 19015 B13R1.555 O=C1CCCCC1OCCCCCl 34a_100000210776_100000754470 [1,0,0,1,0,0|2,0,0]=4 19016 B13R1.555 O=C1CCCCC1OCCCCCl 7a_100000210776_100000204591 [1,0,0,1,0,0|2,0,0]=4 19017 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011214950_100000729493 [1,0,0,1,0,0|2,0,0]=4 19018 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011995726_100000754470 [1,0,0,1,0,0|2,0,0]=4 19019 B13R1.555 O=C1CCCCC1OCCCCF 7a_100011995726_100000204591 [1,0,0,1,0,0|2,0,0]=4 19020 B13R1.555 O=C1CCCCC1OCCCCI 34a_200012148704_100000754470 [1,0,0,1,0,0|2,0,0]=4 19021 B13R1.555 O=C1CCCCC1OCCCCO 34a_100011214950_100011216708 [1,0,0,1,0,0|2,0,0]=4 19022 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000204591_100000729493 [1,0,0,1,0,0|2,0,0]=4 19023 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000729493_100000204591 [1,0,0,1,0,0|2,0,0]=4 19024 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000204591_100000210776 [1,0,0,1,0,0|2,0,0]=4 19025 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000210776_100000204591 [1,0,0,1,0,0|2,0,0]=4 19026 B13R1.555 O=CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200011292268 [1,0,0,1,0,0|2,0,0]=4 19027 B13R1.555 O=CCCCOC1CCCCC1Cl 7a_100000038908_200011292268 [1,0,0,1,0,0|2,0,0]=4 19028 B13R1.555 O=CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200011292268 [1,0,0,1,0,0|2,0,0]=4 19029 B13R1.555 O=CCCCSC1CCCCC1F 62a_100015423560_200011292268 [1,0,0,1,0,0|2,0,0]=4 19030 B13R1.555 O=CCCCSC1CCCCC1F 62a_200011292268_100015423560 [1,0,0,1,0,0|2,0,0]=4 19031 B13R1.555 O=CCCCSC1CCCCC1O 62a_100000038908_200011292268 [1,0,0,1,0,0|2,0,0]=4 19032 B13R1.555 O=CCCCSC1CCCCC1O 62a_200011292268_100000038908 [1,0,0,1,0,0|2,0,0]=4 19033 B13R1.559 C=CCCCCCOCC1CC1C 34a_100000744939_100000700193 [1,0,0,1,0,0|1,0,1]=4 19034 B13R1.559 C=CCCCCCOCC1CC1C 7a_100000744939_100000700193 [1,0,0,1,0,0|1,0,1]=4 19035 B13R1.559 CC1CC1COCCCCCC=O 7a_100000744939_100000139337 [1,0,0,1,0,0|1,0,0]=3 19036 B13R1.559 CC1CC1COCCCCCCF 34a_100000744939_100015922095 [1,0,0,1,0,0|2,0,0]=4 19037 B13R1.559 CC1CC1COCCCCCCF 7a_100000744939_100015922095 [1,0,0,1,0,0|2,0,0]=4 19038 B13R1.559 CC1CC1COCCCCCCO 34a_100000744939_100000766143 [1,0,0,1,0,0|1,0,1]=4 19039 B13R1.559 CC1CC1COCCCCCCO 7a_100000744939_100000766143 [1,0,0,1,0,0|1,0,1]=4 19040 B13R1.559 CCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210759 [1,0,0,1,0,0|2,0,0]=4 19041 B13R1.559 CCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210759 [1,0,0,1,0,0|2,0,0]=4 19042 B13R1.559 CCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210759 [1,0,0,1,0,0|2,0,0]=4 19043 B13R1.559 CCCCCCCOCC1CC1C 34a_100000744939_100000210614 [1,0,0,1,0,0|1,0,1]=4 19044 B13R1.559 CCCCCCCOCC1CC1C 7a_100000744939_100000210614 [1,0,0,1,0,0|1,0,1]=4 19045 B13R1.560 BrCCCCCCCOC1CCC1 34a_100000760002_100000749161 [1,0,0,1,0,0|2,0,0]=4 19046 B13R1.560 BrCCCCCCOCC1CCC1 34a_100011215345_100000763275 [1,0,0,1,0,0|2,0,0]=4 19047 B13R1.560 BrCCCCCCOCC1CCC1 7a_100011215345_100000763275 [1,0,0,1,0,0|2,0,0]=4 19048 B13R1.560 C=CCCCCCCCN1CCC1 269982a_100000754969_100012355270 [1,0,0,1,0,0|1,0,1]=4 19049 B13R1.560 C=CCCCCCCNC1CCC1 2230a_100000749019_100011215473 [1,0,0,1,0,0|1,0,1]=4 19050 B13R1.560 C=CCCCCCCNC1CCC1 34a_100000749019_100011215473 [1,0,0,1,0,0|1,0,1]=4 19051 B13R1.560 C=CCCCCCCOC1CCC1 34a_100000748187_100011215473 [1,0,0,1,0,0|1,0,1]=4 19052 B13R1.560 C=CCCCCCCOC1CCC1 34a_200011216477_100000749161 [1,0,0,1,0,0|1,0,1]=4 19053 B13R1.560 C=CCCCCCCSC1CCC1 62a_100011215473_100000749161 [1,0,0,1,0,0|1,0,1]=4 19054 B13R1.560 C=CCCCCCNCC1CCC1 2230a_100000738700_100000700193 [1,0,0,1,0,0|1,0,1]=4 19055 B13R1.560 C=CCCCCCNCC1CCC1 34a_100000738700_100000700193 [1,0,0,1,0,0|1,0,1]=4 19056 B13R1.560 C=CCCCCCOCC1CCC1 34a_100000760304_100000700193 [1,0,0,1,0,0|1,0,1]=4 19057 B13R1.560 C=CCCCCCOCC1CCC1 34a_100011216702_100000763275 [1,0,0,1,0,0|1,0,1]=4 19058 B13R1.560 C=CCCCCCOCC1CCC1 7a_100011216702_100000763275 [1,0,0,1,0,0|1,0,1]=4 19059 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000700193_100000763275 [1,0,0,1,0,0|1,0,1]=4 19060 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000763275_100000700193 [1,0,0,1,0,0|1,0,1]=4 19061 B13R1.560 CCCCCCCCCN1CCC1 269982a_100000754969_100000210670 [1,0,0,1,0,0|1,0,1]=4 19062 B13R1.560 CCCCCCCCNC1CCC1 2230a_100000749019_100000210759 [1,0,0,1,0,0|1,0,1]=4 19063 B13R1.560 CCCCCCCCNC1CCC1 270004a_100000229939_100000241760 [1,0,0,1,0,0|1,0,1]=4 19064 B13R1.560 CCCCCCCCNC1CCC1 34a_100000229939_100000749161 [1,0,0,1,0,0|1,0,1]=4 19065 B13R1.560 CCCCCCCCNC1CCC1 34a_100000749019_100000210759 [1,0,0,1,0,0|1,0,1]=4 19066 B13R1.560 CCCCCCCCOC1CCC1 34a_100000210232_100000749161 [1,0,0,1,0,0|1,0,1]=4 19067 B13R1.560 CCCCCCCCOC1CCC1 34a_100000748187_100000210759 [1,0,0,1,0,0|1,0,1]=4 19068 B13R1.560 CCCCCCCCSC1CCC1 62a_100000210759_100000749161 [1,0,0,1,0,0|1,0,1]=4 19069 B13R1.560 CCCCCCCNCC1CCC1 2230a_100000229938_100000763275 [1,0,0,1,0,0|1,0,1]=4 19070 B13R1.560 CCCCCCCNCC1CCC1 2230a_100000738700_100000210681 [1,0,0,1,0,0|1,0,1]=4 19071 B13R1.560 CCCCCCCNCC1CCC1 269862a_100000229938_100000753134 [1,0,0,1,0,0|1,0,1]=4 19072 B13R1.560 CCCCCCCNCC1CCC1 34a_100000738700_100000210614 [1,0,0,1,0,0|1,0,1]=4 19073 B13R1.560 CCCCCCCNCC1CCO1 2230a_100000229938_100000103362 [1,0,0,1,0,0|1,0,1]=4 19074 B13R1.560 CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210681 [1,0,0,1,0,0|1,0,1]=4 19075 B13R1.560 CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210614 [1,0,0,1,0,0|1,0,1]=4 19076 B13R1.560 CCCCCCCOCC1CCC1 34a_100000210272_100000763275 [1,0,0,1,0,0|1,0,1]=4 19077 B13R1.560 CCCCCCCOCC1CCC1 34a_100000760304_100000210614 [1,0,0,1,0,0|1,0,1]=4 19078 B13R1.560 CCCCCCCOCC1CCC1 7a_100000210272_100000763275 [1,0,0,1,0,0|1,0,1]=4 19079 B13R1.560 CCCCCCCOCC1CCO1 34a_100000039022_100000210614 [1,0,0,1,0,0|1,0,1]=4 19080 B13R1.560 CCCCCCCOCC1CCO1 34a_100000210272_100000103362 [1,0,0,1,0,0|1,0,1]=4 19081 B13R1.560 CCCCCCCOCC1CCO1 7a_100000210272_100000103362 [1,0,0,1,0,0|1,0,1]=4 19082 B13R1.560 CCCCCCCSCC1CCC1 62a_100000210614_100000763275 [1,0,0,1,0,0|1,0,1]=4 19083 B13R1.560 CCCCCCCSCC1CCC1 62a_100000763275_100000210316 [1,0,0,1,0,0|1,0,1]=4 19084 B13R1.560 CCCCCCCSCC1CCO1 62a_100000103362_100000210316 [1,0,0,1,0,0|1,0,1]=4 19085 B13R1.560 CCCCCCCSCC1CCO1 62a_100000210614_100000103362 [1,0,0,1,0,0|1,0,1]=4 19086 B13R1.560 ClCCCCCCOCC1CCC1 34a_100000766143_100000763275 [1,0,0,1,0,0|2,0,0]=4 19087 B13R1.560 ClCCCCCCOCC1CCC1 7a_100000766143_100000763275 [1,0,0,1,0,0|2,0,0]=4 19088 B13R1.560 FCCCCCCNCC1CCC1 2230a_100000738700_100015922095 [1,0,0,1,0,0|2,0,0]=4 19089 B13R1.560 FCCCCCCNCC1CCC1 34a_100000738700_100015922095 [1,0,0,1,0,0|2,0,0]=4 19090 B13R1.560 FCCCCCCOCC1CCC1 34a_100000732779_100000763275 [1,0,0,1,0,0|2,0,0]=4 19091 B13R1.560 FCCCCCCOCC1CCC1 34a_100000760304_100015922095 [1,0,0,1,0,0|2,0,0]=4 19092 B13R1.560 FCCCCCCOCC1CCC1 7a_100000732779_100000763275 [1,0,0,1,0,0|2,0,0]=4 19093 B13R1.560 FCCCCCCSCC1CCC1 62a_100000763275_100015922095 [1,0,0,1,0,0|2,0,0]=4 19094 B13R1.560 FCCCCCCSCC1CCC1 62a_100015922095_100000763275 [1,0,0,1,0,0|2,0,0]=4 19095 B13R1.560 NCCCCCCCOC1CCC1 34a_100011996573_100000749161 [1,0,0,1,0,0|2,0,0]=4 19096 B13R1.560 NCCCCCCOCC1CCC1 34a_100000686447_100000763275 [1,0,0,1,0,0|2,0,0]=4 19097 B13R1.560 O=CCCCCCNCC1CCC1 2230a_100000738700_100000139337 [1,0,0,1,0,0|1,0,0]=3 19098 B13R1.560 O=CCCCCCNCC1COC1 2230a_100015281925_100000139337 [1,0,0,1,0,0|2,0,0]=4 19099 B13R1.560 O=CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139337 [1,0,0,1,0,0|2,0,0]=4 19100 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000139337_100000763275 [1,0,0,1,0,0|1,0,0]=3 19101 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000763275_100000139337 [1,0,0,1,0,0|1,0,0]=3 19102 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000103362_100000139337 [1,0,0,1,0,0|2,0,0]=4 19103 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000139337_100000103362 [1,0,0,1,0,0|2,0,0]=4 19104 B13R1.560 O=CCCCCCSCC1COC1 62a_100000139337_100010264016 [1,0,0,1,0,0|2,0,0]=4 19105 B13R1.560 O=CCCCCCSCC1COC1 62a_100010264016_100000139337 [1,0,0,1,0,0|2,0,0]=4 19106 B13R1.560 OCCCCCCCCN1CCC1 269982a_100000754969_100000033203 [1,0,0,1,0,0|1,0,1]=4 19107 B13R1.560 OCCCCCCCNC1CCC1 2230a_100000749019_100000760002 [1,0,0,1,0,0|1,0,1]=4 19108 B13R1.560 OCCCCCCCNC1CCC1 270004a_100011996573_100000241760 [1,0,0,1,0,0|1,0,1]=4 19109 B13R1.560 OCCCCCCCNC1CCC1 34a_100000749019_100000760002 [1,0,0,1,0,0|1,0,1]=4 19110 B13R1.560 OCCCCCCCNC1CCC1 34a_100011996573_100000749161 [1,0,0,1,0,0|1,0,1]=4 19111 B13R1.560 OCCCCCCCOC1CCC1 34a_100000748187_100000760002 [1,0,0,1,0,0|1,0,1]=4 19112 B13R1.560 OCCCCCCCSC1CCC1 62a_100000760002_100000749161 [1,0,0,1,0,0|1,0,1]=4 19113 B13R1.560 OCCCCCCNCC1CCC1 2230a_100000686447_100000763275 [1,0,0,1,0,0|1,0,1]=4 19114 B13R1.560 OCCCCCCNCC1CCC1 2230a_100000738700_100000766143 [1,0,0,1,0,0|1,0,1]=4 19115 B13R1.560 OCCCCCCNCC1CCC1 269862a_100000686447_100000753134 [1,0,0,1,0,0|1,0,1]=4 19116 B13R1.560 OCCCCCCNCC1CCC1 34a_100000686447_100000763275 [1,0,0,1,0,0|1,0,1]=4 19117 B13R1.560 OCCCCCCNCC1CCC1 34a_100000738700_100000766143 [1,0,0,1,0,0|1,0,1]=4 19118 B13R1.560 OCCCCCCOCC1CCC1 34a_100000760304_100000766143 [1,0,0,1,0,0|1,0,1]=4 19119 B13R1.560 OCCCCCCSCC1CCC1 62a_100000763275_100000766143 [1,0,0,1,0,0|1,0,1]=4 19120 B13R1.560 OCCCCCCSCC1CCC1 62a_100000766143_100000763275 [1,0,0,1,0,0|1,0,1]=4 19121 B13R1.579 C=CCNC1CCCC1CCCC 270004a_100020586998_100000750825 [1,0,0,1,0,0|1,0,1]=4 19122 B13R1.579 CCCCC1CCCC1NCCC 269862a_100020643023_100000750825 [1,0,0,1,0,0|1,0,1]=4 19123 B13R1.579 CCCCC1CCCC1NCCC 270004a_100020643023_100000750825 [1,0,0,1,0,0|1,0,1]=4 19124 B13R1.579 CCCCC1CCCC1NCCF 269862a_100000724931_100000750825 [1,0,0,1,0,0|2,0,0]=4 19125 B13R1.579 CCCCC1CCCC1NCCO 269862a_100000210304_100000750825 [1,0,0,1,0,0|1,0,1]=4 19126 B13R1.579 CCCCC1CCCC1NCCO 270004a_100000210304_100000750825 [1,0,0,1,0,0|1,0,1]=4 19127 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000700193 [1,0,0,1,0,0|1,0,1]=4 19128 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000700193 [1,0,0,1,0,0|1,0,1]=4 19129 B13R1.654 C=CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000700193 [1,0,0,1,0,0|1,0,1]=4 19130 B13R1.654 C=CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000700193 [1,0,0,1,0,0|1,0,1]=4 19131 B13R1.654 C=CCCCCCN1CCC[C@H]1C 34a_100015189458_100000700193 [1,0,0,1,0,0|1,0,1]=4 19132 B13R1.654 C=CCCCCNC1CCCC1C 269862a_100000703577_100000752053 [1,0,0,1,0,0|1,0,1]=4 19133 B13R1.654 C=CCCCCOC1CCCC1C 34a_100011216460_100011215482 [1,0,0,1,0,0|1,0,1]=4 19134 B13R1.654 C=CCCCCOC1CCCC1C 7a_100011216460_100011215482 [1,0,0,1,0,0|1,0,1]=4 19135 B13R1.654 CC1CCCC1NCCCCCO 269862a_100000762737_100000752053 [1,0,0,1,0,0|1,0,1]=4 19136 B13R1.654 CC1CCCC1OCCCCC=O 7a_100011216460_100000139335 [1,0,0,1,0,0|1,0,0]=3 19137 B13R1.654 CC1CCCC1OCCCCCF 34a_100011216460_100000729378 [1,0,0,1,0,0|2,0,0]=4 19138 B13R1.654 CC1CCCC1OCCCCCF 7a_100011216460_100000729378 [1,0,0,1,0,0|2,0,0]=4 19139 B13R1.654 CC1CCCC1OCCCCCO 34a_100011216460_100000746330 [1,0,0,1,0,0|1,0,1]=4 19140 B13R1.654 CC1CCCC1OCCCCCO 7a_100011216460_100000746330 [1,0,0,1,0,0|1,0,1]=4 19141 B13R1.654 CC1SCCN1CCCCCC=O 2230a_200011216479_100000139337 [1,0,0,1,0,0|2,0,0]=4 19142 B13R1.654 CC1SCCN1CCCCCC=O 269982a_200011216479_100000139337 [1,0,0,1,0,0|2,0,0]=4 19143 B13R1.654 CCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210681 [1,0,0,1,0,0|1,0,1]=4 19144 B13R1.654 CCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210681 [1,0,0,1,0,0|1,0,1]=4 19145 B13R1.654 CCCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210681 [1,0,0,1,0,0|1,0,1]=4 19146 B13R1.654 CCCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210681 [1,0,0,1,0,0|1,0,1]=4 19147 B13R1.654 CCCCCCCN1CCC[C@H]1C 34a_100015189458_100000210614 [1,0,0,1,0,0|1,0,1]=4 19148 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [1,0,0,1,0,0|1,0,0]=3 19149 B13R1.654 CCCCCCNC1CCCC1C 269862a_100000210581_100000752053 [1,0,0,1,0,0|1,0,1]=4 19150 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [1,0,0,1,0,0|2,0,0]=4 19151 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [1,0,0,1,0,0|2,0,0]=4 19152 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [1,0,0,1,0,0|2,0,0]=4 19153 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [1,0,0,1,0,0|1,0,0]=3 19154 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [1,0,0,1,0,0|1,0,0]=3 19155 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [1,0,0,1,0,0|1,0,0]=3 19156 B13R1.654 CCCCCCOC1CCCC1C 34a_100011216460_100000210314 [1,0,0,1,0,0|1,0,1]=4 19157 B13R1.654 CCCCCCOC1CCCC1C 7a_100011216460_100000210314 [1,0,0,1,0,0|1,0,1]=4 19158 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [1,0,0,1,0,0|2,0,0]=4 19159 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [1,0,0,1,0,0|2,0,0]=4 19160 B13R1.654 CCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210314 [1,0,0,1,0,0|2,0,0]=4 19161 B13R1.654 CCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210314 [1,0,0,1,0,0|2,0,0]=4 19162 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [1,0,0,1,0,0|2,0,0]=4 19163 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [1,0,0,1,0,0|1,0,0]=3 19164 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [1,0,0,1,0,0|1,0,0]=3 19165 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [1,0,0,1,0,0|2,0,0]=4 19166 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [1,0,0,1,0,0|2,0,0]=4 19167 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000210314_200016002552 [1,0,0,1,0,0|1,0,1]=4 19168 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210757 [1,0,0,1,0,0|1,0,1]=4 19169 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [1,0,0,1,0,0|2,0,0]=4 19170 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000026320_100000210326 [1,0,0,1,0,0|2,0,0]=4 19171 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000210326_100000026320 [1,0,0,1,0,0|2,0,0]=4 19172 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100000102301_100000739059 [1,0,0,1,0,0|2,0,0]=4 19173 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100011200922_100000210211 [1,0,0,1,0,0|2,0,0]=4 19174 B13R1.654 CCCCNCCN1CCCC1=O 7a_106832991798_100000739059 [1,0,0,1,0,0|2,0,0]=4 19175 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000210227_100000739059 [1,0,0,1,0,0|2,0,0]=4 19176 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000211209_100000210210 [1,0,0,1,0,0|2,0,0]=4 19177 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000210227_100000739059 [1,0,0,1,0,0|2,0,0]=4 19178 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000211209_100000210211 [1,0,0,1,0,0|2,0,0]=4 19179 B13R1.654 CCCCOCOC1CCCC1=O 34a_200000719330_100011995733 [1,0,0,1,0,0|2,0,0]=4 19180 B13R1.654 CCCCOCSC1CCCC1=O 62a_100000211823_100011995733 [1,0,0,1,0,0|2,0,0]=4 19181 B13R1.654 CCCCOCSC1CCCC1=O 62a_100011995733_100000211823 [1,0,0,1,0,0|2,0,0]=4 19182 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000210211_100000739059 [1,0,0,1,0,0|2,0,0]=4 19183 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000739059_100000210210 [1,0,0,1,0,0|2,0,0]=4 19184 B13R1.654 CCCNCCCN1CCCC1=O 2230a_100000210347_100000210303 [1,0,0,1,0,0|2,0,0]=4 19185 B13R1.654 CCCNCCCN1CCCC1=O 34a_100000210347_100000210303 [1,0,0,1,0,0|2,0,0]=4 19186 B13R1.654 CCCOCCCN1CCCC1=O 34a_100011216539_100000210303 [1,0,0,1,0,0|2,0,0]=4 19187 B13R1.654 CCCOCCCN1CCCC1=O 7a_100011216539_100000210303 [1,0,0,1,0,0|2,0,0]=4 19188 B13R1.654 CCCOCCNC1CCCC1=O 2230a_100161115042_100000211823 [1,0,0,1,0,0|2,0,0]=4 19189 B13R1.654 CCCOCCNC1CCCC1=O 34a_100161115042_100000709159 [1,0,0,1,0,0|2,0,0]=4 19190 B13R1.654 CCCOCCOC1CCCC1=O 34a_100000752267_100000709159 [1,0,0,1,0,0|2,0,0]=4 19191 B13R1.654 CCCOCCOC1CCCC1=O 34a_200000719330_100011215938 [1,0,0,1,0,0|2,0,0]=4 19192 B13R1.654 CCCOCCOC1CCCC1=O 7a_100000752267_100000211823 [1,0,0,1,0,0|2,0,0]=4 19193 B13R1.654 CCCOCCSC1CCCC1=O 62a_100000211823_100011215938 [1,0,0,1,0,0|2,0,0]=4 19194 B13R1.654 CCCOCCSC1CCCC1=O 62a_100011215938_100000211823 [1,0,0,1,0,0|2,0,0]=4 19195 B13R1.654 CCCSCCNC1CCCC1=O 2230a_100020603323_100000211823 [1,0,0,1,0,0|2,0,0]=4 19196 B13R1.654 CCCSCCOC1CCCC1=O 34a_200000230433_100000709159 [1,0,0,1,0,0|2,0,0]=4 19197 B13R1.654 CCCSCCOC1CCCC1=O 7a_200000230433_100000211823 [1,0,0,1,0,0|2,0,0]=4 19198 B13R1.654 CCOCCCNC1CCCC1=O 2230a_100000210961_100000211823 [1,0,0,1,0,0|2,0,0]=4 19199 B13R1.654 CCOCCCNC1CCCC1=O 34a_100000210961_100000709159 [1,0,0,1,0,0|2,0,0]=4 19200 B13R1.654 CCOCCCOC1CCCC1=O 34a_100000757476_100000709159 [1,0,0,1,0,0|2,0,0]=4 19201 B13R1.654 CCOCCCOC1CCCC1=O 34a_200000719330_100012232248 [1,0,0,1,0,0|2,0,0]=4 19202 B13R1.654 CCOCCCOC1CCCC1=O 7a_100000757476_100000211823 [1,0,0,1,0,0|2,0,0]=4 19203 B13R1.654 CCOCCCSC1CCCC1=O 62a_100000211823_100012232248 [1,0,0,1,0,0|2,0,0]=4 19204 B13R1.654 CCOCCCSC1CCCC1=O 62a_100012232248_100000211823 [1,0,0,1,0,0|2,0,0]=4 19205 B13R1.654 CCSCCCOC1CCCC1=O 34a_100011216438_100000709159 [1,0,0,1,0,0|2,0,0]=4 19206 B13R1.654 CCSCCCOC1CCCC1=O 7a_100011216438_100000211823 [1,0,0,1,0,0|2,0,0]=4 19207 B13R1.654 COCCCCOC1CCCC1=O 34a_100000740925_100000709159 [1,0,0,1,0,0|2,0,0]=4 19208 B13R1.654 COCCCCOC1CCCC1=O 34a_200000719330_100000755781 [1,0,0,1,0,0|2,0,0]=4 19209 B13R1.654 COCCCCSC1CCCC1=O 62a_100000211823_100000730899 [1,0,0,1,0,0|2,0,0]=4 19210 B13R1.654 COCCCCSC1CCCC1=O 62a_100000730899_100000211823 [1,0,0,1,0,0|2,0,0]=4 19211 B13R1.654 CSCCCCOC1CCCC1=O 34a_100011217163_100000709159 [1,0,0,1,0,0|2,0,0]=4 19212 B13R1.654 CSCCCCOC1CCCC1=O 7a_100011217163_100000211823 [1,0,0,1,0,0|2,0,0]=4 19213 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 2230a_100015189458_100000139337 [1,0,0,1,0,0|1,0,0]=3 19214 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 269982a_100015189458_100000139337 [1,0,0,1,0,0|1,0,0]=3 19215 B13R1.654 C[C@@H]1CCCN1CCCCCCF 2230a_100015189458_100015922095 [1,0,0,1,0,0|2,0,0]=4 19216 B13R1.654 C[C@@H]1CCCN1CCCCCCF 269982a_100015189458_100015922095 [1,0,0,1,0,0|2,0,0]=4 19217 B13R1.654 C[C@@H]1CCCN1CCCCCCF 34a_100015189458_100015922095 [1,0,0,1,0,0|2,0,0]=4 19218 B13R1.654 C[C@@H]1CCCN1CCCCCCO 2230a_100015189458_100000766143 [1,0,0,1,0,0|1,0,1]=4 19219 B13R1.654 C[C@@H]1CCCN1CCCCCCO 269982a_100015189458_100000766143 [1,0,0,1,0,0|1,0,1]=4 19220 B13R1.654 C[C@@H]1CCCN1CCCCCCO 34a_100015189458_100000766143 [1,0,0,1,0,0|1,0,1]=4 19221 B13R1.654 C[C@H]1CCCN1CCCCCC=O 2230a_100020605311_100000139337 [1,0,0,1,0,0|1,0,0]=3 19222 B13R1.654 C[C@H]1CCCN1CCCCCC=O 269982a_100020605311_100000139337 [1,0,0,1,0,0|1,0,0]=3 19223 B13R1.654 C[C@H]1CCCN1CCCCCCF 2230a_100020605311_100015922095 [1,0,0,1,0,0|2,0,0]=4 19224 B13R1.654 C[C@H]1CCCN1CCCCCCF 269982a_100020605311_100015922095 [1,0,0,1,0,0|2,0,0]=4 19225 B13R1.654 C[C@H]1CCCN1CCCCCCO 2230a_100020605311_100000766143 [1,0,0,1,0,0|1,0,1]=4 19226 B13R1.654 C[C@H]1CCCN1CCCCCCO 269982a_100020605311_100000766143 [1,0,0,1,0,0|1,0,1]=4 19227 B13R1.654 NCCCCCOC1CCCC1=O 34a_100000762737_100000709159 [1,0,0,1,0,0|2,0,0]=4 19228 B13R1.654 O=C1CCCC1NCCCCCO 2230a_100000762737_100000211823 [1,0,0,1,0,0|2,0,0]=4 19229 B13R1.654 O=C1CCCC1NCCCCCO 34a_100000762737_100000709159 [1,0,0,1,0,0|2,0,0]=4 19230 B13R1.654 O=C1CCCC1OCCCCCBr 34a_100000746331_100000709159 [1,0,0,1,0,0|2,0,0]=4 19231 B13R1.654 O=C1CCCC1OCCCCCBr 7a_100000746331_100000211823 [1,0,0,1,0,0|2,0,0]=4 19232 B13R1.654 O=C1CCCC1OCCCCCCl 34a_100000746330_100000709159 [1,0,0,1,0,0|2,0,0]=4 19233 B13R1.654 O=C1CCCC1OCCCCCCl 7a_100000746330_100000211823 [1,0,0,1,0,0|2,0,0]=4 19234 B13R1.654 O=C1CCCC1OCCCCCF 34a_200000719330_100000729378 [1,0,0,1,0,0|2,0,0]=4 19235 B13R1.654 O=C1CCCC1OCCCCCI 34a_200012148887_100000709159 [1,0,0,1,0,0|2,0,0]=4 19236 B13R1.654 O=C1CCCC1OCCCCCI 7a_200012148887_100000211823 [1,0,0,1,0,0|2,0,0]=4 19237 B13R1.654 O=C1CCCC1OCCCCCO 34a_200000719330_100000746330 [1,0,0,1,0,0|2,0,0]=4 19238 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000211823_100000729378 [1,0,0,1,0,0|2,0,0]=4 19239 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000729378_100000211823 [1,0,0,1,0,0|2,0,0]=4 19240 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000211823_100000746330 [1,0,0,1,0,0|2,0,0]=4 19241 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000746330_100000211823 [1,0,0,1,0,0|2,0,0]=4 19242 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_100000139335_200016002552 [1,0,0,1,0,0|2,0,0]=4 19243 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139335 [1,0,0,1,0,0|2,0,0]=4 19244 B13R1.659 BrCCCCCCCCOC1CC1 34a_100009813846_100000211595 [1,0,0,1,0,0|2,0,0]=4 19245 B13R1.659 BrCCCCCCCOCC1CC1 34a_100000760002_100000742324 [1,0,0,1,0,0|2,0,0]=4 19246 B13R1.659 BrCCCCCCCOCC1CC1 7a_100000760002_100000742324 [1,0,0,1,0,0|2,0,0]=4 19247 B13R1.659 BrCCCCCCOCCC1CC1 34a_100011215345_100000694398 [1,0,0,1,0,0|2,0,0]=4 19248 B13R1.659 BrCCCCCCOCCC1CC1 7a_100011215345_100000764125 [1,0,0,1,0,0|2,0,0]=4 19249 B13R1.659 C=CCCCCCCCNC1CC1 34a_100000212008_100012355270 [1,0,0,1,0,0|1,0,1]=4 19250 B13R1.659 C=CCCCCCCCOC1CC1 34a_100000730831_100000211595 [1,0,0,1,0,0|1,0,1]=4 19251 B13R1.659 C=CCCCCCCCSC1CC1 62a_100012355270_100000211595 [1,0,0,1,0,0|1,0,1]=4 19252 B13R1.659 C=CCCCCCCNCC1CC1 2230a_100000735609_100011215473 [1,0,0,1,0,0|1,0,1]=4 19253 B13R1.659 C=CCCCCCCNCC1CC1 34a_100000735609_100011215473 [1,0,0,1,0,0|1,0,1]=4 19254 B13R1.659 C=CCCCCCCOCC1CC1 34a_100000211283_100011215473 [1,0,0,1,0,0|1,0,1]=4 19255 B13R1.659 C=CCCCCCCOCC1CC1 34a_200011216477_100000742324 [1,0,0,1,0,0|1,0,1]=4 19256 B13R1.659 C=CCCCCCCOCC1CC1 7a_200011216477_100000742324 [1,0,0,1,0,0|1,0,1]=4 19257 B13R1.659 C=CCCCCCCSCC1CC1 62a_100000756562_100011215473 [1,0,0,1,0,0|1,0,1]=4 19258 B13R1.659 C=CCCCCCCSCC1CC1 62a_100011215473_100000742324 [1,0,0,1,0,0|1,0,1]=4 19259 B13R1.659 C=CCCCCCNCCC1CC1 34a_100000764129_100000700193 [1,0,0,1,0,0|1,0,1]=4 19260 B13R1.659 C=CCCCCCOCCC1CC1 34a_100000754188_100000700193 [1,0,0,1,0,0|1,0,1]=4 19261 B13R1.659 C=CCCCCCOCCC1CC1 34a_100011216702_100000694398 [1,0,0,1,0,0|1,0,1]=4 19262 B13R1.659 C=CCCCCCOCCC1CC1 7a_100000754188_100000700193 [1,0,0,1,0,0|1,0,1]=4 19263 B13R1.659 C=CCCCCCOCCC1CC1 7a_100011216702_100000764125 [1,0,0,1,0,0|1,0,1]=4 19264 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000700193_100000764125 [1,0,0,1,0,0|1,0,1]=4 19265 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000764125_100000700193 [1,0,0,1,0,0|1,0,1]=4 19266 B13R1.659 CCCCCCCCCNC1CC1 34a_100000212008_100011214924 [1,0,0,1,0,0|1,0,1]=4 19267 B13R1.659 CCCCCCCCCNC1CC1 34a_100000212291_100000211595 [1,0,0,1,0,0|1,0,1]=4 19268 B13R1.659 CCCCCCCCCOC1CC1 34a_100000210712_100000211595 [1,0,0,1,0,0|1,0,1]=4 19269 B13R1.659 CCCCCCCCNCC1CC1 2230a_100000229939_100000742324 [1,0,0,1,0,0|1,0,1]=4 19270 B13R1.659 CCCCCCCCNCC1CC1 2230a_100000735609_100000210759 [1,0,0,1,0,0|1,0,1]=4 19271 B13R1.659 CCCCCCCCNCC1CC1 269862a_100000229939_100000741477 [1,0,0,1,0,0|1,0,1]=4 19272 B13R1.659 CCCCCCCCNCC1CC1 34a_100000229939_100000742324 [1,0,0,1,0,0|1,0,1]=4 19273 B13R1.659 CCCCCCCCNCC1CC1 34a_100000735609_100000210759 [1,0,0,1,0,0|1,0,1]=4 19274 B13R1.659 CCCCCCCCNCC1CO1 2230a_100000229939_100011216344 [1,0,0,1,0,0|1,0,1]=4 19275 B13R1.659 CCCCCCCCNCC1CO1 34a_100000229939_102125554688 [1,0,0,1,0,0|1,0,1]=4 19276 B13R1.659 CCCCCCCCOCC1CC1 34a_100000210232_100000742324 [1,0,0,1,0,0|1,0,1]=4 19277 B13R1.659 CCCCCCCCOCC1CC1 34a_100000211283_100000210759 [1,0,0,1,0,0|1,0,1]=4 19278 B13R1.659 CCCCCCCCOCC1CC1 7a_100000210232_100000742324 [1,0,0,1,0,0|1,0,1]=4 19279 B13R1.659 CCCCCCCCOCC1CO1 34a_100000210232_102125554688 [1,0,0,1,0,0|1,0,1]=4 19280 B13R1.659 CCCCCCCCOCC1CO1 7a_100000210232_102125554688 [1,0,0,1,0,0|1,0,1]=4 19281 B13R1.659 CCCCCCCCOCC1CS1 7a_100000210232_100000031435 [1,0,0,1,0,0|1,1,0]=4 19282 B13R1.659 CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210759 [1,0,0,1,0,0|1,0,1]=4 19283 B13R1.659 CCCCCCCCOC[C@@H]1CO1 7a_100000210232_100000745022 [1,0,0,1,0,0|1,0,1]=4 19284 B13R1.659 CCCCCCCCSCC1CC1 62a_100000210759_100000742324 [1,0,0,1,0,0|1,0,1]=4 19285 B13R1.659 CCCCCCCCSCC1CC1 62a_100000756562_100000210317 [1,0,0,1,0,0|1,0,1]=4 19286 B13R1.659 CCCCCCCCSCC1CO1 62a_100000210759_102125554688 [1,0,0,1,0,0|1,0,1]=4 19287 B13R1.659 CCCCCCCCSCC1CO1 62a_102125554688_100000210317 [1,0,0,1,0,0|1,0,1]=4 19288 B13R1.659 CCCCCCCCSCC1CS1 62a_100000031435_100000210317 [1,0,0,1,0,0|1,1,0]=4 19289 B13R1.659 CCCCCCCCSCC1CS1 62a_100000210759_100000031435 [1,0,0,1,0,0|1,1,0]=4 19290 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000210759_100000745022 [1,0,0,1,0,0|1,0,1]=4 19291 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210317 [1,0,0,1,0,0|1,0,1]=4 19292 B13R1.659 CCCCCCCNCCC1CC1 2230a_100000229938_100000694398 [1,0,0,1,0,0|1,0,1]=4 19293 B13R1.659 CCCCCCCNCCC1CC1 34a_100000764129_100000210614 [1,0,0,1,0,0|1,0,1]=4 19294 B13R1.659 CCCCCCCNCCC1CO1 2230a_100000229938_100000732470 [1,0,0,1,0,0|1,0,1]=4 19295 B13R1.659 CCCCCCCOCCC1CC1 34a_100000210272_100000694398 [1,0,0,1,0,0|1,0,1]=4 19296 B13R1.659 CCCCCCCOCCC1CC1 34a_100000754188_100000210614 [1,0,0,1,0,0|1,0,1]=4 19297 B13R1.659 CCCCCCCOCCC1CC1 7a_100000210272_100000764125 [1,0,0,1,0,0|1,0,1]=4 19298 B13R1.659 CCCCCCCOCCC1CC1 7a_100000754188_100000210614 [1,0,0,1,0,0|1,0,1]=4 19299 B13R1.659 CCCCCCCOCCC1CO1 34a_100000210272_100000732470 [1,0,0,1,0,0|1,0,1]=4 19300 B13R1.659 CCCCCCCOCCC1CO1 7a_100000210272_100000732470 [1,0,0,1,0,0|1,0,1]=4 19301 B13R1.659 CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210614 [1,0,0,1,0,0|1,0,1]=4 19302 B13R1.659 CCCCCCCSCCC1CC1 62a_100000210614_100000764125 [1,0,0,1,0,0|1,0,1]=4 19303 B13R1.659 CCCCCCCSCCC1CC1 62a_100000764125_100000210316 [1,0,0,1,0,0|1,0,1]=4 19304 B13R1.659 CCCCCCCSCCC1CO1 62a_100000210614_100000732470 [1,0,0,1,0,0|1,0,1]=4 19305 B13R1.659 CCCCCCCSCCC1CO1 62a_100000732470_100000210316 [1,0,0,1,0,0|1,0,1]=4 19306 B13R1.659 CCCCCCNCCCC1CO1 2230a_100000210581_100000733510 [1,0,0,1,0,0|1,0,1]=4 19307 B13R1.659 CCCCCCOCCCC1CO1 34a_100000210259_100000733510 [1,0,0,1,0,0|1,0,1]=4 19308 B13R1.659 CCCCCCOCCCC1CO1 7a_100000210259_100000733510 [1,0,0,1,0,0|1,0,1]=4 19309 B13R1.659 CCCCCCSCCCC1CO1 62a_100000210314_100000733510 [1,0,0,1,0,0|1,0,1]=4 19310 B13R1.659 CCCCCCSCCCC1CO1 62a_100000733510_100000210757 [1,0,0,1,0,0|1,0,1]=4 19311 B13R1.659 ClCCCCCCCCOC1CC1 34a_100000033203_100000211595 [1,0,0,1,0,0|2,0,0]=4 19312 B13R1.659 ClCCCCCCOCCC1CC1 34a_100000766143_100000694398 [1,0,0,1,0,0|2,0,0]=4 19313 B13R1.659 ClCCCCCCOCCC1CC1 7a_100000766143_100000764125 [1,0,0,1,0,0|2,0,0]=4 19314 B13R1.659 FCCCCCCNCCC1CC1 34a_100000764129_100015922095 [1,0,0,1,0,0|2,0,0]=4 19315 B13R1.659 FCCCCCCOCCC1CC1 34a_100000732779_100000694398 [1,0,0,1,0,0|2,0,0]=4 19316 B13R1.659 FCCCCCCOCCC1CC1 34a_100000754188_100015922095 [1,0,0,1,0,0|2,0,0]=4 19317 B13R1.659 FCCCCCCOCCC1CC1 7a_100000732779_100000764125 [1,0,0,1,0,0|2,0,0]=4 19318 B13R1.659 FCCCCCCOCCC1CC1 7a_100000754188_100015922095 [1,0,0,1,0,0|2,0,0]=4 19319 B13R1.659 FCCCCCCSCCC1CC1 62a_100000764125_100015922095 [1,0,0,1,0,0|2,0,0]=4 19320 B13R1.659 FCCCCCCSCCC1CC1 62a_100015922095_100000764125 [1,0,0,1,0,0|2,0,0]=4 19321 B13R1.659 NCCCCCCCCOC1CC1 34a_102515433106_100000211595 [1,0,0,1,0,0|2,0,0]=4 19322 B13R1.659 NCCCCCCCOCC1CC1 34a_100011996573_100000742324 [1,0,0,1,0,0|2,0,0]=4 19323 B13R1.659 NCCCCCCOCCC1CC1 34a_100000686447_100000694398 [1,0,0,1,0,0|2,0,0]=4 19324 B13R1.659 O=CCCCCCOCCC1CC1 7a_100000754188_100000139337 [1,0,0,1,0,0|1,0,0]=3 19325 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000139337_100000764125 [1,0,0,1,0,0|1,0,0]=3 19326 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000764125_100000139337 [1,0,0,1,0,0|1,0,0]=3 19327 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000139337_100000732470 [1,0,0,1,0,0|2,0,0]=4 19328 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000732470_100000139337 [1,0,0,1,0,0|2,0,0]=4 19329 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000139335_100000733510 [1,0,0,1,0,0|2,0,0]=4 19330 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000733510_100000139335 [1,0,0,1,0,0|2,0,0]=4 19331 B13R1.659 OCCCCCCCCNC1CC1 34a_100000212008_100000033203 [1,0,0,1,0,0|1,0,1]=4 19332 B13R1.659 OCCCCCCCCNC1CC1 34a_102515433106_100000211595 [1,0,0,1,0,0|1,0,1]=4 19333 B13R1.659 OCCCCCCCCSC1CC1 62a_100000033203_100000211595 [1,0,0,1,0,0|1,0,1]=4 19334 B13R1.659 OCCCCCCCNCC1CC1 2230a_100000735609_100000760002 [1,0,0,1,0,0|1,0,1]=4 19335 B13R1.659 OCCCCCCCNCC1CC1 2230a_100011996573_100000742324 [1,0,0,1,0,0|1,0,1]=4 19336 B13R1.659 OCCCCCCCNCC1CC1 269862a_100011996573_100000741477 [1,0,0,1,0,0|1,0,1]=4 19337 B13R1.659 OCCCCCCCNCC1CC1 34a_100000735609_100000760002 [1,0,0,1,0,0|1,0,1]=4 19338 B13R1.659 OCCCCCCCNCC1CC1 34a_100011996573_100000742324 [1,0,0,1,0,0|1,0,1]=4 19339 B13R1.659 OCCCCCCCOCC1CC1 34a_100000211283_100000760002 [1,0,0,1,0,0|1,0,1]=4 19340 B13R1.659 OCCCCCCCSCC1CC1 62a_100000756562_100000760002 [1,0,0,1,0,0|1,0,1]=4 19341 B13R1.659 OCCCCCCCSCC1CC1 62a_100000760002_100000742324 [1,0,0,1,0,0|1,0,1]=4 19342 B13R1.659 OCCCCCCNCCC1CC1 2230a_100000686447_100000694398 [1,0,0,1,0,0|1,0,1]=4 19343 B13R1.659 OCCCCCCNCCC1CC1 34a_100000686447_100000694398 [1,0,0,1,0,0|1,0,1]=4 19344 B13R1.659 OCCCCCCNCCC1CC1 34a_100000764129_100000766143 [1,0,0,1,0,0|1,0,1]=4 19345 B13R1.659 OCCCCCCOCCC1CC1 34a_100000754188_100000766143 [1,0,0,1,0,0|1,0,1]=4 19346 B13R1.659 OCCCCCCOCCC1CC1 7a_100000754188_100000766143 [1,0,0,1,0,0|1,0,1]=4 19347 B13R1.659 OCCCCCCSCCC1CC1 62a_100000764125_100000766143 [1,0,0,1,0,0|1,0,1]=4 19348 B13R1.659 OCCCCCCSCCC1CC1 62a_100000766143_100000764125 [1,0,0,1,0,0|1,0,1]=4 19349 B13R1.667 C=CCCCCCCN1CCC1C 269982a_100000755817_100011215473 [1,0,0,1,0,0|1,0,1]=4 19350 B13R1.667 C=CCCCCCCN1CCC1C 34a_100000755817_100011215473 [1,0,0,1,0,0|1,0,1]=4 19351 B13R1.667 CC1CCN1CCCCCCCO 269982a_100000755817_100000760002 [1,0,0,1,0,0|1,0,1]=4 19352 B13R1.667 CC1CCN1CCCCCCCO 34a_100000755817_100000760002 [1,0,0,1,0,0|1,0,1]=4 19353 B13R1.667 CCCCCCCCN1CCC1C 269982a_100000755817_100000210759 [1,0,0,1,0,0|1,0,1]=4 19354 B13R1.667 CCCCCCCCN1CCC1C 34a_100000755817_100000210759 [1,0,0,1,0,0|1,0,1]=4 19355 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [1,0,0,1,0,0|1,0,0]=3 19356 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [1,0,0,1,0,0|1,0,0]=3 19357 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [1,0,0,1,0,0|1,0,0]=3 19358 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [1,0,0,1,0,0|1,0,0]=3 19359 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [1,0,0,1,0,0|1,0,0]=3 19360 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [1,0,0,1,0,0|1,0,0]=3 19361 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [1,0,0,1,0,0|1,0,0]=3 19362 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [1,0,0,1,0,0|1,0,0]=3 19363 B13R1.667 CCCCOCCOC1CCC1=O 34a_100000210238_100009892977 [1,0,0,1,0,0|2,0,0]=4 19364 B13R1.667 CCCCOCCOC1CCC1=O 7a_100000210238_100009892977 [1,0,0,1,0,0|2,0,0]=4 19365 B13R1.667 CCCCOCCSC1CCC1=O 62a_100000743108_100009892977 [1,0,0,1,0,0|2,0,0]=4 19366 B13R1.667 CCCCOCCSC1CCC1=O 62a_100009892977_100000743108 [1,0,0,1,0,0|2,0,0]=4 19367 B13R1.667 CCCCSCCOC1CCC1=O 34a_200000230436_100009892977 [1,0,0,1,0,0|2,0,0]=4 19368 B13R1.667 CCCCSCCOC1CCC1=O 7a_200000230436_100009892977 [1,0,0,1,0,0|2,0,0]=4 19369 B13R1.667 CCCOCCCNC1CCC1=O 34a_100011217757_100009892977 [1,0,0,1,0,0|2,0,0]=4 19370 B13R1.667 CCOCCNCCC1CCC1=O 2230a_102516460346_200016118888 [1,0,0,1,0,0|2,0,0]=4 19371 B13R1.667 CCOCCOCCC1CCC1=O 7a_100000210136_200016118888 [1,0,0,1,0,0|2,0,0]=4 19372 B13R1.667 CCOCCSCCC1CCC1=O 62a_100000210147_200016118888 [1,0,0,1,0,0|2,0,0]=4 19373 B13R1.667 CCOCCSCCC1CCC1=O 62a_200016118888_100011215890 [1,0,0,1,0,0|2,0,0]=4 19374 B13R1.667 CCSCCNCCC1CCC1=O 2230a_100000106463_200016118888 [1,0,0,1,0,0|2,0,0]=4 19375 B13R1.667 CCSCCOCCC1CCC1=O 7a_100000212035_200016118888 [1,0,0,1,0,0|2,0,0]=4 19376 B13R1.667 CCSCCSCCC1CCC1=O 62a_100000757381_200016118888 [1,0,0,1,0,0|2,0,0]=4 19377 B13R1.667 CCSCCSCCC1CCC1=O 62a_200016118888_100000757381 [1,0,0,1,0,0|2,0,0]=4 19378 B13R1.667 CNCCCCCOC1CCC1=O 34a_100000722520_100009892977 [1,0,0,1,0,0|2,0,0]=4 19379 B13R1.667 COCCCCCNC1CCC1=O 34a_100000747528_100009892977 [1,0,0,1,0,0|2,0,0]=4 19380 B13R1.667 COCCCSCCC1CCC1=O 62a_100000709357_200016118888 [1,0,0,1,0,0|2,0,0]=4 19381 B13R1.667 COCCCSCCC1CCC1=O 62a_200016118888_100000709357 [1,0,0,1,0,0|2,0,0]=4 19382 B13R1.667 CSCCCNCCC1CCC1=O 2230a_100000749238_200016118888 [1,0,0,1,0,0|2,0,0]=4 19383 B13R1.667 CSCCCOCCC1CCC1=O 7a_100000690336_200016118888 [1,0,0,1,0,0|2,0,0]=4 19384 B13R1.667 NCCCCCCOC1CCC1=O 34a_100000686447_100009892977 [1,0,0,1,0,0|2,0,0]=4 19385 B13R1.667 O=C1CCC1CCNCCCCO 2230a_100000750430_200016118888 [1,0,0,1,0,0|2,0,0]=4 19386 B13R1.667 O=C1CCC1CCOCCCCCl 7a_100000210776_200016118888 [1,0,0,1,0,0|2,0,0]=4 19387 B13R1.667 O=C1CCC1CCOCCCCF 7a_100011995726_200016118888 [1,0,0,1,0,0|2,0,0]=4 19388 B13R1.667 O=C1CCC1CCSCCCCF 62a_100000729493_200016118888 [1,0,0,1,0,0|2,0,0]=4 19389 B13R1.667 O=C1CCC1CCSCCCCF 62a_200016118888_100000729493 [1,0,0,1,0,0|2,0,0]=4 19390 B13R1.667 O=C1CCC1CCSCCCCO 62a_100000210776_200016118888 [1,0,0,1,0,0|2,0,0]=4 19391 B13R1.667 O=C1CCC1CCSCCCCO 62a_200016118888_100000210776 [1,0,0,1,0,0|2,0,0]=4 19392 B13R1.667 O=C1CCC1NCCCCCCO 34a_100000686447_100009892977 [1,0,0,1,0,0|2,0,0]=4 19393 B13R1.667 O=C1CCC1OCCCCCCBr 34a_100011215345_100009892977 [1,0,0,1,0,0|2,0,0]=4 19394 B13R1.667 O=C1CCC1OCCCCCCBr 7a_100011215345_100009892977 [1,0,0,1,0,0|2,0,0]=4 19395 B13R1.667 O=C1CCC1OCCCCCCCl 34a_100000766143_100009892977 [1,0,0,1,0,0|2,0,0]=4 19396 B13R1.667 O=C1CCC1OCCCCCCCl 7a_100000766143_100009892977 [1,0,0,1,0,0|2,0,0]=4 19397 B13R1.667 O=C1CCC1OCCCCCCF 34a_100000732779_100009892977 [1,0,0,1,0,0|2,0,0]=4 19398 B13R1.667 O=C1CCC1OCCCCCCF 7a_100000732779_100009892977 [1,0,0,1,0,0|2,0,0]=4 19399 B13R1.667 O=C1CCC1SCCCCCCF 62a_100009892977_100015922095 [1,0,0,1,0,0|2,0,0]=4 19400 B13R1.667 O=C1CCC1SCCCCCCF 62a_100015922095_100009892977 [1,0,0,1,0,0|2,0,0]=4 19401 B13R1.667 O=C1CCC1SCCCCCCO 62a_100000766143_100009892977 [1,0,0,1,0,0|2,0,0]=4 19402 B13R1.667 O=C1CCC1SCCCCCCO 62a_100009892977_100000766143 [1,0,0,1,0,0|2,0,0]=4 19403 B13R1.671 C=CCCNC1CCCC1CCC 269862a_100015191253_100000723119 [1,0,0,1,0,0|1,0,1]=4 19404 B13R1.671 C=CCCNC1CCCC1CCC 270004a_100015191253_100000723119 [1,0,0,1,0,0|1,0,1]=4 19405 B13R1.671 CCCC1CCCC1NCCCF 269862a_100015189416_100000723119 [1,0,0,1,0,0|2,0,0]=4 19406 B13R1.671 CCCC1CCCC1NCCCF 270004a_100015189416_100000723119 [1,0,0,1,0,0|2,0,0]=4 19407 B13R1.671 CCCC1CCCC1NCCCO 269862a_100000182051_100000723119 [1,0,0,1,0,0|1,0,1]=4 19408 B13R1.671 CCCC1CCCC1NCCCO 270004a_100000182051_100000723119 [1,0,0,1,0,0|1,0,1]=4 19409 B13R1.671 CCCCCC1CCCC1NCC 269862a_100015525214_200000198059 [1,0,0,1,0,0|1,0,1]=4 19410 B13R1.671 CCCCCC1CCCC1NCC 270004a_100015525214_200000198059 [1,0,0,1,0,0|1,0,1]=4 19411 B13R1.671 CCCCNC1CCCC1CCC 269862a_100000102301_100000723119 [1,0,0,1,0,0|1,0,1]=4 19412 B13R1.671 CCCCNC1CCCC1CCC 270004a_100000102301_100000723119 [1,0,0,1,0,0|1,0,1]=4 19413 B13R1.671 CCCN1CCCC1COCC=O 34a_200000694710_200009817547 [1,0,0,1,0,0|2,0,0]=4 19414 B13R1.671 CCCN1CCCC1COCC=O 7a_200000694710_200015260668 [1,0,0,1,0,0|2,0,0]=4 19415 B13R1.671 COC[C@@H]1CCCN1CCCC=O 2230a_100020646714_200011292268 [1,0,0,1,0,0|2,0,0]=4 19416 B13R1.671 COC[C@@H]1CCCN1CCCC=O 269982a_100020646714_200011292268 [1,0,0,1,0,0|2,0,0]=4 19417 B13R1.1150 C=CCCCN1CCCCCCC1 2230a_100000211400_100011713584 [1,0,0,1,0,0|1,0,1]=4 19418 B13R1.1150 C=CCCCN1CCCCCCC1 269982a_100000211400_100000757094 [1,0,0,1,0,0|1,0,1]=4 19419 B13R1.1150 C=CCCCN1CCCCCCC1 34a_100000211400_100000757094 [1,0,0,1,0,0|1,0,1]=4 19420 B13R1.1150 C=CCCNC1CCCCCCC1 2230a_100000211152_100000754431 [1,0,0,1,0,0|1,0,1]=4 19421 B13R1.1150 C=CCCNC1CCCCCCC1 270004a_100015191253_100000210524 [1,0,0,1,0,0|1,0,1]=4 19422 B13R1.1150 C=CCCNC1CCCCCCC1 34a_100000211152_100000754431 [1,0,0,1,0,0|1,0,1]=4 19423 B13R1.1150 C=CCCOC1CCCCCCC1 34a_100000210054_100000754431 [1,0,0,1,0,0|1,0,1]=4 19424 B13R1.1150 C=CCCOC1CCCCCCC1 7a_100000210054_100000754431 [1,0,0,1,0,0|1,0,1]=4 19425 B13R1.1150 C=CCOCC1CCCCCCC1 34a_100011216312_100015514636 [1,0,0,1,0,0|1,0,1]=4 19426 B13R1.1150 C=CCOCC1CCCCCCC1 7a_100011216312_100015514636 [1,0,0,1,0,0|1,0,1]=4 19427 B13R1.1150 CCCCCN1CCCCCCC1 2230a_100000211400_100000210326 [1,0,0,1,0,0|1,0,1]=4 19428 B13R1.1150 CCCCCN1CCCCCCC1 269982a_100000211400_100000210215 [1,0,0,1,0,0|1,0,1]=4 19429 B13R1.1150 CCCCCN1CCCCCCC1 34a_100000211400_100000718602 [1,0,0,1,0,0|1,0,1]=4 19430 B13R1.1150 CCCCNC1CCCCCCC1 2230a_100000211152_100000210211 [1,0,0,1,0,0|1,0,1]=4 19431 B13R1.1150 CCCCNC1CCCCCCC1 270004a_100000102301_100000210524 [1,0,0,1,0,0|1,0,1]=4 19432 B13R1.1150 CCCCNC1CCCCCCC1 34a_100000211152_100000210210 [1,0,0,1,0,0|1,0,1]=4 19433 B13R1.1150 CCCCOC1C=CCCCCC1 34a_100000688657_100000210210 [1,0,0,1,0,0|1,0,1]=4 19434 B13R1.1150 CCCCOC1CCCCCCC1 34a_100000210054_100000210210 [1,0,0,1,0,0|1,0,1]=4 19435 B13R1.1150 CCCCOC1CCCCCCC1 7a_100000210054_100000210211 [1,0,0,1,0,0|1,0,1]=4 19436 B13R1.1150 CCCOCC1CCCCCCC1 34a_100011216312_100000210303 [1,0,0,1,0,0|1,0,1]=4 19437 B13R1.1150 CCCOCC1CCCCCCC1 7a_100011216312_100000210303 [1,0,0,1,0,0|1,0,1]=4 19438 B13R1.1150 CCNCCC1CCCCCCC1 2230a_100011532352_100000210202 [1,0,0,1,0,0|1,0,1]=4 19439 B13R1.1150 CCNCCC1CCCCCCC1 34a_100011532352_100000210202 [1,0,0,1,0,0|1,0,1]=4 19440 B13R1.1150 FCCCCN1CCCCCCC1 2230a_100000211400_100000729493 [1,0,0,1,0,0|2,0,0]=4 19441 B13R1.1150 FCCCCN1CCCCCCC1 269982a_100000211400_100000729493 [1,0,0,1,0,0|2,0,0]=4 19442 B13R1.1150 FCCCCN1CCCCCCC1 34a_100000211400_100000729493 [1,0,0,1,0,0|2,0,0]=4 19443 B13R1.1150 FCCCNC1CCCCCCC1 2230a_100000211152_100011934791 [1,0,0,1,0,0|2,0,0]=4 19444 B13R1.1150 FCCCNC1CCCCCCC1 270004a_100015189416_100000210524 [1,0,0,1,0,0|2,0,0]=4 19445 B13R1.1150 FCCCNC1CCCCCCC1 34a_100000211152_100011934791 [1,0,0,1,0,0|2,0,0]=4 19446 B13R1.1150 FCCCOC1CCCCCCC1 34a_100000210054_100011934791 [1,0,0,1,0,0|2,0,0]=4 19447 B13R1.1150 FCCCOC1CCCCCCC1 7a_100000210054_100011934791 [1,0,0,1,0,0|2,0,0]=4 19448 B13R1.1150 FCCOCC1CCCCCCC1 34a_100011216312_100011217306 [1,0,0,1,0,0|2,0,0]=4 19449 B13R1.1150 FCCOCC1CCCCCCC1 7a_100011216312_100011217306 [1,0,0,1,0,0|2,0,0]=4 19450 B13R1.1150 FCNCCC1CCCCCCC1 34a_100011532352_100015361967 [1,0,0,1,0,0|2,0,0]=4 19451 B13R1.1150 O=CCCCN1CCCCCCC1 2230a_100000211400_200011292268 [1,0,0,1,0,0|1,0,0]=3 19452 B13R1.1150 O=CCCCN1CCCCCCC1 269982a_100000211400_200011292268 [1,0,0,1,0,0|1,0,0]=3 19453 B13R1.1150 O=CCOCC1CCCCCCC1 34a_100011216312_200009817547 [1,0,0,1,0,0|1,0,0]=3 19454 B13R1.1150 O=CCOCC1CCCCCCC1 7a_100011216312_200015260668 [1,0,0,1,0,0|1,0,0]=3 19455 B13R1.1150 OCCCCN1CCCCCCC1 2230a_100000211400_100000210776 [1,0,0,1,0,0|1,0,1]=4 19456 B13R1.1150 OCCCCN1CCCCCCC1 269982a_100000211400_100000210776 [1,0,0,1,0,0|1,0,1]=4 19457 B13R1.1150 OCCCCN1CCCCCCC1 34a_100000211400_100011216708 [1,0,0,1,0,0|1,0,1]=4 19458 B13R1.1150 OCCCNC1CCCCCCC1 2230a_100000211152_100000230001 [1,0,0,1,0,0|1,0,1]=4 19459 B13R1.1150 OCCCNC1CCCCCCC1 270004a_100000182051_100000210524 [1,0,0,1,0,0|1,0,1]=4 19460 B13R1.1150 OCCCNC1CCCCCCC1 34a_100000211152_100000230001 [1,0,0,1,0,0|1,0,1]=4 19461 B13R1.1150 OCCCOC1CCCCCCC1 34a_100000210054_100000230001 [1,0,0,1,0,0|1,0,1]=4 19462 B13R1.1150 OCCCOC1CCCCCCC1 7a_100000210054_100011215043 [1,0,0,1,0,0|1,0,1]=4 19463 B13R1.1150 OCCOCC1CCCCCCC1 34a_100011216312_100000211926 [1,0,0,1,0,0|1,0,1]=4 19464 B13R1.1150 OCCOCC1CCCCCCC1 7a_100011216312_100000211926 [1,0,0,1,0,0|1,0,1]=4 19465 B13R1.1887 BrCCCCOC1CCCCCC1 34a_100011216708_100011217769 [1,0,0,1,0,0|2,0,0]=4 19466 B13R1.1887 BrCCCOCC1CCCCCC1 34a_100011217188_200000696569 [1,0,0,1,0,0|2,0,0]=4 19467 B13R1.1887 C=CCCCCN1CCCCCC1 2230a_100000185865_100011215482 [1,0,0,1,0,0|1,0,1]=4 19468 B13R1.1887 C=CCCCCN1CCCCCC1 269982a_100000185865_100011215482 [1,0,0,1,0,0|1,0,1]=4 19469 B13R1.1887 C=CCCCCN1CCCCCC1 34a_100000185865_100011215482 [1,0,0,1,0,0|1,0,1]=4 19470 B13R1.1887 C=CCCCNC1CCCCCC1 2230a_100000210984_100011713584 [1,0,0,1,0,0|1,0,1]=4 19471 B13R1.1887 C=CCCCNC1CCCCCC1 270004a_100000700776_100000210131 [1,0,0,1,0,0|1,0,1]=4 19472 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000210984_100000757094 [1,0,0,1,0,0|1,0,1]=4 19473 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000700776_100011217769 [1,0,0,1,0,0|1,0,1]=4 19474 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000210887_100000757094 [1,0,0,1,0,0|1,0,1]=4 19475 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000758997_100011217769 [1,0,0,1,0,0|1,0,1]=4 19476 B13R1.1887 C=CCCCOC1CCCCCC1 7a_100000210887_100000757094 [1,0,0,1,0,0|1,0,1]=4 19477 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011217769_100000757094 [1,0,0,1,0,0|1,0,1]=4 19478 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011713584_100011217769 [1,0,0,1,0,0|1,0,1]=4 19479 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015191253_200000696569 [1,0,0,1,0,0|1,0,1]=4 19480 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015204231_100000754431 [1,0,0,1,0,0|1,0,1]=4 19481 B13R1.1887 C=CCCNCC1CCCCCC1 269862a_100015191253_200000763224 [1,0,0,1,0,0|1,0,1]=4 19482 B13R1.1887 C=CCCNCC1CCCCCC1 34a_100015204231_100000754431 [1,0,0,1,0,0|1,0,1]=4 19483 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100000699130_100000754431 [1,0,0,1,0,0|1,0,1]=4 19484 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100011205117_200000696569 [1,0,0,1,0,0|1,0,1]=4 19485 B13R1.1887 C=CCCOCC1CCCCCC1 7a_100000699130_100000754431 [1,0,0,1,0,0|1,0,1]=4 19486 B13R1.1887 C=CCCSCC1CCCCCC1 62a_100000754431_200000696569 [1,0,0,1,0,0|1,0,1]=4 19487 B13R1.1887 C=CCCSCC1CCCCCC1 62a_200000696569_100000754431 [1,0,0,1,0,0|1,0,1]=4 19488 B13R1.1887 C=CCNCCC1CCCCCC1 2230a_100011532351_100000210623 [1,0,0,1,0,0|1,0,1]=4 19489 B13R1.1887 C=CCNCCC1CCCCCC1 34a_100011532351_100015514636 [1,0,0,1,0,0|1,0,1]=4 19490 B13R1.1887 CCCCCCN1CCCCCC1 2230a_100000185865_100000210314 [1,0,0,1,0,0|1,0,1]=4 19491 B13R1.1887 CCCCCCN1CCCCCC1 269982a_100000185865_100000210757 [1,0,0,1,0,0|1,0,1]=4 19492 B13R1.1887 CCCCCCN1CCCCCC1 34a_100000185865_100000210314 [1,0,0,1,0,0|1,0,1]=4 19493 B13R1.1887 CCCCCNC1CCCCCC1 2230a_100000210984_100000210326 [1,0,0,1,0,0|1,0,1]=4 19494 B13R1.1887 CCCCCNC1CCCCCC1 270004a_100000209983_100000210131 [1,0,0,1,0,0|1,0,1]=4 19495 B13R1.1887 CCCCCNC1CCCCCC1 34a_100000210984_100000718602 [1,0,0,1,0,0|1,0,1]=4 19496 B13R1.1887 CCCCCOC1CCCCCC1 34a_100000210253_100011217769 [1,0,0,1,0,0|1,0,1]=4 19497 B13R1.1887 CCCCCOC1CCCCCC1 34a_100000210887_100000718602 [1,0,0,1,0,0|1,0,1]=4 19498 B13R1.1887 CCCCCOC1CCCCCC1 7a_100000210887_100000210326 [1,0,0,1,0,0|1,0,1]=4 19499 B13R1.1887 CCCCCSC1CCCCCC1 62a_100000210326_100011217769 [1,0,0,1,0,0|1,0,1]=4 19500 B13R1.1887 CCCCCSC1CCCCCC1 62a_100011217769_100000210326 [1,0,0,1,0,0|1,0,1]=4 19501 B13R1.1887 CCCCNCC1CCCCCC1 2230a_100000102301_200000696569 [1,0,0,1,0,0|1,0,1]=4 19502 B13R1.1887 CCCCNCC1CCCCCC1 2230a_100015204231_100000210211 [1,0,0,1,0,0|1,0,1]=4 19503 B13R1.1887 CCCCNCC1CCCCCC1 269862a_100000102301_200000763224 [1,0,0,1,0,0|1,0,1]=4 19504 B13R1.1887 CCCCNCC1CCCCCC1 34a_100015204231_100000210210 [1,0,0,1,0,0|1,0,1]=4 19505 B13R1.1887 CCCCNCC1CCCCCC1 7a_106832991798_200000696569 [1,0,0,1,0,0|1,0,1]=4 19506 B13R1.1887 CCCCOCC1CCCCCC1 34a_100000210227_200000696569 [1,0,0,1,0,0|1,0,1]=4 19507 B13R1.1887 CCCCOCC1CCCCCC1 34a_100000699130_100000210210 [1,0,0,1,0,0|1,0,1]=4 19508 B13R1.1887 CCCCOCC1CCCCCC1 7a_100000210227_200000696569 [1,0,0,1,0,0|1,0,1]=4 19509 B13R1.1887 CCCCOCC1CCCCCC1 7a_100000699130_100000210211 [1,0,0,1,0,0|1,0,1]=4 19510 B13R1.1887 CCCCSCC1CCCCCC1 62a_100000210211_200000696569 [1,0,0,1,0,0|1,0,1]=4 19511 B13R1.1887 CCCCSCC1CCCCCC1 62a_200000696569_100000210210 [1,0,0,1,0,0|1,0,1]=4 19512 B13R1.1887 CCCNCCC1CCCCCC1 2230a_100011532351_100000210303 [1,0,0,1,0,0|1,0,1]=4 19513 B13R1.1887 CCCNCCC1CCCCCC1 34a_100011532351_100000210303 [1,0,0,1,0,0|1,0,1]=4 19514 B13R1.1887 ClCCCCOC1CCCCCC1 34a_100000210776_100011217769 [1,0,0,1,0,0|2,0,0]=4 19515 B13R1.1887 ClCCCOCC1CCCCCC1 34a_100000230001_200000696569 [1,0,0,1,0,0|2,0,0]=4 19516 B13R1.1887 FCCCCCN1CCCCCC1 2230a_100000185865_100000729378 [1,0,0,1,0,0|2,0,0]=4 19517 B13R1.1887 FCCCCCN1CCCCCC1 269982a_100000185865_100000729378 [1,0,0,1,0,0|2,0,0]=4 19518 B13R1.1887 FCCCCCN1CCCCCC1 34a_100000185865_100000729378 [1,0,0,1,0,0|2,0,0]=4 19519 B13R1.1887 FCCCCNC1CCCCCC1 2230a_100000210984_100000729493 [1,0,0,1,0,0|2,0,0]=4 19520 B13R1.1887 FCCCCNC1CCCCCC1 34a_100000210984_100000729493 [1,0,0,1,0,0|2,0,0]=4 19521 B13R1.1887 FCCCCOC1CCCCCC1 34a_100000210887_100000729493 [1,0,0,1,0,0|2,0,0]=4 19522 B13R1.1887 FCCCCOC1CCCCCC1 34a_100011995726_100011217769 [1,0,0,1,0,0|2,0,0]=4 19523 B13R1.1887 FCCCCOC1CCCCCC1 7a_100000210887_100000729493 [1,0,0,1,0,0|2,0,0]=4 19524 B13R1.1887 FCCCCSC1CCCCCC1 62a_100000729493_100011217769 [1,0,0,1,0,0|2,0,0]=4 19525 B13R1.1887 FCCCCSC1CCCCCC1 62a_100011217769_100000729493 [1,0,0,1,0,0|2,0,0]=4 19526 B13R1.1887 FCCCNCC1CCCCCC1 2230a_100015189416_200000696569 [1,0,0,1,0,0|2,0,0]=4 19527 B13R1.1887 FCCCNCC1CCCCCC1 2230a_100015204231_100011934791 [1,0,0,1,0,0|2,0,0]=4 19528 B13R1.1887 FCCCNCC1CCCCCC1 269862a_100015189416_200000763224 [1,0,0,1,0,0|2,0,0]=4 19529 B13R1.1887 FCCCNCC1CCCCCC1 34a_100015189416_200000696569 [1,0,0,1,0,0|2,0,0]=4 19530 B13R1.1887 FCCCNCC1CCCCCC1 34a_100015204231_100011934791 [1,0,0,1,0,0|2,0,0]=4 19531 B13R1.1887 FCCCOCC1CCCCCC1 34a_100000699130_100011934791 [1,0,0,1,0,0|2,0,0]=4 19532 B13R1.1887 FCCCOCC1CCCCCC1 34a_100000759539_200000696569 [1,0,0,1,0,0|2,0,0]=4 19533 B13R1.1887 FCCCOCC1CCCCCC1 7a_100000699130_100011934791 [1,0,0,1,0,0|2,0,0]=4 19534 B13R1.1887 FCCCSCC1CCCCCC1 62a_100011934791_200000696569 [1,0,0,1,0,0|2,0,0]=4 19535 B13R1.1887 FCCCSCC1CCCCCC1 62a_200000696569_100011934791 [1,0,0,1,0,0|2,0,0]=4 19536 B13R1.1887 FCCNCCC1CCCCCC1 2230a_100011532351_100011217306 [1,0,0,1,0,0|2,0,0]=4 19537 B13R1.1887 FCCNCCC1CCCCCC1 34a_100011532351_100011217306 [1,0,0,1,0,0|2,0,0]=4 19538 B13R1.1887 ICCCCOC1CCCCCC1 34a_200012148704_100011217769 [1,0,0,1,0,0|2,0,0]=4 19539 B13R1.1887 NCCCCOC1CCCCCC1 34a_100000750430_100011217769 [1,0,0,1,0,0|2,0,0]=4 19540 B13R1.1887 NCCCOCC1CCCCCC1 34a_100000182051_200000696569 [1,0,0,1,0,0|2,0,0]=4 19541 B13R1.1887 O=CCCCCN1CCCCCC1 2230a_100000185865_100000139335 [1,0,0,1,0,0|1,0,0]=3 19542 B13R1.1887 O=CCCCCN1CCCCCC1 269982a_100000185865_100000139335 [1,0,0,1,0,0|1,0,0]=3 19543 B13R1.1887 O=CCCCCN1CCCOCC1 2230a_100000685342_100000139335 [1,0,0,1,0,0|2,0,0]=4 19544 B13R1.1887 O=CCCCCN1CCCOCC1 269982a_100000685342_100000139335 [1,0,0,1,0,0|2,0,0]=4 19545 B13R1.1887 O=CCCCNC1CCCCCC1 2230a_100000210984_200011292268 [1,0,0,1,0,0|1,0,0]=3 19546 B13R1.1887 O=CCCCOC1CCCCCC1 7a_100000210887_200011292268 [1,0,0,1,0,0|1,0,0]=3 19547 B13R1.1887 O=CCCCSC1CCCCCC1 62a_100011217769_200011292268 [1,0,0,1,0,0|1,0,0]=3 19548 B13R1.1887 O=CCCCSC1CCCCCC1 62a_200011292268_100011217769 [1,0,0,1,0,0|1,0,0]=3 19549 B13R1.1887 O=CCNCCC1CCCCCC1 2230a_100011532351_200015260668 [1,0,0,1,0,0|1,0,0]=3 19550 B13R1.1887 O=CCNCCC1CCCCCC1 34a_100011532351_200009817547 [1,0,0,1,0,0|1,0,0]=3 19551 B13R1.1887 O=CCOCCN1CCCCCC1 34a_100000238007_200009817547 [1,0,0,1,0,0|2,0,0]=4 19552 B13R1.1887 O=CCSCCN1CCCCCC1 62a_100000722644_200015260668 [1,0,0,1,0,0|2,0,0]=4 19553 B13R1.1887 O=CCSCCN1CCCCCC1 62a_200015260668_100000722644 [1,0,0,1,0,0|2,0,0]=4 19554 B13R1.1887 OCCCCCN1CCCCCC1 2230a_100000185865_100000746330 [1,0,0,1,0,0|1,0,1]=4 19555 B13R1.1887 OCCCCCN1CCCCCC1 269982a_100000185865_100000746330 [1,0,0,1,0,0|1,0,1]=4 19556 B13R1.1887 OCCCCCN1CCCCCC1 34a_100000185865_100000746330 [1,0,0,1,0,0|1,0,1]=4 19557 B13R1.1887 OCCCCNC1CCCCCC1 2230a_100000210984_100000210776 [1,0,0,1,0,0|1,0,1]=4 19558 B13R1.1887 OCCCCNC1CCCCCC1 270004a_100000750430_100000210131 [1,0,0,1,0,0|1,0,1]=4 19559 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000210984_100011216708 [1,0,0,1,0,0|1,0,1]=4 19560 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000750430_100011217769 [1,0,0,1,0,0|1,0,1]=4 19561 B13R1.1887 OCCCCOC1CCCCCC1 34a_100000210887_100011216708 [1,0,0,1,0,0|1,0,1]=4 19562 B13R1.1887 OCCCCOC1CCCCCC1 7a_100000210887_100000210776 [1,0,0,1,0,0|1,0,1]=4 19563 B13R1.1887 OCCCCSC1CCCCCC1 62a_100000210776_100011217769 [1,0,0,1,0,0|1,0,1]=4 19564 B13R1.1887 OCCCCSC1CCCCCC1 62a_100011217769_100000210776 [1,0,0,1,0,0|1,0,1]=4 19565 B13R1.1887 OCCCNCC1CCCCCC1 2230a_100015204231_100000230001 [1,0,0,1,0,0|1,0,1]=4 19566 B13R1.1887 OCCCNCC1CCCCCC1 269862a_100000182051_200000763224 [1,0,0,1,0,0|1,0,1]=4 19567 B13R1.1887 OCCCNCC1CCCCCC1 34a_100015204231_100000230001 [1,0,0,1,0,0|1,0,1]=4 19568 B13R1.1887 OCCCOCC1CCCCCC1 34a_100000699130_100000230001 [1,0,0,1,0,0|1,0,1]=4 19569 B13R1.1887 OCCCOCC1CCCCCC1 7a_100000699130_100011215043 [1,0,0,1,0,0|1,0,1]=4 19570 B13R1.1887 OCCCSCC1CCCCCC1 62a_100011215043_200000696569 [1,0,0,1,0,0|1,0,1]=4 19571 B13R1.1887 OCCCSCC1CCCCCC1 62a_200000696569_100011215043 [1,0,0,1,0,0|1,0,1]=4 19572 B13R1.1887 OCCNCCC1CCCCCC1 2230a_100011532351_100000211926 [1,0,0,1,0,0|1,0,1]=4 19573 B13R1.1887 OCCNCCC1CCCCCC1 34a_100011532351_100000211926 [1,0,0,1,0,0|1,0,1]=4 19574 B15R1.83 C=CCCCCC(=O)CC1CCCCC1 1458a_100000211666_100011215482 [0,1,0,1,0,0|1,0,1]=4 19575 B15R1.83 C=CCCCCC(=O)CC1CCCCC1 1458a_100011215552_100000211423 [0,1,0,1,0,0|1,0,1]=4 19576 B15R1.83 C=CCCCCN(C)CC1CCCCC1 2230a_100000736448_100011215482 [0,1,0,1,0,0|2,0,0]=4 19577 B15R1.83 C=CCCCCN(C)CC1CCCCC1 2230a_100012000471_100000211423 [0,1,0,1,0,0|2,0,0]=4 19578 B15R1.83 C=CCCCCN(C)CC1CCCCC1 269982a_100000736448_100011215482 [0,1,0,1,0,0|2,0,0]=4 19579 B15R1.83 C=CCCCCN(C)CC1CCCCC1 269982a_100012000471_100000211423 [0,1,0,1,0,0|2,0,0]=4 19580 B15R1.83 C=CCCCCN(C)CC1CCCCC1 34a_100000736448_100011215482 [0,1,0,1,0,0|2,0,0]=4 19581 B15R1.83 C=CCCCNC(C)CC1CCCCC1 270004a_100000700776_100011215996 [0,1,0,1,0,0|2,0,0]=4 19582 B15R1.83 C=CCCOC[C@@H](N)CC1CCCCC1 34a_100015184289_100000754431 [0,1,0,1,0,0|2,0,0]=4 19583 B15R1.83 CC(CN1CCCCC1)NCCCC=O 2230a_100000738326_200011292268 [0,1,0,1,0,0|2,0,0]=4 19584 B15R1.83 CC(CN1CCCCC1)SCCCC=O 62a_100009831500_200011292268 [0,1,0,1,0,0|2,0,0]=4 19585 B15R1.83 CC(CN1CCCCC1)SCCCC=O 62a_200011292268_100009831500 [0,1,0,1,0,0|2,0,0]=4 19586 B15R1.83 CCCCCCC(C)NC1C=CCCC1 2230a_100000210919_100000751183 [0,1,0,1,0,0|2,0,0]=4 19587 B15R1.83 CCCCCCC(C)OC1C=CCCC1 34a_100011215024_100011215978 [0,1,0,1,0,0|2,0,0]=4 19588 B15R1.83 CCCCCCC(C)OC1C=CCCC1 7a_100000210265_100000751183 [0,1,0,1,0,0|2,0,0]=4 19589 B15R1.83 CCCCCCC(C)SC1C=CCCC1 62a_100000751183_100011215978 [0,1,0,1,0,0|2,0,0]=4 19590 B15R1.83 CCCCCCC(C)SC1C=CCCC1 62a_100011215978_100000751183 [0,1,0,1,0,0|2,0,0]=4 19591 B15R1.83 CN(CCCCC=O)CC1CCCCC1 2230a_100000736448_100000139335 [0,1,0,1,0,0|1,0,0]=3 19592 B15R1.83 CN(CCCCC=O)CC1CCCCC1 269982a_100000736448_100000139335 [0,1,0,1,0,0|1,0,0]=3 19593 B15R1.83 CN(CCCCC=O)CC1CCCCO1 2230a_100000225654_100000139335 [0,1,0,1,0,0|2,0,0]=4 19594 B15R1.83 CN(CCCCC=O)CC1CCCCO1 269982a_100000225654_100000139335 [0,1,0,1,0,0|2,0,0]=4 19595 B15R1.83 CN(CCCCC=O)CC1CCOCC1 2230a_100025706683_100000139335 [0,1,0,1,0,0|2,0,0]=4 19596 B15R1.83 CN(CCCCC=O)CC1CCOCC1 269982a_100025706683_100000139335 [0,1,0,1,0,0|2,0,0]=4 19597 B15R1.83 CN(CCCCC=O)CC1CCSCC1 2230a_100011935259_100000139335 [0,1,0,1,0,0|2,0,0]=4 19598 B15R1.83 CN(CCCCC=O)CC1CCSCC1 269982a_100011935259_100000139335 [0,1,0,1,0,0|2,0,0]=4 19599 B15R1.138 C=CCCCCCC(=O)C1CCCCC1 1458a_100000210647_100000700193 [0,1,0,1,0,0|1,0,1]=4 19600 B15R1.138 C=CCCCCCC(=O)C1CCCCC1 1458a_100011934241_100000210327 [0,1,0,1,0,0|1,0,1]=4 19601 B15R1.138 C=CCCCCCN(C)C1CCCCC1 2230a_100000207522_100000700193 [0,1,0,1,0,0|2,0,0]=4 19602 B15R1.138 C=CCCCCCN(C)C1CCCCC1 269982a_100000207522_100000700193 [0,1,0,1,0,0|2,0,0]=4 19603 B15R1.138 C=CCCCCCN(C)C1CCCCC1 34a_100000207522_100000700193 [0,1,0,1,0,0|2,0,0]=4 19604 B15R1.138 C=CCCCCNC(C)C1CCCCC1 269862a_100000703577_100000210989 [0,1,0,1,0,0|2,0,0]=4 19605 B15R1.138 C=CCCCCN[C@H](C)C1CCCCC1 2230a_100025707633_100011215482 [0,1,0,1,0,0|2,0,0]=4 19606 B15R1.138 C=CCCCCN[C@H](C)C1CCCCC1 34a_100025707633_100011215482 [0,1,0,1,0,0|2,0,0]=4 19607 B15R1.138 C=CCCCCOC(C)C1CCCCC1 34a_100011216961_100011215482 [0,1,0,1,0,0|2,0,0]=4 19608 B15R1.138 C=CCCCCOC(C)C1CCCCC1 7a_100011216961_100011215482 [0,1,0,1,0,0|2,0,0]=4 19609 B15R1.138 C=CCCCOC[C@H](N)C1CCCCC1 34a_100009817630_100000757094 [0,1,0,1,0,0|2,0,0]=4 19610 B15R1.138 C=CCCOCCC(N)C1CCCCC1 34a_200020622111_100000754431 [0,1,0,1,0,0|2,0,0]=4 19611 B15R1.138 CC(OCCCCC=O)C1CCCCC1 7a_100011216961_100000139335 [0,1,0,1,0,0|1,0,0]=3 19612 B15R1.138 CCCCCCCC(=O)C1C=CCCC1 1458a_100000211969_100000751183 [0,1,0,1,0,0|1,0,1]=4 19613 B15R1.138 CCCCCCCN(C)C1C=CCCC1 2230a_100000228206_100000751183 [0,1,0,1,0,0|2,0,0]=4 19614 B15R1.138 CCCCCCCN(C)C1C=CCCC1 269982a_100000228206_100000751183 [0,1,0,1,0,0|2,0,0]=4 19615 B15R1.138 CN(CCCCCC=O)C1CCCCC1 2230a_100000207522_100000139337 [0,1,0,1,0,0|1,0,0]=3 19616 B15R1.138 CN(CCCCCC=O)C1CCCCC1 269982a_100000207522_100000139337 [0,1,0,1,0,0|1,0,0]=3 19617 B15R1.138 CN(CCCCCC=O)C1CCOCC1 2230a_100020587155_100000139337 [0,1,0,1,0,0|2,0,0]=4 19618 B15R1.138 CN(CCCCCC=O)C1CCOCC1 269982a_100020587155_100000139337 [0,1,0,1,0,0|2,0,0]=4 19619 B15R1.138 CN(CCCCCC=O)C1CCSCC1 2230a_100015184757_100000139337 [0,1,0,1,0,0|2,0,0]=4 19620 B15R1.138 CN(CCCCCC=O)C1CCSCC1 269982a_100015184757_100000139337 [0,1,0,1,0,0|2,0,0]=4 19621 B15R1.138 C[C@@H](NCCCCC=O)C1CCCCC1 2230a_100025707633_100000139335 [0,1,0,1,0,0|1,0,0]=3 19622 B15R1.138 C[C@@H](OCCCCC=O)C1CCOCC1 7a_100000703848_100000139335 [0,1,0,1,0,0|2,0,0]=4 19623 B15R1.138 O=CCCCSCC(=O)C1CCCCC1 62a_100000241979_200011292268 [0,1,0,1,0,0|1,0,1]=4 19624 B15R1.138 O=CCCCSCC(=O)C1CCCCC1 62a_200011292268_100000241979 [0,1,0,1,0,0|1,0,1]=4 19625 B15R1.236 CCCN1CCCC(C1)NCCCC=O 2230a_100011435248_200011292268 [0,1,0,1,0,0|2,0,0]=4 19626 B15R1.236 CCOC1CCCN(C1)CCCCC=O 2230a_100000745229_100000139335 [0,1,0,1,0,0|2,0,0]=4 19627 B15R1.236 CCOC1CCCN(C1)CCCCC=O 269982a_100000745229_100000139335 [0,1,0,1,0,0|2,0,0]=4 19628 B15R1.236 COCC1CCCN(C1)CCCCC=O 2230a_100000755410_100000139335 [0,1,0,1,0,0|2,0,0]=4 19629 B15R1.236 COCC1CCCN(C1)CCCCC=O 269982a_100000755410_100000139335 [0,1,0,1,0,0|2,0,0]=4 19630 B15R1.236 O=CCCCCN1CCCC(C1)CCO 2230a_100000752241_100000139335 [0,1,0,1,0,0|2,0,0]=4 19631 B15R1.236 O=CCCCCN1CCCC(C1)CCO 269982a_100000752241_100000139335 [0,1,0,1,0,0|2,0,0]=4 19632 B15R1.579 C=CCCCCC(=O)CCC1CCCC1 1458a_100000211120_100011215482 [0,1,0,1,0,0|1,0,1]=4 19633 B15R1.579 C=CCCCCC(=O)CCC1CCCC1 1458a_100011215552_100000760354 [0,1,0,1,0,0|1,0,1]=4 19634 B15R1.579 C=CCCCCN(C)CCC1CCCC1 2230a_100012000471_100000760354 [0,1,0,1,0,0|2,0,0]=4 19635 B15R1.579 C=CCCCCN(C)CCC1CCCC1 269982a_100012000471_100000760354 [0,1,0,1,0,0|2,0,0]=4 19636 B15R1.579 CN(CCCCC=O)CCN1CCCC1 2230a_100000225677_100000139335 [0,1,0,1,0,0|2,0,0]=4 19637 B15R1.579 CN(CCCCC=O)CCN1CCCC1 269982a_100000225677_100000139335 [0,1,0,1,0,0|2,0,0]=4 19638 B15R1.585 C=CCCCCCC(=O)CC1CCCC1 1458a_100000210891_100000700193 [0,1,0,1,0,0|1,0,1]=4 19639 B15R1.585 C=CCCCCCC(=O)CC1CCCC1 1458a_100011934241_100000740388 [0,1,0,1,0,0|1,0,1]=4 19640 B15R1.585 C=CCCCCNC(C)CC1CCCC1 270004a_100000703577_100000692464 [0,1,0,1,0,0|2,0,0]=4 19641 B15R1.585 CC(COCCCC=O)CN1CCCC1 7a_200011934648_200011292268 [0,1,0,1,0,0|2,0,0]=4 19642 B15R1.585 CCCCCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210614 [0,1,0,1,0,0|1,0,1]=4 19643 B15R1.585 CCCCCCNC(C)CC1C=CCC1 270004a_100000210581_100000116859 [0,1,0,1,0,0|2,0,0]=4 19644 B15R1.585 CN(CCCCCC=O)CC1CCCO1 2230a_100102946541_100000139337 [0,1,0,1,0,0|2,0,0]=4 19645 B15R1.585 CN(CCCCCC=O)CC1CCCO1 269982a_100102946541_100000139337 [0,1,0,1,0,0|2,0,0]=4 19646 B15R1.585 CN(CCCCCC=O)CC1CCOC1 2230a_100000684583_100000139337 [0,1,0,1,0,0|2,0,0]=4 19647 B15R1.585 CN(CCCCCC=O)CC1CCOC1 269982a_100000684583_100000139337 [0,1,0,1,0,0|2,0,0]=4 19648 B15R1.1949 C=CCCCCCN1CCCCC(C1)O 2230a_100025706797_100000700193 [0,1,0,1,0,0|2,0,0]=4 19649 B15R1.1949 C=CCCCCCN1CCCCC(C1)O 269982a_100025706797_100000700193 [0,1,0,1,0,0|2,0,0]=4 19650 B15R1.1949 CCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210681 [0,1,0,1,0,0|2,0,0]=4 19651 B15R1.1949 O=CCCCCCN1CCCCC(C1)O 2230a_100025706797_100000139337 [0,1,0,1,0,0|1,0,0]=3 19652 B15R1.1949 O=CCCCCCN1CCCCC(C1)O 269982a_100025706797_100000139337 [0,1,0,1,0,0|1,0,0]=3 19653 B15R1.1949 O=CCCCCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000139337 [0,1,0,1,0,0|2,0,0]=4 19654 B15R1.1949 O=CCCCCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000139337 [0,1,0,1,0,0|2,0,0]=4 19655 B15R1.1951 C#CCCCCCN1CCCCCCC1 2230a_100000211400_100012094781 [0,1,0,1,0,0|1,0,1]=4 19656 B15R1.1951 C#CCCCCCN1CCCCCCC1 269982a_100000211400_100012094781 [0,1,0,1,0,0|1,0,1]=4 19657 B15R1.1951 C#CCCCCCN1CCCCCCC1 34a_100000211400_100012094781 [0,1,0,1,0,0|1,0,1]=4 19658 B15R1.1951 C#CCCCCNC1CCCCCCC1 2230a_100000211152_100010269958 [0,1,0,1,0,0|1,0,1]=4 19659 B15R1.1951 C#CCCCCNC1CCCCCCC1 34a_100000211152_100010269958 [0,1,0,1,0,0|1,0,1]=4 19660 B15R1.1951 C#CCCCCOC1CCCCCCC1 34a_100000210054_100010269958 [0,1,0,1,0,0|1,0,1]=4 19661 B15R1.1951 C#CCCCCOC1CCCCCCC1 7a_100000210054_100010269958 [0,1,0,1,0,0|1,0,1]=4 19662 B15R1.1951 C#CCCCOCC1CCCCCCC1 34a_100011216312_100000695029 [0,1,0,1,0,0|1,0,1]=4 19663 B15R1.1951 C#CCCCOCC1CCCCCCC1 7a_100011216312_100011215417 [0,1,0,1,0,0|1,0,1]=4 19664 B15R1.1951 C#CCCNCCC1CCCCCCC1 2230a_100011532352_100000688953 [0,1,0,1,0,0|1,0,1]=4 19665 B15R1.1951 C#CCCNCCC1CCCCCCC1 34a_100011532352_100000688953 [0,1,0,1,0,0|1,0,1]=4 19666 B15R1.1951 C/C=C/CNCCC1CCCCCCC1 34a_100011532352_100102629194 [0,1,0,1,0,0|1,0,1]=4 19667 B15R1.1951 C=CCCCCCN1CCCCCCC1 2230a_100000211400_100000700193 [0,1,0,1,0,0|1,0,0]=3 19668 B15R1.1951 C=CCCCCCN1CCCCCCC1 269982a_100000211400_100000700193 [0,1,0,1,0,0|1,0,0]=3 19669 B15R1.1951 C=CCCCCCN1CCCCCCC1 34a_100000211400_100000700193 [0,1,0,1,0,0|1,0,0]=3 19670 B15R1.1951 C=CCCCCNC1CCCCCCC1 2230a_100000211152_100011215482 [0,1,0,1,0,0|1,0,0]=3 19671 B15R1.1951 C=CCCCCNC1CCCCCCC1 270004a_100000703577_100000210524 [0,1,0,1,0,0|1,0,0]=3 19672 B15R1.1951 C=CCCCCNC1CCCCCCC1 34a_100000211152_100011215482 [0,1,0,1,0,0|1,0,0]=3 19673 B15R1.1951 C=CCCCCOC1CCCCCCC1 34a_100000210054_100011215482 [0,1,0,1,0,0|1,0,0]=3 19674 B15R1.1951 C=CCCCCOC1CCCCCCC1 7a_100000210054_100011215482 [0,1,0,1,0,0|1,0,0]=3 19675 B15R1.1951 C=CCCCOCC1CCCCCCC1 34a_100011216312_100000757094 [0,1,0,1,0,0|1,0,0]=3 19676 B15R1.1951 C=CCCCOCC1CCCCCCC1 7a_100011216312_100000757094 [0,1,0,1,0,0|1,0,0]=3 19677 B15R1.1951 C=CCCNCCC1CCCCCCC1 2230a_100011532352_100000754431 [0,1,0,1,0,0|1,0,0]=3 19678 B15R1.1951 C=CCCNCCC1CCCCCCC1 34a_100011532352_100000754431 [0,1,0,1,0,0|1,0,0]=3 19679 B15R1.1951 C=COCCCNC1CCCCCCC1 270004a_100000210767_100000210524 [0,1,0,1,0,0|2,0,0]=4 19680 B15R1.1951 C=COCCOCC1CCCCCCC1 34a_100011216312_100000039644 [0,1,0,1,0,0|2,0,0]=4 19681 B15R1.1951 C=COCCOCC1CCCCCCC1 7a_100011216312_100000039644 [0,1,0,1,0,0|2,0,0]=4 19682 B15R1.1951 CC=CCNCCC1CCCCCCC1 2230a_100011532352_100000070051 [0,1,0,1,0,0|1,0,1]=4 19683 B15R1.1951 CC=CCNCCC1CCCCCCC1 34a_100011532352_100000070051 [0,1,0,1,0,0|1,0,1]=4 19684 B15R1.1951 CCCCCCCN1CCCCCCC1 2230a_100000211400_100000210681 [0,1,0,1,0,0|1,0,1]=4 19685 B15R1.1951 CCCCCCCN1CCCCCCC1 269982a_100000211400_100000210681 [0,1,0,1,0,0|1,0,1]=4 19686 B15R1.1951 CCCCCCCN1CCCCCCC1 34a_100000211400_100000210614 [0,1,0,1,0,0|1,0,1]=4 19687 B15R1.1951 CCCCCCNC1CCCCCCC1 2230a_100000211152_100000210314 [0,1,0,1,0,0|1,0,1]=4 19688 B15R1.1951 CCCCCCNC1CCCCCCC1 270004a_100000210581_100000210524 [0,1,0,1,0,0|1,0,1]=4 19689 B15R1.1951 CCCCCCNC1CCCCCCC1 34a_100000211152_100000210314 [0,1,0,1,0,0|1,0,1]=4 19690 B15R1.1951 CCCCCCOC1C=CCCCCC1 34a_100000688657_100000210314 [0,1,0,1,0,0|1,0,0]=3 19691 B15R1.1951 CCCCCCOC1CCCCCCC1 34a_100000210054_100000210314 [0,1,0,1,0,0|1,0,1]=4 19692 B15R1.1951 CCCCCCOC1CCCCCCC1 7a_100000210054_100000210314 [0,1,0,1,0,0|1,0,1]=4 19693 B15R1.1951 CCCCCOCC1CCCCCCC1 34a_100011216312_100000718602 [0,1,0,1,0,0|1,0,1]=4 19694 B15R1.1951 CCCCCOCC1CCCCCCC1 7a_100011216312_100000210326 [0,1,0,1,0,0|1,0,1]=4 19695 B15R1.1951 CCCCNCCC1CCCCCCC1 2230a_100011532352_100000210211 [0,1,0,1,0,0|1,0,1]=4 19696 B15R1.1951 CCCCNCCC1CCCCCCC1 34a_100011532352_100000210210 [0,1,0,1,0,0|1,0,1]=4 19697 B15R1.1951 CCCCOCOC1C=CCCCCC1 34a_100000688657_100011995733 [0,1,0,1,0,0|2,0,0]=4 19698 B15R1.1951 CCCOCCOC1C=CCCCCC1 34a_100000688657_100011215938 [0,1,0,1,0,0|2,0,0]=4 19699 B15R1.1951 CCOCCCOC1C=CCCCCC1 34a_100000688657_100012232248 [0,1,0,1,0,0|2,0,0]=4 19700 B15R1.1951 COCCCCNC1CCCCCCC1 2230a_100000211152_100000730899 [0,1,0,1,0,0|2,0,0]=4 19701 B15R1.1951 COCCCCNC1CCCCCCC1 34a_100000211152_100000755781 [0,1,0,1,0,0|2,0,0]=4 19702 B15R1.1951 COCCCCOC1C=CCCCCC1 34a_100000688657_100000755781 [0,1,0,1,0,0|2,0,0]=4 19703 B15R1.1951 COCCCCOC1CCCCCCC1 34a_100000210054_100000755781 [0,1,0,1,0,0|2,0,0]=4 19704 B15R1.1951 COCCCCOC1CCCCCCC1 7a_100000210054_100000730899 [0,1,0,1,0,0|2,0,0]=4 19705 B15R1.1951 COCCCOCC1CCCCCCC1 34a_100011216312_100000740836 [0,1,0,1,0,0|2,0,0]=4 19706 B15R1.1951 COCCCOCC1CCCCCCC1 7a_100011216312_100000740836 [0,1,0,1,0,0|2,0,0]=4 19707 B15R1.1951 COCCNCCC1CCCCCCC1 2230a_100011532352_100011201679 [0,1,0,1,0,0|2,0,0]=4 19708 B15R1.1951 COCCNCCC1CCCCCCC1 34a_100011532352_100011201679 [0,1,0,1,0,0|2,0,0]=4 19709 B15R1.1951 CSCCNCCC1CCCCCCC1 2230a_100011532352_100000751147 [0,1,0,1,0,0|2,0,0]=4 19710 B15R1.1951 CSCCNCCC1CCCCCCC1 34a_100011532352_100000212216 [0,1,0,1,0,0|2,0,0]=4 19711 B15R1.1951 FCCCCCCN1CCCCCCC1 2230a_100000211400_100015922095 [0,1,0,1,0,0|1,0,1]=4 19712 B15R1.1951 FCCCCCCN1CCCCCCC1 269982a_100000211400_100015922095 [0,1,0,1,0,0|1,0,1]=4 19713 B15R1.1951 FCCCCCCN1CCCCCCC1 34a_100000211400_100015922095 [0,1,0,1,0,0|1,0,1]=4 19714 B15R1.1951 FCCCCCNC1CCCCCCC1 2230a_100000211152_100000729378 [0,1,0,1,0,0|1,0,1]=4 19715 B15R1.1951 FCCCCCNC1CCCCCCC1 34a_100000211152_100000729378 [0,1,0,1,0,0|1,0,1]=4 19716 B15R1.1951 FCCCCCOC1C=CCCCCC1 34a_100000688657_100000729378 [0,1,0,1,0,0|2,0,0]=4 19717 B15R1.1951 FCCCCCOC1CCCCCCC1 34a_100000210054_100000729378 [0,1,0,1,0,0|1,0,1]=4 19718 B15R1.1951 FCCCCCOC1CCCCCCC1 7a_100000210054_100000729378 [0,1,0,1,0,0|1,0,1]=4 19719 B15R1.1951 FCCCCOCC1CCCCCCC1 34a_100011216312_100000729493 [0,1,0,1,0,0|1,0,1]=4 19720 B15R1.1951 FCCCCOCC1CCCCCCC1 7a_100011216312_100000729493 [0,1,0,1,0,0|1,0,1]=4 19721 B15R1.1951 FCCCNCCC1CCCCCCC1 2230a_100011532352_100011934791 [0,1,0,1,0,0|1,0,1]=4 19722 B15R1.1951 FCCCNCCC1CCCCCCC1 34a_100011532352_100011934791 [0,1,0,1,0,0|1,0,1]=4 19723 B15R1.1951 N#CCCCCCN1CCCCCCC1 2230a_100000211400_100009813376 [0,1,0,1,0,0|1,0,1]=4 19724 B15R1.1951 N#CCCCCCN1CCCCCCC1 269982a_100000211400_100009813376 [0,1,0,1,0,0|1,0,1]=4 19725 B15R1.1951 N#CCCCCNC1CCCCCCC1 2230a_100000211152_100000211819 [0,1,0,1,0,0|1,0,1]=4 19726 B15R1.1951 N#CCCCCNC1CCCCCCC1 270004a_100000751965_100000210524 [0,1,0,1,0,0|1,0,1]=4 19727 B15R1.1951 N#CCCCCOC1CCCCCCC1 7a_100000210054_100000211819 [0,1,0,1,0,0|1,0,1]=4 19728 B15R1.1951 N#CCCCOCC1CCCCCCC1 7a_100011216312_100000687738 [0,1,0,1,0,0|1,0,1]=4 19729 B15R1.1951 N#CCCNCCC1CCCCCCC1 2230a_100011532352_100011215226 [0,1,0,1,0,0|1,0,1]=4 19730 B15R1.1951 O=CCCCCCN1CCCCCCC1 2230a_100000211400_100000139337 [0,1,0,1,0,0|0,0,0]=2 19731 B15R1.1951 O=CCCCCCN1CCCCCCC1 269982a_100000211400_100000139337 [0,1,0,1,0,0|0,0,0]=2 19732 B15R1.1951 O=CCCCCNC1CCCCCCC1 2230a_100000211152_100000139335 [0,1,0,1,0,0|0,0,0]=2 19733 B15R1.1951 O=CCCCCOC1CCCCCCC1 7a_100000210054_100000139335 [0,1,0,1,0,0|0,0,0]=2 19734 B15R1.1951 O=CCCCCSC1CC/C=C\CCC1 62a_100000139335_100021000466 [0,1,0,1,0,0|0,0,2]=4 19735 B15R1.1951 O=CCCCCSC1CC/C=C\CCC1 62a_100021000466_100000139335 [0,1,0,1,0,0|0,0,2]=4 19736 B15R1.1951 O=CCCCNCC1CC/C=C\CCC1 2230a_100102730862_200011292268 [0,1,0,1,0,0|0,0,2]=4 19737 B15R1.1951 O=CCCCOCC1CCCCCCC1 7a_100011216312_200011292268 [0,1,0,1,0,0|0,0,0]=2 19738 B15R1.1951 OCCCCCCN1CCCCCCC1 2230a_100000211400_100000766143 [0,1,0,1,0,0|0,0,2]=4 19739 B15R1.1951 OCCCCCCN1CCCCCCC1 269982a_100000211400_100000766143 [0,1,0,1,0,0|0,0,2]=4 19740 B15R1.1951 OCCCCCCN1CCCCCCC1 34a_100000211400_100000766143 [0,1,0,1,0,0|0,0,2]=4 19741 B15R1.1951 OCCCCCNC1CCCCCCC1 2230a_100000211152_100000746330 [0,1,0,1,0,0|0,0,2]=4 19742 B15R1.1951 OCCCCCNC1CCCCCCC1 270004a_100000762737_100000210524 [0,1,0,1,0,0|0,0,2]=4 19743 B15R1.1951 OCCCCCNC1CCCCCCC1 34a_100000211152_100000746330 [0,1,0,1,0,0|0,0,2]=4 19744 B15R1.1951 OCCCCCOC1C=CCCCCC1 34a_100000688657_100000746330 [0,1,0,1,0,0|2,0,0]=4 19745 B15R1.1951 OCCCCCOC1CCCCCCC1 34a_100000210054_100000746330 [0,1,0,1,0,0|0,0,2]=4 19746 B15R1.1951 OCCCCCOC1CCCCCCC1 7a_100000210054_100000746330 [0,1,0,1,0,0|0,0,2]=4 19747 B15R1.1951 OCCCCOCC1CCCCCCC1 34a_100011216312_100011216708 [0,1,0,1,0,0|0,0,2]=4 19748 B15R1.1951 OCCCCOCC1CCCCCCC1 7a_100011216312_100000210776 [0,1,0,1,0,0|0,0,2]=4 19749 B15R1.1951 OCCCNCCC1CCCCCCC1 2230a_100011532352_100000230001 [0,1,0,1,0,0|0,0,2]=4 19750 B15R1.1951 OCCCNCCC1CCCCCCC1 34a_100011532352_100000230001 [0,1,0,1,0,0|0,0,2]=4 19751 B15R1.1957 CCCOC1CN(C1)CCCCCC=O 269982a_200020626125_100000139337 [0,1,0,1,0,0|2,0,0]=4 19752 B15R1.3965 C=CCCCCC(=O)C1CCCCC1C 1458a_100011215568_100011215482 [0,1,0,1,0,0|1,0,1]=4 19753 B15R1.3965 C=CCCCCN(C)C1CCCCC1C 270004a_100012000471_100000210921 [0,1,0,1,0,0|2,0,0]=4 19754 B15R1.3965 CCCCCCC(=O)C1CCCCC1=O 1458a_100102632555_100000204591 [0,1,0,1,0,0|0,0,1]=3 19755 B15R1.3965 CCCCCCC(=O)C1CCCNC1=O 1458a_100000087122_100000210757 [0,1,0,1,0,0|1,0,1]=4 19756 B15R1.3965 CCCCCCC(=O)C1CCCNC1=O 1458a_100102632555_100000687798 [0,1,0,1,0,0|1,0,1]=4 19757 B15R1.3965 CCCCCCC(=O)C1COCCC1=O 1458a_100102632555_100012180262 [0,1,0,1,0,0|1,0,1]=4 19758 B15R1.3965 CCCCCCN(C)C1CCCCC1=O 269982a_106256046315_100000204591 [0,1,0,1,0,0|1,0,0]=3 19759 B15R1.3965 CCCCCCN(C)C1CCCNC1=O 2230a_106256046315_100000687798 [0,1,0,1,0,0|2,0,0]=4 19760 B15R1.3965 CCCCCCN(C)C1CCCNC1=O 269982a_106256046315_100000687798 [0,1,0,1,0,0|2,0,0]=4 19761 B15R1.3965 CCCCOCC(=O)C1CCCCC1=O 1458a_100000757543_100000204591 [0,1,0,1,0,0|1,0,1]=4 19762 B15R1.3965 CCCCSCC(=O)C1CCCCC1=O 1458a_100000191162_100000204591 [0,1,0,1,0,0|1,0,1]=4 19763 B15R1.3965 CN(CCCCC=O)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000139335 [0,1,0,1,0,0|2,0,0]=4 19764 B15R1.3965 CN(CCCCCO)C1CCCCC1=O 269982a_100000722520_100000204591 [0,1,0,1,0,0|2,0,0]=4 19765 B15R1.3965 O=C(CCCCCO)C1CCCCC1=O 1458a_100102619762_100000204591 [0,1,0,1,0,0|1,0,1]=4 19766 B15R1.3967 CCCCCCC(=O)CCC1CCC1=O 1458a_100102632555_200016118888 [0,1,0,1,0,0|0,0,1]=3 19767 B15R1.3967 CCCCCCN(C)CCC1CCC1=O 2230a_106256046315_200016118888 [0,1,0,1,0,0|1,0,0]=3 19768 B15R1.3967 CCCCCCN(C)CCC1CCC1=O 269982a_106256046315_200016118888 [0,1,0,1,0,0|1,0,0]=3 19769 B15R1.3967 CCCCOCC(=O)CCC1CCC1=O 1458a_100000757543_200016118888 [0,1,0,1,0,0|1,0,1]=4 19770 B15R1.3967 CCCCSCC(=O)CCC1CCC1=O 1458a_100000191162_200016118888 [0,1,0,1,0,0|1,0,1]=4 19771 B15R1.3967 CN(CCCCCO)CCC1CCC1=O 2230a_100000722520_200016118888 [0,1,0,1,0,0|2,0,0]=4 19772 B15R1.3967 CN(CCCCCO)CCC1CCC1=O 269982a_100000722520_200016118888 [0,1,0,1,0,0|2,0,0]=4 19773 B15R1.3967 O=C(CCCCCO)CCC1CCC1=O 1458a_100102619762_200016118888 [0,1,0,1,0,0|1,0,1]=4 19774 B15R1.3972 C=CCCCCN(C)C1CCCC1CC 270004a_100012000471_100000749056 [0,1,0,1,0,0|2,0,0]=4 19775 B15R1.3974 CCCCCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210757 [0,1,0,1,0,0|1,0,1]=4 19776 B15R1.3974 CCCCCCC(C)NC1CCCC1=O 2230a_100000210919_100000211823 [0,1,0,1,0,0|1,0,0]=3 19777 B15R1.3974 CCCCCCC(C)NC1CCCC1=O 34a_100000210919_100000709159 [0,1,0,1,0,0|1,0,0]=3 19778 B15R1.3974 CCCCCCC(C)NC1CCNC1=O 2230a_100016995588_100011215978 [0,1,0,1,0,0|2,0,0]=4 19779 B15R1.3974 CCCCCCC(C)NC1CCNC1=O 270004a_100016995588_100000210826 [0,1,0,1,0,0|2,0,0]=4 19780 B15R1.3974 CCCCCCC(C)NC1CCNC1=O 34a_100016995588_100011215978 [0,1,0,1,0,0|2,0,0]=4 19781 B15R1.3974 CCCCCCC(C)NC1CCOC1=O 2230a_100000210919_100000211211 [0,1,0,1,0,0|2,0,0]=4 19782 B15R1.3974 CCCCCCC(C)NC1CCOC1=O 34a_100000210919_100000211211 [0,1,0,1,0,0|2,0,0]=4 19783 B15R1.3974 CCCCCCC(C)OC1CCCC1=O 34a_100000210265_100000709159 [0,1,0,1,0,0|1,0,0]=3 19784 B15R1.3974 CCCCCCC(C)OC1CCCC1=O 34a_200000719330_100011215978 [0,1,0,1,0,0|1,0,0]=3 19785 B15R1.3974 CCCCCCC(C)OC1CCCC1=O 7a_100000210265_100000211823 [0,1,0,1,0,0|1,0,0]=3 19786 B15R1.3974 CCCCCCC(C)OC1CCOC1=O 34a_100000210265_100000211211 [0,1,0,1,0,0|2,0,0]=4 19787 B15R1.3974 CCCCCCC(C)OC1CCOC1=O 7a_100000210265_100000211211 [0,1,0,1,0,0|2,0,0]=4 19788 B15R1.3974 CCCCCCC(C)O[C@H]1CCNC1=O 34a_100000688343_100011215978 [0,1,0,1,0,0|2,0,0]=4 19789 B15R1.3974 CCCCCCC(C)SC1CCCC1=O 62a_100000211823_100011215978 [0,1,0,1,0,0|1,0,0]=3 19790 B15R1.3974 CCCCCCC(C)SC1CCCC1=O 62a_100011215978_100000211823 [0,1,0,1,0,0|1,0,0]=3 19791 B15R1.3974 CCCCCCC(C)SC1CCOC1=O 62a_100000211211_100011215978 [0,1,0,1,0,0|2,0,0]=4 19792 B15R1.3974 CCCCCCC(C)SC1CCOC1=O 62a_100011215978_100000211211 [0,1,0,1,0,0|2,0,0]=4 19793 B15R1.3974 CCCCCCN(C)CN1CCCC1=O 269982a_106256046315_100000026320 [0,1,0,1,0,0|2,0,0]=4 19794 B15R1.3974 CCCCOCC(C)OC1CCCC1=O 34a_100011217071_100000709159 [0,1,0,1,0,0|2,0,0]=4 19795 B15R1.3974 CCCCOCC(C)OC1CCCC1=O 7a_100011217071_100000211823 [0,1,0,1,0,0|2,0,0]=4 19796 B15R1.4163 C=CCCCCNC1CCC(C1)CCC 270004a_100000703577_200012087856 [0,1,0,1,0,0|2,0,0]=4 19797 B15R1.4163 CCO[C@H]1CCN(C1)CCCCCC=O 2230a_100011787710_100000139337 [0,1,0,1,0,0|2,0,0]=4 19798 B15R1.4163 CCO[C@H]1CCN(C1)CCCCCC=O 269982a_100011787710_100000139337 [0,1,0,1,0,0|2,0,0]=4 19799 B15R1.4163 COCC1CCN(C1)CCCCCC=O 2230a_100025706693_100000139337 [0,1,0,1,0,0|2,0,0]=4 19800 B15R1.4163 COCC1CCN(C1)CCCCCC=O 269982a_100025706693_100000139337 [0,1,0,1,0,0|2,0,0]=4 19801 B15R1.4163 O=CCCCCCN1CCC(C1)CCO 2230a_100016987287_100000139337 [0,1,0,1,0,0|2,0,0]=4 19802 B15R1.4163 O=CCCCCCN1CCC(C1)CCO 269982a_100016987287_100000139337 [0,1,0,1,0,0|2,0,0]=4 19803 B15R1.5906 C=CCCCCCC(=O)C1CCCC1C 1458a_100000690547_100000700193 [0,1,0,1,0,0|1,0,1]=4 19804 B15R1.5906 CCCCCCCC(=O)C1CCCC1=O 1458a_100000211969_100000211823 [0,1,0,1,0,0|0,0,1]=3 19805 B15R1.5906 CCCCCCCC(=O)C1CCOC1=O 1458a_100000211969_100000211211 [0,1,0,1,0,0|1,0,1]=4 19806 B15R1.5906 CCCCCCCN(C)C1CCCC1=O 2230a_100000228206_100000211823 [0,1,0,1,0,0|1,0,0]=3 19807 B15R1.5906 CCCCCCCN(C)C1CCCC1=O 269982a_100000228206_100000211823 [0,1,0,1,0,0|1,0,0]=3 19808 B15R1.5906 CCCCCCCN(C)C1CCOC1=O 2230a_100000228206_100000211211 [0,1,0,1,0,0|2,0,0]=4 19809 B15R1.5906 CCCCCCCN(C)C1CCOC1=O 269982a_100000228206_100000211211 [0,1,0,1,0,0|2,0,0]=4 19810 B15R1.5906 COCCCCCC(=O)C1CCCC1=O 1458a_100011935119_100000211823 [0,1,0,1,0,0|1,0,1]=4 19811 B15R1.5906 O=C(CCCCCCO)C1CCCC1=O 1458a_100011996774_100000211823 [0,1,0,1,0,0|1,0,1]=4 19812 B15R1.9592 CCCCCCCC(C)OC1CCC1=O 34a_200011215852_100009892977 [0,1,0,1,0,0|1,0,0]=3 19813 B15R1.9592 CCCCCCCC(C)OC1CCC1=O 7a_200011215852_100009892977 [0,1,0,1,0,0|1,0,0]=3 19814 B15R1.9592 CCCCCCCC(C)SC1CCC1=O 62a_100009892977_200011218727 [0,1,0,1,0,0|1,0,0]=3 19815 B15R1.9592 CCCCCCCC(C)SC1CCC1=O 62a_200011218727_100009892977 [0,1,0,1,0,0|1,0,0]=3 19816 B15R1.11854 C#CCCCCN1CCCCCCCC1 2230a_100000039187_100010269958 [0,1,0,1,0,0|1,0,1]=4 19817 B15R1.11854 C#CCCCCN1CCCCCCCC1 269982a_100000039187_100010269958 [0,1,0,1,0,0|1,0,1]=4 19818 B15R1.11854 C#CCCCCN1CCCCCCCC1 34a_100000039187_100010269958 [0,1,0,1,0,0|1,0,1]=4 19819 B15R1.11854 C#CCCCNC1CCCCCCCC1 270004a_100000718082_100000038600 [0,1,0,1,0,0|1,0,1]=4 19820 B15R1.11854 C=CCCCCN1CCCCCCCC1 2230a_100000039187_100011215482 [0,1,0,1,0,0|1,0,0]=3 19821 B15R1.11854 C=CCCCCN1CCCCCCCC1 269982a_100000039187_100011215482 [0,1,0,1,0,0|1,0,0]=3 19822 B15R1.11854 C=CCCCCN1CCCCCCCC1 34a_100000039187_100011215482 [0,1,0,1,0,0|1,0,0]=3 19823 B15R1.11854 C=CCCCNC1CCCCCCCC1 270004a_100000700776_100000038600 [0,1,0,1,0,0|1,0,0]=3 19824 B15R1.11854 CCCCCCN1CCCCCCCC1 2230a_100000039187_100000210314 [0,1,0,1,0,0|1,0,1]=4 19825 B15R1.11854 CCCCCCN1CCCCCCCC1 269982a_100000039187_100000210757 [0,1,0,1,0,0|1,0,1]=4 19826 B15R1.11854 CCCCCCN1CCCCCCCC1 34a_100000039187_100000210314 [0,1,0,1,0,0|1,0,1]=4 19827 B15R1.11854 CCCCCNC1CCCCCCCC1 270004a_100000209983_100000038600 [0,1,0,1,0,0|1,0,1]=4 19828 B15R1.11854 COCCCCN1CCCCCCCC1 2230a_100000039187_100000730899 [0,1,0,1,0,0|2,0,0]=4 19829 B15R1.11854 COCCCCN1CCCCCCCC1 269982a_100000039187_100000730899 [0,1,0,1,0,0|2,0,0]=4 19830 B15R1.11854 COCCCCN1CCCCCCCC1 34a_100000039187_100000755781 [0,1,0,1,0,0|2,0,0]=4 19831 B15R1.11854 COCCCNC1CCCCCCCC1 270004a_100150723488_100000038600 [0,1,0,1,0,0|2,0,0]=4 19832 B15R1.11854 CSCCCNC1CCCCCCCC1 270004a_100000749238_100000038600 [0,1,0,1,0,0|2,0,0]=4 19833 B15R1.11854 FCCCCCN1CCCCCCCC1 2230a_100000039187_100000729378 [0,1,0,1,0,0|1,0,1]=4 19834 B15R1.11854 FCCCCCN1CCCCCCCC1 269982a_100000039187_100000729378 [0,1,0,1,0,0|1,0,1]=4 19835 B15R1.11854 FCCCCCN1CCCCCCCC1 34a_100000039187_100000729378 [0,1,0,1,0,0|1,0,1]=4 19836 B15R1.11854 N#CCCCCN1CCCCCCCC1 2230a_100000039187_100000211819 [0,1,0,1,0,0|1,0,1]=4 19837 B15R1.11854 N#CCCCCN1CCCCCCCC1 269982a_100000039187_100011219923 [0,1,0,1,0,0|1,0,1]=4 19838 B15R1.11854 O=CCCCCN1CCCCCCCC1 2230a_100000039187_100000139335 [0,1,0,1,0,0|0,0,0]=2 19839 B15R1.11854 O=CCCCCN1CCCCCCCC1 269982a_100000039187_100000139335 [0,1,0,1,0,0|0,0,0]=2 19840 B15R1.11854 OCCCCCN1CCCCCCCC1 2230a_100000039187_100000746330 [0,1,0,1,0,0|0,0,2]=4 19841 B15R1.11854 OCCCCCN1CCCCCCCC1 269982a_100000039187_100000746330 [0,1,0,1,0,0|0,0,2]=4 19842 B15R1.11854 OCCCCCN1CCCCCCCC1 34a_100000039187_100000746330 [0,1,0,1,0,0|0,0,2]=4 19843 B15R1.11854 OCCCCNC1CCCCCCCC1 270004a_100000750430_100000038600 [0,1,0,1,0,0|0,0,2]=4 19844 B15R1.12031 C=CCCCCNC1CCCC(C1)CC 270004a_100000703577_100000756783 [0,1,0,1,0,0|2,0,0]=4 19845 B15R1.12031 C=CCCCCOC1CCCC(C1)CC 7a_100011985506_100011215482 [0,1,0,1,0,0|2,0,0]=4 19846 B15R1.12031 CCC1CCCC(C1)OCCCCC=O 7a_100011985506_100000139335 [0,1,0,1,0,0|1,0,0]=3 19847 B15R1.12031 CCC1CN(CCO1)CCCCCC=O 2230a_100000736320_100000139337 [0,1,0,1,0,0|2,0,0]=4 19848 B15R1.12031 CCC1CN(CCO1)CCCCCC=O 269982a_100000736320_100000139337 [0,1,0,1,0,0|2,0,0]=4 19849 B15R1.12031 CCN1CCCC(C1)CNCCCC=O 2230a_100000747413_200011292268 [0,1,0,1,0,0|2,0,0]=4 19850 B15R1.12031 CCN1CCCC(C1)COCCCC=O 7a_200000227639_200011292268 [0,1,0,1,0,0|2,0,0]=4 19851 B15R1.12031 CCN1CCC[C@H](C1)NCCCCC=O 2230a_100025775482_100000139335 [0,1,0,1,0,0|2,0,0]=4 19852 B15R1.12031 COC1CCCN(C1)CCCCCC=O 2230a_100000695604_100000139337 [0,1,0,1,0,0|2,0,0]=4 19853 B15R1.12031 COC1CCCN(C1)CCCCCC=O 269982a_100000695604_100000139337 [0,1,0,1,0,0|2,0,0]=4 19854 B15R1.12031 O=CCCCCCN1CCCC(C1)CF 2230a_100016992999_100000139337 [0,1,0,1,0,0|2,0,0]=4 19855 B15R1.12031 O=CCCCCCN1CCCC(C1)CF 269982a_100016992999_100000139337 [0,1,0,1,0,0|2,0,0]=4 19856 B15R1.12031 O=CCCCCCN1CCCC(C1)CO 2230a_100000211344_100000139337 [0,1,0,1,0,0|2,0,0]=4 19857 B15R1.12031 O=CCCCCCN1CCCC(C1)CO 269982a_100000211344_100000139337 [0,1,0,1,0,0|2,0,0]=4 19858 B15R1.17001 C=CCCCCC(=O)C1CCCCCC1 1458a_100000749507_100011215482 [0,1,0,1,0,0|1,0,1]=4 19859 B15R1.17001 C=CCCCCC(=O)C1CCCCCC1 1458a_100011215552_100011217769 [0,1,0,1,0,0|1,0,1]=4 19860 B15R1.17001 C=CCCCCN(C)C1CCCCCC1 2230a_100015185097_100011215482 [0,1,0,1,0,0|2,0,0]=4 19861 B15R1.17001 C=CCCCCN(C)C1CCCCCC1 269982a_100012000471_100011217769 [0,1,0,1,0,0|2,0,0]=4 19862 B15R1.17001 C=CCCCCN(C)C1CCCCCC1 269982a_100015185097_100011215482 [0,1,0,1,0,0|2,0,0]=4 19863 B15R1.17001 C=CCCCCN(C)C1CCCCCC1 270004a_100012000471_100000210131 [0,1,0,1,0,0|2,0,0]=4 19864 B15R1.17001 C=CCCCCN(C)C1CCCCCC1 34a_100015185097_100011215482 [0,1,0,1,0,0|2,0,0]=4 19865 B15R1.17001 CN(CCCCC=O)C1CCCCCC1 2230a_100015185097_100000139335 [0,1,0,1,0,0|1,0,0]=3 19866 B15R1.17001 CN(CCCCC=O)C1CCCCCC1 269982a_100015185097_100000139335 [0,1,0,1,0,0|1,0,0]=3 19867 B15R1.44673 C=CCCCCNC1(CCCCCC1)C 2230a_100000704638_100011215482 [0,1,0,1,0,0|2,0,0]=4 19868 B15R1.44673 C=CCCCCNC1(CCCCCC1)C 34a_100000704638_100011215482 [0,1,0,1,0,0|2,0,0]=4 19869 B15R1.44673 C=CCCCCOC1(CCCCCC1)C 34a_100000708895_100011215482 [0,1,0,1,0,0|2,0,0]=4 19870 B15R1.44673 C=CCCCCOC1(CCCCCC1)C 7a_100000708895_100011215482 [0,1,0,1,0,0|2,0,0]=4 19871 B15R1.44673 CC1(CCCCCC1)NCCCCC=O 2230a_100000704638_100000139335 [0,1,0,1,0,0|1,0,0]=3 19872 B15R1.44673 CC1(CCCCCC1)OCCCCC=O 7a_100000708895_100000139335 [0,1,0,1,0,0|1,0,0]=3 19873 B15R1.52 C#CCCCCOC1CCCCCC1=O 7a_100000766709_100000243696 [0,1,0,1,0,0|0,0,2]=4 19874 B15R1.52 C#CCCCCSC1CCCCCC1=O 62a_100000243696_100010269958 [0,1,0,1,0,0|0,0,2]=4 19875 B15R1.52 C#CCCCCSC1CCCCCC1=O 62a_100010269958_100000243696 [0,1,0,1,0,0|0,0,2]=4 19876 B15R1.52 C=CCCCCOC1CCCCCC1=O 7a_100000766645_100000243696 [0,1,0,1,0,0|0,0,2]=4 19877 B15R1.52 C=CCCCCSC1CCCCCC1=O 62a_100000243696_100011215482 [0,1,0,1,0,0|0,0,2]=4 19878 B15R1.52 C=CCCCCSC1CCCCCC1=O 62a_100011215482_100000243696 [0,1,0,1,0,0|0,0,2]=4 19879 B15R1.52 CC/C=C\CCOC1CCCCCC1=O 7a_100016288707_100000243696 [0,1,0,1,0,0|0,0,2]=4 19880 B15R1.52 CC/C=C\CCSC1CCCCCC1=O 62a_100000243696_100015370543 [0,1,0,1,0,0|0,0,2]=4 19881 B15R1.52 CC/C=C\CCSC1CCCCCC1=O 62a_100015370543_100000243696 [0,1,0,1,0,0|0,0,2]=4 19882 B15R1.52 CCC#CCCOC1CCCCCC1=O 7a_100000036655_100000243696 [0,1,0,1,0,0|0,0,2]=4 19883 B15R1.52 CCC/C=C/COC1CCCCCC1=O 7a_100016278788_100000243696 [0,1,0,1,0,0|0,0,2]=4 19884 B15R1.52 CCCC#CCOC1CCCCCC1=O 7a_100000034806_100000243696 [0,1,0,1,0,0|0,0,2]=4 19885 B15R1.52 CCCCCCNC1CCCCNC1=O 2230a_100000210581_100000735217 [0,1,0,1,0,0|1,0,0]=3 19886 B15R1.52 CCCCCCNC1CCCCNC1=O 2230a_100000698827_100000210314 [0,1,0,1,0,0|1,0,0]=3 19887 B15R1.52 CCCCCCNC1CCCCNC1=O 34a_100000698827_100000210314 [0,1,0,1,0,0|1,0,0]=3 19888 B15R1.52 CCCCCCOC1CCCCCC1=O 7a_100000210259_100000243696 [0,1,0,1,0,0|0,0,0]=2 19889 B15R1.52 CCCCCCOC1CCCCNC1=O 7a_100000210259_100000735217 [0,1,0,1,0,0|1,0,0]=3 19890 B15R1.52 CCCCCCSC1CCCCCC1=O 62a_100000210314_100000243696 [0,1,0,1,0,0|0,0,0]=2 19891 B15R1.52 CCCCCCSC1CCCCCC1=O 62a_100000243696_100000210757 [0,1,0,1,0,0|0,0,0]=2 19892 B15R1.52 CCCCCCSC1CCCCNC1=O 62a_100000210314_100000735217 [0,1,0,1,0,0|1,0,0]=3 19893 B15R1.52 CCCCCCSC1CCCCNC1=O 62a_100000735217_100000210757 [0,1,0,1,0,0|1,0,0]=3 19894 B15R1.52 CCCCOCNC1CCCCNC1=O 2230a_100000698827_100011995733 [0,1,0,1,0,0|2,0,0]=4 19895 B15R1.52 CCCCOCNC1CCCCNC1=O 34a_100000698827_100011995733 [0,1,0,1,0,0|2,0,0]=4 19896 B15R1.52 CCCCOCSC1CCCCCC1=O 62a_100000243696_100011995733 [0,1,0,1,0,0|1,0,0]=3 19897 B15R1.52 CCCCOCSC1CCCCCC1=O 62a_100011995733_100000243696 [0,1,0,1,0,0|1,0,0]=3 19898 B15R1.52 CCCCOCSC1CCCCNC1=O 62a_100000735217_100011995733 [0,1,0,1,0,0|2,0,0]=4 19899 B15R1.52 CCCCOCSC1CCCCNC1=O 62a_100011995733_100000735217 [0,1,0,1,0,0|2,0,0]=4 19900 B15R1.52 CCCNCCCN1CCCCCC1=O 2230a_100000195386_100000210303 [0,1,0,1,0,0|1,0,0]=3 19901 B15R1.52 CCCNCCCN1CCCCCC1=O 34a_100000195386_100000210303 [0,1,0,1,0,0|1,0,0]=3 19902 B15R1.52 CCCOCCNC1CCCCNC1=O 2230a_100000698827_100011215938 [0,1,0,1,0,0|2,0,0]=4 19903 B15R1.52 CCCOCCNC1CCCCNC1=O 2230a_100161115042_100000735217 [0,1,0,1,0,0|2,0,0]=4 19904 B15R1.52 CCCOCCNC1CCCCNC1=O 34a_100000698827_100011215938 [0,1,0,1,0,0|2,0,0]=4 19905 B15R1.52 CCCOCCOC1CCCCCC1=O 7a_100000752267_100000243696 [0,1,0,1,0,0|1,0,0]=3 19906 B15R1.52 CCCOCCOC1CCCCNC1=O 7a_100000752267_100000735217 [0,1,0,1,0,0|2,0,0]=4 19907 B15R1.52 CCCOCCSC1CCCCCC1=O 62a_100000243696_100011215938 [0,1,0,1,0,0|1,0,0]=3 19908 B15R1.52 CCCOCCSC1CCCCCC1=O 62a_100011215938_100000243696 [0,1,0,1,0,0|1,0,0]=3 19909 B15R1.52 CCCOCCSC1CCCCNC1=O 62a_100000735217_100011215938 [0,1,0,1,0,0|2,0,0]=4 19910 B15R1.52 CCCOCCSC1CCCCNC1=O 62a_100011215938_100000735217 [0,1,0,1,0,0|2,0,0]=4 19911 B15R1.52 CCCSCCNC1CCCCNC1=O 2230a_100020603323_100000735217 [0,1,0,1,0,0|2,0,0]=4 19912 B15R1.52 CCCSCCOC1CCCCCC1=O 7a_200000230433_100000243696 [0,1,0,1,0,0|1,0,0]=3 19913 B15R1.52 CCCSCCOC1CCCCNC1=O 7a_200000230433_100000735217 [0,1,0,1,0,0|2,0,0]=4 19914 B15R1.52 CCOCCCNC1CCCCNC1=O 2230a_100000210961_100000735217 [0,1,0,1,0,0|2,0,0]=4 19915 B15R1.52 CCOCCCNC1CCCCNC1=O 2230a_100000698827_100012232248 [0,1,0,1,0,0|2,0,0]=4 19916 B15R1.52 CCOCCCNC1CCCCNC1=O 34a_100000698827_100012232248 [0,1,0,1,0,0|2,0,0]=4 19917 B15R1.52 CCOCCCOC1CCCCCC1=O 7a_100000757476_100000243696 [0,1,0,1,0,0|1,0,0]=3 19918 B15R1.52 CCOCCCOC1CCCCNC1=O 7a_100000757476_100000735217 [0,1,0,1,0,0|2,0,0]=4 19919 B15R1.52 CCOCCCSC1CCCCCC1=O 62a_100000243696_100012232248 [0,1,0,1,0,0|1,0,0]=3 19920 B15R1.52 CCOCCCSC1CCCCCC1=O 62a_100012232248_100000243696 [0,1,0,1,0,0|1,0,0]=3 19921 B15R1.52 CCOCCCSC1CCCCNC1=O 62a_100000735217_100012232248 [0,1,0,1,0,0|2,0,0]=4 19922 B15R1.52 CCOCCCSC1CCCCNC1=O 62a_100012232248_100000735217 [0,1,0,1,0,0|2,0,0]=4 19923 B15R1.52 CCSCCCOC1CCCCCC1=O 7a_100011216438_100000243696 [0,1,0,1,0,0|1,0,0]=3 19924 B15R1.52 CCSCCCOC1CCCCNC1=O 7a_100011216438_100000735217 [0,1,0,1,0,0|2,0,0]=4 19925 B15R1.52 COCCCCNC1CCCCNC1=O 2230a_100000698827_100000730899 [0,1,0,1,0,0|2,0,0]=4 19926 B15R1.52 COCCCCNC1CCCCNC1=O 34a_100000698827_100000755781 [0,1,0,1,0,0|2,0,0]=4 19927 B15R1.52 COCCCCSC1CCCCCC1=O 62a_100000243696_100000730899 [0,1,0,1,0,0|1,0,0]=3 19928 B15R1.52 COCCCCSC1CCCCCC1=O 62a_100000730899_100000243696 [0,1,0,1,0,0|1,0,0]=3 19929 B15R1.52 COCCCCSC1CCCCNC1=O 62a_100000730899_100000735217 [0,1,0,1,0,0|2,0,0]=4 19930 B15R1.52 COCCCCSC1CCCCNC1=O 62a_100000735217_100000730899 [0,1,0,1,0,0|2,0,0]=4 19931 B15R1.52 COCCOCSC1CCCCCC1=O 62a_100000231047_100000243696 [0,1,0,1,0,0|2,0,0]=4 19932 B15R1.52 COCCOCSC1CCCCCC1=O 62a_100000243696_100000231047 [0,1,0,1,0,0|2,0,0]=4 19933 B15R1.52 COCNCCCN1CCCCCC1=O 2230a_100000195386_100000766300 [0,1,0,1,0,0|2,0,0]=4 19934 B15R1.52 CSCCCCOC1CCCCCC1=O 7a_100011217163_100000243696 [0,1,0,1,0,0|1,0,0]=3 19935 B15R1.52 CSCCCCOC1CCCCNC1=O 7a_100011217163_100000735217 [0,1,0,1,0,0|2,0,0]=4 19936 B15R1.52 CSCNCCCN1CCCCCC1=O 2230a_100000195386_100011218213 [0,1,0,1,0,0|2,0,0]=4 19937 B15R1.52 CSCNCCCN1CCCCCC1=O 34a_100000195386_100011218213 [0,1,0,1,0,0|2,0,0]=4 19938 B15R1.52 N#CCCCCSC1CCCCCC1=O 62a_100000243696_100000211819 [0,1,0,1,0,0|1,0,1]=4 19939 B15R1.52 N#CCCCCSC1CCCCCC1=O 62a_100011219923_100000243696 [0,1,0,1,0,0|1,0,1]=4 19940 B15R1.52 O=C1CCCCCC1OCCCCCBr 7a_100000746331_100000243696 [0,1,0,1,0,0|1,0,0]=3 19941 B15R1.52 O=C1CCCCCC1OCCCCCCl 7a_100000746330_100000243696 [0,1,0,1,0,0|1,0,0]=3 19942 B15R1.52 O=C1CCCCCC1OCCCCCI 7a_200012148887_100000243696 [0,1,0,1,0,0|1,0,0]=3 19943 B15R1.52 O=C1CCCCCC1OCCOCCBr 7a_100000692535_100000243696 [0,1,0,1,0,0|2,0,0]=4 19944 B15R1.52 O=C1CCCCCC1OCCOCCCl 7a_100011215305_100000243696 [0,1,0,1,0,0|2,0,0]=4 19945 B15R1.52 O=C1CCCCCC1OCCOCCF 7a_200015357709_100000243696 [0,1,0,1,0,0|2,0,0]=4 19946 B15R1.52 O=C1CCCCCC1OCCOCCI 7a_100012149058_100000243696 [0,1,0,1,0,0|2,0,0]=4 19947 B15R1.52 O=C1CCCCCC1SCCCCCF 62a_100000243696_100000729378 [0,1,0,1,0,0|1,0,0]=3 19948 B15R1.52 O=C1CCCCCC1SCCCCCF 62a_100000729378_100000243696 [0,1,0,1,0,0|1,0,0]=3 19949 B15R1.52 O=C1CCCCCC1SCCCCCO 62a_100000243696_100000746330 [0,1,0,1,0,0|1,0,0]=3 19950 B15R1.52 O=C1CCCCCC1SCCCCCO 62a_100000746330_100000243696 [0,1,0,1,0,0|1,0,0]=3 19951 B15R1.52 O=C1CCCCCC1SCCOCCO 62a_100000243696_100011215305 [0,1,0,1,0,0|2,0,0]=4 19952 B15R1.52 O=C1CCCCCC1SCCOCCO 62a_100011215305_100000243696 [0,1,0,1,0,0|2,0,0]=4 19953 B15R1.52 O=C1CCCCCN1CCCNCCF 2230a_100000195386_100011217306 [0,1,0,1,0,0|2,0,0]=4 19954 B15R1.52 O=C1CCCCCN1CCCNCCF 34a_100000195386_100011217306 [0,1,0,1,0,0|2,0,0]=4 19955 B15R1.52 O=C1CCCCCN1CCCNCCO 2230a_100000195386_100000211926 [0,1,0,1,0,0|2,0,0]=4 19956 B15R1.52 O=C1CCCCCN1CCCNCCO 34a_100000195386_100000211926 [0,1,0,1,0,0|2,0,0]=4 19957 B15R1.52 O=C1NCCCCC1NCCCCCF 2230a_100000698827_100000729378 [0,1,0,1,0,0|2,0,0]=4 19958 B15R1.52 O=C1NCCCCC1NCCCCCF 34a_100000698827_100000729378 [0,1,0,1,0,0|2,0,0]=4 19959 B15R1.52 O=C1NCCCCC1NCCCCCO 2230a_100000698827_100000746330 [0,1,0,1,0,0|2,0,0]=4 19960 B15R1.52 O=C1NCCCCC1NCCCCCO 2230a_100000762737_100000735217 [0,1,0,1,0,0|2,0,0]=4 19961 B15R1.52 O=C1NCCCCC1NCCCCCO 34a_100000698827_100000746330 [0,1,0,1,0,0|2,0,0]=4 19962 B15R1.52 O=C1NCCCCC1OCCCCCBr 7a_100000746331_100000735217 [0,1,0,1,0,0|2,0,0]=4 19963 B15R1.52 O=C1NCCCCC1OCCCCCCl 7a_100000746330_100000735217 [0,1,0,1,0,0|2,0,0]=4 19964 B15R1.52 O=C1NCCCCC1OCCCCCI 7a_200012148887_100000735217 [0,1,0,1,0,0|2,0,0]=4 19965 B15R1.52 O=C1NCCCCC1SCCCCCF 62a_100000729378_100000735217 [0,1,0,1,0,0|2,0,0]=4 19966 B15R1.52 O=C1NCCCCC1SCCCCCF 62a_100000735217_100000729378 [0,1,0,1,0,0|2,0,0]=4 19967 B15R1.52 O=C1NCCCCC1SCCCCCO 62a_100000735217_100000746330 [0,1,0,1,0,0|2,0,0]=4 19968 B15R1.52 O=C1NCCCCC1SCCCCCO 62a_100000746330_100000735217 [0,1,0,1,0,0|2,0,0]=4 19969 B15R1.52 O=CCCCCSC1CCCCCC1=O 62a_100000139335_100000243696 [0,1,0,1,0,0|1,0,1]=4 19970 B15R1.52 O=CCCCCSC1CCCCCC1=O 62a_100000243696_100000139335 [0,1,0,1,0,0|1,0,1]=4 19971 B15R1.78 C=CCCCC(=O)CCC1CCCCC1 1458a_100000211375_100000757094 [0,1,0,1,0,0|1,0,1]=4 19972 B15R1.78 C=CCCCC(=O)CCC1CCCCC1 1458a_100000766728_100011273959 [0,1,0,1,0,0|1,0,1]=4 19973 B15R1.78 CN(CCCC=O)CCC1CCCCO1 2230a_100015183322_200011292268 [0,1,0,1,0,0|2,0,0]=4 19974 B15R1.78 CN(CCCC=O)CCC1CCCCO1 269982a_100015183322_200011292268 [0,1,0,1,0,0|2,0,0]=4 19975 B15R1.96 C=CCCCCCCC(=O)C1CCCC1 1458a_100000210718_100011215473 [0,1,0,1,0,0|1,0,1]=4 19976 B15R1.96 C=CCCCCCCC(=O)C1CCCC1 1458a_100011809334_100000179811 [0,1,0,1,0,0|1,0,1]=4 19977 B15R1.96 C=CCCCCCCN(C)C1CCCC1 2230a_100000207505_100011215473 [0,1,0,1,0,0|2,0,0]=4 19978 B15R1.96 C=CCCCCCCN(C)C1CCCC1 269982a_100000207505_100011215473 [0,1,0,1,0,0|2,0,0]=4 19979 B15R1.96 C=CCCCCCCN(C)C1CCCC1 34a_100000207505_100011215473 [0,1,0,1,0,0|2,0,0]=4 19980 B15R1.96 C=CCCCCCNC(C)C1CCCC1 2230a_100015185923_100000700193 [0,1,0,1,0,0|2,0,0]=4 19981 B15R1.96 C=CCCCCCNC(C)C1CCCC1 34a_100015185923_100000700193 [0,1,0,1,0,0|2,0,0]=4 19982 B15R1.96 C=CCCCCCOC(C)C1CCCC1 34a_100011216366_100000700193 [0,1,0,1,0,0|2,0,0]=4 19983 B15R1.96 C=CCCCCCOC(C)C1CCCC1 7a_100011216366_100000700193 [0,1,0,1,0,0|2,0,0]=4 19984 B15R1.96 CC(CCOCCCC=O)N1CCCC1 7a_100011935070_200011292268 [0,1,0,1,0,0|2,0,0]=4 19985 B15R1.96 CC(CSCCCCC=O)N1CCCC1 62a_100000139335_200015187269 [0,1,0,1,0,0|2,0,0]=4 19986 B15R1.96 CC(CSCCCCC=O)N1CCCC1 62a_200015187269_100000139335 [0,1,0,1,0,0|2,0,0]=4 19987 B15R1.96 CC(NCCCCCC=O)C1CCCC1 2230a_100015185923_100000139337 [0,1,0,1,0,0|1,0,0]=3 19988 B15R1.96 CC(NCCCCCC=O)C1CCCO1 2230a_100025754208_100000139337 [0,1,0,1,0,0|2,0,0]=4 19989 B15R1.96 CC(OCCCCCC=O)C1CCCC1 7a_100011216366_100000139337 [0,1,0,1,0,0|1,0,0]=3 19990 B15R1.106 C=CCCCCCCN1CCCC(C1)F 2230a_100000697950_100011215473 [0,1,0,1,0,0|2,0,0]=4 19991 B15R1.106 C=CCCCCCCN1CCCC(C1)F 269982a_100000697950_100011215473 [0,1,0,1,0,0|2,0,0]=4 19992 B15R1.106 C=CCCCCCCN1CCCC(C1)F 34a_100000697950_100011215473 [0,1,0,1,0,0|2,0,0]=4 19993 B15R1.106 C=CCCCCCCN1CCCC(C1)O 2230a_100000211013_100011215473 [0,1,0,1,0,0|2,0,0]=4 19994 B15R1.106 C=CCCCCCCN1CCCC(C1)O 269982a_100000211013_100011215473 [0,1,0,1,0,0|2,0,0]=4 19995 B15R1.106 C=CCCCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100011215473 [0,1,0,1,0,0|2,0,0]=4 19996 B15R1.106 C=CCCCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100011215473 [0,1,0,1,0,0|2,0,0]=4 19997 B15R1.106 C=CCCCCCCN1CCC[C@@H](C1)C 34a_100000717927_100011215473 [0,1,0,1,0,0|2,0,0]=4 19998 B15R1.106 C=CCCCCCNC1CCCC(C1)C 2230a_100011194320_100000700193 [0,1,0,1,0,0|2,0,0]=4 19999 B15R1.106 C=CCCCCCNC1CCCC(C1)C 34a_100011194320_100000700193 [0,1,0,1,0,0|2,0,0]=4 20000 B15R1.106 C=CCCCCCNC1CCCC(C1)O 2230a_100015190357_100000700193 [0,1,0,1,0,0|2,0,0]=4 20001 B15R1.106 C=CCCCCCOC1CCCC(C1)C 34a_100000211399_100000700193 [0,1,0,1,0,0|2,0,0]=4 20002 B15R1.106 C=CCCCCNCC1CCCC(C1)O 2230a_100011254705_100011215482 [0,1,0,1,0,0|2,0,0]=4 20003 B15R1.106 CC1CC(CCO1)OCCCCCC=O 7a_100011986385_100000139337 [0,1,0,1,0,0|2,0,0]=4 20004 B15R1.106 CC1CCCC(C1)NCCCCCC=O 2230a_100011194320_100000139337 [0,1,0,1,0,0|1,0,0]=3 20005 B15R1.106 CC1CCCN(C1)CCNCCCC=O 2230a_100000739826_200011292268 [0,1,0,1,0,0|2,0,0]=4 20006 B15R1.106 CC1CCCN(C1)CCSCCCC=O 62a_200011292268_100000766211 [0,1,0,1,0,0|2,0,0]=4 20007 B15R1.106 CCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210759 [0,1,0,1,0,0|2,0,0]=4 20008 B15R1.106 CCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210759 [0,1,0,1,0,0|2,0,0]=4 20009 B15R1.106 CCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210681 [0,1,0,1,0,0|2,0,0]=4 20010 B15R1.106 CCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210614 [0,1,0,1,0,0|2,0,0]=4 20011 B15R1.106 CCCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210614 [0,1,0,1,0,0|2,0,0]=4 20012 B15R1.106 CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210614 [0,1,0,1,0,0|1,0,0]=3 20013 B15R1.106 CCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210614 [0,1,0,1,0,0|2,0,0]=4 20014 B15R1.106 CCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210314 [0,1,0,1,0,0|1,0,0]=3 20015 B15R1.106 CCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210314 [0,1,0,1,0,0|2,0,0]=4 20016 B15R1.106 CCCCCCOCC1COCC(=O)N1 34a_200000101122_100000210314 [0,1,0,1,0,0|2,0,0]=4 20017 B15R1.106 CCCCOCCOC1CCCC(=O)C1 34a_100012613340_100000743108 [0,1,0,1,0,0|2,0,0]=4 20018 B15R1.106 CCCCOCOCC1CCCC(=O)N1 34a_200000102386_100011995733 [0,1,0,1,0,0|2,0,0]=4 20019 B15R1.106 CCCOCCOCC1CCCC(=O)N1 34a_200000102386_100011215938 [0,1,0,1,0,0|2,0,0]=4 20020 B15R1.106 CCOCCCOCC1CCCC(=O)N1 34a_200000102386_100012232248 [0,1,0,1,0,0|2,0,0]=4 20021 B15R1.106 CN1CCCC(C1)CSCCCCC=O 62a_100000139335_100000752043 [0,1,0,1,0,0|2,0,0]=4 20022 B15R1.106 CN1CCCC(C1)CSCCCCC=O 62a_100000752043_100000139335 [0,1,0,1,0,0|2,0,0]=4 20023 B15R1.106 COCCCCOCC1CCCC(=O)N1 34a_200000102386_100000755781 [0,1,0,1,0,0|2,0,0]=4 20024 B15R1.106 O=C1CCCC(C1)OCCCCCCF 34a_100012613340_100015922095 [0,1,0,1,0,0|2,0,0]=4 20025 B15R1.106 O=C1CCCC(C1)OCCCCCCO 34a_100012613340_100000766143 [0,1,0,1,0,0|2,0,0]=4 20026 B15R1.106 O=C1CCCC(N1)COCCCCCF 34a_200000102386_100000729378 [0,1,0,1,0,0|2,0,0]=4 20027 B15R1.106 O=C1CCCC(N1)COCCCCCO 34a_200000102386_100000746330 [0,1,0,1,0,0|2,0,0]=4 20028 B15R1.106 O=CCCCCCNC1CCCC(C1)O 2230a_100015190357_100000139337 [0,1,0,1,0,0|1,0,0]=3 20029 B15R1.106 O=CCCCCNCC1CCCC(C1)O 2230a_100011254705_100000139335 [0,1,0,1,0,0|1,0,0]=3 20030 B15R1.1164 CCCOCC1CCN(C1)CCCC=O 2230a_200011652792_200011292268 [0,1,0,1,0,0|2,0,0]=4 20031 B15R1.1164 CCCOCC1CCN(C1)CCCC=O 269982a_200011652792_200011292268 [0,1,0,1,0,0|2,0,0]=4 20032 B15R1.1181 CCCOC1CCCN(C1)CCCC=O 2230a_100000743837_200011292268 [0,1,0,1,0,0|2,0,0]=4 20033 B15R1.1181 CCCOC1CCCN(C1)CCCC=O 269982a_100000743837_200011292268 [0,1,0,1,0,0|2,0,0]=4 20034 B15R1.1181 COCCC1CCCN(C1)CCCC=O 2230a_100011653411_200011292268 [0,1,0,1,0,0|2,0,0]=4 20035 B15R1.1181 COCCC1CCCN(C1)CCCC=O 269982a_100011653411_200011292268 [0,1,0,1,0,0|2,0,0]=4 20036 B15R1.1181 O=CCCCN1CCCC(C1)CCCO 2230a_100150707839_200011292268 [0,1,0,1,0,0|2,0,0]=4 20037 B15R1.1181 O=CCCCN1CCCC(C1)CCCO 269982a_100150707839_200011292268 [0,1,0,1,0,0|2,0,0]=4 20038 B15R1.1376 C=CCCCC(=O)CCCC1CCCC1 1458a_100000766728_100011713738 [0,1,0,1,0,0|1,0,1]=4 20039 B15R1.1376 C=CCCCN(C)CCCC1CCCC1 2230a_100015186261_100011713584 [0,1,0,1,0,0|2,0,0]=4 20040 B15R1.1376 C=CCCCN(C)CCCC1CCCC1 269982a_100015186261_100000757094 [0,1,0,1,0,0|2,0,0]=4 20041 B15R1.1376 C=CCCCN(C)CCCC1CCCC1 34a_100015186261_100000757094 [0,1,0,1,0,0|2,0,0]=4 20042 B15R1.1376 CN(CCCC=O)CCCC1CCCC1 2230a_100015186261_200011292268 [0,1,0,1,0,0|1,0,0]=3 20043 B15R1.1376 CN(CCCC=O)CCCC1CCCC1 269982a_100015186261_200011292268 [0,1,0,1,0,0|1,0,0]=3 20044 B15R1.1376 CN(CCCC=O)CCCC1CCCO1 2230a_100011698863_200011292268 [0,1,0,1,0,0|2,0,0]=4 20045 B15R1.1376 CN(CCCC=O)CCCC1CCCO1 269982a_100011698863_200011292268 [0,1,0,1,0,0|2,0,0]=4 20046 B15R1.1376 CN(CCCC=O)CCCN1CCCC1 269982a_100000233079_200011292268 [0,1,0,1,0,0|2,0,0]=4 20047 B15R1.1378 CCCCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210326 [0,1,0,1,0,0|1,0,1]=4 20048 B15R1.1378 CCCCCC(=O)CCN1CCCC1=O 1458a_100000212188_100000742232 [0,1,0,1,0,0|1,0,1]=4 20049 B15R1.1378 CCCCCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210326 [0,1,0,1,0,0|1,0,1]=4 20050 B15R1.1378 CCCCCC(=O)COC1CCCC1=O 34a_200000719330_200012276598 [0,1,0,1,0,0|1,0,1]=4 20051 B15R1.1378 CCCCCC(=O)CSC1CCCC1=O 62a_100000211823_200012276598 [0,1,0,1,0,0|1,0,1]=4 20052 B15R1.1378 CCCCCC(=O)CSC1CCCC1=O 62a_200012276598_100000211823 [0,1,0,1,0,0|1,0,1]=4 20053 B15R1.1378 CCCCCC(C)OCC1CCNC1=O 34a_100000133458_200011218191 [0,1,0,1,0,0|2,0,0]=4 20054 B15R1.1378 CCCCCC(C)SCN1CCCC1=O 62a_100000026320_200011218191 [0,1,0,1,0,0|2,0,0]=4 20055 B15R1.1378 CCCCCC(C)SCN1CCCC1=O 62a_200011218191_100000026320 [0,1,0,1,0,0|2,0,0]=4 20056 B15R1.1378 CCCCCN(C)CCN1CCCC1=O 2230a_100000223495_100000739059 [0,1,0,1,0,0|2,0,0]=4 20057 B15R1.1378 CCCCCN(C)CCN1CCCC1=O 269982a_100000223495_100000739059 [0,1,0,1,0,0|2,0,0]=4 20058 B15R1.1378 NCCCC[C@H](N)COC1CCCC1=O 34a_100016993712_100000709159 [0,1,0,1,0,0|2,0,0]=4 20059 B15R1.1398 CCCCCC(C)NCCC1CCC1=O 2230a_100000211957_200016118888 [0,1,0,1,0,0|1,0,0]=3 20060 B15R1.1398 CCCCCC(C)OCCC1CCC1=O 7a_100011215632_200016118888 [0,1,0,1,0,0|1,0,0]=3 20061 B15R1.1398 CCCCCC(C)SCCC1CCC1=O 62a_200011218191_200016118888 [0,1,0,1,0,0|1,0,0]=3 20062 B15R1.1398 CCCCCC(C)SCCC1CCC1=O 62a_200016118888_200011218191 [0,1,0,1,0,0|1,0,0]=3 20063 B15R1.1398 COCCCC(C)OCCC1CCC1=O 7a_200011539412_200016118888 [0,1,0,1,0,0|2,0,0]=4 20064 B15R1.1401 CCCCCC(=O)C1CCCCCC1=O 1458a_100000212188_100000243696 [0,1,0,1,0,0|0,0,1]=3 20065 B15R1.1401 CCCCCC(=O)C1CCCCNC1=O 1458a_100000212188_100000735217 [0,1,0,1,0,0|1,0,1]=4 20066 B15R1.1401 CCCCCN(C)C1CCCCCC1=O 269982a_100000223495_100000243696 [0,1,0,1,0,0|1,0,0]=3 20067 B15R1.1401 CCCCCN(C)C1CCCCNC1=O 2230a_100000223495_100000735217 [0,1,0,1,0,0|2,0,0]=4 20068 B15R1.1401 CCCCCN(C)C1CCCCNC1=O 269982a_100000223495_100000735217 [0,1,0,1,0,0|2,0,0]=4 20069 B15R1.1401 CCCOCC(=O)C1CCCCCC1=O 1458a_100000745993_100000243696 [0,1,0,1,0,0|1,0,1]=4 20070 B15R1.1401 CCCSCC(=O)C1CCCCCC1=O 1458a_100000217233_100000243696 [0,1,0,1,0,0|1,0,1]=4 20071 B15R1.1401 CCOCCC(=O)C1CCCCCC1=O 1458a_100000749530_100000243696 [0,1,0,1,0,0|1,0,1]=4 20072 B15R1.1401 CCSCCC(=O)C1CCCCCC1=O 1458a_100000230768_100000243696 [0,1,0,1,0,0|1,0,1]=4 20073 B15R1.1401 CN(CCCCO)C1CCCCCC1=O 269982a_100000717598_100000243696 [0,1,0,1,0,0|2,0,0]=4 20074 B15R1.1401 COCCCC(=O)C1CCCCCC1=O 1458a_100000741012_100000243696 [0,1,0,1,0,0|1,0,1]=4 20075 B15R1.1401 COCCCN(C)C1CCCCCC1=O 269982a_100000224831_100000243696 [0,1,0,1,0,0|2,0,0]=4 20076 B15R1.1401 CSCCCC(=O)C1CCCCCC1=O 1458a_100000173376_100000243696 [0,1,0,1,0,0|1,0,1]=4 20077 B15R1.1401 O=C(CCCCO)C1CCCCCC1=O 1458a_100000695505_100000243696 [0,1,0,1,0,0|1,0,1]=4 20078 B15R1.1409 CCCCCC(C)NC1CCCNC1=O 2230a_100000211957_100000687798 [0,1,0,1,0,0|2,0,0]=4 20079 B15R1.1409 CCCCCC(C)NC1CCCNC1=O 2230a_100000747585_200011218191 [0,1,0,1,0,0|2,0,0]=4 20080 B15R1.1409 CCCCCC(C)NC1CCCNC1=O 270004a_100000747585_100000211708 [0,1,0,1,0,0|2,0,0]=4 20081 B15R1.1409 CCCCCC(C)NC1CCCNC1=O 34a_100000747585_200011218191 [0,1,0,1,0,0|2,0,0]=4 20082 B15R1.1409 CCCCCC(C)OC1CCCCC1=O 34a_100011214950_200011218191 [0,1,0,1,0,0|1,0,0]=3 20083 B15R1.1409 CCCCCC(C)OC1CCCCC1=O 34a_100011215632_100000754470 [0,1,0,1,0,0|1,0,0]=3 20084 B15R1.1409 CCCCCC(C)OC1CCCCC1=O 7a_100011215632_100000204591 [0,1,0,1,0,0|1,0,0]=3 20085 B15R1.1409 CCCCCC(C)OC1CCCNC1=O 34a_100000073722_200011218191 [0,1,0,1,0,0|2,0,0]=4 20086 B15R1.1409 CCCCCC(C)OC1CCCNC1=O 34a_100011215632_100000687798 [0,1,0,1,0,0|2,0,0]=4 20087 B15R1.1409 CCCCCC(C)OC1CCCNC1=O 7a_100011215632_100000687798 [0,1,0,1,0,0|2,0,0]=4 20088 B15R1.1409 CCCCCC(C)OC1COCCC1=O 34a_100011215632_100012180262 [0,1,0,1,0,0|2,0,0]=4 20089 B15R1.1409 CCCCCC(C)OC1COCCC1=O 7a_100011215632_100012180262 [0,1,0,1,0,0|2,0,0]=4 20090 B15R1.1409 CCCCCC(C)SC1CCCCC1=O 62a_100000204591_200011218191 [0,1,0,1,0,0|1,0,0]=3 20091 B15R1.1409 CCCCCC(C)SC1CCCCC1=O 62a_200011218191_100000204591 [0,1,0,1,0,0|1,0,0]=3 20092 B15R1.1409 CCCCCC(C)SC1CCCNC1=O 62a_100000687798_200011218191 [0,1,0,1,0,0|2,0,0]=4 20093 B15R1.1409 CCCCCC(C)SC1CCCNC1=O 62a_200011218191_100000687798 [0,1,0,1,0,0|2,0,0]=4 20094 B15R1.1409 CCCCCC(C)SC1COCCC1=O 62a_100012180262_200011218191 [0,1,0,1,0,0|2,0,0]=4 20095 B15R1.1409 CCCCCC(C)SC1COCCC1=O 62a_200011218191_100012180262 [0,1,0,1,0,0|2,0,0]=4 20096 B15R1.1409 CN(CCCC=O)CC1CCCCN1C 2230a_100015185953_200011292268 [0,1,0,1,0,0|2,0,0]=4 20097 B15R1.1409 CN(CCCC=O)CC1CCCCN1C 269982a_100015185953_200011292268 [0,1,0,1,0,0|2,0,0]=4 20098 B15R1.1409 COCCCC(C)OC1CCCCC1=O 34a_200011539412_100000754470 [0,1,0,1,0,0|2,0,0]=4 20099 B15R1.1409 COCCCC(C)OC1CCCCC1=O 7a_200011539412_100000204591 [0,1,0,1,0,0|2,0,0]=4 20100 B15R1.3386 C=CCCCC(=O)CC1CCCCCC1 1458a_100000685095_100000757094 [0,1,0,1,0,0|1,0,1]=4 20101 B15R1.3386 C=CCCCC(=O)CC1CCCCCC1 1458a_100000766728_200000696569 [0,1,0,1,0,0|1,0,1]=4 20102 B15R1.4691 C=CCCCCCCC(=O)C1CC1CC 1458a_200011661523_100011215473 [0,1,0,1,0,0|1,0,1]=4 20103 B15R1.4693 C=CCCCCCCC(=O)CC1CCC1 1458a_100000763092_100011215473 [0,1,0,1,0,0|1,0,1]=4 20104 B15R1.4693 C=CCCCCCCC(=O)CC1CCC1 1458a_100011809334_100000763275 [0,1,0,1,0,0|1,0,1]=4 20105 B15R1.4693 C=CCCCCCCN(C)CC1CCC1 2230a_200000750244_100011215473 [0,1,0,1,0,0|2,0,0]=4 20106 B15R1.4693 C=CCCCCCCN(C)CC1CCC1 269982a_200000750244_100011215473 [0,1,0,1,0,0|2,0,0]=4 20107 B15R1.4693 C=CCCCCCCN(C)CC1CCC1 34a_200000750244_100011215473 [0,1,0,1,0,0|2,0,0]=4 20108 B15R1.4694 C=CCCCCCCC(=O)CCC1CC1 1458a_100000756386_100011215473 [0,1,0,1,0,0|1,0,1]=4 20109 B15R1.4694 C=CCCCCCCC(=O)CCC1CC1 1458a_100011809334_100000694398 [0,1,0,1,0,0|1,0,1]=4 20110 B15R1.4695 CCCCCCCCC(=O)C1CCC1=O 1458a_100000210188_100009892977 [0,1,0,1,0,0|0,0,1]=3 20111 B15R1.4695 CCCCCCCCN(C)C1CCC1=O 269982a_100000207567_100009892977 [0,1,0,1,0,0|1,0,0]=3 20112 B15R1.4695 O=C(CCCCCCCO)C1CCC1=O 1458a_100011219782_100009892977 [0,1,0,1,0,0|1,0,1]=4 20113 B15R1.6328 BrCCCCCCOC1CCCCCC1 34a_100011215345_100011217769 [0,1,0,1,0,0|1,0,1]=4 20114 B15R1.6328 BrCCCCCOCC1CCCCCC1 34a_100000746331_200000696569 [0,1,0,1,0,0|1,0,1]=4 20115 B15R1.6328 BrCCCCCOCC1CCCCCC1 7a_100000746331_200000696569 [0,1,0,1,0,0|1,0,1]=4 20116 B15R1.6328 C#CCCCCCCN1CCCCCC1 2230a_100000185865_100012276617 [0,1,0,1,0,0|1,0,1]=4 20117 B15R1.6328 C#CCCCCCCN1CCCCCC1 269982a_100000185865_100012276617 [0,1,0,1,0,0|1,0,1]=4 20118 B15R1.6328 C#CCCCCCCN1CCCCCC1 34a_100000185865_100012276617 [0,1,0,1,0,0|1,0,1]=4 20119 B15R1.6328 C#CCCCCCNC1CCCCCC1 2230a_100000210984_100012094781 [0,1,0,1,0,0|1,0,1]=4 20120 B15R1.6328 C#CCCCCCNC1CCCCCC1 34a_100000210984_100012094781 [0,1,0,1,0,0|1,0,1]=4 20121 B15R1.6328 C#CCCCCCOC1CCCCCC1 34a_100000210887_100012094781 [0,1,0,1,0,0|1,0,1]=4 20122 B15R1.6328 C#CCCCCCOC1CCCCCC1 34a_100000766912_100011217769 [0,1,0,1,0,0|1,0,1]=4 20123 B15R1.6328 C#CCCCCCOC1CCCCCC1 7a_100000210887_100012094781 [0,1,0,1,0,0|1,0,1]=4 20124 B15R1.6328 C#CCCCCCSC1CCCCCC1 62a_100011217769_100012094781 [0,1,0,1,0,0|1,0,1]=4 20125 B15R1.6328 C#CCCCCCSC1CCCCCC1 62a_100012094781_100011217769 [0,1,0,1,0,0|1,0,1]=4 20126 B15R1.6328 C#CCCCCNCC1CCCCCC1 2230a_100000706060_200000696569 [0,1,0,1,0,0|1,0,1]=4 20127 B15R1.6328 C#CCCCCNCC1CCCCCC1 2230a_100015204231_100010269958 [0,1,0,1,0,0|1,0,1]=4 20128 B15R1.6328 C#CCCCCNCC1CCCCCC1 34a_100000706060_200000696569 [0,1,0,1,0,0|1,0,1]=4 20129 B15R1.6328 C#CCCCCNCC1CCCCCC1 34a_100015204231_100010269958 [0,1,0,1,0,0|1,0,1]=4 20130 B15R1.6328 C#CCCCCOCC1CCCCCC1 34a_100000699130_100010269958 [0,1,0,1,0,0|1,0,1]=4 20131 B15R1.6328 C#CCCCCOCC1CCCCCC1 34a_100000766709_200000696569 [0,1,0,1,0,0|1,0,1]=4 20132 B15R1.6328 C#CCCCCOCC1CCCCCC1 7a_100000699130_100010269958 [0,1,0,1,0,0|1,0,1]=4 20133 B15R1.6328 C#CCCCCOCC1CCCCCC1 7a_100000766709_200000696569 [0,1,0,1,0,0|1,0,1]=4 20134 B15R1.6328 C#CCCCCSCC1CCCCCC1 62a_100010269958_200000696569 [0,1,0,1,0,0|1,0,1]=4 20135 B15R1.6328 C#CCCCCSCC1CCCCCC1 62a_200000696569_100010269958 [0,1,0,1,0,0|1,0,1]=4 20136 B15R1.6328 C#CCCCNCCC1CCCCCC1 2230a_100011532351_100000731252 [0,1,0,1,0,0|1,0,1]=4 20137 B15R1.6328 C#CCCCNCCC1CCCCCC1 34a_100011532351_100000695029 [0,1,0,1,0,0|1,0,1]=4 20138 B15R1.6328 C=CCCCCCCN1CCCCCC1 2230a_100000185865_100011215473 [0,1,0,1,0,0|1,0,0]=3 20139 B15R1.6328 C=CCCCCCCN1CCCCCC1 269982a_100000185865_100011215473 [0,1,0,1,0,0|1,0,0]=3 20140 B15R1.6328 C=CCCCCCCN1CCCCCC1 34a_100000185865_100011215473 [0,1,0,1,0,0|1,0,0]=3 20141 B15R1.6328 C=CCCCCCCN1CCCOCC1 2230a_100000685342_100011215473 [0,1,0,1,0,0|2,0,0]=4 20142 B15R1.6328 C=CCCCCCCN1CCCOCC1 269982a_100000685342_100011215473 [0,1,0,1,0,0|2,0,0]=4 20143 B15R1.6328 C=CCCCCCCN1CCCOCC1 34a_100000685342_100011215473 [0,1,0,1,0,0|2,0,0]=4 20144 B15R1.6328 C=CCCCCCNC1CCCCCC1 2230a_100000210984_100000700193 [0,1,0,1,0,0|1,0,0]=3 20145 B15R1.6328 C=CCCCCCNC1CCCCCC1 34a_100000210984_100000700193 [0,1,0,1,0,0|1,0,0]=3 20146 B15R1.6328 C=CCCCCCOC1CCCCCC1 34a_100000210887_100000700193 [0,1,0,1,0,0|1,0,0]=3 20147 B15R1.6328 C=CCCCCCOC1CCCCCC1 34a_100011216702_100011217769 [0,1,0,1,0,0|1,0,0]=3 20148 B15R1.6328 C=CCCCCCOC1CCCCCC1 7a_100000210887_100000700193 [0,1,0,1,0,0|1,0,0]=3 20149 B15R1.6328 C=CCCCCCSC1CCCCCC1 62a_100000700193_100011217769 [0,1,0,1,0,0|1,0,0]=3 20150 B15R1.6328 C=CCCCCCSC1CCCCCC1 62a_100011217769_100000700193 [0,1,0,1,0,0|1,0,0]=3 20151 B15R1.6328 C=CCCCCNCC1CCCCCC1 2230a_100000703577_200000696569 [0,1,0,1,0,0|1,0,0]=3 20152 B15R1.6328 C=CCCCCNCC1CCCCCC1 2230a_100015204231_100011215482 [0,1,0,1,0,0|1,0,0]=3 20153 B15R1.6328 C=CCCCCNCC1CCCCCC1 269862a_100000703577_200000763224 [0,1,0,1,0,0|1,0,0]=3 20154 B15R1.6328 C=CCCCCNCC1CCCCCC1 34a_100000703577_200000696569 [0,1,0,1,0,0|1,0,0]=3 20155 B15R1.6328 C=CCCCCNCC1CCCCCC1 34a_100015204231_100011215482 [0,1,0,1,0,0|1,0,0]=3 20156 B15R1.6328 C=CCCCCOCC1CCCCCC1 34a_100000699130_100011215482 [0,1,0,1,0,0|1,0,0]=3 20157 B15R1.6328 C=CCCCCOCC1CCCCCC1 34a_100000766645_200000696569 [0,1,0,1,0,0|1,0,0]=3 20158 B15R1.6328 C=CCCCCOCC1CCCCCC1 7a_100000699130_100011215482 [0,1,0,1,0,0|1,0,0]=3 20159 B15R1.6328 C=CCCCCOCC1CCCCCC1 7a_100000766645_200000696569 [0,1,0,1,0,0|1,0,0]=3 20160 B15R1.6328 C=CCCCCSCC1CCCCCC1 62a_100011215482_200000696569 [0,1,0,1,0,0|1,0,0]=3 20161 B15R1.6328 C=CCCCCSCC1CCCCCC1 62a_200000696569_100011215482 [0,1,0,1,0,0|1,0,0]=3 20162 B15R1.6328 C=CCCCNCCC1CCCCCC1 2230a_100011532351_100011713584 [0,1,0,1,0,0|1,0,0]=3 20163 B15R1.6328 C=CCCCNCCC1CCCCCC1 34a_100011532351_100000757094 [0,1,0,1,0,0|1,0,0]=3 20164 B15R1.6328 C=CCCCOCCN1CCCCCC1 34a_100000238007_100000757094 [0,1,0,1,0,0|2,0,0]=4 20165 B15R1.6328 C=CCCCOCCN1CCCCCC1 7a_100000758997_100000722644 [0,1,0,1,0,0|2,0,0]=4 20166 B15R1.6328 C=CCCCSCCN1CCCCCC1 62a_100000722644_100000757094 [0,1,0,1,0,0|2,0,0]=4 20167 B15R1.6328 C=CCCCSCCN1CCCCCC1 62a_100011713584_100000722644 [0,1,0,1,0,0|2,0,0]=4 20168 B15R1.6328 C=CCCOCCCN1CCCCCC1 34a_100102886287_100000754431 [0,1,0,1,0,0|2,0,0]=4 20169 B15R1.6328 C=CCCOCCCN1CCCCCC1 7a_100102886287_100000754431 [0,1,0,1,0,0|2,0,0]=4 20170 B15R1.6328 C=CCOCCCCN1CCCCCC1 34a_100011305542_100015514636 [0,1,0,1,0,0|2,0,0]=4 20171 B15R1.6328 C=CCOCCOCC1CCCCCC1 34a_100000037705_200000696569 [0,1,0,1,0,0|2,0,0]=4 20172 B15R1.6328 C=CCOCCOCC1CCCCCC1 7a_100000037705_200000696569 [0,1,0,1,0,0|2,0,0]=4 20173 B15R1.6328 C=COCCCCOC1CCCCCC1 34a_100000031558_100011217769 [0,1,0,1,0,0|2,0,0]=4 20174 B15R1.6328 C=COCCCNCC1CCCCCC1 2230a_100000210767_200000696569 [0,1,0,1,0,0|2,0,0]=4 20175 B15R1.6328 C=COCCCNCC1CCCCCC1 269862a_100000210767_200000763224 [0,1,0,1,0,0|2,0,0]=4 20176 B15R1.6328 C=COCCCNCC1CCCCCC1 34a_100000210767_200000696569 [0,1,0,1,0,0|2,0,0]=4 20177 B15R1.6328 C=COCCNCCC1CCCCCC1 2230a_100011532351_100000039644 [0,1,0,1,0,0|2,0,0]=4 20178 B15R1.6328 C=COCCNCCC1CCCCCC1 34a_100011532351_100000039644 [0,1,0,1,0,0|2,0,0]=4 20179 B15R1.6328 CC=CCCCOCC1CCCCCC1 34a_100020645299_200000696569 [0,1,0,1,0,0|1,0,1]=4 20180 B15R1.6328 CCCCCCCCN1CCCCCC1 2230a_100000185865_100000210759 [0,1,0,1,0,0|1,0,1]=4 20181 B15R1.6328 CCCCCCCCN1CCCCCC1 269982a_100000185865_100000210759 [0,1,0,1,0,0|1,0,1]=4 20182 B15R1.6328 CCCCCCCCN1CCCCCC1 34a_100000185865_100000210759 [0,1,0,1,0,0|1,0,1]=4 20183 B15R1.6328 CCCCCCCNC1CCCCCC1 2230a_100000210984_100000210681 [0,1,0,1,0,0|1,0,1]=4 20184 B15R1.6328 CCCCCCCNC1CCCCCC1 270004a_100000229938_100000210131 [0,1,0,1,0,0|1,0,1]=4 20185 B15R1.6328 CCCCCCCNC1CCCCCC1 34a_100000210984_100000210614 [0,1,0,1,0,0|1,0,1]=4 20186 B15R1.6328 CCCCCCCOC1CCCCCC1 34a_100000210272_100011217769 [0,1,0,1,0,0|1,0,1]=4 20187 B15R1.6328 CCCCCCCOC1CCCCCC1 34a_100000210887_100000210614 [0,1,0,1,0,0|1,0,1]=4 20188 B15R1.6328 CCCCCCCOC1CCCCCC1 7a_100000210887_100000210614 [0,1,0,1,0,0|1,0,1]=4 20189 B15R1.6328 CCCCCCCSC1CCCCCC1 62a_100000210614_100011217769 [0,1,0,1,0,0|1,0,1]=4 20190 B15R1.6328 CCCCCCCSC1CCCCCC1 62a_100011217769_100000210316 [0,1,0,1,0,0|1,0,1]=4 20191 B15R1.6328 CCCCCCNCC1CCCCCC1 2230a_100000210581_200000696569 [0,1,0,1,0,0|1,0,1]=4 20192 B15R1.6328 CCCCCCNCC1CCCCCC1 2230a_100015204231_100000210314 [0,1,0,1,0,0|1,0,1]=4 20193 B15R1.6328 CCCCCCNCC1CCCCCC1 269862a_100000210581_200000763224 [0,1,0,1,0,0|1,0,1]=4 20194 B15R1.6328 CCCCCCNCC1CCCCCC1 34a_100015204231_100000210314 [0,1,0,1,0,0|1,0,1]=4 20195 B15R1.6328 CCCCCCOCC1CCCCCC1 34a_100000210259_200000696569 [0,1,0,1,0,0|1,0,1]=4 20196 B15R1.6328 CCCCCCOCC1CCCCCC1 34a_100000699130_100000210314 [0,1,0,1,0,0|1,0,1]=4 20197 B15R1.6328 CCCCCCOCC1CCCCCC1 7a_100000210259_200000696569 [0,1,0,1,0,0|1,0,1]=4 20198 B15R1.6328 CCCCCCOCC1CCCCCC1 7a_100000699130_100000210314 [0,1,0,1,0,0|1,0,1]=4 20199 B15R1.6328 CCCCCCSCC1CCCCCC1 62a_100000210314_200000696569 [0,1,0,1,0,0|1,0,1]=4 20200 B15R1.6328 CCCCCCSCC1CCCCCC1 62a_200000696569_100000210757 [0,1,0,1,0,0|1,0,1]=4 20201 B15R1.6328 CCCCCNCCC1CCCCCC1 2230a_100011532351_100000210326 [0,1,0,1,0,0|1,0,1]=4 20202 B15R1.6328 CCCCCNCCC1CCCCCC1 34a_100011532351_100000718602 [0,1,0,1,0,0|1,0,1]=4 20203 B15R1.6328 CNCCCCCOC1CCCCCC1 34a_100000722520_100011217769 [0,1,0,1,0,0|2,0,0]=4 20204 B15R1.6328 COCCCCCCN1CCCCCC1 2230a_100000185865_100011998445 [0,1,0,1,0,0|2,0,0]=4 20205 B15R1.6328 COCCCCCCN1CCCCCC1 269982a_100000185865_100011998445 [0,1,0,1,0,0|2,0,0]=4 20206 B15R1.6328 COCCCCCCN1CCCCCC1 34a_100000185865_100011998445 [0,1,0,1,0,0|2,0,0]=4 20207 B15R1.6328 COCCCCCNC1CCCCCC1 270004a_100000747528_100000210131 [0,1,0,1,0,0|2,0,0]=4 20208 B15R1.6328 COCCCCCNC1CCCCCC1 34a_100000747528_100011217769 [0,1,0,1,0,0|2,0,0]=4 20209 B15R1.6328 COCCCCNCC1CCCCCC1 2230a_100015204231_100000730899 [0,1,0,1,0,0|2,0,0]=4 20210 B15R1.6328 COCCCCNCC1CCCCCC1 34a_100015204231_100000755781 [0,1,0,1,0,0|2,0,0]=4 20211 B15R1.6328 COCCCCOCC1CCCCCC1 34a_100000699130_100000755781 [0,1,0,1,0,0|2,0,0]=4 20212 B15R1.6328 COCCCCOCC1CCCCCC1 34a_100000740925_200000696569 [0,1,0,1,0,0|2,0,0]=4 20213 B15R1.6328 COCCCCOCC1CCCCCC1 7a_100000699130_100000730899 [0,1,0,1,0,0|2,0,0]=4 20214 B15R1.6328 COCCCCSCC1CCCCCC1 62a_100000730899_200000696569 [0,1,0,1,0,0|2,0,0]=4 20215 B15R1.6328 COCCCCSCC1CCCCCC1 62a_200000696569_100000730899 [0,1,0,1,0,0|2,0,0]=4 20216 B15R1.6328 COCCCNCCC1CCCCCC1 2230a_100011532351_100000740836 [0,1,0,1,0,0|2,0,0]=4 20217 B15R1.6328 COCCCNCCC1CCCCCC1 34a_100011532351_100000740836 [0,1,0,1,0,0|2,0,0]=4 20218 B15R1.6328 CSCCCCOCC1CCCCCC1 34a_100011217163_200000696569 [0,1,0,1,0,0|2,0,0]=4 20219 B15R1.6328 CSCCCCOCC1CCCCCC1 7a_100011217163_200000696569 [0,1,0,1,0,0|2,0,0]=4 20220 B15R1.6328 ClCCCCCCOC1CCCCCC1 34a_100000766143_100011217769 [0,1,0,1,0,0|1,0,1]=4 20221 B15R1.6328 ClCCCCCOCC1CCCCCC1 34a_100000746330_200000696569 [0,1,0,1,0,0|1,0,1]=4 20222 B15R1.6328 ClCCCCCOCC1CCCCCC1 7a_100000746330_200000696569 [0,1,0,1,0,0|1,0,1]=4 20223 B15R1.6328 FCCCCCCNC1CCCCCC1 2230a_100000210984_100015922095 [0,1,0,1,0,0|1,0,1]=4 20224 B15R1.6328 FCCCCCCNC1CCCCCC1 34a_100000210984_100015922095 [0,1,0,1,0,0|1,0,1]=4 20225 B15R1.6328 FCCCCCCOC1CCCCCC1 34a_100000210887_100015922095 [0,1,0,1,0,0|1,0,1]=4 20226 B15R1.6328 FCCCCCCOC1CCCCCC1 34a_100000732779_100011217769 [0,1,0,1,0,0|1,0,1]=4 20227 B15R1.6328 FCCCCCCOC1CCCCCC1 7a_100000210887_100015922095 [0,1,0,1,0,0|1,0,1]=4 20228 B15R1.6328 FCCCCCCSC1CCCCCC1 62a_100011217769_100015922095 [0,1,0,1,0,0|1,0,1]=4 20229 B15R1.6328 FCCCCCCSC1CCCCCC1 62a_100015922095_100011217769 [0,1,0,1,0,0|1,0,1]=4 20230 B15R1.6328 FCCCCCNCC1CCCCCC1 2230a_100015204231_100000729378 [0,1,0,1,0,0|1,0,1]=4 20231 B15R1.6328 FCCCCCNCC1CCCCCC1 34a_100015204231_100000729378 [0,1,0,1,0,0|1,0,1]=4 20232 B15R1.6328 FCCCCCOCC1CCCCCC1 34a_100000699130_100000729378 [0,1,0,1,0,0|1,0,1]=4 20233 B15R1.6328 FCCCCCOCC1CCCCCC1 7a_100000699130_100000729378 [0,1,0,1,0,0|1,0,1]=4 20234 B15R1.6328 FCCCCCSCC1CCCCCC1 62a_100000729378_200000696569 [0,1,0,1,0,0|1,0,1]=4 20235 B15R1.6328 FCCCCCSCC1CCCCCC1 62a_200000696569_100000729378 [0,1,0,1,0,0|1,0,1]=4 20236 B15R1.6328 FCCCCNCCC1CCCCCC1 2230a_100011532351_100000729493 [0,1,0,1,0,0|1,0,1]=4 20237 B15R1.6328 FCCCCNCCC1CCCCCC1 34a_100011532351_100000729493 [0,1,0,1,0,0|1,0,1]=4 20238 B15R1.6328 ICCCCCOCC1CCCCCC1 34a_200012148887_200000696569 [0,1,0,1,0,0|1,0,1]=4 20239 B15R1.6328 ICCCCCOCC1CCCCCC1 7a_200012148887_200000696569 [0,1,0,1,0,0|1,0,1]=4 20240 B15R1.6328 N#CCCCCCCN1CCCCCC1 2230a_100000185865_100009813337 [0,1,0,1,0,0|1,0,1]=4 20241 B15R1.6328 N#CCCCCCCN1CCCCCC1 269982a_100000185865_100009813337 [0,1,0,1,0,0|1,0,1]=4 20242 B15R1.6328 N#CCCCCCNC1CCCCCC1 2230a_100000210984_100009813376 [0,1,0,1,0,0|1,0,1]=4 20243 B15R1.6328 N#CCCCCCNC1CCCCCC1 270004a_100000061152_100000210131 [0,1,0,1,0,0|1,0,1]=4 20244 B15R1.6328 N#CCCCCCOC1CCCCCC1 7a_100000210887_100009813376 [0,1,0,1,0,0|1,0,1]=4 20245 B15R1.6328 N#CCCCCCSC1CCCCCC1 62a_100009813376_100011217769 [0,1,0,1,0,0|1,0,1]=4 20246 B15R1.6328 N#CCCCCCSC1CCCCCC1 62a_100011217769_100009813376 [0,1,0,1,0,0|1,0,1]=4 20247 B15R1.6328 N#CCCCCNCC1CCCCCC1 2230a_100015204231_100000211819 [0,1,0,1,0,0|1,0,1]=4 20248 B15R1.6328 N#CCCCCOCC1CCCCCC1 7a_100000699130_100000211819 [0,1,0,1,0,0|1,0,1]=4 20249 B15R1.6328 N#CCCCCSCC1CCCCCC1 62a_100011219923_200000696569 [0,1,0,1,0,0|1,0,1]=4 20250 B15R1.6328 N#CCCCCSCC1CCCCCC1 62a_200000696569_100000211819 [0,1,0,1,0,0|1,0,1]=4 20251 B15R1.6328 N#CCCCNCCC1CCCCCC1 2230a_100011532351_100000687738 [0,1,0,1,0,0|1,0,1]=4 20252 B15R1.6328 NCCCCCCOC1CCCCCC1 34a_100000686447_100011217769 [0,1,0,1,0,0|1,0,1]=4 20253 B15R1.6328 NCCCCCOCC1CCCCCC1 34a_100000762737_200000696569 [0,1,0,1,0,0|1,0,1]=4 20254 B15R1.6328 O=CCCCCCNC1CCCCCC1 2230a_100000210984_100000139337 [0,1,0,1,0,0|0,0,0]=2 20255 B15R1.6328 O=CCCCCCOC1CCCCCC1 7a_100000210887_100000139337 [0,1,0,1,0,0|0,0,0]=2 20256 B15R1.6328 O=CCCCCCSC1CCCCCC1 62a_100000139337_100011217769 [0,1,0,1,0,0|0,0,0]=2 20257 B15R1.6328 O=CCCCCCSC1CCCCCC1 62a_100011217769_100000139337 [0,1,0,1,0,0|0,0,0]=2 20258 B15R1.6328 O=CCCCCNCC1CCCCCC1 2230a_100015204231_100000139335 [0,1,0,1,0,0|0,0,0]=2 20259 B15R1.6328 O=CCCCCOCC1CCCCCC1 7a_100000699130_100000139335 [0,1,0,1,0,0|0,0,0]=2 20260 B15R1.6328 O=CCCCCSCC1CCCCCC1 62a_100000139335_200000696569 [0,1,0,1,0,0|0,0,0]=2 20261 B15R1.6328 O=CCCCCSCC1CCCCCC1 62a_200000696569_100000139335 [0,1,0,1,0,0|0,0,0]=2 20262 B15R1.6328 O=CCCCNCCC1CCCCCC1 2230a_100011532351_200011292268 [0,1,0,1,0,0|0,0,0]=2 20263 B15R1.6328 O=CCCCSCCN1CCCCCC1 62a_100000722644_200011292268 [0,1,0,1,0,0|1,0,0]=3 20264 B15R1.6328 O=CCCCSCCN1CCCCCC1 62a_200011292268_100000722644 [0,1,0,1,0,0|1,0,0]=3 20265 B15R1.6328 O=CCOCCCCN1CCCCCC1 34a_100011305542_200009817547 [0,1,0,1,0,0|1,0,0]=3 20266 B15R1.6328 OCCCCCCCN1CCCCCC1 2230a_100000185865_100000760002 [0,1,0,1,0,0|0,0,2]=4 20267 B15R1.6328 OCCCCCCCN1CCCCCC1 269982a_100000185865_100000760002 [0,1,0,1,0,0|0,0,2]=4 20268 B15R1.6328 OCCCCCCCN1CCCCCC1 34a_100000185865_100000760002 [0,1,0,1,0,0|0,0,2]=4 20269 B15R1.6328 OCCCCCCNC1CCCCCC1 2230a_100000210984_100000766143 [0,1,0,1,0,0|0,0,2]=4 20270 B15R1.6328 OCCCCCCNC1CCCCCC1 270004a_100000686447_100000210131 [0,1,0,1,0,0|0,0,2]=4 20271 B15R1.6328 OCCCCCCNC1CCCCCC1 34a_100000210984_100000766143 [0,1,0,1,0,0|0,0,2]=4 20272 B15R1.6328 OCCCCCCNC1CCCCCC1 34a_100000686447_100011217769 [0,1,0,1,0,0|0,0,2]=4 20273 B15R1.6328 OCCCCCCOC1CCCCCC1 34a_100000210887_100000766143 [0,1,0,1,0,0|0,0,2]=4 20274 B15R1.6328 OCCCCCCOC1CCCCCC1 7a_100000210887_100000766143 [0,1,0,1,0,0|0,0,2]=4 20275 B15R1.6328 OCCCCCCSC1CCCCCC1 62a_100000766143_100011217769 [0,1,0,1,0,0|0,0,2]=4 20276 B15R1.6328 OCCCCCCSC1CCCCCC1 62a_100011217769_100000766143 [0,1,0,1,0,0|0,0,2]=4 20277 B15R1.6328 OCCCCCNCC1CCCCCC1 2230a_100000762737_200000696569 [0,1,0,1,0,0|0,0,2]=4 20278 B15R1.6328 OCCCCCNCC1CCCCCC1 2230a_100015204231_100000746330 [0,1,0,1,0,0|0,0,2]=4 20279 B15R1.6328 OCCCCCNCC1CCCCCC1 269862a_100000762737_200000763224 [0,1,0,1,0,0|0,0,2]=4 20280 B15R1.6328 OCCCCCNCC1CCCCCC1 34a_100000762737_200000696569 [0,1,0,1,0,0|0,0,2]=4 20281 B15R1.6328 OCCCCCNCC1CCCCCC1 34a_100015204231_100000746330 [0,1,0,1,0,0|0,0,2]=4 20282 B15R1.6328 OCCCCCOCC1CCCCCC1 34a_100000699130_100000746330 [0,1,0,1,0,0|0,0,2]=4 20283 B15R1.6328 OCCCCCOCC1CCCCCC1 7a_100000699130_100000746330 [0,1,0,1,0,0|0,0,2]=4 20284 B15R1.6328 OCCCCCSCC1CCCCCC1 62a_100000746330_200000696569 [0,1,0,1,0,0|0,0,2]=4 20285 B15R1.6328 OCCCCCSCC1CCCCCC1 62a_200000696569_100000746330 [0,1,0,1,0,0|0,0,2]=4 20286 B15R1.6328 OCCCCNCCC1CCCCCC1 2230a_100011532351_100000210776 [0,1,0,1,0,0|0,0,2]=4 20287 B15R1.6328 OCCCCNCCC1CCCCCC1 34a_100011532351_100011216708 [0,1,0,1,0,0|0,0,2]=4 20288 B15R1.6333 COCC1CC(C1)NCCCCCC=O 2230a_100012180050_100000139337 [0,1,0,1,0,0|2,0,0]=4 20289 B15R1.9281 CCN1CCC(C1)CNCCCCC=O 2230a_100011224064_100000139335 [0,1,0,1,0,0|2,0,0]=4 20290 B15R1.9281 CCN1CCC(C1)CSCCCCC=O 62a_100000139335_100015184589 [0,1,0,1,0,0|2,0,0]=4 20291 B15R1.9281 CCN1CCC(C1)CSCCCCC=O 62a_100015184589_100000139335 [0,1,0,1,0,0|2,0,0]=4 20292 B15R1.9281 CCN1CCC(C1)NCCCCCC=O 2230a_100015188829_100000139337 [0,1,0,1,0,0|2,0,0]=4 20293 B15R1.9281 CCN1CCC(C1)SCCCCCC=O 62a_100000139337_200011861547 [0,1,0,1,0,0|2,0,0]=4 20294 B15R1.24935 C=CCCCCCNC1(CCCCC1)C 2230a_100000741114_100000700193 [0,1,0,1,0,0|2,0,0]=4 20295 B15R1.24935 C=CCCCCCNC1(CCCCC1)C 34a_100000741114_100000700193 [0,1,0,1,0,0|2,0,0]=4 20296 B15R1.24935 C=CCCCCCOC1(CCCCC1)C 34a_100011215885_100000700193 [0,1,0,1,0,0|2,0,0]=4 20297 B15R1.24935 C=CCCCCCOC1(CCCCC1)C 7a_100011215885_100000700193 [0,1,0,1,0,0|2,0,0]=4 20298 B15R1.24935 C=CCCCCNCC1(CCCCC1)C 2230a_100000706052_100011215482 [0,1,0,1,0,0|2,0,0]=4 20299 B15R1.24935 C=CCCCCNCC1(CCCCC1)C 269862a_100000703577_100011935227 [0,1,0,1,0,0|2,0,0]=4 20300 B15R1.24935 C=CCCCCNCC1(CCCCC1)C 34a_100000706052_100011215482 [0,1,0,1,0,0|2,0,0]=4 20301 B15R1.24935 C=CCCCCNCC1(CCCCC1)O 2230a_100000748649_100011215482 [0,1,0,1,0,0|2,0,0]=4 20302 B15R1.24935 C=CCCCCNCC1(CCCCC1)O 34a_100000748649_100011215482 [0,1,0,1,0,0|2,0,0]=4 20303 B15R1.24935 C=CCCCCOCC1(CCCCC1)C 34a_100000688186_100011215482 [0,1,0,1,0,0|2,0,0]=4 20304 B15R1.24935 C=CCCCCOCC1(CCCCC1)C 7a_100000688186_100011215482 [0,1,0,1,0,0|2,0,0]=4 20305 B15R1.24935 C=CCCCCOCC1(CCCCC1)F 34a_100000090305_100011215482 [0,1,0,1,0,0|2,0,0]=4 20306 B15R1.24935 C=CCCCCOCC1(CCCCC1)F 7a_100000090305_100011215482 [0,1,0,1,0,0|2,0,0]=4 20307 B15R1.24935 C=CCCCCOCC1(CCCCC1)N 34a_100000740034_100011215482 [0,1,0,1,0,0|2,0,0]=4 20308 B15R1.24935 C=CCCCNCCC1(CCCCC1)O 2230a_100102740465_100011713584 [0,1,0,1,0,0|2,0,0]=4 20309 B15R1.24935 C=CCCCNCCC1(CCCCC1)O 34a_100102740465_100000757094 [0,1,0,1,0,0|2,0,0]=4 20310 B15R1.24935 CC1(CCCCC1)CNCCCCC=O 2230a_100000706052_100000139335 [0,1,0,1,0,0|1,0,0]=3 20311 B15R1.24935 CC1(CCCCC1)COCCCCC=O 7a_100000688186_100000139335 [0,1,0,1,0,0|1,0,0]=3 20312 B15R1.24935 CC1(CCCCC1)NCCCCCC=O 2230a_100000741114_100000139337 [0,1,0,1,0,0|1,0,0]=3 20313 B15R1.24935 CC1(CCCCC1)OCCCCCC=O 7a_100011215885_100000139337 [0,1,0,1,0,0|1,0,0]=3 20314 B15R1.24935 CC1(CCOCC1)CNCCCCC=O 2230a_100000695556_100000139335 [0,1,0,1,0,0|2,0,0]=4 20315 B15R1.24935 CC1(CCOCC1)COCCCCC=O 7a_100000704393_100000139335 [0,1,0,1,0,0|2,0,0]=4 20316 B15R1.24935 CC1(CCOCC1)NCCCCCC=O 2230a_100000692449_100000139337 [0,1,0,1,0,0|2,0,0]=4 20317 B15R1.24935 CC1(CCOCC1)OCCCCCC=O 7a_100011827762_100000139337 [0,1,0,1,0,0|2,0,0]=4 20318 B15R1.24935 CC1(CCSCC1)OCCCCCC=O 7a_200011004327_100000139337 [0,1,0,1,0,0|2,0,0]=4 20319 B15R1.24935 O=CCCCCNCC1(CCCCC1)O 2230a_100000748649_100000139335 [0,1,0,1,0,0|1,0,0]=3 20320 B15R1.24935 O=CCCCCNCC1(CCOCC1)F 2230a_100016991512_100000139335 [0,1,0,1,0,0|2,0,0]=4 20321 B15R1.24935 O=CCCCCNCC1(CCOCC1)O 2230a_100000704115_100000139335 [0,1,0,1,0,0|2,0,0]=4 20322 B15R1.24935 O=CCCCCNCC1(CCSCC1)O 2230a_100000758141_100000139335 [0,1,0,1,0,0|2,0,0]=4 20323 B15R1.24935 O=CCCCCOCC1(CCCCC1)F 7a_100000090305_100000139335 [0,1,0,1,0,0|1,0,0]=3 20324 B15R1.24935 O=CCCCNCCC1(CCCCC1)O 2230a_100102740465_200011292268 [0,1,0,1,0,0|1,0,0]=3 20325 B15R1.44685 C=CCCCCCN1C(CCCC1C)C 2230a_100000210447_100000700193 [0,1,0,1,0,0|2,0,0]=4 20326 B15R1.44685 C=CCCCCCN1C(CCCC1C)C 269982a_100000210447_100000700193 [0,1,0,1,0,0|2,0,0]=4 20327 B15R1.44685 C=CCCCCCN1C(CCCC1C)C 34a_100000210447_100000700193 [0,1,0,1,0,0|2,0,0]=4 20328 B15R1.44685 C=CCCCCNC1C(CCCC1C)C 269862a_100000703577_100000211995 [0,1,0,1,0,0|2,0,0]=4 20329 B15R1.44685 C=CCCCCOC1C(CCCC1C)C 34a_100011218088_100011215482 [0,1,0,1,0,0|2,0,0]=4 20330 B15R1.44685 C=CCCCCOC1C(CCCC1C)C 7a_100011218088_100011215482 [0,1,0,1,0,0|2,0,0]=4 20331 B15R1.44685 CC1CCCC(C1OCCCCC=O)C 7a_100011218088_100000139335 [0,1,0,1,0,0|1,0,0]=3 20332 B15R1.44685 CC1CCCC(N1CCCCCC=O)C 2230a_100000210447_100000139337 [0,1,0,1,0,0|1,0,0]=3 20333 B15R1.44685 CC1CCCC(N1CCCCCC=O)C 269982a_100000210447_100000139337 [0,1,0,1,0,0|1,0,0]=3 20334 B15R1.44685 CCCCCCNC1C(=O)CCCC1=O 2230a_100000210581_100009814513 [0,1,0,1,0,0|1,0,1]=4 20335 B15R1.44685 CCCCCCOC1C(=O)CCCC1=O 7a_100000210259_100009814513 [0,1,0,1,0,0|1,0,1]=4 20336 B15R1.44685 CCCCCCSC1C(=O)CCCC1=O 62a_100000210314_100009814513 [0,1,0,1,0,0|1,0,1]=4 20337 B15R1.44685 CCCCCCSC1C(=O)CCCC1=O 62a_100009814513_100000210757 [0,1,0,1,0,0|1,0,1]=4 20338 B15R1.44685 C[C@@H]1COC[C@@H](N1CCCCCC=O)C 2230a_100103153222_100000139337 [0,1,0,1,0,0|2,0,0]=4 20339 B15R1.44685 C[C@@H]1COC[C@@H](N1CCCCCC=O)C 269982a_100103153222_100000139337 [0,1,0,1,0,0|2,0,0]=4 20340 B15R1.12 C=CCCCCCCN1CCC(CC1)C 2230a_100000188429_100011215473 [0,1,0,1,0,0|2,0,0]=4 20341 B15R1.12 C=CCCCCCCN1CCC(CC1)C 269982a_100000188429_100011215473 [0,1,0,1,0,0|2,0,0]=4 20342 B15R1.12 C=CCCCCCCN1CCC(CC1)C 34a_100000188429_100011215473 [0,1,0,1,0,0|2,0,0]=4 20343 B15R1.12 C=CCCCCCCN1CCC(CC1)F 2230a_100015193889_100011215473 [0,1,0,1,0,0|2,0,0]=4 20344 B15R1.12 C=CCCCCCCN1CCC(CC1)F 269982a_100015193889_100011215473 [0,1,0,1,0,0|2,0,0]=4 20345 B15R1.12 C=CCCCCCCN1CCC(CC1)F 34a_100015193889_100011215473 [0,1,0,1,0,0|2,0,0]=4 20346 B15R1.12 C=CCCCCCCN1CCC(CC1)O 2230a_100025773856_100011215473 [0,1,0,1,0,0|2,0,0]=4 20347 B15R1.12 C=CCCCCCCN1CCC(CC1)O 269982a_100025773856_100011215473 [0,1,0,1,0,0|2,0,0]=4 20348 B15R1.12 C=CCCCCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000700193 [0,1,0,1,0,0|2,0,0]=4 20349 B15R1.12 C=CCCCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000700193 [0,1,0,1,0,0|2,0,0]=4 20350 B15R1.12 C=CCCCCCOC1CCC(CC1)C 34a_100000210714_100000700193 [0,1,0,1,0,0|2,0,0]=4 20351 B15R1.12 C=CCCCCCOC1CCC(CC1)C 34a_100011216702_200011216234 [0,1,0,1,0,0|2,0,0]=4 20352 B15R1.12 C=CCCCCCOC1CCC(CC1)C 7a_100000210714_100000700193 [0,1,0,1,0,0|2,0,0]=4 20353 B15R1.12 C=CCCCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000700193 [0,1,0,1,0,0|2,0,0]=4 20354 B15R1.12 C=CCCCCCSC1CCC(CC1)C 62a_100000700193_200011216234 [0,1,0,1,0,0|2,0,0]=4 20355 B15R1.12 C=CCCCCNCC1CCC(CC1)C 2230a_103436935547_100011215482 [0,1,0,1,0,0|2,0,0]=4 20356 B15R1.12 C=CCCCCNCC1CCC(CC1)C 34a_103436935547_100011215482 [0,1,0,1,0,0|2,0,0]=4 20357 B15R1.12 C=CCCCCOCC1CCC(CC1)C 34a_100000701341_100011215482 [0,1,0,1,0,0|2,0,0]=4 20358 B15R1.12 C=CCCCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100011215482 [0,1,0,1,0,0|2,0,0]=4 20359 B15R1.12 C=CCCCNCCC1CCC(CC1)O 34a_200011935226_100000757094 [0,1,0,1,0,0|2,0,0]=4 20360 B15R1.12 C=CCCCOCCC1CCC(CC1)N 34a_100000070672_100000757094 [0,1,0,1,0,0|2,0,0]=4 20361 B15R1.12 CC1CCC(CC1)CNCCCCC=O 2230a_103436935547_100000139335 [0,1,0,1,0,0|1,0,0]=3 20362 B15R1.12 CC1CCC(CC1)OCCCCCC=O 7a_100000210714_100000139337 [0,1,0,1,0,0|1,0,0]=3 20363 B15R1.12 CC1CCC(CC1)SCCCCCC=O 62a_100000139337_200011216234 [0,1,0,1,0,0|1,0,0]=3 20364 B15R1.12 CN1CCC(CC1)CSCCCCC=O 62a_100000139335_100015183002 [0,1,0,1,0,0|2,0,0]=4 20365 B15R1.12 CN1CCC(CC1)CSCCCCC=O 62a_100015183002_100000139335 [0,1,0,1,0,0|2,0,0]=4 20366 B15R1.12 CN1CCC(CC1)SCCCCCC=O 62a_100000139337_100011215917 [0,1,0,1,0,0|2,0,0]=4 20367 B15R1.12 C[C@H]1CC[C@@H](CC1)NCCCCCC=O 2230a_100020625639_100000139337 [0,1,0,1,0,0|1,0,0]=3 20368 B15R1.12 O=CCCCCCOC1CCC(=O)CC1 7a_100000764474_100000139337 [0,1,0,1,0,0|1,0,1]=4 20369 B15R1.22 C=CCCCCNC1CCCC(C1C)C 2230a_100000211273_100011215482 [0,1,0,1,0,0|2,0,0]=4 20370 B15R1.22 C=CCCCCNC1CCCC(C1C)C 34a_100000211273_100011215482 [0,1,0,1,0,0|2,0,0]=4 20371 B15R1.22 C=CCCCCOC1CCCC(C1C)C 34a_100011217532_100011215482 [0,1,0,1,0,0|2,0,0]=4 20372 B15R1.22 C=CCCCCOC1CCCC(C1C)C 7a_100011217532_100011215482 [0,1,0,1,0,0|2,0,0]=4 20373 B15R1.22 CC1CCCC(C1C)NCCCCC=O 2230a_100000211273_100000139335 [0,1,0,1,0,0|1,0,0]=3 20374 B15R1.22 CC1CCCC(C1C)OCCCCC=O 7a_100011217532_100000139335 [0,1,0,1,0,0|1,0,0]=3 20375 B15R1.34 C=CCCCCCCCN1CCC(C1)O 2230a_100011215560_100012355270 [0,1,0,1,0,0|2,0,0]=4 20376 B15R1.34 C=CCCCCCCCN1CCC(C1)O 269982a_100011215560_100012355270 [0,1,0,1,0,0|2,0,0]=4 20377 B15R1.34 C=CCCCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100012355270 [0,1,0,1,0,0|2,0,0]=4 20378 B15R1.34 C=CCCCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100012355270 [0,1,0,1,0,0|2,0,0]=4 20379 B15R1.34 C=CCCCCCCCN1CC[C@@H](C1)F 34a_100015203821_100012355270 [0,1,0,1,0,0|2,0,0]=4 20380 B15R1.34 C=CCCCCCCCN1CC[C@H](C1)C 2230a_100016987628_100012355270 [0,1,0,1,0,0|2,0,0]=4 20381 B15R1.34 C=CCCCCCCCN1CC[C@H](C1)C 269982a_100016987628_100012355270 [0,1,0,1,0,0|2,0,0]=4 20382 B15R1.34 C=CCCCCCCCN1CC[C@H](C1)C 34a_100016987628_100012355270 [0,1,0,1,0,0|2,0,0]=4 20383 B15R1.34 C=CCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215473 [0,1,0,1,0,0|2,0,0]=4 20384 B15R1.34 C=CCCCCCCOC1CCC(C1)C 34a_100000698185_100011215473 [0,1,0,1,0,0|2,0,0]=4 20385 B15R1.34 CCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100011214924 [0,1,0,1,0,0|2,0,0]=4 20386 B15R1.34 CCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210759 [0,1,0,1,0,0|2,0,0]=4 20387 B15R1.34 CCCCCCCCNC1COC(=O)O1 34a_100000229939_100000032252 [0,1,0,1,0,0|2,0,0]=4 20388 B15R1.34 CCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210759 [0,1,0,1,0,0|1,0,0]=3 20389 B15R1.34 CCCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210759 [0,1,0,1,0,0|2,0,0]=4 20390 B15R1.34 CCCCCCCCOC1COC(=O)O1 34a_100000210232_100000032252 [0,1,0,1,0,0|2,0,0]=4 20391 B15R1.34 CCCCCCCCSC1COC(=O)O1 62a_100000210759_100000032252 [0,1,0,1,0,0|2,0,0]=4 20392 B15R1.34 CCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210681 [0,1,0,1,0,0|2,0,0]=4 20393 B15R1.34 CCCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210614 [0,1,0,1,0,0|2,0,0]=4 20394 B15R1.34 CCCCCCCNCC1CNC(=O)O1 2230a_100000229938_100000181169 [0,1,0,1,0,0|2,0,0]=4 20395 B15R1.34 CCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229938_100015189358 [0,1,0,1,0,0|1,0,0]=3 20396 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210681 [0,1,0,1,0,0|1,0,0]=3 20397 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210614 [0,1,0,1,0,0|1,0,0]=3 20398 B15R1.34 CCCCCCCNC[C@H]1COC(=O)N1 2230a_100000229938_100015307671 [0,1,0,1,0,0|2,0,0]=4 20399 B15R1.34 CCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210614 [0,1,0,1,0,0|1,0,0]=3 20400 B15R1.34 CCCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210614 [0,1,0,1,0,0|2,0,0]=4 20401 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100000210272_100000181169 [0,1,0,1,0,0|2,0,0]=4 20402 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210614 [0,1,0,1,0,0|2,0,0]=4 20403 B15R1.34 CCCCCCCOCC1CNC(=O)O1 7a_100000210272_100000181169 [0,1,0,1,0,0|2,0,0]=4 20404 B15R1.34 CCCCCCCOCC1COC(=O)O1 34a_100000210272_100000073702 [0,1,0,1,0,0|2,0,0]=4 20405 B15R1.34 CCCCCCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210614 [0,1,0,1,0,0|2,0,0]=4 20406 B15R1.34 CCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210272_100015189358 [0,1,0,1,0,0|1,0,0]=3 20407 B15R1.34 CCCCCCCOC[C@H]1COC(=O)N1 34a_100000210272_100015307671 [0,1,0,1,0,0|2,0,0]=4 20408 B15R1.34 CCCCCCCOC[C@H]1COC(=O)N1 7a_100000210272_100015307671 [0,1,0,1,0,0|2,0,0]=4 20409 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210316 [0,1,0,1,0,0|2,0,0]=4 20410 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000210614_100000181169 [0,1,0,1,0,0|2,0,0]=4 20411 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210316 [0,1,0,1,0,0|2,0,0]=4 20412 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000210614_100000073702 [0,1,0,1,0,0|2,0,0]=4 20413 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210614_100015189358 [0,1,0,1,0,0|1,0,0]=3 20414 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210316 [0,1,0,1,0,0|1,0,0]=3 20415 B15R1.34 CCCCCCCSC[C@H]1COC(=O)N1 62a_100000210614_100015307671 [0,1,0,1,0,0|2,0,0]=4 20416 B15R1.34 CCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210316 [0,1,0,1,0,0|2,0,0]=4 20417 B15R1.34 CCCCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000743108 [0,1,0,1,0,0|2,0,0]=4 20418 B15R1.34 CCCCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000743108 [0,1,0,1,0,0|2,0,0]=4 20419 B15R1.34 CCCCOCCOCC1CCC(=O)N1 34a_100000737831_100000743108 [0,1,0,1,0,0|2,0,0]=4 20420 B15R1.34 CCCCOCCOC[C@@H]1CCC(=O)N1 7a_100000210238_100015189358 [0,1,0,1,0,0|2,0,0]=4 20421 B15R1.34 CCCCOCCSC[C@@H]1CCC(=O)N1 62a_100000743108_100015189358 [0,1,0,1,0,0|2,0,0]=4 20422 B15R1.34 CCCCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000743108 [0,1,0,1,0,0|2,0,0]=4 20423 B15R1.34 CCCCSCCNC[C@@H]1CCC(=O)N1 2230a_100025743550_100015189358 [0,1,0,1,0,0|2,0,0]=4 20424 B15R1.34 CCCCSCCOC[C@@H]1CCC(=O)N1 7a_200000230436_100015189358 [0,1,0,1,0,0|2,0,0]=4 20425 B15R1.34 CCCOCCCNC[C@@H]1CCC(=O)N1 2230a_100011217757_100015189358 [0,1,0,1,0,0|2,0,0]=4 20426 B15R1.34 CN1CCC(C1)CSCCCCCC=O 62a_100000139337_200000690779 [0,1,0,1,0,0|2,0,0]=4 20427 B15R1.34 CN1CCC(C1)CSCCCCCC=O 62a_200000690779_100000139337 [0,1,0,1,0,0|2,0,0]=4 20428 B15R1.34 COCCCCCCOC1CCC(=O)C1 34a_100012614533_100011998445 [0,1,0,1,0,0|2,0,0]=4 20429 B15R1.34 COCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000747528_100015189358 [0,1,0,1,0,0|2,0,0]=4 20430 B15R1.34 O=C1CCC(C1)OCCCCCCCO 34a_100012614533_100000760002 [0,1,0,1,0,0|2,0,0]=4 20431 B15R1.34 O=C1CCC(N1)COCCCCCCF 34a_100000737831_100015922095 [0,1,0,1,0,0|2,0,0]=4 20432 B15R1.34 O=C1CCC(N1)COCCCCCCO 34a_100000737831_100000766143 [0,1,0,1,0,0|2,0,0]=4 20433 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCF 2230a_100015423886_100015922095 [0,1,0,1,0,0|2,0,0]=4 20434 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCF 34a_100015423886_100015922095 [0,1,0,1,0,0|2,0,0]=4 20435 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCO 2230a_100015423886_100000766143 [0,1,0,1,0,0|2,0,0]=4 20436 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCO 34a_100015423886_100000766143 [0,1,0,1,0,0|2,0,0]=4 20437 B15R1.34 O=C1CC[C@H](N1)CNCCCCCCO 2230a_100000686447_100015189358 [0,1,0,1,0,0|2,0,0]=4 20438 B15R1.34 O=C1CC[C@H](N1)COCCCCCCBr 7a_100011215345_100015189358 [0,1,0,1,0,0|2,0,0]=4 20439 B15R1.34 O=C1CC[C@H](N1)COCCCCCCCl 7a_100000766143_100015189358 [0,1,0,1,0,0|2,0,0]=4 20440 B15R1.34 O=C1CC[C@H](N1)COCCCCCCF 7a_100000732779_100015189358 [0,1,0,1,0,0|2,0,0]=4 20441 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCF 62a_100015189358_100015922095 [0,1,0,1,0,0|2,0,0]=4 20442 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCF 62a_100015922095_100015189358 [0,1,0,1,0,0|2,0,0]=4 20443 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100000766143_100015189358 [0,1,0,1,0,0|2,0,0]=4 20444 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100015189358_100000766143 [0,1,0,1,0,0|2,0,0]=4 20445 B15R1.228 C#CCCCCCCCOCC1CC1C 34a_100000744939_100153394163 [0,1,0,1,0,0|1,0,1]=4 20446 B15R1.228 C#CCCCCCCCOCC1CC1C 7a_100000744939_100153394163 [0,1,0,1,0,0|1,0,1]=4 20447 B15R1.228 C=CCCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011933949 [0,1,0,1,0,0|2,0,0]=4 20448 B15R1.228 C=CCCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011933949 [0,1,0,1,0,0|2,0,0]=4 20449 B15R1.228 C=CCCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011933949 [0,1,0,1,0,0|2,0,0]=4 20450 B15R1.228 C=CCCCCCCCOCC1CC1C 34a_100000744939_100012355270 [0,1,0,1,0,0|1,0,0]=3 20451 B15R1.228 C=CCCCCCCCOCC1CC1C 7a_100000744939_100012355270 [0,1,0,1,0,0|1,0,0]=3 20452 B15R1.228 CC1CC1COCCCCCCCCO 34a_100000744939_100000033203 [0,1,0,1,0,0|0,0,2]=4 20453 B15R1.228 CC1CC1COCCCCCCCCO 7a_100000744939_100000033203 [0,1,0,1,0,0|0,0,2]=4 20454 B15R1.228 CCCCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210320 [0,1,0,1,0,0|1,0,1]=4 20455 B15R1.228 CCCCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210320 [0,1,0,1,0,0|1,0,1]=4 20456 B15R1.228 CCCCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210320 [0,1,0,1,0,0|1,0,1]=4 20457 B15R1.228 CCCCCCCCCOCC1CC1C 34a_100000744939_100011214924 [0,1,0,1,0,0|1,0,1]=4 20458 B15R1.228 CCCCCCCCCOCC1CC1C 7a_100000744939_100000210328 [0,1,0,1,0,0|1,0,1]=4 20459 B15R1.229 BrCCCCCCCCCOC1CCC1 34a_100009813782_100000749161 [0,1,0,1,0,0|1,0,1]=4 20460 B15R1.229 BrCCCCCCCCOCC1CCC1 34a_100009813846_100000763275 [0,1,0,1,0,0|1,0,1]=4 20461 B15R1.229 BrCCCCCCCCOCC1CCC1 7a_100009813846_100000763275 [0,1,0,1,0,0|1,0,1]=4 20462 B15R1.229 C#CCCCCCCCCOC1CCC1 34a_100000065265_100000749161 [0,1,0,1,0,0|1,0,1]=4 20463 B15R1.229 C#CCCCCCCCNCC1CCC1 2230a_100000738700_100153394163 [0,1,0,1,0,0|1,0,1]=4 20464 B15R1.229 C#CCCCCCCCNCC1CCC1 34a_100000738700_100153394163 [0,1,0,1,0,0|1,0,1]=4 20465 B15R1.229 C#CCCCCCCCOCC1CCC1 34a_100000054614_100000763275 [0,1,0,1,0,0|1,0,1]=4 20466 B15R1.229 C#CCCCCCCCOCC1CCC1 34a_100000760304_100153394163 [0,1,0,1,0,0|1,0,1]=4 20467 B15R1.229 C#CCCCCCCCOCC1CCC1 7a_100000054614_100000763275 [0,1,0,1,0,0|1,0,1]=4 20468 B15R1.229 C#CCCCCCCCSCC1CCC1 62a_100000763275_100153394163 [0,1,0,1,0,0|1,0,1]=4 20469 B15R1.229 C#CCCCCCCCSCC1CCC1 62a_100153394163_100000763275 [0,1,0,1,0,0|1,0,1]=4 20470 B15R1.229 C=CCCCCCCCCCN1CCC1 269982a_100000754969_100009814027 [0,1,0,1,0,0|1,0,0]=3 20471 B15R1.229 C=CCCCCCCCCNC1CCC1 2230a_100000749019_100011933949 [0,1,0,1,0,0|1,0,0]=3 20472 B15R1.229 C=CCCCCCCCCNC1CCC1 34a_100000749019_100011933949 [0,1,0,1,0,0|1,0,0]=3 20473 B15R1.229 C=CCCCCCCCCNC1COC1 2230a_100016991112_100011933949 [0,1,0,1,0,0|2,0,0]=4 20474 B15R1.229 C=CCCCCCCCCOC1CCC1 34a_100000748187_100011933949 [0,1,0,1,0,0|1,0,0]=3 20475 B15R1.229 C=CCCCCCCCCOC1CCC1 34a_100011215194_100000749161 [0,1,0,1,0,0|1,0,0]=3 20476 B15R1.229 C=CCCCCCCCCOC1COC1 34a_100011215194_100009818527 [0,1,0,1,0,0|2,0,0]=4 20477 B15R1.229 C=CCCCCCCCCOC1COC1 7a_100011215194_100009818527 [0,1,0,1,0,0|2,0,0]=4 20478 B15R1.229 C=CCCCCCCCCOC1CSC1 7a_100000072292_100011933949 [0,1,0,1,0,0|2,0,0]=4 20479 B15R1.229 C=CCCCCCCCCSC1CCC1 62a_100011933949_100000749161 [0,1,0,1,0,0|1,0,0]=3 20480 B15R1.229 C=CCCCCCCCCSC1COC1 62a_100011933949_100009818527 [0,1,0,1,0,0|2,0,0]=4 20481 B15R1.229 C=CCCCCCCCNCC1CCC1 2230a_100000738700_100012355270 [0,1,0,1,0,0|1,0,0]=3 20482 B15R1.229 C=CCCCCCCCNCC1CCC1 34a_100000738700_100012355270 [0,1,0,1,0,0|1,0,0]=3 20483 B15R1.229 C=CCCCCCCCNCC1COC1 2230a_100015281925_100012355270 [0,1,0,1,0,0|2,0,0]=4 20484 B15R1.229 C=CCCCCCCCNCC1COC1 34a_100015281925_100012355270 [0,1,0,1,0,0|2,0,0]=4 20485 B15R1.229 C=CCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100012355270 [0,1,0,1,0,0|2,0,0]=4 20486 B15R1.229 C=CCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100012355270 [0,1,0,1,0,0|2,0,0]=4 20487 B15R1.229 C=CCCCCCCCOCC1CCC1 34a_100000730831_100000763275 [0,1,0,1,0,0|1,0,0]=3 20488 B15R1.229 C=CCCCCCCCOCC1CCC1 34a_100000760304_100012355270 [0,1,0,1,0,0|1,0,0]=3 20489 B15R1.229 C=CCCCCCCCOCC1CCC1 7a_100000730831_100000763275 [0,1,0,1,0,0|1,0,0]=3 20490 B15R1.229 C=CCCCCCCCOCC1CCO1 34a_100000039022_100012355270 [0,1,0,1,0,0|2,0,0]=4 20491 B15R1.229 C=CCCCCCCCOCC1CCO1 34a_100000730831_100000103362 [0,1,0,1,0,0|2,0,0]=4 20492 B15R1.229 C=CCCCCCCCOCC1CCO1 7a_100000730831_100000103362 [0,1,0,1,0,0|2,0,0]=4 20493 B15R1.229 C=CCCCCCCCOCC1CNC1 34a_100016987283_100012355270 [0,1,0,1,0,0|2,0,0]=4 20494 B15R1.229 C=CCCCCCCCOCC1COC1 34a_100000060846_100012355270 [0,1,0,1,0,0|2,0,0]=4 20495 B15R1.229 C=CCCCCCCCOCC1COC1 34a_100000730831_100010264016 [0,1,0,1,0,0|2,0,0]=4 20496 B15R1.229 C=CCCCCCCCOCC1COC1 7a_100000730831_100010264016 [0,1,0,1,0,0|2,0,0]=4 20497 B15R1.229 C=CCCCCCCCSCC1CCC1 62a_100000763275_100012355270 [0,1,0,1,0,0|1,0,0]=3 20498 B15R1.229 C=CCCCCCCCSCC1CCC1 62a_100012355270_100000763275 [0,1,0,1,0,0|1,0,0]=3 20499 B15R1.229 C=CCCCCCCCSCC1CCO1 62a_100000103362_100012355270 [0,1,0,1,0,0|2,0,0]=4 20500 B15R1.229 C=CCCCCCCCSCC1CCO1 62a_100012355270_100000103362 [0,1,0,1,0,0|2,0,0]=4 20501 B15R1.229 C=CCCCCCCCSCC1COC1 62a_100010264016_100012355270 [0,1,0,1,0,0|2,0,0]=4 20502 B15R1.229 C=CCCCCCCCSCC1COC1 62a_100012355270_100010264016 [0,1,0,1,0,0|2,0,0]=4 20503 B15R1.229 C=CCCCCCCOCCC1COC1 34a_100009855314_100011215473 [0,1,0,1,0,0|2,0,0]=4 20504 B15R1.229 CCCCCCCCCCCN1CCC1 269982a_100000754969_100011215454 [0,1,0,1,0,0|1,0,1]=4 20505 B15R1.229 CCCCCCCCCCNC1CCC1 2230a_100000749019_100000210320 [0,1,0,1,0,0|1,0,1]=4 20506 B15R1.229 CCCCCCCCCCNC1CCC1 270004a_100000684558_100000241760 [0,1,0,1,0,0|1,0,1]=4 20507 B15R1.229 CCCCCCCCCCNC1CCC1 34a_100000684558_100000749161 [0,1,0,1,0,0|1,0,1]=4 20508 B15R1.229 CCCCCCCCCCNC1CCC1 34a_100000749019_100000210320 [0,1,0,1,0,0|1,0,1]=4 20509 B15R1.229 CCCCCCCCCCNC1COC1 2230a_100016991112_100000210320 [0,1,0,1,0,0|2,0,0]=4 20510 B15R1.229 CCCCCCCCCCNC1COC1 34a_100000684558_100009818527 [0,1,0,1,0,0|2,0,0]=4 20511 B15R1.229 CCCCCCCCCCOC1CCC1 34a_100000210711_100000749161 [0,1,0,1,0,0|1,0,1]=4 20512 B15R1.229 CCCCCCCCCCOC1CCC1 34a_100000748187_100000210320 [0,1,0,1,0,0|1,0,1]=4 20513 B15R1.229 CCCCCCCCCCOC1COC1 34a_100000210711_100009818527 [0,1,0,1,0,0|2,0,0]=4 20514 B15R1.229 CCCCCCCCCCOC1COC1 7a_100000210711_100009818527 [0,1,0,1,0,0|2,0,0]=4 20515 B15R1.229 CCCCCCCCCCOC1CSC1 7a_100000072292_100000210320 [0,1,0,1,0,0|2,0,0]=4 20516 B15R1.229 CCCCCCCCCNCC1CCC1 2230a_100000212291_100000763275 [0,1,0,1,0,0|1,0,1]=4 20517 B15R1.229 CCCCCCCCCNCC1CCC1 2230a_100000738700_100011214924 [0,1,0,1,0,0|1,0,1]=4 20518 B15R1.229 CCCCCCCCCNCC1CCC1 269862a_100000212291_100000753134 [0,1,0,1,0,0|1,0,1]=4 20519 B15R1.229 CCCCCCCCCNCC1CCC1 34a_100000212291_100000763275 [0,1,0,1,0,0|1,0,1]=4 20520 B15R1.229 CCCCCCCCCNCC1CCC1 34a_100000738700_100011214924 [0,1,0,1,0,0|1,0,1]=4 20521 B15R1.229 CCCCCCCCCNCC1CCO1 2230a_100000212291_100000103362 [0,1,0,1,0,0|0,0,2]=4 20522 B15R1.229 CCCCCCCCCNCC1CCO1 34a_100000212291_100000103362 [0,1,0,1,0,0|0,0,2]=4 20523 B15R1.229 CCCCCCCCCNCC1COC1 2230a_100000212291_100010264016 [0,1,0,1,0,0|2,0,0]=4 20524 B15R1.229 CCCCCCCCCNCC1COC1 2230a_100015281925_100011214924 [0,1,0,1,0,0|2,0,0]=4 20525 B15R1.229 CCCCCCCCCNCC1COC1 34a_100000212291_100010264016 [0,1,0,1,0,0|2,0,0]=4 20526 B15R1.229 CCCCCCCCCNCC1COC1 34a_100015281925_100011214924 [0,1,0,1,0,0|2,0,0]=4 20527 B15R1.229 CCCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100011214924 [0,1,0,1,0,0|0,0,2]=4 20528 B15R1.229 CCCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100011214924 [0,1,0,1,0,0|0,0,2]=4 20529 B15R1.229 CCCCCCCCCOCC1CCC1 34a_100000210712_100000763275 [0,1,0,1,0,0|1,0,1]=4 20530 B15R1.229 CCCCCCCCCOCC1CCC1 34a_100000760304_100011214924 [0,1,0,1,0,0|1,0,1]=4 20531 B15R1.229 CCCCCCCCCOCC1CCC1 7a_100000210712_100000763275 [0,1,0,1,0,0|1,0,1]=4 20532 B15R1.229 CCCCCCCCCOCC1CCO1 34a_100000039022_100011214924 [0,1,0,1,0,0|0,0,2]=4 20533 B15R1.229 CCCCCCCCCOCC1CCO1 34a_100000210712_100000103362 [0,1,0,1,0,0|0,0,2]=4 20534 B15R1.229 CCCCCCCCCOCC1CCO1 7a_100000210712_100000103362 [0,1,0,1,0,0|0,0,2]=4 20535 B15R1.229 CCCCCCCCCOCC1CNC1 34a_100016987283_100011214924 [0,1,0,1,0,0|2,0,0]=4 20536 B15R1.229 CCCCCCCCCOCC1COC1 34a_100000060846_100011214924 [0,1,0,1,0,0|2,0,0]=4 20537 B15R1.229 CCCCCCCCCOCC1COC1 34a_100000210712_100010264016 [0,1,0,1,0,0|2,0,0]=4 20538 B15R1.229 CCCCCCCCCOCC1COC1 7a_100000210712_100010264016 [0,1,0,1,0,0|2,0,0]=4 20539 B15R1.229 CCCCCCCCCSCC1CCC1 62a_100000763275_100000210670 [0,1,0,1,0,0|1,0,1]=4 20540 B15R1.229 CCCCCCCCCSCC1CCO1 62a_100000103362_100000210670 [0,1,0,1,0,0|0,0,2]=4 20541 B15R1.229 CCCCCCCCCSCC1COC1 62a_100010264016_100000210670 [0,1,0,1,0,0|2,0,0]=4 20542 B15R1.229 CCCCCCCCOCCC1COC1 34a_100009855314_100000210759 [0,1,0,1,0,0|2,0,0]=4 20543 B15R1.229 ClCCCCCCCCCOC1CCC1 34a_100009868337_100000749161 [0,1,0,1,0,0|1,0,1]=4 20544 B15R1.229 ClCCCCCCCCOCC1CCC1 34a_100000033203_100000763275 [0,1,0,1,0,0|1,0,1]=4 20545 B15R1.229 ClCCCCCCCCOCC1CCC1 7a_100000033203_100000763275 [0,1,0,1,0,0|1,0,1]=4 20546 B15R1.229 NCCCCCCCCCOC1CCC1 34a_100000078944_100000749161 [0,1,0,1,0,0|1,0,1]=4 20547 B15R1.229 NCCCCCCCCOCC1CCC1 34a_102515433106_100000763275 [0,1,0,1,0,0|1,0,1]=4 20548 B15R1.229 OCCCCCCCCCCN1CCC1 269982a_100000754969_100009813290 [0,1,0,1,0,0|0,0,2]=4 20549 B15R1.229 OCCCCCCCCCNC1CCC1 2230a_100000749019_100009813782 [0,1,0,1,0,0|0,0,2]=4 20550 B15R1.229 OCCCCCCCCCNC1CCC1 270004a_100000078944_100000241760 [0,1,0,1,0,0|0,0,2]=4 20551 B15R1.229 OCCCCCCCCCNC1CCC1 34a_100000078944_100000749161 [0,1,0,1,0,0|0,0,2]=4 20552 B15R1.229 OCCCCCCCCCNC1CCC1 34a_100000749019_100009813782 [0,1,0,1,0,0|0,0,2]=4 20553 B15R1.229 OCCCCCCCCCOC1CCC1 34a_100000748187_100009813782 [0,1,0,1,0,0|0,0,2]=4 20554 B15R1.229 OCCCCCCCCCSC1CCC1 62a_100009813782_100000749161 [0,1,0,1,0,0|0,0,2]=4 20555 B15R1.229 OCCCCCCCCNCC1CCC1 2230a_100000738700_100000033203 [0,1,0,1,0,0|0,0,2]=4 20556 B15R1.229 OCCCCCCCCNCC1CCC1 2230a_102515433106_100000763275 [0,1,0,1,0,0|0,0,2]=4 20557 B15R1.229 OCCCCCCCCNCC1CCC1 269862a_102515433106_100000753134 [0,1,0,1,0,0|0,0,2]=4 20558 B15R1.229 OCCCCCCCCNCC1CCC1 34a_100000738700_100000033203 [0,1,0,1,0,0|0,0,2]=4 20559 B15R1.229 OCCCCCCCCNCC1CCC1 34a_102515433106_100000763275 [0,1,0,1,0,0|0,0,2]=4 20560 B15R1.229 OCCCCCCCCOCC1CCC1 34a_100000760304_100000033203 [0,1,0,1,0,0|0,0,2]=4 20561 B15R1.229 OCCCCCCCCSCC1CCC1 62a_100000033203_100000763275 [0,1,0,1,0,0|0,0,2]=4 20562 B15R1.229 OCCCCCCCCSCC1CCC1 62a_100000763275_100000033203 [0,1,0,1,0,0|0,0,2]=4 20563 B15R1.273 C=CC(O)COC1CCCCC1CCC 34a_100011217265_100000730141 [0,1,0,1,0,0|2,0,0]=4 20564 B15R1.273 C=CC(O)COC1CCCCC1CCC 7a_100011217265_100000730141 [0,1,0,1,0,0|2,0,0]=4 20565 B15R1.273 C=CCC1CCCCC1NCC(C)CC 269862a_100020588543_100011214939 [0,1,0,1,0,0|2,0,0]=4 20566 B15R1.273 C=CCC1CCCCC1NCC(C)CC 270004a_100020588543_100011214939 [0,1,0,1,0,0|2,0,0]=4 20567 B15R1.273 C=CCC1CCCCC1NCC(O)CC 269862a_100011218483_100011214939 [0,1,0,1,0,0|2,0,0]=4 20568 B15R1.273 C=CCC1CCCCC1NCC(O)CC 270004a_100011218483_100011214939 [0,1,0,1,0,0|2,0,0]=4 20569 B15R1.962 C=CC(C)COCCCC1CCCCC1 34a_100011215527_100011713725 [0,1,0,1,0,0|2,0,0]=4 20570 B15R1.962 C=CC(C)COCCCC1CCCCC1 7a_100011215527_100011713725 [0,1,0,1,0,0|2,0,0]=4 20571 B15R1.962 C=CC(O)CNCCCC1CCCCC1 2230a_100011211642_100000730141 [0,1,0,1,0,0|2,0,0]=4 20572 B15R1.962 C=CC(O)CNCCCC1CCCCC1 34a_100011211642_100000730141 [0,1,0,1,0,0|2,0,0]=4 20573 B15R1.962 C=CC(O)COCCCC1CCCCC1 34a_100000198086_100000730141 [0,1,0,1,0,0|2,0,0]=4 20574 B15R1.962 C=CC(O)COCCCC1CCCCC1 7a_100000198086_100000730141 [0,1,0,1,0,0|2,0,0]=4 20575 B15R1.962 C=CC(O)CSCCCC1CCCCC1 62a_100000730141_100011713725 [0,1,0,1,0,0|2,0,0]=4 20576 B15R1.962 C=CC(O)CSCCCC1CCCCC1 62a_100011713725_100000730141 [0,1,0,1,0,0|2,0,0]=4 20577 B15R1.962 C=C[C@H](N)COCCCC1CCCCC1 34a_100016989147_100011713725 [0,1,0,1,0,0|2,0,0]=4 20578 B15R1.1090 CCC(C)CCNC1CCCCNC1=O 2230a_100020591266_100000735217 [0,1,0,1,0,0|2,0,0]=4 20579 B15R1.1090 CCC(C)CCOC1CCCCCC1=O 7a_100011215188_100000243696 [0,1,0,1,0,0|1,0,0]=3 20580 B15R1.1090 CCC(C)CCOC1CCCCNC1=O 7a_100011215188_100000735217 [0,1,0,1,0,0|2,0,0]=4 20581 B15R1.1090 COC(C)CCOC1CCCCCC1=O 7a_100000764861_100000243696 [0,1,0,1,0,0|2,0,0]=4 20582 B15R1.1091 CCC(C)CCCOC1CCCCC1=O 7a_100011216074_100000204591 [0,1,0,1,0,0|1,0,0]=3 20583 B15R1.1091 CCC(C)CCCOC1CCCNC1=O 7a_100011216074_100000687798 [0,1,0,1,0,0|2,0,0]=4 20584 B15R1.1091 CCC(C)CCCOC1COCCC1=O 7a_100011216074_100012180262 [0,1,0,1,0,0|2,0,0]=4 20585 B15R1.1091 CCC(C)CNCCN1CCCCC1=O 2230a_100160573077_100000748023 [0,1,0,1,0,0|2,0,0]=4 20586 B15R1.1091 CCC(C)CNCCN1CCCCC1=O 270004a_100160573077_100000243153 [0,1,0,1,0,0|2,0,0]=4 20587 B15R1.1091 CCC(C)CNCCN1CCCCC1=O 34a_100160573077_100000748023 [0,1,0,1,0,0|2,0,0]=4 20588 B15R1.1091 CCC(O)CNCCN1CCCCC1=O 2230a_100160573077_100011218378 [0,1,0,1,0,0|2,0,0]=4 20589 B15R1.1091 CCC(O)CNCCN1CCCCC1=O 34a_100160573077_100011218378 [0,1,0,1,0,0|2,0,0]=4 20590 B15R1.1091 CCN(C)CCCSC1CCCCC1=O 62a_100000204591_100015186262 [0,1,0,1,0,0|2,0,0]=4 20591 B15R1.1091 CC[C@H](C)CNCCN1CCCCC1=O 2230a_100160573077_100009816398 [0,1,0,1,0,0|2,0,0]=4 20592 B15R1.1091 CC[C@H](C)CNCCN1CCCCC1=O 34a_100160573077_100009816398 [0,1,0,1,0,0|2,0,0]=4 20593 B15R1.1091 C[C@@H](CN)CCCOC1CCCCC1=O 34a_100160569302_100000754470 [0,1,0,1,0,0|2,0,0]=4 20594 B15R1.1191 C=CCCNC1CCCCC1C(C)CC 269862a_100015191253_100011216798 [0,1,0,1,0,0|2,0,0]=4 20595 B15R1.1950 C=CCCCCCN1CCCC(CC1)C 2230a_100025706717_100000700193 [0,1,0,1,0,0|2,0,0]=4 20596 B15R1.1950 C=CCCCCCN1CCCC(CC1)C 269982a_100025706717_100000700193 [0,1,0,1,0,0|2,0,0]=4 20597 B15R1.1950 C=CCCCCCN1CCCC(CC1)C 34a_100025706717_100000700193 [0,1,0,1,0,0|2,0,0]=4 20598 B15R1.1950 C=CCCCCCN1CCCC(CC1)O 2230a_100015186869_100000700193 [0,1,0,1,0,0|2,0,0]=4 20599 B15R1.1950 C=CCCCCCN1CCCC(CC1)O 269982a_100015186869_100000700193 [0,1,0,1,0,0|2,0,0]=4 20600 B15R1.1950 CC1CCCN(CC1)CCCCCC=O 2230a_100025706717_100000139337 [0,1,0,1,0,0|1,0,0]=3 20601 B15R1.1950 CC1CCCN(CC1)CCCCCC=O 269982a_100025706717_100000139337 [0,1,0,1,0,0|1,0,0]=3 20602 B15R1.1950 CN1CCCN(CC1)CCCCCC=O 2230a_100000211313_100000139337 [0,1,0,1,0,0|2,0,0]=4 20603 B15R1.1950 CN1CCCN(CC1)CCCCCC=O 269982a_100000211313_100000139337 [0,1,0,1,0,0|2,0,0]=4 20604 B15R1.1950 O=CCCCCCN1CCCC(CC1)O 2230a_100015186869_100000139337 [0,1,0,1,0,0|1,0,0]=3 20605 B15R1.1950 O=CCCCCCN1CCCC(CC1)O 269982a_100015186869_100000139337 [0,1,0,1,0,0|1,0,0]=3 20606 B15R1.3174 CCC(C)CCNCCN1CCCC1=O 2230a_100020591266_100000739059 [0,1,0,1,0,0|2,0,0]=4 20607 B15R1.3174 CCC(C)CCOCCN1CCCC1=O 7a_100011215188_100000739059 [0,1,0,1,0,0|2,0,0]=4 20608 B15R1.3174 CCC(C)CNCCCN1CCCC1=O 2230a_100000210347_100000748023 [0,1,0,1,0,0|2,0,0]=4 20609 B15R1.3174 CCC(C)CNCCCN1CCCC1=O 270004a_100000210347_100000243153 [0,1,0,1,0,0|2,0,0]=4 20610 B15R1.3174 CCC(C)CNCCCN1CCCC1=O 34a_100000210347_100000748023 [0,1,0,1,0,0|2,0,0]=4 20611 B15R1.3174 CCC(C)COCCCN1CCCC1=O 34a_100011216539_100000748023 [0,1,0,1,0,0|2,0,0]=4 20612 B15R1.3174 CCC(C)COCCCN1CCCC1=O 7a_100011216539_100000748023 [0,1,0,1,0,0|2,0,0]=4 20613 B15R1.3174 CCC(O)CNCCCN1CCCC1=O 2230a_100000210347_100011218378 [0,1,0,1,0,0|2,0,0]=4 20614 B15R1.3174 CCC(O)CNCCCN1CCCC1=O 34a_100000210347_100011218378 [0,1,0,1,0,0|2,0,0]=4 20615 B15R1.3174 CCC(O)COCCCN1CCCC1=O 34a_100011216539_100011218378 [0,1,0,1,0,0|2,0,0]=4 20616 B15R1.3174 CCC(O)COCCCN1CCCC1=O 7a_100011216539_100011218378 [0,1,0,1,0,0|2,0,0]=4 20617 B15R1.3174 CC[C@H](C)CNCCCN1CCCC1=O 2230a_100000210347_100009816398 [0,1,0,1,0,0|2,0,0]=4 20618 B15R1.3174 CC[C@H](C)CNCCCN1CCCC1=O 34a_100000210347_100009816398 [0,1,0,1,0,0|2,0,0]=4 20619 B15R1.3174 CC[C@H](C)COCCCN1CCCC1=O 34a_100011216539_100009816398 [0,1,0,1,0,0|2,0,0]=4 20620 B15R1.3174 CC[C@H](C)COCCCN1CCCC1=O 7a_100011216539_100009816398 [0,1,0,1,0,0|2,0,0]=4 20621 B15R1.3179 CCC(C)CCCCCOC1CCC1=O 7a_200000035636_100009892977 [0,1,0,1,0,0|1,0,0]=3 20622 B15R1.3179 CCC(C)CCCOCCC1CCC1=O 7a_100011216074_200016118888 [0,1,0,1,0,0|1,0,0]=3 20623 B15R1.3179 CCN(C)CCCSCCC1CCC1=O 62a_200016118888_100015186262 [0,1,0,1,0,0|2,0,0]=4 20624 B15R1.3523 C#CCCCCCCCOC1CCC1=O 34a_100000054614_100009892977 [0,1,0,1,0,0|0,0,2]=4 20625 B15R1.3523 C#CCCCCCCCOC1CCC1=O 7a_100000054614_100009892977 [0,1,0,1,0,0|0,0,2]=4 20626 B15R1.3523 C#CCCCCCCCSC1CCC1=O 62a_100009892977_100153394163 [0,1,0,1,0,0|0,0,2]=4 20627 B15R1.3523 C#CCCCCCCCSC1CCC1=O 62a_100153394163_100009892977 [0,1,0,1,0,0|0,0,2]=4 20628 B15R1.3523 C#CCCCCCOCCC1CCC1=O 7a_100000766912_200016118888 [0,1,0,1,0,0|0,0,2]=4 20629 B15R1.3523 C#CCCCCCSCCC1CCC1=O 62a_100012094781_200016118888 [0,1,0,1,0,0|0,0,2]=4 20630 B15R1.3523 C#CCCCCCSCCC1CCC1=O 62a_200016118888_100012094781 [0,1,0,1,0,0|0,0,2]=4 20631 B15R1.3523 C=CCCCCCCCCN1CCC1C 269982a_100000755817_100011933949 [0,1,0,1,0,0|1,0,0]=3 20632 B15R1.3523 C=CCCCCCCCCN1CCC1C 34a_100000755817_100011933949 [0,1,0,1,0,0|1,0,0]=3 20633 B15R1.3523 C=CCCCCCCCOC1CCC1=O 34a_100000730831_100009892977 [0,1,0,1,0,0|0,0,2]=4 20634 B15R1.3523 C=CCCCCCCCOC1CCC1=O 7a_100000730831_100009892977 [0,1,0,1,0,0|0,0,2]=4 20635 B15R1.3523 C=CCCCCCCCSC1CCC1=O 62a_100009892977_100012355270 [0,1,0,1,0,0|0,0,2]=4 20636 B15R1.3523 C=CCCCCCCCSC1CCC1=O 62a_100012355270_100009892977 [0,1,0,1,0,0|0,0,2]=4 20637 B15R1.3523 C=CCCCCCOCCC1CCC1=O 7a_100011216702_200016118888 [0,1,0,1,0,0|0,0,2]=4 20638 B15R1.3523 C=CCCCCCSCCC1CCC1=O 62a_100000700193_200016118888 [0,1,0,1,0,0|0,0,2]=4 20639 B15R1.3523 C=CCCCCCSCCC1CCC1=O 62a_200016118888_100000700193 [0,1,0,1,0,0|0,0,2]=4 20640 B15R1.3523 CC/C=C/CCCOCCC1CCC1=O 7a_100016287902_200016118888 [0,1,0,1,0,0|0,0,2]=4 20641 B15R1.3523 CC/C=C\CCCCCOC1CCC1=O 34a_100016268722_100009892977 [0,1,0,1,0,0|0,0,2]=4 20642 B15R1.3523 CC/C=C\CCCCCOC1CCC1=O 7a_100016268722_100009892977 [0,1,0,1,0,0|0,0,2]=4 20643 B15R1.3523 CC1CCN1CCCCCCCCCO 269982a_100000755817_100009813782 [0,1,0,1,0,0|0,0,2]=4 20644 B15R1.3523 CC1CCN1CCCCCCCCCO 34a_100000755817_100009813782 [0,1,0,1,0,0|0,0,2]=4 20645 B15R1.3523 CCCC#CCCOCCC1CCC1=O 7a_100000042726_200016118888 [0,1,0,1,0,0|0,0,2]=4 20646 B15R1.3523 CCCC/C=C/COCCC1CCC1=O 7a_200016272032_200016118888 [0,1,0,1,0,0|0,0,2]=4 20647 B15R1.3523 CCCCC#CCCCSC1CCC1=O 62a_100009892977_200000047210 [0,1,0,1,0,0|0,0,2]=4 20648 B15R1.3523 CCCCC#CCCCSC1CCC1=O 62a_200000047210_100009892977 [0,1,0,1,0,0|0,0,2]=4 20649 B15R1.3523 CCCCC#CCOCCC1CCC1=O 7a_200000034558_200016118888 [0,1,0,1,0,0|0,0,2]=4 20650 B15R1.3523 CCCCC/C=C\CCOC1CCC1=O 34a_100016277358_100009892977 [0,1,0,1,0,0|0,0,2]=4 20651 B15R1.3523 CCCCC/C=C\CCOC1CCC1=O 7a_100016277358_100009892977 [0,1,0,1,0,0|0,0,2]=4 20652 B15R1.3523 CCCCCC#CCCOC1CCC1=O 34a_200000042877_100009892977 [0,1,0,1,0,0|0,0,2]=4 20653 B15R1.3523 CCCCCC#CCCOC1CCC1=O 7a_200000042877_100009892977 [0,1,0,1,0,0|0,0,2]=4 20654 B15R1.3523 CCCCCC/C=C/COC1CCC1=O 34a_200016276170_100009892977 [0,1,0,1,0,0|0,0,2]=4 20655 B15R1.3523 CCCCCC/C=C/COC1CCC1=O 7a_200016276170_100009892977 [0,1,0,1,0,0|0,0,2]=4 20656 B15R1.3523 CCCCCCC#CCOC1CCC1=O 34a_200000037284_100009892977 [0,1,0,1,0,0|0,0,2]=4 20657 B15R1.3523 CCCCCCC#CCOC1CCC1=O 7a_200000037284_100009892977 [0,1,0,1,0,0|0,0,2]=4 20658 B15R1.3523 CCCCCCCCCCN1CCC1C 269982a_100000755817_100000210320 [0,1,0,1,0,0|1,0,1]=4 20659 B15R1.3523 CCCCCCCCCCN1CCC1C 34a_100000755817_100000210320 [0,1,0,1,0,0|1,0,1]=4 20660 B15R1.3523 CCCCCCCCCNC1CCC1=O 34a_100000212291_100009892977 [0,1,0,1,0,0|0,0,0]=2 20661 B15R1.3523 CCCCCCCCCOC1CCC1=O 34a_100000210712_100009892977 [0,1,0,1,0,0|0,0,0]=2 20662 B15R1.3523 CCCCCCCCCOC1CCC1=O 7a_100000210712_100009892977 [0,1,0,1,0,0|0,0,0]=2 20663 B15R1.3523 CCCCCCCCCSC1CCC1=O 62a_100009892977_100000210670 [0,1,0,1,0,0|0,0,0]=2 20664 B15R1.3523 CCCCCCCNCCC1CCC1=O 2230a_100000229938_200016118888 [0,1,0,1,0,0|0,0,0]=2 20665 B15R1.3523 CCCCCCCOCCC1CCC1=O 7a_100000210272_200016118888 [0,1,0,1,0,0|0,0,0]=2 20666 B15R1.3523 CCCCCCCSCCC1CCC1=O 62a_100000210614_200016118888 [0,1,0,1,0,0|0,0,0]=2 20667 B15R1.3523 CCCCCCCSCCC1CCC1=O 62a_200016118888_100000210316 [0,1,0,1,0,0|0,0,0]=2 20668 B15R1.3523 CCCCCCOCCOC1CCC1=O 34a_100000691444_100009892977 [0,1,0,1,0,0|1,0,0]=3 20669 B15R1.3523 CCCCCCOCCOC1CCC1=O 7a_100000691444_100009892977 [0,1,0,1,0,0|1,0,0]=3 20670 B15R1.3523 CCCCNCCCCOC1CCC1=O 34a_200011216965_100009892977 [0,1,0,1,0,0|1,0,0]=3 20671 B15R1.3523 CCCCOCCCCOC1CCC1=O 34a_200000760531_100009892977 [0,1,0,1,0,0|1,0,0]=3 20672 B15R1.3523 CCCCOCCCCOC1CCC1=O 7a_200000760531_100009892977 [0,1,0,1,0,0|1,0,0]=3 20673 B15R1.3523 CCCCOCCOCCC1CCC1=O 7a_100000210238_200016118888 [0,1,0,1,0,0|1,0,0]=3 20674 B15R1.3523 CCCCOCCSCCC1CCC1=O 62a_100000743108_200016118888 [0,1,0,1,0,0|1,0,0]=3 20675 B15R1.3523 CCCCOCCSCCC1CCC1=O 62a_200016118888_100000743108 [0,1,0,1,0,0|1,0,0]=3 20676 B15R1.3523 CCCCSCCNCCC1CCC1=O 2230a_100025743550_200016118888 [0,1,0,1,0,0|1,0,0]=3 20677 B15R1.3523 CCCCSCCOCCC1CCC1=O 7a_200000230436_200016118888 [0,1,0,1,0,0|1,0,0]=3 20678 B15R1.3523 CCCOCCCNCCC1CCC1=O 2230a_100011217757_200016118888 [0,1,0,1,0,0|1,0,0]=3 20679 B15R1.3523 CCCOCCOCCNC1CCC1=O 34a_200011904461_100009892977 [0,1,0,1,0,0|2,0,0]=4 20680 B15R1.3523 COCCCCCNCCC1CCC1=O 2230a_100000747528_200016118888 [0,1,0,1,0,0|1,0,0]=3 20681 B15R1.3523 COCCCOCCCOC1CCC1=O 34a_200011215475_100009892977 [0,1,0,1,0,0|2,0,0]=4 20682 B15R1.3523 COCCCOCCCOC1CCC1=O 7a_200011215475_100009892977 [0,1,0,1,0,0|2,0,0]=4 20683 B15R1.3523 COCCOCCNCCC1CCC1=O 2230a_100000745349_200016118888 [0,1,0,1,0,0|2,0,0]=4 20684 B15R1.3523 COCCOCCOCCC1CCC1=O 7a_100011215163_200016118888 [0,1,0,1,0,0|2,0,0]=4 20685 B15R1.3523 COCCOCCSCCC1CCC1=O 62a_100000695917_200016118888 [0,1,0,1,0,0|2,0,0]=4 20686 B15R1.3523 COCCOCCSCCC1CCC1=O 62a_200016118888_100000695917 [0,1,0,1,0,0|2,0,0]=4 20687 B15R1.3523 N#CCCCCCSCCC1CCC1=O 62a_100009813376_200016118888 [0,1,0,1,0,0|1,0,1]=4 20688 B15R1.3523 N#CCCCCCSCCC1CCC1=O 62a_200016118888_100009813376 [0,1,0,1,0,0|1,0,1]=4 20689 B15R1.3523 NCCCCCCCCOC1CCC1=O 34a_102515433106_100009892977 [0,1,0,1,0,0|1,0,0]=3 20690 B15R1.3523 NCCNCCCCCOC1CCC1=O 34a_103619048469_100009892977 [0,1,0,1,0,0|2,0,0]=4 20691 B15R1.3523 O=C1CCC1CCNCCCCCCO 2230a_100000686447_200016118888 [0,1,0,1,0,0|1,0,0]=3 20692 B15R1.3523 O=C1CCC1CCOCCCCCCBr 7a_100011215345_200016118888 [0,1,0,1,0,0|1,0,0]=3 20693 B15R1.3523 O=C1CCC1CCOCCCCCCCl 7a_100000766143_200016118888 [0,1,0,1,0,0|1,0,0]=3 20694 B15R1.3523 O=C1CCC1CCOCCCCCCF 7a_100000732779_200016118888 [0,1,0,1,0,0|1,0,0]=3 20695 B15R1.3523 O=C1CCC1CCSCCCCCCF 62a_100015922095_200016118888 [0,1,0,1,0,0|1,0,0]=3 20696 B15R1.3523 O=C1CCC1CCSCCCCCCF 62a_200016118888_100015922095 [0,1,0,1,0,0|1,0,0]=3 20697 B15R1.3523 O=C1CCC1CCSCCCCCCO 62a_100000766143_200016118888 [0,1,0,1,0,0|1,0,0]=3 20698 B15R1.3523 O=C1CCC1CCSCCCCCCO 62a_200016118888_100000766143 [0,1,0,1,0,0|1,0,0]=3 20699 B15R1.3523 O=C1CCC1NCCCCCCCCO 34a_102515433106_100009892977 [0,1,0,1,0,0|1,0,0]=3 20700 B15R1.3523 O=C1CCC1OCCCCCCCCBr 34a_100009813846_100009892977 [0,1,0,1,0,0|1,0,0]=3 20701 B15R1.3523 O=C1CCC1OCCCCCCCCBr 7a_100009813846_100009892977 [0,1,0,1,0,0|1,0,0]=3 20702 B15R1.3523 O=C1CCC1OCCCCCCCCCl 34a_100000033203_100009892977 [0,1,0,1,0,0|1,0,0]=3 20703 B15R1.3523 O=C1CCC1OCCCCCCCCCl 7a_100000033203_100009892977 [0,1,0,1,0,0|1,0,0]=3 20704 B15R1.3523 O=C1CCC1SCCCCCCCCO 62a_100000033203_100009892977 [0,1,0,1,0,0|1,0,0]=3 20705 B15R1.3523 O=C1CCC1SCCCCCCCCO 62a_100009892977_100000033203 [0,1,0,1,0,0|1,0,0]=3 20706 B15R1.3523 O=CCCCCCSCCC1CCC1=O 62a_100000139337_200016118888 [0,1,0,1,0,0|1,0,1]=4 20707 B15R1.3523 O=CCCCCCSCCC1CCC1=O 62a_200016118888_100000139337 [0,1,0,1,0,0|1,0,1]=4 20708 B15R1.3526 C[C@]1(CCCN1CCCCCC=O)CO 2230a_100016195882_100000139337 [0,1,0,1,0,0|2,0,0]=4 20709 B15R1.3526 C[C@]1(CCCN1CCCCCC=O)CO 269982a_100016195882_100000139337 [0,1,0,1,0,0|2,0,0]=4 20710 B15R1.6366 CCCCCNC1CCCCN(C1=O)C 2230a_100159325733_100000210326 [0,1,0,1,0,0|2,0,0]=4 20711 B15R1.6366 CCCCCNC1CCCCN(C1=O)C 34a_100159325733_100000718602 [0,1,0,1,0,0|2,0,0]=4 20712 B15R1.6371 C=CCCCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100012355270 [0,1,0,1,0,0|2,0,0]=4 20713 B15R1.6371 C=CCCCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100012355270 [0,1,0,1,0,0|2,0,0]=4 20714 B15R1.9279 CCCCCCCNC1CCN(C1=O)C 2230a_100000229938_100000755940 [0,1,0,1,0,0|2,0,0]=4 20715 B15R1.9279 CCCCCCCOC1CCN(C1=O)C 34a_100000210272_100000755940 [0,1,0,1,0,0|2,0,0]=4 20716 B15R1.9279 CCCCCCCOC1CCN(C1=O)C 7a_100000210272_100000755940 [0,1,0,1,0,0|2,0,0]=4 20717 B15R1.9279 CCCCCCCSC1CCN(C1=O)C 62a_100000210614_100000755940 [0,1,0,1,0,0|2,0,0]=4 20718 B15R1.9279 CCCCCCCSC1CCN(C1=O)C 62a_100000755940_100000210316 [0,1,0,1,0,0|2,0,0]=4 20719 B15R1.9279 CCCCCCOCC1CCN(C1=O)C 34a_100009823153_100000210314 [0,1,0,1,0,0|2,0,0]=4 20720 B15R1.11842 C=CCCCCCCCCNC1(CC1)C 2230a_100000757604_100011933949 [0,1,0,1,0,0|2,0,0]=4 20721 B15R1.11842 C=CCCCCCCCCOC1(CC1)C 7a_100011725673_100011933949 [0,1,0,1,0,0|2,0,0]=4 20722 B15R1.11842 C=CCCCCCCCNCC1(CC1)C 2230a_100000766693_100012355270 [0,1,0,1,0,0|2,0,0]=4 20723 B15R1.11842 C=CCCCCCCCNCC1(CC1)O 2230a_100011936951_100012355270 [0,1,0,1,0,0|2,0,0]=4 20724 B15R1.11842 C=CCCCCCCCOCC1(CC1)C 7a_100000698024_100012355270 [0,1,0,1,0,0|2,0,0]=4 20725 B15R1.11842 C=CCCCCCCCOCC1(CC1)F 34a_200000703853_100012355270 [0,1,0,1,0,0|2,0,0]=4 20726 B15R1.11842 C=CCCCCCCCOCC1(CC1)F 7a_200000703853_100012355270 [0,1,0,1,0,0|2,0,0]=4 20727 B15R1.11890 C=CCCCCCCCN1CC(C1)CC 2230a_100015205115_100012355270 [0,1,0,1,0,0|2,0,0]=4 20728 B15R1.11890 C=CCCCCCCCN1CC(C1)CC 269982a_100015205115_100012355270 [0,1,0,1,0,0|2,0,0]=4 20729 B15R1.12309 C=CC(O)CNCCC1CCCCCC1 2230a_100011532351_100000730141 [0,1,0,1,0,0|2,0,0]=4 20730 B15R1.12309 C=CC(O)CNCCC1CCCCCC1 34a_100011532351_100000730141 [0,1,0,1,0,0|2,0,0]=4 20731 B15R1.12436 C=CC(O)COCC1CCCCCCC1 34a_100011216312_100000730141 [0,1,0,1,0,0|2,0,0]=4 20732 B15R1.12436 C=CC(O)COCC1CCCCCCC1 7a_100011216312_100000730141 [0,1,0,1,0,0|2,0,0]=4 20733 B15R1.35 BrCCCCCCCOC1C=CCCC1 7a_100000760002_100000751183 [0,1,0,1,0,0|2,0,0]=4 20734 B15R1.35 BrCCCCCCCOC1CCCCC1 34a_100000760002_100000210327 [0,1,0,1,0,0|1,0,1]=4 20735 B15R1.35 BrCCCCCCCOC1CCCCC1 7a_100000760002_100000210327 [0,1,0,1,0,0|1,0,1]=4 20736 B15R1.35 BrCCCCCCOCC1CCCCC1 34a_100011215345_100000211423 [0,1,0,1,0,0|1,0,1]=4 20737 B15R1.35 BrCCCCCCOCC1CCCCC1 7a_100011215345_100000211423 [0,1,0,1,0,0|1,0,1]=4 20738 B15R1.35 BrCCCCCOCCC1CCCCC1 34a_100000746331_100011209188 [0,1,0,1,0,0|1,0,1]=4 20739 B15R1.35 BrCCCCCOCCC1CCCCC1 7a_100000746331_100011273959 [0,1,0,1,0,0|1,0,1]=4 20740 B15R1.35 BrCCCCOCCCC1CCCCC1 34a_100011216708_100011713725 [0,1,0,1,0,0|1,0,1]=4 20741 B15R1.35 C#CCCCCCCNC1CCCCC1 2230a_100000182618_100012276617 [0,1,0,1,0,0|1,0,1]=4 20742 B15R1.35 C#CCCCCCCNC1CCCCC1 34a_100000182618_100012276617 [0,1,0,1,0,0|1,0,1]=4 20743 B15R1.35 C#CCCCCCCOC1CCCCC1 34a_100000210231_100012276617 [0,1,0,1,0,0|1,0,1]=4 20744 B15R1.35 C#CCCCCCCOC1CCCCC1 34a_100011217361_100000210327 [0,1,0,1,0,0|1,0,1]=4 20745 B15R1.35 C#CCCCCCCOC1CCCCC1 7a_100000210231_100012276617 [0,1,0,1,0,0|1,0,1]=4 20746 B15R1.35 C#CCCCCCCOC1CCCCC1 7a_100011217361_100000210327 [0,1,0,1,0,0|1,0,1]=4 20747 B15R1.35 C#CCCCCCCSC1CCCCC1 62a_100000210327_100012276617 [0,1,0,1,0,0|1,0,1]=4 20748 B15R1.35 C#CCCCCCCSC1CCCCC1 62a_100012276617_100000210327 [0,1,0,1,0,0|1,0,1]=4 20749 B15R1.35 C#CCCCCCNCC1CCCCC1 2230a_100000210473_100012094781 [0,1,0,1,0,0|1,0,1]=4 20750 B15R1.35 C#CCCCCCNCC1CCCCC1 34a_100000210473_100012094781 [0,1,0,1,0,0|1,0,1]=4 20751 B15R1.35 C#CCCCCCOCC1CCCCC1 34a_100000212181_100012094781 [0,1,0,1,0,0|1,0,1]=4 20752 B15R1.35 C#CCCCCCOCC1CCCCC1 34a_100000766912_100000211423 [0,1,0,1,0,0|1,0,1]=4 20753 B15R1.35 C#CCCCCCOCC1CCCCC1 7a_100000212181_100012094781 [0,1,0,1,0,0|1,0,1]=4 20754 B15R1.35 C#CCCCCCOCC1CCCCC1 7a_100000766912_100000211423 [0,1,0,1,0,0|1,0,1]=4 20755 B15R1.35 C#CCCCCCSCC1CCCCC1 62a_100000211423_100012094781 [0,1,0,1,0,0|1,0,1]=4 20756 B15R1.35 C#CCCCCCSCC1CCCCC1 62a_100012094781_100000211423 [0,1,0,1,0,0|1,0,1]=4 20757 B15R1.35 C#CCCCCNCCC1CCCCC1 2230a_100000706060_100012355289 [0,1,0,1,0,0|1,0,1]=4 20758 B15R1.35 C#CCCCCNCCC1CCCCC1 2230a_100000738074_100010269958 [0,1,0,1,0,0|1,0,1]=4 20759 B15R1.35 C#CCCCCNCCC1CCCCC1 34a_100000706060_100011209188 [0,1,0,1,0,0|1,0,1]=4 20760 B15R1.35 C#CCCCCNCCC1CCCCC1 34a_100000738074_100010269958 [0,1,0,1,0,0|1,0,1]=4 20761 B15R1.35 C#CCCCCOCCC1CCCCC1 34a_100000766709_100011209188 [0,1,0,1,0,0|1,0,1]=4 20762 B15R1.35 C#CCCCCOCCC1CCCCC1 34a_100011217863_100010269958 [0,1,0,1,0,0|1,0,1]=4 20763 B15R1.35 C#CCCCCOCCC1CCCCC1 7a_100000766709_100011273959 [0,1,0,1,0,0|1,0,1]=4 20764 B15R1.35 C#CCCCCOCCC1CCCCC1 7a_100011217863_100010269958 [0,1,0,1,0,0|1,0,1]=4 20765 B15R1.35 C#CCCCCSCCC1CCCCC1 62a_100010269958_100012355289 [0,1,0,1,0,0|1,0,1]=4 20766 B15R1.35 C#CCCCCSCCC1CCCCC1 62a_100012355289_100010269958 [0,1,0,1,0,0|1,0,1]=4 20767 B15R1.35 C#CCCCNCCCC1CCCCC1 2230a_100011211642_100000731252 [0,1,0,1,0,0|1,0,1]=4 20768 B15R1.35 C#CCCCNCCCC1CCCCC1 34a_100000718082_100011713725 [0,1,0,1,0,0|1,0,1]=4 20769 B15R1.35 C#CCCCNCCCC1CCCCC1 34a_100011211642_100000695029 [0,1,0,1,0,0|1,0,1]=4 20770 B15R1.35 C#CCCCOCCCC1CCCCC1 34a_100000198086_100000695029 [0,1,0,1,0,0|1,0,1]=4 20771 B15R1.35 C#CCCCOCCCC1CCCCC1 34a_100000215630_100011713725 [0,1,0,1,0,0|1,0,1]=4 20772 B15R1.35 C#CCCCOCCCC1CCCCC1 7a_100000198086_100011215417 [0,1,0,1,0,0|1,0,1]=4 20773 B15R1.35 C#CCCCOCCCC1CCCCC1 7a_100000215630_100011713725 [0,1,0,1,0,0|1,0,1]=4 20774 B15R1.35 C#CCCCSCCCC1CCCCC1 62a_100011215417_100011713725 [0,1,0,1,0,0|1,0,1]=4 20775 B15R1.35 C#CCCCSCCCC1CCCCC1 62a_100011713725_100011215417 [0,1,0,1,0,0|1,0,1]=4 20776 B15R1.35 C#CCCOCCCCC1CCCCC1 34a_100011215267_100000688953 [0,1,0,1,0,0|1,0,1]=4 20777 B15R1.35 C#CCCOCCCCC1CCCCC1 7a_100011215267_100000688953 [0,1,0,1,0,0|1,0,1]=4 20778 B15R1.35 C/C=C/CCOCCCC1CCCCC1 34a_100016278192_100011713725 [0,1,0,1,0,0|1,0,1]=4 20779 B15R1.35 C/C=C/COCCCCC1CCCCC1 34a_100011215267_100102629194 [0,1,0,1,0,0|1,0,1]=4 20780 B15R1.35 C/C=C/COCCCCC1CCCCC1 7a_100011215267_100102629194 [0,1,0,1,0,0|1,0,1]=4 20781 B15R1.35 C=CCCCCCCCN1CCCOC1 2230a_100000131196_100012355270 [0,1,0,1,0,0|2,0,0]=4 20782 B15R1.35 C=CCCCCCCCN1CCCOC1 269982a_100000131196_100012355270 [0,1,0,1,0,0|2,0,0]=4 20783 B15R1.35 C=CCCCCCCCN1CCCOC1 34a_100000131196_100012355270 [0,1,0,1,0,0|2,0,0]=4 20784 B15R1.35 C=CCCCCCCCN1CCOCC1 2230a_100015191051_100012355270 [0,1,0,1,0,0|2,0,0]=4 20785 B15R1.35 C=CCCCCCCCN1CCOCC1 269982a_100015191051_100012355270 [0,1,0,1,0,0|2,0,0]=4 20786 B15R1.35 C=CCCCCCCCN1CCOCC1 34a_100015191051_100012355270 [0,1,0,1,0,0|2,0,0]=4 20787 B15R1.35 C=CCCCCCCCN1CCSCC1 2230a_100000737611_100012355270 [0,1,0,1,0,0|2,0,0]=4 20788 B15R1.35 C=CCCCCCCCN1CCSCC1 269982a_100000737611_100012355270 [0,1,0,1,0,0|2,0,0]=4 20789 B15R1.35 C=CCCCCCCNC1CCCCC1 2230a_100000182618_100011215473 [0,1,0,1,0,0|1,0,0]=3 20790 B15R1.35 C=CCCCCCCNC1CCCCC1 34a_100000182618_100011215473 [0,1,0,1,0,0|1,0,0]=3 20791 B15R1.35 C=CCCCCCCNC1CCCOC1 2230a_100000719290_100011215473 [0,1,0,1,0,0|2,0,0]=4 20792 B15R1.35 C=CCCCCCCNC1CCCOC1 34a_100000719290_100011215473 [0,1,0,1,0,0|2,0,0]=4 20793 B15R1.35 C=CCCCCCCNC1CCOCC1 2230a_100000741149_100011215473 [0,1,0,1,0,0|2,0,0]=4 20794 B15R1.35 C=CCCCCCCNC1CCOCC1 34a_100000741149_100011215473 [0,1,0,1,0,0|2,0,0]=4 20795 B15R1.35 C=CCCCCCCNC1CCSCC1 2230a_100000748639_100011215473 [0,1,0,1,0,0|2,0,0]=4 20796 B15R1.35 C=CCCCCCCNC1CCSCC1 34a_100000748639_100011215473 [0,1,0,1,0,0|2,0,0]=4 20797 B15R1.35 C=CCCCCCCOC1CCCCC1 34a_100000210231_100011215473 [0,1,0,1,0,0|1,0,0]=3 20798 B15R1.35 C=CCCCCCCOC1CCCCC1 34a_200011216477_100000210327 [0,1,0,1,0,0|1,0,0]=3 20799 B15R1.35 C=CCCCCCCOC1CCCCC1 7a_100000210231_100011215473 [0,1,0,1,0,0|1,0,0]=3 20800 B15R1.35 C=CCCCCCCOC1CCCCC1 7a_200011216477_100000210327 [0,1,0,1,0,0|1,0,0]=3 20801 B15R1.35 C=CCCCCCCOC1CCCCO1 34a_100000033831_100011215473 [0,1,0,1,0,0|2,0,0]=4 20802 B15R1.35 C=CCCCCCCOC1CCCOC1 34a_100000754041_100011215473 [0,1,0,1,0,0|2,0,0]=4 20803 B15R1.35 C=CCCCCCCOC1CCCOC1 34a_200011216477_100000693364 [0,1,0,1,0,0|2,0,0]=4 20804 B15R1.35 C=CCCCCCCOC1CCCOC1 7a_200011216477_100000693364 [0,1,0,1,0,0|2,0,0]=4 20805 B15R1.35 C=CCCCCCCOC1CCCSC1 7a_100015962668_100011215473 [0,1,0,1,0,0|2,0,0]=4 20806 B15R1.35 C=CCCCCCCOC1CCOCC1 34a_100000744328_100011215473 [0,1,0,1,0,0|2,0,0]=4 20807 B15R1.35 C=CCCCCCCOC1CCOCC1 7a_200011216477_100000686592 [0,1,0,1,0,0|2,0,0]=4 20808 B15R1.35 C=CCCCCCCOC1CCSCC1 34a_100000731022_100011215473 [0,1,0,1,0,0|2,0,0]=4 20809 B15R1.35 C=CCCCCCCOC1CCSCC1 34a_200011216477_100000069128 [0,1,0,1,0,0|2,0,0]=4 20810 B15R1.35 C=CCCCCCCOC1CCSCC1 7a_100000731022_100011215473 [0,1,0,1,0,0|2,0,0]=4 20811 B15R1.35 C=CCCCCCCOC1CCSCC1 7a_200011216477_100011500858 [0,1,0,1,0,0|2,0,0]=4 20812 B15R1.35 C=CCCCCCCSC1CCCCC1 62a_100000210327_100011215473 [0,1,0,1,0,0|1,0,0]=3 20813 B15R1.35 C=CCCCCCCSC1CCCCC1 62a_100011215473_100000210327 [0,1,0,1,0,0|1,0,0]=3 20814 B15R1.35 C=CCCCCCCSC1CCCOC1 62a_100011215473_100000693364 [0,1,0,1,0,0|2,0,0]=4 20815 B15R1.35 C=CCCCCCCSC1CCOCC1 62a_100011215473_100011324220 [0,1,0,1,0,0|2,0,0]=4 20816 B15R1.35 C=CCCCCCCSC1CCSCC1 62a_100011215473_100000069128 [0,1,0,1,0,0|2,0,0]=4 20817 B15R1.35 C=CCCCCCNCC1CCCCC1 2230a_100000210473_100000700193 [0,1,0,1,0,0|1,0,0]=3 20818 B15R1.35 C=CCCCCCNCC1CCCCC1 34a_100000210473_100000700193 [0,1,0,1,0,0|1,0,0]=3 20819 B15R1.35 C=CCCCCCNCC1CCCCO1 2230a_100000174945_100000700193 [0,1,0,1,0,0|2,0,0]=4 20820 B15R1.35 C=CCCCCCNCC1CCCCO1 34a_100000174945_100000700193 [0,1,0,1,0,0|2,0,0]=4 20821 B15R1.35 C=CCCCCCNCC1CCCOC1 2230a_100000720124_100000700193 [0,1,0,1,0,0|2,0,0]=4 20822 B15R1.35 C=CCCCCCNCC1CCCOC1 34a_100000720124_100000700193 [0,1,0,1,0,0|2,0,0]=4 20823 B15R1.35 C=CCCCCCNCC1CCOCC1 2230a_100000746373_100000700193 [0,1,0,1,0,0|2,0,0]=4 20824 B15R1.35 C=CCCCCCNCC1CCOCC1 34a_100000746373_100000700193 [0,1,0,1,0,0|2,0,0]=4 20825 B15R1.35 C=CCCCCCNCC1CCSCC1 2230a_100015188806_100000700193 [0,1,0,1,0,0|2,0,0]=4 20826 B15R1.35 C=CCCCCCNCC1CCSCC1 34a_100015188806_100000700193 [0,1,0,1,0,0|2,0,0]=4 20827 B15R1.35 C=CCCCCCOCC1CCCCC1 34a_100000212181_100000700193 [0,1,0,1,0,0|1,0,0]=3 20828 B15R1.35 C=CCCCCCOCC1CCCCC1 34a_100011216702_100000211423 [0,1,0,1,0,0|1,0,0]=3 20829 B15R1.35 C=CCCCCCOCC1CCCCC1 7a_100000212181_100000700193 [0,1,0,1,0,0|1,0,0]=3 20830 B15R1.35 C=CCCCCCOCC1CCCCC1 7a_100011216702_100000211423 [0,1,0,1,0,0|1,0,0]=3 20831 B15R1.35 C=CCCCCCOCC1CCCCN1 34a_100000210821_100000700193 [0,1,0,1,0,0|2,0,0]=4 20832 B15R1.35 C=CCCCCCOCC1CCCCO1 34a_100000211370_100000700193 [0,1,0,1,0,0|2,0,0]=4 20833 B15R1.35 C=CCCCCCOCC1CCCCO1 34a_100011216702_100000211543 [0,1,0,1,0,0|2,0,0]=4 20834 B15R1.35 C=CCCCCCOCC1CCCCO1 7a_100000211370_100000700193 [0,1,0,1,0,0|2,0,0]=4 20835 B15R1.35 C=CCCCCCOCC1CCCCO1 7a_100011216702_100000211543 [0,1,0,1,0,0|2,0,0]=4 20836 B15R1.35 C=CCCCCCOCC1CCCNC1 34a_100000211344_100000700193 [0,1,0,1,0,0|2,0,0]=4 20837 B15R1.35 C=CCCCCCOCC1CCCOC1 34a_100000741520_100000700193 [0,1,0,1,0,0|2,0,0]=4 20838 B15R1.35 C=CCCCCCOCC1CCCOC1 34a_100011216702_100000741521 [0,1,0,1,0,0|2,0,0]=4 20839 B15R1.35 C=CCCCCCOCC1CCCOC1 7a_100011216702_100000741521 [0,1,0,1,0,0|2,0,0]=4 20840 B15R1.35 C=CCCCCCOCC1CCNCC1 34a_100000738675_100000700193 [0,1,0,1,0,0|2,0,0]=4 20841 B15R1.35 C=CCCCCCOCC1CCOCC1 34a_100000749013_100000700193 [0,1,0,1,0,0|2,0,0]=4 20842 B15R1.35 C=CCCCCCOCC1CCOCC1 34a_100011216702_100000754603 [0,1,0,1,0,0|2,0,0]=4 20843 B15R1.35 C=CCCCCCOCC1CCOCC1 7a_100011216702_100000754603 [0,1,0,1,0,0|2,0,0]=4 20844 B15R1.35 C=CCCCCCOCC1CCSCC1 34a_100000070558_100000700193 [0,1,0,1,0,0|2,0,0]=4 20845 B15R1.35 C=CCCCCCOCC1CCSCC1 7a_100000070558_100000700193 [0,1,0,1,0,0|2,0,0]=4 20846 B15R1.35 C=CCCCCCSCC1CCCCC1 62a_100000211423_100000700193 [0,1,0,1,0,0|1,0,0]=3 20847 B15R1.35 C=CCCCCCSCC1CCCCC1 62a_100000700193_100000211423 [0,1,0,1,0,0|1,0,0]=3 20848 B15R1.35 C=CCCCCCSCC1CCCCO1 62a_100000211543_100000700193 [0,1,0,1,0,0|2,0,0]=4 20849 B15R1.35 C=CCCCCCSCC1CCCCO1 62a_100000700193_100000211543 [0,1,0,1,0,0|2,0,0]=4 20850 B15R1.35 C=CCCCCCSCC1CCCOC1 62a_100000700193_100000741521 [0,1,0,1,0,0|2,0,0]=4 20851 B15R1.35 C=CCCCCCSCC1CCCOC1 62a_100000741521_100000700193 [0,1,0,1,0,0|2,0,0]=4 20852 B15R1.35 C=CCCCCCSCC1CCOCC1 62a_100000700193_100000749018 [0,1,0,1,0,0|2,0,0]=4 20853 B15R1.35 C=CCCCCCSCC1CCOCC1 62a_100000754603_100000700193 [0,1,0,1,0,0|2,0,0]=4 20854 B15R1.35 C=CCCCCNCCC1CCCCC1 2230a_100000703577_100012355289 [0,1,0,1,0,0|1,0,0]=3 20855 B15R1.35 C=CCCCCNCCC1CCCCC1 2230a_100000738074_100011215482 [0,1,0,1,0,0|1,0,0]=3 20856 B15R1.35 C=CCCCCNCCC1CCCCC1 270004a_100000703577_100011713444 [0,1,0,1,0,0|1,0,0]=3 20857 B15R1.35 C=CCCCCNCCC1CCCCC1 34a_100000703577_100011209188 [0,1,0,1,0,0|1,0,0]=3 20858 B15R1.35 C=CCCCCNCCC1CCCCC1 34a_100000738074_100011215482 [0,1,0,1,0,0|1,0,0]=3 20859 B15R1.35 C=CCCCCNCCC1CCCCO1 2230a_100015183643_100011215482 [0,1,0,1,0,0|2,0,0]=4 20860 B15R1.35 C=CCCCCNCCC1CCCCO1 34a_100015183643_100011215482 [0,1,0,1,0,0|2,0,0]=4 20861 B15R1.35 C=CCCCCNCCC1CCOCC1 2230a_100000703577_100011934994 [0,1,0,1,0,0|2,0,0]=4 20862 B15R1.35 C=CCCCCNCCC1CCOCC1 2230a_100000755988_100011215482 [0,1,0,1,0,0|2,0,0]=4 20863 B15R1.35 C=CCCCCNCCC1CCOCC1 34a_100000703577_100011934994 [0,1,0,1,0,0|2,0,0]=4 20864 B15R1.35 C=CCCCCNCCC1CCOCC1 34a_100000755988_100011215482 [0,1,0,1,0,0|2,0,0]=4 20865 B15R1.35 C=CCCCCNCCN1CCCCC1 2230a_100000703577_100000739454 [0,1,0,1,0,0|2,0,0]=4 20866 B15R1.35 C=CCCCCNCCN1CCCCC1 34a_100000703577_100000739454 [0,1,0,1,0,0|2,0,0]=4 20867 B15R1.35 C=CCCCCNCOC1CCCCC1 2230a_100000703577_100011935260 [0,1,0,1,0,0|2,0,0]=4 20868 B15R1.35 C=CCCCCNCOC1CCCCC1 34a_100000703577_100011935260 [0,1,0,1,0,0|2,0,0]=4 20869 B15R1.35 C=CCCCCOCCC1CCCCC1 34a_100000766645_100011209188 [0,1,0,1,0,0|1,0,0]=3 20870 B15R1.35 C=CCCCCOCCC1CCCCC1 34a_100011217863_100011215482 [0,1,0,1,0,0|1,0,0]=3 20871 B15R1.35 C=CCCCCOCCC1CCCCC1 7a_100000766645_100011273959 [0,1,0,1,0,0|1,0,0]=3 20872 B15R1.35 C=CCCCCOCCC1CCCCC1 7a_100011217863_100011215482 [0,1,0,1,0,0|1,0,0]=3 20873 B15R1.35 C=CCCCCOCCC1CCCCN1 34a_100000211664_100011215482 [0,1,0,1,0,0|2,0,0]=4 20874 B15R1.35 C=CCCCCOCCC1CCCNC1 34a_100000752241_100011215482 [0,1,0,1,0,0|2,0,0]=4 20875 B15R1.35 C=CCCCCOCCC1CCNCC1 34a_100015190746_100011215482 [0,1,0,1,0,0|2,0,0]=4 20876 B15R1.35 C=CCCCCOCCC1CCOCC1 34a_100000766645_100011934994 [0,1,0,1,0,0|2,0,0]=4 20877 B15R1.35 C=CCCCCOCCC1CCOCC1 34a_100011933979_100011215482 [0,1,0,1,0,0|2,0,0]=4 20878 B15R1.35 C=CCCCCOCCC1CCOCC1 7a_100000766645_100011934994 [0,1,0,1,0,0|2,0,0]=4 20879 B15R1.35 C=CCCCCOCCC1CCOCC1 7a_100011933979_100011215482 [0,1,0,1,0,0|2,0,0]=4 20880 B15R1.35 C=CCCCCOCCN1CCCCC1 34a_100000766645_100000739454 [0,1,0,1,0,0|2,0,0]=4 20881 B15R1.35 C=CCCCCOCCN1CCCCC1 7a_100000766645_100000739454 [0,1,0,1,0,0|2,0,0]=4 20882 B15R1.35 C=CCCCCOCOC1CCCCC1 34a_100000766645_100011935260 [0,1,0,1,0,0|2,0,0]=4 20883 B15R1.35 C=CCCCCOCOC1CCCCC1 7a_100000766645_100011935260 [0,1,0,1,0,0|2,0,0]=4 20884 B15R1.35 C=CCCCCSCCC1CCCCC1 62a_100011215482_100012355289 [0,1,0,1,0,0|1,0,0]=3 20885 B15R1.35 C=CCCCCSCCC1CCCCC1 62a_100012355289_100011215482 [0,1,0,1,0,0|1,0,0]=3 20886 B15R1.35 C=CCCCCSCCC1CCOCC1 62a_100011215482_100011934994 [0,1,0,1,0,0|2,0,0]=4 20887 B15R1.35 C=CCCCCSCCC1CCOCC1 62a_100011934994_100011215482 [0,1,0,1,0,0|2,0,0]=4 20888 B15R1.35 C=CCCCCSCCN1CCCCC1 62a_100000739454_100011215482 [0,1,0,1,0,0|2,0,0]=4 20889 B15R1.35 C=CCCCCSCCN1CCCCC1 62a_100011215482_100000739454 [0,1,0,1,0,0|2,0,0]=4 20890 B15R1.35 C=CCCCCSCOC1CCCCC1 62a_100011215482_100011935260 [0,1,0,1,0,0|2,0,0]=4 20891 B15R1.35 C=CCCCCSCOC1CCCCC1 62a_100011935260_100011215482 [0,1,0,1,0,0|2,0,0]=4 20892 B15R1.35 C=CCCCNCCCC1CCCCC1 2230a_100000700776_100011713725 [0,1,0,1,0,0|1,0,0]=3 20893 B15R1.35 C=CCCCNCCCC1CCCCC1 2230a_100011211642_100011713584 [0,1,0,1,0,0|1,0,0]=3 20894 B15R1.35 C=CCCCNCCCC1CCCCC1 34a_100000700776_100011713725 [0,1,0,1,0,0|1,0,0]=3 20895 B15R1.35 C=CCCCNCCCC1CCCCC1 34a_100011211642_100000757094 [0,1,0,1,0,0|1,0,0]=3 20896 B15R1.35 C=CCCCNCCCN1CCCCC1 2230a_100000700776_100000690320 [0,1,0,1,0,0|2,0,0]=4 20897 B15R1.35 C=CCCCNCCCN1CCCCC1 34a_100000700776_100000690320 [0,1,0,1,0,0|2,0,0]=4 20898 B15R1.35 C=CCCCNCCOC1CCCCC1 2230a_100000700776_100011211530 [0,1,0,1,0,0|2,0,0]=4 20899 B15R1.35 C=CCCCNCCOC1CCCCC1 34a_100000700776_100011211530 [0,1,0,1,0,0|2,0,0]=4 20900 B15R1.35 C=CCCCNCCOC1CCCCC1 34a_100015206981_100000757094 [0,1,0,1,0,0|2,0,0]=4 20901 B15R1.35 C=CCCCOCCCC1CCCCC1 34a_100000198086_100000757094 [0,1,0,1,0,0|1,0,0]=3 20902 B15R1.35 C=CCCCOCCCC1CCCCC1 34a_100000758997_100011713725 [0,1,0,1,0,0|1,0,0]=3 20903 B15R1.35 C=CCCCOCCCC1CCCCC1 7a_100000198086_100000757094 [0,1,0,1,0,0|1,0,0]=3 20904 B15R1.35 C=CCCCOCCCC1CCCCC1 7a_100000758997_100011713725 [0,1,0,1,0,0|1,0,0]=3 20905 B15R1.35 C=CCCCOCCCC1CCCCN1 34a_100011934581_100000757094 [0,1,0,1,0,0|2,0,0]=4 20906 B15R1.35 C=CCCCOCCCC1CCCNC1 34a_100150707839_100000757094 [0,1,0,1,0,0|2,0,0]=4 20907 B15R1.35 C=CCCCOCCCC1CCNCC1 34a_100016988962_100000757094 [0,1,0,1,0,0|2,0,0]=4 20908 B15R1.35 C=CCCCOCCCN1CCCCC1 34a_100000212458_100000757094 [0,1,0,1,0,0|2,0,0]=4 20909 B15R1.35 C=CCCCOCCCN1CCCCC1 34a_100000758997_100000690320 [0,1,0,1,0,0|2,0,0]=4 20910 B15R1.35 C=CCCCOCCCN1CCCCC1 7a_100000758997_100000007876 [0,1,0,1,0,0|2,0,0]=4 20911 B15R1.35 C=CCCCOCCNC1CCCCC1 34a_100000200466_100000757094 [0,1,0,1,0,0|2,0,0]=4 20912 B15R1.35 C=CCCCOCCOC1CCCCC1 34a_100000758997_100011211530 [0,1,0,1,0,0|2,0,0]=4 20913 B15R1.35 C=CCCCOCCOC1CCCCC1 34a_100011249652_100000757094 [0,1,0,1,0,0|2,0,0]=4 20914 B15R1.35 C=CCCCOCCOC1CCCCC1 7a_100000758997_100011211530 [0,1,0,1,0,0|2,0,0]=4 20915 B15R1.35 C=CCCCOCCOC1CCCCC1 7a_100011249652_100000757094 [0,1,0,1,0,0|2,0,0]=4 20916 B15R1.35 C=CCCCSCCCC1CCCCC1 62a_100011713584_100011713725 [0,1,0,1,0,0|1,0,0]=3 20917 B15R1.35 C=CCCCSCCCC1CCCCC1 62a_100011713725_100000757094 [0,1,0,1,0,0|1,0,0]=3 20918 B15R1.35 C=CCCCSCCCN1CCCCC1 62a_100011713584_100000007876 [0,1,0,1,0,0|2,0,0]=4 20919 B15R1.35 C=CCCCSCCCN1CCCCC1 62a_100132302099_100000757094 [0,1,0,1,0,0|2,0,0]=4 20920 B15R1.35 C=CCCCSCCOC1CCCCC1 62a_100011211530_100000757094 [0,1,0,1,0,0|2,0,0]=4 20921 B15R1.35 C=CCCCSCCOC1CCCCC1 62a_100011713584_100011211530 [0,1,0,1,0,0|2,0,0]=4 20922 B15R1.35 C=CCCNCCCOC1CCCCC1 34a_100000205933_100000754431 [0,1,0,1,0,0|2,0,0]=4 20923 B15R1.35 C=CCCOCCCCC1CCCCC1 34a_100011215267_100000754431 [0,1,0,1,0,0|1,0,0]=3 20924 B15R1.35 C=CCCOCCCCC1CCCCC1 7a_100011215267_100000754431 [0,1,0,1,0,0|1,0,0]=3 20925 B15R1.35 C=CCCOCCCCC1CCNCC1 34a_100016989291_100000754431 [0,1,0,1,0,0|2,0,0]=4 20926 B15R1.35 C=CCOCCCCCN1CCCCC1 34a_100011216611_100015514636 [0,1,0,1,0,0|2,0,0]=4 20927 B15R1.35 C=CCOCCCCCN1CCCCC1 7a_100011216611_100015514636 [0,1,0,1,0,0|2,0,0]=4 20928 B15R1.35 C=CCOCCOCCC1CCCCC1 34a_100000037705_100011209188 [0,1,0,1,0,0|2,0,0]=4 20929 B15R1.35 C=CCOCCOCCC1CCCCC1 7a_100000037705_100011273959 [0,1,0,1,0,0|2,0,0]=4 20930 B15R1.35 C=COCCCCOCC1CCCCC1 34a_100000031558_100000211423 [0,1,0,1,0,0|2,0,0]=4 20931 B15R1.35 C=COCCCCOCC1CCCCC1 7a_100000031558_100000211423 [0,1,0,1,0,0|2,0,0]=4 20932 B15R1.35 C=COCCCNCCC1CCCCC1 2230a_100000210767_100012355289 [0,1,0,1,0,0|2,0,0]=4 20933 B15R1.35 C=COCCCNCCC1CCCCC1 270004a_100000210767_100011713444 [0,1,0,1,0,0|2,0,0]=4 20934 B15R1.35 C=COCCCNCCC1CCCCC1 34a_100000210767_100011209188 [0,1,0,1,0,0|2,0,0]=4 20935 B15R1.35 C=COCCNCCCC1CCCCC1 2230a_100011211642_100000039644 [0,1,0,1,0,0|2,0,0]=4 20936 B15R1.35 C=COCCNCCCC1CCCCC1 34a_100011211642_100000039644 [0,1,0,1,0,0|2,0,0]=4 20937 B15R1.35 C=COCCOCCCC1CCCCC1 34a_100000033082_100011713725 [0,1,0,1,0,0|2,0,0]=4 20938 B15R1.35 C=COCCOCCCC1CCCCC1 34a_100000198086_100000039644 [0,1,0,1,0,0|2,0,0]=4 20939 B15R1.35 C=COCCOCCCC1CCCCC1 7a_100000198086_100000039644 [0,1,0,1,0,0|2,0,0]=4 20940 B15R1.35 C=COCCSCCCC1CCCCC1 62a_100000039644_100011713725 [0,1,0,1,0,0|2,0,0]=4 20941 B15R1.35 C=COCCSCCCC1CCCCC1 62a_100011713725_100000039644 [0,1,0,1,0,0|2,0,0]=4 20942 B15R1.35 CC=CCCCOCCC1CCCCC1 34a_100020645299_100011209188 [0,1,0,1,0,0|1,0,1]=4 20943 B15R1.35 CC=CCOCCCCC1CCCCC1 34a_100011215267_100000070051 [0,1,0,1,0,0|1,0,1]=4 20944 B15R1.35 CC=CCOCCCCC1CCCCC1 7a_100011215267_100000070051 [0,1,0,1,0,0|1,0,1]=4 20945 B15R1.35 CCCCCCCCCN1CC=CCC1 2230a_100000698166_100011214924 [0,1,0,1,0,0|1,0,1]=4 20946 B15R1.35 CCCCCCCCCN1CC=CCC1 269982a_100000698166_100000210670 [0,1,0,1,0,0|1,0,1]=4 20947 B15R1.35 CCCCCCCCCN1CC=CCC1 34a_100000698166_100011214924 [0,1,0,1,0,0|1,0,1]=4 20948 B15R1.35 CCCCCCCCCN1CCCOC1 2230a_100000131196_100011214924 [0,1,0,1,0,0|2,0,0]=4 20949 B15R1.35 CCCCCCCCCN1CCCOC1 269982a_100000131196_100000210670 [0,1,0,1,0,0|2,0,0]=4 20950 B15R1.35 CCCCCCCCCN1CCCOC1 34a_100000131196_100011214924 [0,1,0,1,0,0|2,0,0]=4 20951 B15R1.35 CCCCCCCCNC1C=CCCC1 2230a_100000229939_100000751183 [0,1,0,1,0,0|1,0,0]=3 20952 B15R1.35 CCCCCCCCNC1CCCCC1 2230a_100000182618_100000210759 [0,1,0,1,0,0|1,0,1]=4 20953 B15R1.35 CCCCCCCCNC1CCCCC1 270004a_100000229939_100000210434 [0,1,0,1,0,0|1,0,1]=4 20954 B15R1.35 CCCCCCCCNC1CCCCC1 34a_100000182618_100000210759 [0,1,0,1,0,0|1,0,1]=4 20955 B15R1.35 CCCCCCCCNC1CCCCC1 34a_100000229939_100000210327 [0,1,0,1,0,0|1,0,1]=4 20956 B15R1.35 CCCCCCCCNC1CCCOC1 2230a_100000719290_100000210759 [0,1,0,1,0,0|2,0,0]=4 20957 B15R1.35 CCCCCCCCNC1CCCOC1 270004a_100000229939_100000753404 [0,1,0,1,0,0|2,0,0]=4 20958 B15R1.35 CCCCCCCCNC1CCCOC1 34a_100000229939_100000693364 [0,1,0,1,0,0|2,0,0]=4 20959 B15R1.35 CCCCCCCCNC1CCCOC1 34a_100000719290_100000210759 [0,1,0,1,0,0|2,0,0]=4 20960 B15R1.35 CCCCCCCCNC1CCCSC1 270004a_100000229939_100000057913 [0,1,0,1,0,0|2,0,0]=4 20961 B15R1.35 CCCCCCCCOC1C=CCCC1 34a_100011215024_100000210759 [0,1,0,1,0,0|1,0,0]=3 20962 B15R1.35 CCCCCCCCOC1C=CCCC1 7a_100000210232_100000751183 [0,1,0,1,0,0|1,0,0]=3 20963 B15R1.35 CCCCCCCCOC1CC=CCC1 34a_100000073881_100000210759 [0,1,0,1,0,0|1,0,1]=4 20964 B15R1.35 CCCCCCCCOC1CCCCC1 34a_100000210231_100000210759 [0,1,0,1,0,0|1,0,1]=4 20965 B15R1.35 CCCCCCCCOC1CCCCC1 34a_100000210232_100000210327 [0,1,0,1,0,0|1,0,1]=4 20966 B15R1.35 CCCCCCCCOC1CCCCC1 7a_100000210231_100000210759 [0,1,0,1,0,0|1,0,1]=4 20967 B15R1.35 CCCCCCCCOC1CCCCC1 7a_100000210232_100000210327 [0,1,0,1,0,0|1,0,1]=4 20968 B15R1.35 CCCCCCCCOC1CCCCO1 34a_100000033831_100000210759 [0,1,0,1,0,0|0,0,2]=4 20969 B15R1.35 CCCCCCCCOC1CCCOC1 34a_100000210232_100000693364 [0,1,0,1,0,0|2,0,0]=4 20970 B15R1.35 CCCCCCCCOC1CCCOC1 34a_100000754041_100000210759 [0,1,0,1,0,0|2,0,0]=4 20971 B15R1.35 CCCCCCCCOC1CCCOC1 7a_100000210232_100000693364 [0,1,0,1,0,0|2,0,0]=4 20972 B15R1.35 CCCCCCCCOC1CCCSC1 7a_100015962668_100000210759 [0,1,0,1,0,0|2,0,0]=4 20973 B15R1.35 CCCCCCCCSC1C=CCCC1 62a_100000210759_100000751183 [0,1,0,1,0,0|1,0,0]=3 20974 B15R1.35 CCCCCCCCSC1C=CCCC1 62a_100000751183_100000210317 [0,1,0,1,0,0|1,0,0]=3 20975 B15R1.35 CCCCCCCCSC1CCCCC1 62a_100000210327_100000210317 [0,1,0,1,0,0|1,0,1]=4 20976 B15R1.35 CCCCCCCCSC1CCCCC1 62a_100000210759_100000210327 [0,1,0,1,0,0|1,0,1]=4 20977 B15R1.35 CCCCCCCCSC1CCCOC1 62a_100000210759_100000693364 [0,1,0,1,0,0|2,0,0]=4 20978 B15R1.35 CCCCCCCNCC1CC=CCC1 270004a_100000229938_100000189434 [0,1,0,1,0,0|1,0,1]=4 20979 B15R1.35 CCCCCCCNCC1CCCCC1 2230a_100000210473_100000210681 [0,1,0,1,0,0|1,0,1]=4 20980 B15R1.35 CCCCCCCNCC1CCCCC1 2230a_100000229938_100000211423 [0,1,0,1,0,0|1,0,1]=4 20981 B15R1.35 CCCCCCCNCC1CCCCC1 269862a_100000229938_100000211278 [0,1,0,1,0,0|1,0,1]=4 20982 B15R1.35 CCCCCCCNCC1CCCCC1 34a_100000210473_100000210614 [0,1,0,1,0,0|1,0,1]=4 20983 B15R1.35 CCCCCCCNCC1CCCCO1 2230a_100000174945_100000210681 [0,1,0,1,0,0|0,0,2]=4 20984 B15R1.35 CCCCCCCNCC1CCCCO1 2230a_100000229938_100000211543 [0,1,0,1,0,0|0,0,2]=4 20985 B15R1.35 CCCCCCCNCC1CCCCO1 34a_100000174945_100000210614 [0,1,0,1,0,0|0,0,2]=4 20986 B15R1.35 CCCCCCCNCC1CCCOC1 2230a_100000229938_100000741521 [0,1,0,1,0,0|2,0,0]=4 20987 B15R1.35 CCCCCCCNCC1CCCOC1 2230a_100000720124_100000210681 [0,1,0,1,0,0|2,0,0]=4 20988 B15R1.35 CCCCCCCNCC1CCCOC1 34a_100000720124_100000210614 [0,1,0,1,0,0|2,0,0]=4 20989 B15R1.35 CCCCCCCOCC1CC=CCC1 34a_100000210713_100000210614 [0,1,0,1,0,0|1,0,1]=4 20990 B15R1.35 CCCCCCCOCC1CCC=CO1 34a_100011217868_100000210614 [0,1,0,1,0,0|0,0,2]=4 20991 B15R1.35 CCCCCCCOCC1CCCCC1 34a_100000210272_100000211423 [0,1,0,1,0,0|1,0,1]=4 20992 B15R1.35 CCCCCCCOCC1CCCCC1 34a_100000212181_100000210614 [0,1,0,1,0,0|1,0,1]=4 20993 B15R1.35 CCCCCCCOCC1CCCCC1 7a_100000210272_100000211423 [0,1,0,1,0,0|1,0,1]=4 20994 B15R1.35 CCCCCCCOCC1CCCCC1 7a_100000212181_100000210614 [0,1,0,1,0,0|1,0,1]=4 20995 B15R1.35 CCCCCCCOCC1CCCCN1 34a_100000210821_100000210614 [0,1,0,1,0,0|1,0,1]=4 20996 B15R1.35 CCCCCCCOCC1CCCCO1 34a_100000210272_100000211543 [0,1,0,1,0,0|0,0,2]=4 20997 B15R1.35 CCCCCCCOCC1CCCCO1 34a_100000211370_100000210614 [0,1,0,1,0,0|0,0,2]=4 20998 B15R1.35 CCCCCCCOCC1CCCCO1 7a_100000210272_100000211543 [0,1,0,1,0,0|0,0,2]=4 20999 B15R1.35 CCCCCCCOCC1CCCCO1 7a_100000211370_100000210614 [0,1,0,1,0,0|0,0,2]=4 21000 B15R1.35 CCCCCCCOCC1CCCNC1 34a_100000211344_100000210614 [0,1,0,1,0,0|2,0,0]=4 21001 B15R1.35 CCCCCCCOCC1CCCOC1 34a_100000210272_100000741521 [0,1,0,1,0,0|2,0,0]=4 21002 B15R1.35 CCCCCCCOCC1CCCOC1 34a_100000741520_100000210614 [0,1,0,1,0,0|2,0,0]=4 21003 B15R1.35 CCCCCCCOCC1CCCOC1 7a_100000210272_100000741521 [0,1,0,1,0,0|2,0,0]=4 21004 B15R1.35 CCCCCCCSCC1CCCCC1 62a_100000210614_100000211423 [0,1,0,1,0,0|1,0,1]=4 21005 B15R1.35 CCCCCCCSCC1CCCCC1 62a_100000211423_100000210316 [0,1,0,1,0,0|1,0,1]=4 21006 B15R1.35 CCCCCCCSCC1CCCCO1 62a_100000210614_100000211543 [0,1,0,1,0,0|0,0,2]=4 21007 B15R1.35 CCCCCCCSCC1CCCCO1 62a_100000211543_100000210316 [0,1,0,1,0,0|0,0,2]=4 21008 B15R1.35 CCCCCCCSCC1CCCOC1 62a_100000210614_100000741521 [0,1,0,1,0,0|2,0,0]=4 21009 B15R1.35 CCCCCCCSCC1CCCOC1 62a_100000741521_100000210316 [0,1,0,1,0,0|2,0,0]=4 21010 B15R1.35 CCCCCCNCCC1CCCCC1 2230a_100000210581_100012355289 [0,1,0,1,0,0|1,0,1]=4 21011 B15R1.35 CCCCCCNCCC1CCCCC1 2230a_100000738074_100000210314 [0,1,0,1,0,0|1,0,1]=4 21012 B15R1.35 CCCCCCNCCC1CCCCC1 270004a_100000210581_100011713444 [0,1,0,1,0,0|1,0,1]=4 21013 B15R1.35 CCCCCCNCCC1CCCCC1 34a_100000738074_100000210314 [0,1,0,1,0,0|1,0,1]=4 21014 B15R1.35 CCCCCCNCCC1CCCCO1 2230a_100015183643_100000210314 [0,1,0,1,0,0|0,0,2]=4 21015 B15R1.35 CCCCCCNCCC1CCCCO1 34a_100015183643_100000210314 [0,1,0,1,0,0|0,0,2]=4 21016 B15R1.35 CCCCCCOCCC1CCCCC1 34a_100000210259_100011209188 [0,1,0,1,0,0|1,0,1]=4 21017 B15R1.35 CCCCCCOCCC1CCCCC1 34a_100011217863_100000210314 [0,1,0,1,0,0|1,0,1]=4 21018 B15R1.35 CCCCCCOCCC1CCCCC1 7a_100000210259_100011273959 [0,1,0,1,0,0|1,0,1]=4 21019 B15R1.35 CCCCCCOCCC1CCCCC1 7a_100011217863_100000210314 [0,1,0,1,0,0|1,0,1]=4 21020 B15R1.35 CCCCCCOCCC1CCCCN1 34a_100000211664_100000210314 [0,1,0,1,0,0|1,0,1]=4 21021 B15R1.35 CCCCCCOCCC1CCCNC1 34a_100000752241_100000210314 [0,1,0,1,0,0|2,0,0]=4 21022 B15R1.35 CCCCCCSCCC1CCCCC1 62a_100000210314_100012355289 [0,1,0,1,0,0|1,0,1]=4 21023 B15R1.35 CCCCCCSCCC1CCCCC1 62a_100012355289_100000210757 [0,1,0,1,0,0|1,0,1]=4 21024 B15R1.35 CCCCCNCCCC1CCCCC1 2230a_100000209983_100011713725 [0,1,0,1,0,0|1,0,1]=4 21025 B15R1.35 CCCCCNCCCC1CCCCC1 2230a_100011211642_100000210326 [0,1,0,1,0,0|1,0,1]=4 21026 B15R1.35 CCCCCNCCCC1CCCCC1 34a_100011211642_100000718602 [0,1,0,1,0,0|1,0,1]=4 21027 B15R1.35 CCCCCOCCCC1CCCCC1 34a_100000198086_100000718602 [0,1,0,1,0,0|1,0,1]=4 21028 B15R1.35 CCCCCOCCCC1CCCCC1 34a_100000210253_100011713725 [0,1,0,1,0,0|1,0,1]=4 21029 B15R1.35 CCCCCOCCCC1CCCCC1 7a_100000198086_100000210326 [0,1,0,1,0,0|1,0,1]=4 21030 B15R1.35 CCCCCOCCCC1CCCCC1 7a_100000210253_100011713725 [0,1,0,1,0,0|1,0,1]=4 21031 B15R1.35 CCCCCOCCCC1CCCCN1 34a_100011934581_100000718602 [0,1,0,1,0,0|1,0,1]=4 21032 B15R1.35 CCCCCOCCCC1CCCNC1 34a_100150707839_100000718602 [0,1,0,1,0,0|2,0,0]=4 21033 B15R1.35 CCCCCOCCOC1C=CCCC1 7a_100011215259_100000751183 [0,1,0,1,0,0|2,0,0]=4 21034 B15R1.35 CCCCCSCCCC1CCCCC1 62a_100000210326_100011713725 [0,1,0,1,0,0|1,0,1]=4 21035 B15R1.35 CCCCCSCCCC1CCCCC1 62a_100011713725_100000210326 [0,1,0,1,0,0|1,0,1]=4 21036 B15R1.35 CCCCOCCCCC1CCCCC1 34a_100011215267_100000210210 [0,1,0,1,0,0|1,0,1]=4 21037 B15R1.35 CCCCOCCCCC1CCCCC1 7a_100011215267_100000210211 [0,1,0,1,0,0|1,0,1]=4 21038 B15R1.35 CCCCOCCCNC1C=CCCC1 2230a_200000211371_100000751183 [0,1,0,1,0,0|2,0,0]=4 21039 B15R1.35 CCCCOCCCOC1C=CCCC1 7a_200011215613_100000751183 [0,1,0,1,0,0|2,0,0]=4 21040 B15R1.35 CNCCCCCOCC1CCCCC1 34a_100000722520_100000211423 [0,1,0,1,0,0|2,0,0]=4 21041 B15R1.35 CNCCCOCCCC1CCCCC1 34a_100000213112_100011713725 [0,1,0,1,0,0|2,0,0]=4 21042 B15R1.35 COCCCCCCNC1CCCCC1 2230a_100000182618_100011998445 [0,1,0,1,0,0|2,0,0]=4 21043 B15R1.35 COCCCCCCNC1CCCCC1 34a_100000182618_100011998445 [0,1,0,1,0,0|2,0,0]=4 21044 B15R1.35 COCCCCCCOC1C=CCCC1 34a_100011215024_100011998445 [0,1,0,1,0,0|2,0,0]=4 21045 B15R1.35 COCCCCCCOC1C=CCCC1 7a_200012092642_100000751183 [0,1,0,1,0,0|2,0,0]=4 21046 B15R1.35 COCCCCCCOC1CCCCC1 34a_100000210231_100011998445 [0,1,0,1,0,0|2,0,0]=4 21047 B15R1.35 COCCCCCCOC1CCCCC1 34a_200012092642_100000210327 [0,1,0,1,0,0|2,0,0]=4 21048 B15R1.35 COCCCCCCOC1CCCCC1 7a_100000210231_100011998445 [0,1,0,1,0,0|2,0,0]=4 21049 B15R1.35 COCCCCCCOC1CCCCC1 7a_200012092642_100000210327 [0,1,0,1,0,0|2,0,0]=4 21050 B15R1.35 COCCCCCCSC1C=CCCC1 62a_100000751183_100011998445 [0,1,0,1,0,0|2,0,0]=4 21051 B15R1.35 COCCCCCCSC1C=CCCC1 62a_100011998445_100000751183 [0,1,0,1,0,0|2,0,0]=4 21052 B15R1.35 COCCCCCCSC1CCCCC1 62a_100000210327_100011998445 [0,1,0,1,0,0|2,0,0]=4 21053 B15R1.35 COCCCCCCSC1CCCCC1 62a_100011998445_100000210327 [0,1,0,1,0,0|2,0,0]=4 21054 B15R1.35 COCCCCCNCC1CCCCC1 2230a_100000747528_100000211423 [0,1,0,1,0,0|2,0,0]=4 21055 B15R1.35 COCCCCCNCC1CCCCC1 269862a_100000747528_100000211278 [0,1,0,1,0,0|2,0,0]=4 21056 B15R1.35 COCCCCCNCC1CCCCC1 34a_100000747528_100000211423 [0,1,0,1,0,0|2,0,0]=4 21057 B15R1.35 COCCCCNCCC1CCCCC1 2230a_100000738074_100000730899 [0,1,0,1,0,0|2,0,0]=4 21058 B15R1.35 COCCCCNCCC1CCCCC1 34a_100000738074_100000755781 [0,1,0,1,0,0|2,0,0]=4 21059 B15R1.35 COCCCCOCCC1CCCCC1 34a_100000740925_100011209188 [0,1,0,1,0,0|2,0,0]=4 21060 B15R1.35 COCCCCOCCC1CCCCC1 34a_100011217863_100000755781 [0,1,0,1,0,0|2,0,0]=4 21061 B15R1.35 COCCCCOCCC1CCCCC1 7a_100011217863_100000730899 [0,1,0,1,0,0|2,0,0]=4 21062 B15R1.35 COCCCCSCCC1CCCCC1 62a_100000730899_100012355289 [0,1,0,1,0,0|2,0,0]=4 21063 B15R1.35 COCCCCSCCC1CCCCC1 62a_100012355289_100000730899 [0,1,0,1,0,0|2,0,0]=4 21064 B15R1.35 COCCCNCCCC1CCCCC1 2230a_100011211642_100000740836 [0,1,0,1,0,0|2,0,0]=4 21065 B15R1.35 COCCCNCCCC1CCCCC1 34a_100011211642_100000740836 [0,1,0,1,0,0|2,0,0]=4 21066 B15R1.35 COCCCNCCCC1CCCCC1 34a_100150723488_100011713725 [0,1,0,1,0,0|2,0,0]=4 21067 B15R1.35 COCCCOCCCC1CCCCC1 34a_100000198086_100000740836 [0,1,0,1,0,0|2,0,0]=4 21068 B15R1.35 COCCCOCCCC1CCCCC1 34a_100000740835_100011713725 [0,1,0,1,0,0|2,0,0]=4 21069 B15R1.35 COCCCOCCCC1CCCCC1 7a_100000198086_100000740836 [0,1,0,1,0,0|2,0,0]=4 21070 B15R1.35 COCCCSCCCC1CCCCC1 62a_100000709357_100011713725 [0,1,0,1,0,0|2,0,0]=4 21071 B15R1.35 COCCCSCCCC1CCCCC1 62a_100011713725_100000709357 [0,1,0,1,0,0|2,0,0]=4 21072 B15R1.35 COCCOCCCCC1CCCCC1 34a_100011215267_100011201679 [0,1,0,1,0,0|2,0,0]=4 21073 B15R1.35 COCCOCCCCC1CCCCC1 7a_100011215267_100000233755 [0,1,0,1,0,0|2,0,0]=4 21074 B15R1.35 CSCCCCOCCC1CCCCC1 34a_100011217163_100011209188 [0,1,0,1,0,0|2,0,0]=4 21075 B15R1.35 CSCCCCOCCC1CCCCC1 7a_100011217163_100011273959 [0,1,0,1,0,0|2,0,0]=4 21076 B15R1.35 CSCCCNCCCC1CCCCC1 2230a_100000749238_100011713725 [0,1,0,1,0,0|2,0,0]=4 21077 B15R1.35 CSCCCOCCCC1CCCCC1 34a_100000690336_100011713725 [0,1,0,1,0,0|2,0,0]=4 21078 B15R1.35 CSCCCOCCCC1CCCCC1 7a_100000690336_100011713725 [0,1,0,1,0,0|2,0,0]=4 21079 B15R1.35 CSCCOCCCCC1CCCCC1 34a_100011215267_100000212216 [0,1,0,1,0,0|2,0,0]=4 21080 B15R1.35 CSCCOCCCCC1CCCCC1 7a_100011215267_100000212216 [0,1,0,1,0,0|2,0,0]=4 21081 B15R1.35 ClCCCCCCOCC1CCCCC1 34a_100000766143_100000211423 [0,1,0,1,0,0|1,0,1]=4 21082 B15R1.35 ClCCCCCCOCC1CCCCC1 7a_100000766143_100000211423 [0,1,0,1,0,0|1,0,1]=4 21083 B15R1.35 ClCCCCCOCCC1CCCCC1 34a_100000746330_100011209188 [0,1,0,1,0,0|1,0,1]=4 21084 B15R1.35 ClCCCCCOCCC1CCCCC1 7a_100000746330_100011273959 [0,1,0,1,0,0|1,0,1]=4 21085 B15R1.35 ClCCCCOCCCC1CCCCC1 34a_100000210776_100011713725 [0,1,0,1,0,0|1,0,1]=4 21086 B15R1.35 ClCCCCOCCCC1CCCCC1 7a_100000210776_100011713725 [0,1,0,1,0,0|1,0,1]=4 21087 B15R1.35 FCCCCCCNCC1CCCCC1 2230a_100000210473_100015922095 [0,1,0,1,0,0|1,0,1]=4 21088 B15R1.35 FCCCCCCNCC1CCCCC1 34a_100000210473_100015922095 [0,1,0,1,0,0|1,0,1]=4 21089 B15R1.35 FCCCCCCOCC1CCCCC1 34a_100000212181_100015922095 [0,1,0,1,0,0|1,0,1]=4 21090 B15R1.35 FCCCCCCOCC1CCCCC1 34a_100000732779_100000211423 [0,1,0,1,0,0|1,0,1]=4 21091 B15R1.35 FCCCCCCOCC1CCCCC1 7a_100000212181_100015922095 [0,1,0,1,0,0|1,0,1]=4 21092 B15R1.35 FCCCCCCOCC1CCCCC1 7a_100000732779_100000211423 [0,1,0,1,0,0|1,0,1]=4 21093 B15R1.35 FCCCCCCSCC1CCCCC1 62a_100000211423_100015922095 [0,1,0,1,0,0|1,0,1]=4 21094 B15R1.35 FCCCCCCSCC1CCCCC1 62a_100015922095_100000211423 [0,1,0,1,0,0|1,0,1]=4 21095 B15R1.35 FCCCCCNCCC1CCCCC1 2230a_100000738074_100000729378 [0,1,0,1,0,0|1,0,1]=4 21096 B15R1.35 FCCCCCNCCC1CCCCC1 34a_100000738074_100000729378 [0,1,0,1,0,0|1,0,1]=4 21097 B15R1.35 FCCCCCOCCC1CCCCC1 34a_100011217863_100000729378 [0,1,0,1,0,0|1,0,1]=4 21098 B15R1.35 FCCCCCOCCC1CCCCC1 7a_100011217863_100000729378 [0,1,0,1,0,0|1,0,1]=4 21099 B15R1.35 FCCCCCSCCC1CCCCC1 62a_100000729378_100012355289 [0,1,0,1,0,0|1,0,1]=4 21100 B15R1.35 FCCCCCSCCC1CCCCC1 62a_100012355289_100000729378 [0,1,0,1,0,0|1,0,1]=4 21101 B15R1.35 FCCCCNCCCC1CCCCC1 2230a_100011211642_100000729493 [0,1,0,1,0,0|1,0,1]=4 21102 B15R1.35 FCCCCNCCCC1CCCCC1 34a_100011211642_100000729493 [0,1,0,1,0,0|1,0,1]=4 21103 B15R1.35 FCCCCOCCCC1CCCCC1 34a_100000198086_100000729493 [0,1,0,1,0,0|1,0,1]=4 21104 B15R1.35 FCCCCOCCCC1CCCCC1 34a_100011995726_100011713725 [0,1,0,1,0,0|1,0,1]=4 21105 B15R1.35 FCCCCOCCCC1CCCCC1 7a_100000198086_100000729493 [0,1,0,1,0,0|1,0,1]=4 21106 B15R1.35 FCCCCOCCCC1CCCCC1 7a_100011995726_100011713725 [0,1,0,1,0,0|1,0,1]=4 21107 B15R1.35 FCCCCSCCCC1CCCCC1 62a_100000729493_100011713725 [0,1,0,1,0,0|1,0,1]=4 21108 B15R1.35 FCCCCSCCCC1CCCCC1 62a_100011713725_100000729493 [0,1,0,1,0,0|1,0,1]=4 21109 B15R1.35 FCCCOCCCCC1CCCCC1 34a_100011215267_100011934791 [0,1,0,1,0,0|1,0,1]=4 21110 B15R1.35 FCCCOCCCCC1CCCCC1 7a_100011215267_100011934791 [0,1,0,1,0,0|1,0,1]=4 21111 B15R1.35 ICCCCCOCCC1CCCCC1 34a_200012148887_100011209188 [0,1,0,1,0,0|1,0,1]=4 21112 B15R1.35 ICCCCCOCCC1CCCCC1 7a_200012148887_100011273959 [0,1,0,1,0,0|1,0,1]=4 21113 B15R1.35 ICCCCOCCCC1CCCCC1 34a_200012148704_100011713725 [0,1,0,1,0,0|1,0,1]=4 21114 B15R1.35 N#CCCCCCCNC1CCCCC1 2230a_100000182618_100009813337 [0,1,0,1,0,0|1,0,1]=4 21115 B15R1.35 N#CCCCCCCOC1CCCCC1 7a_100000210231_100009813337 [0,1,0,1,0,0|1,0,1]=4 21116 B15R1.35 N#CCCCCCCSC1CCCCC1 62a_100000210327_100009813337 [0,1,0,1,0,0|1,0,1]=4 21117 B15R1.35 N#CCCCCCCSC1CCCCC1 62a_100009813337_100000210327 [0,1,0,1,0,0|1,0,1]=4 21118 B15R1.35 N#CCCCCCNCC1CCCCC1 2230a_100000210473_100009813376 [0,1,0,1,0,0|1,0,1]=4 21119 B15R1.35 N#CCCCCCOCC1CCCCC1 7a_100000212181_100009813376 [0,1,0,1,0,0|1,0,1]=4 21120 B15R1.35 N#CCCCCCSCC1CCCCC1 62a_100000211423_100009813376 [0,1,0,1,0,0|1,0,1]=4 21121 B15R1.35 N#CCCCCCSCC1CCCCC1 62a_100009813376_100000211423 [0,1,0,1,0,0|1,0,1]=4 21122 B15R1.35 N#CCCCCNCCC1CCCCC1 2230a_100000738074_100000211819 [0,1,0,1,0,0|1,0,1]=4 21123 B15R1.35 N#CCCCCNCCC1CCCCC1 270004a_100000751965_100011713444 [0,1,0,1,0,0|1,0,1]=4 21124 B15R1.35 N#CCCCCOCCC1CCCCC1 7a_100011217863_100000211819 [0,1,0,1,0,0|1,0,1]=4 21125 B15R1.35 N#CCCCCSCCC1CCCCC1 62a_100011219923_100012355289 [0,1,0,1,0,0|1,0,1]=4 21126 B15R1.35 N#CCCCCSCCC1CCCCC1 62a_100012355289_100000211819 [0,1,0,1,0,0|1,0,1]=4 21127 B15R1.35 N#CCCCNCCCC1CCCCC1 2230a_100011211642_100000687738 [0,1,0,1,0,0|1,0,1]=4 21128 B15R1.35 N#CCCCOCCCC1CCCCC1 7a_100000198086_100000687738 [0,1,0,1,0,0|1,0,1]=4 21129 B15R1.35 N#CCCCSCCCC1CCCCC1 62a_100000687738_100011713725 [0,1,0,1,0,0|1,0,1]=4 21130 B15R1.35 N#CCCCSCCCC1CCCCC1 62a_100011713725_100000687738 [0,1,0,1,0,0|1,0,1]=4 21131 B15R1.35 N#CCCOCCCCC1CCCCC1 7a_100011215267_100000184422 [0,1,0,1,0,0|1,0,1]=4 21132 B15R1.35 NCCCCCCCOC1CCCCC1 34a_100011996573_100000210327 [0,1,0,1,0,0|1,0,1]=4 21133 B15R1.35 NCCCCCCOCC1CCCCC1 34a_100000686447_100000211423 [0,1,0,1,0,0|1,0,1]=4 21134 B15R1.35 NCCCCCOCCC1CCCCC1 34a_100000762737_100011209188 [0,1,0,1,0,0|1,0,1]=4 21135 B15R1.35 NCCCCOCCCC1CCCCC1 34a_100000750430_100011713725 [0,1,0,1,0,0|1,0,1]=4 21136 B15R1.35 O=CCCCCCNCC1CCCCC1 2230a_100000210473_100000139337 [0,1,0,1,0,0|0,0,0]=2 21137 B15R1.35 O=CCCCCCNCC1CCCCO1 2230a_100000174945_100000139337 [0,1,0,1,0,0|1,0,0]=3 21138 B15R1.35 O=CCCCCCNCC1CCCOC1 2230a_100000720124_100000139337 [0,1,0,1,0,0|1,0,0]=3 21139 B15R1.35 O=CCCCCCNCC1CCOCC1 2230a_100000746373_100000139337 [0,1,0,1,0,0|1,0,0]=3 21140 B15R1.35 O=CCCCCCNCC1CCSCC1 2230a_100015188806_100000139337 [0,1,0,1,0,0|1,0,0]=3 21141 B15R1.35 O=CCCCCCNC[C@H]1COCCO1 2230a_100010981119_100000139337 [0,1,0,1,0,0|2,0,0]=4 21142 B15R1.35 O=CCCCCCOCC1CCCCC1 7a_100000212181_100000139337 [0,1,0,1,0,0|0,0,0]=2 21143 B15R1.35 O=CCCCCCOCC1CCCCO1 7a_100000211370_100000139337 [0,1,0,1,0,0|1,0,0]=3 21144 B15R1.35 O=CCCCCCOCC1CCSCC1 7a_100000070558_100000139337 [0,1,0,1,0,0|1,0,0]=3 21145 B15R1.35 O=CCCCCCSCC1CCCCC1 62a_100000139337_100000211423 [0,1,0,1,0,0|0,0,0]=2 21146 B15R1.35 O=CCCCCCSCC1CCCCC1 62a_100000211423_100000139337 [0,1,0,1,0,0|0,0,0]=2 21147 B15R1.35 O=CCCCCCSCC1CCCCO1 62a_100000139337_100000211543 [0,1,0,1,0,0|1,0,0]=3 21148 B15R1.35 O=CCCCCCSCC1CCCCO1 62a_100000211543_100000139337 [0,1,0,1,0,0|1,0,0]=3 21149 B15R1.35 O=CCCCCCSCC1CCCOC1 62a_100000139337_100000741521 [0,1,0,1,0,0|1,0,0]=3 21150 B15R1.35 O=CCCCCCSCC1CCCOC1 62a_100000741521_100000139337 [0,1,0,1,0,0|1,0,0]=3 21151 B15R1.35 O=CCCCCCSCC1CCOCC1 62a_100000139337_100000749018 [0,1,0,1,0,0|1,0,0]=3 21152 B15R1.35 O=CCCCCCSCC1CCOCC1 62a_100000754603_100000139337 [0,1,0,1,0,0|1,0,0]=3 21153 B15R1.35 O=CCCCCNCCC1=CCCCC1 2230a_100000212019_100000139335 [0,1,0,1,0,0|0,0,2]=4 21154 B15R1.35 O=CCCCCNCCC1CCCCC1 2230a_100000738074_100000139335 [0,1,0,1,0,0|0,0,0]=2 21155 B15R1.35 O=CCCCCNCCC1CCCCO1 2230a_100015183643_100000139335 [0,1,0,1,0,0|1,0,0]=3 21156 B15R1.35 O=CCCCCNCCC1CCOCC1 2230a_100000755988_100000139335 [0,1,0,1,0,0|1,0,0]=3 21157 B15R1.35 O=CCCCCNCCN1CCSCC1 2230a_100000755026_100000139335 [0,1,0,1,0,0|2,0,0]=4 21158 B15R1.35 O=CCCCCOCCC1CCCCC1 7a_100011217863_100000139335 [0,1,0,1,0,0|0,0,0]=2 21159 B15R1.35 O=CCCCCOCCC1CCOCC1 7a_100011933979_100000139335 [0,1,0,1,0,0|1,0,0]=3 21160 B15R1.35 O=CCCCCOCCC1SCCCS1 7a_200011025297_100000139335 [0,1,0,1,0,0|2,0,0]=4 21161 B15R1.35 O=CCCCCOCCN1CCSCC1 7a_100000686052_100000139335 [0,1,0,1,0,0|2,0,0]=4 21162 B15R1.35 O=CCCCCSCCC1CCCCC1 62a_100000139335_100012355289 [0,1,0,1,0,0|0,0,0]=2 21163 B15R1.35 O=CCCCCSCCC1CCCCC1 62a_100012355289_100000139335 [0,1,0,1,0,0|0,0,0]=2 21164 B15R1.35 O=CCCCCSCCC1CCOCC1 62a_100000139335_100011934994 [0,1,0,1,0,0|1,0,0]=3 21165 B15R1.35 O=CCCCCSCCC1CCOCC1 62a_100011934994_100000139335 [0,1,0,1,0,0|1,0,0]=3 21166 B15R1.35 O=CCCCCSCCC1OCCCO1 62a_100000139335_100000764188 [0,1,0,1,0,0|2,0,0]=4 21167 B15R1.35 O=CCCCCSCCC1OCCCO1 62a_100000764188_100000139335 [0,1,0,1,0,0|2,0,0]=4 21168 B15R1.35 O=CCCCCSCCN1CCCCC1 62a_100000139335_100000739454 [0,1,0,1,0,0|1,0,0]=3 21169 B15R1.35 O=CCCCCSCCN1CCCCC1 62a_100000739454_100000139335 [0,1,0,1,0,0|1,0,0]=3 21170 B15R1.35 O=CCCCCSCCN1CCOCC1 62a_100000139335_100000211760 [0,1,0,1,0,0|2,0,0]=4 21171 B15R1.35 O=CCCCCSCOC1CCCCC1 62a_100000139335_100011935260 [0,1,0,1,0,0|1,0,0]=3 21172 B15R1.35 O=CCCCCSCOC1CCCCC1 62a_100011935260_100000139335 [0,1,0,1,0,0|1,0,0]=3 21173 B15R1.35 O=CCCCNCCCC1CCCCC1 2230a_100011211642_200011292268 [0,1,0,1,0,0|0,0,0]=2 21174 B15R1.35 O=CCCCOCCCC1CCCCC1 7a_100000198086_200011292268 [0,1,0,1,0,0|0,0,0]=2 21175 B15R1.35 O=CCCCOCCOC1CCCCC1 7a_100011249652_200011292268 [0,1,0,1,0,0|1,0,0]=3 21176 B15R1.35 O=CCCCOCCOC1CCCCO1 7a_100000034223_200011292268 [0,1,0,1,0,0|2,0,0]=4 21177 B15R1.35 O=CCCCSCCCC1CCCCC1 62a_100011713725_200011292268 [0,1,0,1,0,0|0,0,0]=2 21178 B15R1.35 O=CCCCSCCCC1CCCCC1 62a_200011292268_100011713725 [0,1,0,1,0,0|0,0,0]=2 21179 B15R1.35 O=CCCCSCCCN1CCCCC1 62a_100132302099_200011292268 [0,1,0,1,0,0|1,0,0]=3 21180 B15R1.35 O=CCCCSCCCN1CCCCC1 62a_200011292268_100000007876 [0,1,0,1,0,0|1,0,0]=3 21181 B15R1.35 O=CCCCSCCCN1CCOCC1 62a_200011292268_100000748698 [0,1,0,1,0,0|2,0,0]=4 21182 B15R1.35 O=CCCCSCCOC1CCCCC1 62a_100011211530_200011292268 [0,1,0,1,0,0|1,0,0]=3 21183 B15R1.35 O=CCCCSCCOC1CCCCC1 62a_200011292268_100011211530 [0,1,0,1,0,0|1,0,0]=3 21184 B15R1.35 O=CCCCSCCOC1CCCCO1 62a_100000744793_200011292268 [0,1,0,1,0,0|2,0,0]=4 21185 B15R1.35 O=CCCCSCCOC1CCCCO1 62a_200011292268_100000744793 [0,1,0,1,0,0|2,0,0]=4 21186 B15R1.35 O=CCNCCCCCN1CCOCC1 2230a_100015187005_200015260668 [0,1,0,1,0,0|2,0,0]=4 21187 B15R1.35 O=CCOCCCCCN1CCCCC1 34a_100011216611_200009817547 [0,1,0,1,0,0|1,0,0]=3 21188 B15R1.35 O=CCOCCCCCN1CCCCC1 7a_100011216611_200015260668 [0,1,0,1,0,0|1,0,0]=3 21189 B15R1.35 O=CCOCCOCCN1CCCCC1 34a_200011409831_200009817547 [0,1,0,1,0,0|2,0,0]=4 21190 B15R1.35 O=CCOCCOCCN1CCCCC1 7a_200011409831_200015260668 [0,1,0,1,0,0|2,0,0]=4 21191 B15R1.35 O=CCSCCCCOC1CCCCO1 62a_100000031530_200015260668 [0,1,0,1,0,0|2,0,0]=4 21192 B15R1.35 O=CCSCCCCOC1CCCCO1 62a_200015260668_100000031530 [0,1,0,1,0,0|2,0,0]=4 21193 B15R1.35 OCCCCCCCNC1C=CCCC1 2230a_100011996573_100000751183 [0,1,0,1,0,0|2,0,0]=4 21194 B15R1.35 OCCCCCCCNC1CCCCC1 2230a_100000182618_100000760002 [0,1,0,1,0,0|0,0,2]=4 21195 B15R1.35 OCCCCCCCNC1CCCCC1 270004a_100011996573_100000210434 [0,1,0,1,0,0|0,0,2]=4 21196 B15R1.35 OCCCCCCCNC1CCCCC1 34a_100000182618_100000760002 [0,1,0,1,0,0|0,0,2]=4 21197 B15R1.35 OCCCCCCCNC1CCCCC1 34a_100011996573_100000210327 [0,1,0,1,0,0|0,0,2]=4 21198 B15R1.35 OCCCCCCCOC1C=CCCC1 34a_100011215024_100000760002 [0,1,0,1,0,0|2,0,0]=4 21199 B15R1.35 OCCCCCCCOC1CCCCC1 34a_100000210231_100000760002 [0,1,0,1,0,0|0,0,2]=4 21200 B15R1.35 OCCCCCCCOC1CCCCC1 7a_100000210231_100000760002 [0,1,0,1,0,0|0,0,2]=4 21201 B15R1.35 OCCCCCCCSC1C=CCCC1 62a_100000751183_100000760002 [0,1,0,1,0,0|2,0,0]=4 21202 B15R1.35 OCCCCCCCSC1C=CCCC1 62a_100000760002_100000751183 [0,1,0,1,0,0|2,0,0]=4 21203 B15R1.35 OCCCCCCCSC1CCCCC1 62a_100000210327_100000760002 [0,1,0,1,0,0|0,0,2]=4 21204 B15R1.35 OCCCCCCCSC1CCCCC1 62a_100000760002_100000210327 [0,1,0,1,0,0|0,0,2]=4 21205 B15R1.35 OCCCCCCNCC1CCCCC1 2230a_100000210473_100000766143 [0,1,0,1,0,0|0,0,2]=4 21206 B15R1.35 OCCCCCCNCC1CCCCC1 2230a_100000686447_100000211423 [0,1,0,1,0,0|0,0,2]=4 21207 B15R1.35 OCCCCCCNCC1CCCCC1 269862a_100000686447_100000211278 [0,1,0,1,0,0|0,0,2]=4 21208 B15R1.35 OCCCCCCNCC1CCCCC1 34a_100000210473_100000766143 [0,1,0,1,0,0|0,0,2]=4 21209 B15R1.35 OCCCCCCNCC1CCCCC1 34a_100000686447_100000211423 [0,1,0,1,0,0|0,0,2]=4 21210 B15R1.35 OCCCCCCOCC1CCCCC1 34a_100000212181_100000766143 [0,1,0,1,0,0|0,0,2]=4 21211 B15R1.35 OCCCCCCOCC1CCCCC1 7a_100000212181_100000766143 [0,1,0,1,0,0|0,0,2]=4 21212 B15R1.35 OCCCCCCSCC1CCCCC1 62a_100000211423_100000766143 [0,1,0,1,0,0|0,0,2]=4 21213 B15R1.35 OCCCCCCSCC1CCCCC1 62a_100000766143_100000211423 [0,1,0,1,0,0|0,0,2]=4 21214 B15R1.35 OCCCCCNCCC1CCCCC1 2230a_100000738074_100000746330 [0,1,0,1,0,0|0,0,2]=4 21215 B15R1.35 OCCCCCNCCC1CCCCC1 2230a_100000762737_100012355289 [0,1,0,1,0,0|0,0,2]=4 21216 B15R1.35 OCCCCCNCCC1CCCCC1 270004a_100000762737_100011713444 [0,1,0,1,0,0|0,0,2]=4 21217 B15R1.35 OCCCCCNCCC1CCCCC1 34a_100000738074_100000746330 [0,1,0,1,0,0|0,0,2]=4 21218 B15R1.35 OCCCCCNCCC1CCCCC1 34a_100000762737_100011209188 [0,1,0,1,0,0|0,0,2]=4 21219 B15R1.35 OCCCCCOCCC1CCCCC1 34a_100011217863_100000746330 [0,1,0,1,0,0|0,0,2]=4 21220 B15R1.35 OCCCCCOCCC1CCCCC1 7a_100011217863_100000746330 [0,1,0,1,0,0|0,0,2]=4 21221 B15R1.35 OCCCCCSCCC1CCCCC1 62a_100000746330_100012355289 [0,1,0,1,0,0|0,0,2]=4 21222 B15R1.35 OCCCCCSCCC1CCCCC1 62a_100012355289_100000746330 [0,1,0,1,0,0|0,0,2]=4 21223 B15R1.35 OCCCCNCCCC1CCCCC1 2230a_100000750430_100011713725 [0,1,0,1,0,0|0,0,2]=4 21224 B15R1.35 OCCCCNCCCC1CCCCC1 2230a_100011211642_100000210776 [0,1,0,1,0,0|0,0,2]=4 21225 B15R1.35 OCCCCNCCCC1CCCCC1 34a_100000750430_100011713725 [0,1,0,1,0,0|0,0,2]=4 21226 B15R1.35 OCCCCNCCCC1CCCCC1 34a_100011211642_100011216708 [0,1,0,1,0,0|0,0,2]=4 21227 B15R1.35 OCCCCOCCCC1CCCCC1 34a_100000198086_100011216708 [0,1,0,1,0,0|0,0,2]=4 21228 B15R1.35 OCCCCOCCCC1CCCCC1 7a_100000198086_100000210776 [0,1,0,1,0,0|0,0,2]=4 21229 B15R1.35 OCCCCSCCCC1CCCCC1 62a_100000210776_100011713725 [0,1,0,1,0,0|0,0,2]=4 21230 B15R1.35 OCCCCSCCCC1CCCCC1 62a_100011713725_100000210776 [0,1,0,1,0,0|0,0,2]=4 21231 B15R1.35 OCCCOCCCCC1CCCCC1 34a_100011215267_100000230001 [0,1,0,1,0,0|0,0,2]=4 21232 B15R1.35 OCCCOCCCCC1CCCCC1 7a_100011215267_100011215043 [0,1,0,1,0,0|0,0,2]=4 21233 B15R1.220 C#CCCCCCCN1CCCCC1C 2230a_100000211376_100012276617 [0,1,0,1,0,0|1,0,1]=4 21234 B15R1.220 C#CCCCCCCN1CCCCC1C 269982a_100000211376_100012276617 [0,1,0,1,0,0|1,0,1]=4 21235 B15R1.220 C#CCCCCCCN1CCCCC1C 34a_100000211376_100012276617 [0,1,0,1,0,0|1,0,1]=4 21236 B15R1.220 C#CCCCCCNC1CCCCC1C 2230a_100000211402_100012094781 [0,1,0,1,0,0|1,0,1]=4 21237 B15R1.220 C#CCCCCCNC1CCCCC1C 34a_100000211402_100012094781 [0,1,0,1,0,0|1,0,1]=4 21238 B15R1.220 C#CCCCCCOC1CCCCC1=O 34a_100000766912_100000754470 [0,1,0,1,0,0|0,0,2]=4 21239 B15R1.220 C#CCCCCCOC1CCCCC1=O 34a_100011214950_100012094781 [0,1,0,1,0,0|0,0,2]=4 21240 B15R1.220 C#CCCCCCOC1CCCCC1=O 7a_100000766912_100000204591 [0,1,0,1,0,0|0,0,2]=4 21241 B15R1.220 C#CCCCCCOC1CCCCC1C 34a_100000211207_100012094781 [0,1,0,1,0,0|1,0,1]=4 21242 B15R1.220 C#CCCCCCOC1CCCCC1C 7a_100000211207_100012094781 [0,1,0,1,0,0|1,0,1]=4 21243 B15R1.220 C#CCCCCCSC1CCCCC1=O 62a_100000204591_100012094781 [0,1,0,1,0,0|0,0,2]=4 21244 B15R1.220 C#CCCCCCSC1CCCCC1=O 62a_100012094781_100000204591 [0,1,0,1,0,0|0,0,2]=4 21245 B15R1.220 C#CCCCCOCC1CCCCC1=O 34a_100009861125_100010269958 [0,1,0,1,0,0|0,0,2]=4 21246 B15R1.220 C#CCCCCOCC1CCCCC1=O 7a_100009861125_100010269958 [0,1,0,1,0,0|0,0,2]=4 21247 B15R1.220 C=CCCCCCCN1CCCCC1C 2230a_100000211376_100011215473 [0,1,0,1,0,0|1,0,0]=3 21248 B15R1.220 C=CCCCCCCN1CCCCC1C 269982a_100000211376_100011215473 [0,1,0,1,0,0|1,0,0]=3 21249 B15R1.220 C=CCCCCCCN1CCCCC1C 34a_100000211376_100011215473 [0,1,0,1,0,0|1,0,0]=3 21250 B15R1.220 C=CCCCCCCN1CCOC[C@@H]1C 2230a_100009815349_100011215473 [0,1,0,1,0,0|2,0,0]=4 21251 B15R1.220 C=CCCCCCCN1CCOC[C@@H]1C 269982a_100009815349_100011215473 [0,1,0,1,0,0|2,0,0]=4 21252 B15R1.220 C=CCCCCCCN1CCOC[C@@H]1C 34a_100009815349_100011215473 [0,1,0,1,0,0|2,0,0]=4 21253 B15R1.220 C=CCCCCCNC1CCCCC1C 2230a_100000211402_100000700193 [0,1,0,1,0,0|1,0,0]=3 21254 B15R1.220 C=CCCCCCNC1CCCCC1C 34a_100000211402_100000700193 [0,1,0,1,0,0|1,0,0]=3 21255 B15R1.220 C=CCCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000700193 [0,1,0,1,0,0|2,0,0]=4 21256 B15R1.220 C=CCCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000700193 [0,1,0,1,0,0|2,0,0]=4 21257 B15R1.220 C=CCCCCCOC1CCCCC1=O 34a_100011214950_100000700193 [0,1,0,1,0,0|0,0,2]=4 21258 B15R1.220 C=CCCCCCOC1CCCCC1=O 34a_100011216702_100000754470 [0,1,0,1,0,0|0,0,2]=4 21259 B15R1.220 C=CCCCCCOC1CCCCC1=O 7a_100011216702_100000204591 [0,1,0,1,0,0|0,0,2]=4 21260 B15R1.220 C=CCCCCCOC1CCCCC1C 34a_100000211207_100000700193 [0,1,0,1,0,0|1,0,0]=3 21261 B15R1.220 C=CCCCCCOC1CCCCC1C 7a_100000211207_100000700193 [0,1,0,1,0,0|1,0,0]=3 21262 B15R1.220 C=CCCCCCOC1CCCCC1Cl 34a_100000038908_100000700193 [0,1,0,1,0,0|2,0,0]=4 21263 B15R1.220 C=CCCCCCOC1CCCCC1Cl 7a_100000038908_100000700193 [0,1,0,1,0,0|2,0,0]=4 21264 B15R1.220 C=CCCCCCOC1CCCCC1F 34a_100011216702_100015423560 [0,1,0,1,0,0|2,0,0]=4 21265 B15R1.220 C=CCCCCCOC1CCCCC1O 34a_100011216702_100000038908 [0,1,0,1,0,0|2,0,0]=4 21266 B15R1.220 C=CCCCCCOC1CCNCC1C 34a_100011998114_100000700193 [0,1,0,1,0,0|2,0,0]=4 21267 B15R1.220 C=CCCCCCOC1CNCCC1C 34a_100000696640_100000700193 [0,1,0,1,0,0|2,0,0]=4 21268 B15R1.220 C=CCCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000700193 [0,1,0,1,0,0|2,0,0]=4 21269 B15R1.220 C=CCCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000700193 [0,1,0,1,0,0|2,0,0]=4 21270 B15R1.220 C=CCCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000700193 [0,1,0,1,0,0|2,0,0]=4 21271 B15R1.220 C=CCCCCCSC1CCCCC1=O 62a_100000204591_100000700193 [0,1,0,1,0,0|0,0,2]=4 21272 B15R1.220 C=CCCCCCSC1CCCCC1=O 62a_100000700193_100000204591 [0,1,0,1,0,0|0,0,2]=4 21273 B15R1.220 C=CCCCCCSC1CCCCC1F 62a_100000700193_100015423560 [0,1,0,1,0,0|2,0,0]=4 21274 B15R1.220 C=CCCCCCSC1CCCCC1F 62a_100015423560_100000700193 [0,1,0,1,0,0|2,0,0]=4 21275 B15R1.220 C=CCCCCCSC1CCCCC1O 62a_100000038908_100000700193 [0,1,0,1,0,0|2,0,0]=4 21276 B15R1.220 C=CCCCCCSC1CCCCC1O 62a_100000700193_100000038908 [0,1,0,1,0,0|2,0,0]=4 21277 B15R1.220 C=CCCCCNCC1CCCCC1O 34a_100011216029_100011215482 [0,1,0,1,0,0|2,0,0]=4 21278 B15R1.220 C=CCCCCNCC1CCCCN1C 34a_100000703577_100015186950 [0,1,0,1,0,0|2,0,0]=4 21279 B15R1.220 C=CCCCCNCC1CCCCN1C 34a_100011228421_100011215482 [0,1,0,1,0,0|2,0,0]=4 21280 B15R1.220 C=CCCCCOCC1CCCCC1=O 34a_100009861125_100011215482 [0,1,0,1,0,0|0,0,2]=4 21281 B15R1.220 C=CCCCCOCC1CCCCC1=O 7a_100009861125_100011215482 [0,1,0,1,0,0|0,0,2]=4 21282 B15R1.220 C=CCCCCOCC1CCCCN1C 34a_100000225079_100011215482 [0,1,0,1,0,0|2,0,0]=4 21283 B15R1.220 C=CCCCCOCC1CCCCN1C 34a_100000766645_100015186950 [0,1,0,1,0,0|2,0,0]=4 21284 B15R1.220 C=CCCCCOCC1CCCCN1C 7a_100000766645_100015185383 [0,1,0,1,0,0|2,0,0]=4 21285 B15R1.220 C=CCCCCSCC1CCCCN1C 62a_100011215482_100015185383 [0,1,0,1,0,0|2,0,0]=4 21286 B15R1.220 C=CCCCCSCC1CCCCN1C 62a_100015185383_100011215482 [0,1,0,1,0,0|2,0,0]=4 21287 B15R1.220 C=CCCCNCCC1CCCCN1C 2230a_100000700776_100000211948 [0,1,0,1,0,0|2,0,0]=4 21288 B15R1.220 C=CCCCNCCC1CCCCN1C 34a_100000700776_100000211948 [0,1,0,1,0,0|2,0,0]=4 21289 B15R1.220 C=CCCCNCCN1CCCCC1C 2230a_100000739827_100011713584 [0,1,0,1,0,0|2,0,0]=4 21290 B15R1.220 C=CCCCNCCN1CCCCC1C 34a_100000739827_100000757094 [0,1,0,1,0,0|2,0,0]=4 21291 B15R1.220 C=CCCCOCCC1CCCCN1C 34a_100000758997_100000211948 [0,1,0,1,0,0|2,0,0]=4 21292 B15R1.220 C=CCCCOCCC1CCCCN1C 7a_100000758997_100000211948 [0,1,0,1,0,0|2,0,0]=4 21293 B15R1.220 C=CCCCOCCN1CCCCC1C 34a_100011305533_100000757094 [0,1,0,1,0,0|2,0,0]=4 21294 B15R1.220 C=CCCCSCCC1CCCCN1C 62a_100000211948_100000757094 [0,1,0,1,0,0|2,0,0]=4 21295 B15R1.220 C=CCCCSCCC1CCCCN1C 62a_100011713584_100000211948 [0,1,0,1,0,0|2,0,0]=4 21296 B15R1.220 C=CCCNCCCN1CCCCC1C 34a_100000212276_100000754431 [0,1,0,1,0,0|2,0,0]=4 21297 B15R1.220 C=CCCOCCCN1CCCCC1C 34a_100000213889_100000754431 [0,1,0,1,0,0|2,0,0]=4 21298 B15R1.220 C=CCCOCCCN1CCCCC1C 7a_100000213889_100000754431 [0,1,0,1,0,0|2,0,0]=4 21299 B15R1.220 CC/C=C/CCCOC1CCCCC1=O 34a_100016287902_100000754470 [0,1,0,1,0,0|0,0,2]=4 21300 B15R1.220 CC/C=C/CCCOC1CCCCC1=O 7a_100016287902_100000204591 [0,1,0,1,0,0|0,0,2]=4 21301 B15R1.220 CC/C=C\CCOCC1CCCCC1=O 34a_100009861125_100015370543 [0,1,0,1,0,0|0,0,2]=4 21302 B15R1.220 CC/C=C\CCOCC1CCCCC1=O 7a_100009861125_100015370543 [0,1,0,1,0,0|0,0,2]=4 21303 B15R1.220 CC1CCCCC1NCCCCCC#N 2230a_100000211402_100009813376 [0,1,0,1,0,0|1,0,1]=4 21304 B15R1.220 CC1CCCCC1NCCCCCC#N 270004a_100000061152_100000210921 [0,1,0,1,0,0|1,0,1]=4 21305 B15R1.220 CC1CCCCC1NCCCCCC=O 2230a_100000211402_100000139337 [0,1,0,1,0,0|0,0,0]=2 21306 B15R1.220 CC1CCCCC1NCCCCCCF 2230a_100000211402_100015922095 [0,1,0,1,0,0|1,0,1]=4 21307 B15R1.220 CC1CCCCC1NCCCCCCF 34a_100000211402_100015922095 [0,1,0,1,0,0|1,0,1]=4 21308 B15R1.220 CC1CCCCC1NCCCCCCO 2230a_100000211402_100000766143 [0,1,0,1,0,0|0,0,2]=4 21309 B15R1.220 CC1CCCCC1NCCCCCCO 269862a_100000686447_100000210921 [0,1,0,1,0,0|0,0,2]=4 21310 B15R1.220 CC1CCCCC1NCCCCCCO 270004a_100000686447_100000210921 [0,1,0,1,0,0|0,0,2]=4 21311 B15R1.220 CC1CCCCC1NCCCCCCO 34a_100000211402_100000766143 [0,1,0,1,0,0|0,0,2]=4 21312 B15R1.220 CC1CCCCC1OCCCCCC#N 7a_100000211207_100009813376 [0,1,0,1,0,0|1,0,1]=4 21313 B15R1.220 CC1CCCCC1OCCCCCC=O 7a_100000211207_100000139337 [0,1,0,1,0,0|0,0,0]=2 21314 B15R1.220 CC1CCCCC1OCCCCCCF 34a_100000211207_100015922095 [0,1,0,1,0,0|1,0,1]=4 21315 B15R1.220 CC1CCCCC1OCCCCCCF 7a_100000211207_100015922095 [0,1,0,1,0,0|1,0,1]=4 21316 B15R1.220 CC1CCCCC1OCCCCCCO 34a_100000211207_100000766143 [0,1,0,1,0,0|0,0,2]=4 21317 B15R1.220 CC1CCCCC1OCCCCCCO 7a_100000211207_100000766143 [0,1,0,1,0,0|0,0,2]=4 21318 B15R1.220 CC1CCCCN1CCCCCCC#N 2230a_100000211376_100009813337 [0,1,0,1,0,0|1,0,1]=4 21319 B15R1.220 CC1CCCCN1CCCCCCC#N 269982a_100000211376_100009813337 [0,1,0,1,0,0|1,0,1]=4 21320 B15R1.220 CC1CCCCN1CCCCCCCO 2230a_100000211376_100000760002 [0,1,0,1,0,0|0,0,2]=4 21321 B15R1.220 CC1CCCCN1CCCCCCCO 269982a_100000211376_100000760002 [0,1,0,1,0,0|0,0,2]=4 21322 B15R1.220 CC1CCCCN1CCCCCCCO 34a_100000211376_100000760002 [0,1,0,1,0,0|0,0,2]=4 21323 B15R1.220 CC1CCCCN1CCNCCCC=O 2230a_100000739827_200011292268 [0,1,0,1,0,0|1,0,0]=3 21324 B15R1.220 CCCC#CCCOC1CCCCC1=O 34a_100000042726_100000754470 [0,1,0,1,0,0|0,0,2]=4 21325 B15R1.220 CCCC#CCCOC1CCCCC1=O 7a_100000042726_100000204591 [0,1,0,1,0,0|0,0,2]=4 21326 B15R1.220 CCCC/C=C/COC1CCCCC1=O 34a_200016272032_100000754470 [0,1,0,1,0,0|0,0,2]=4 21327 B15R1.220 CCCC/C=C/COC1CCCCC1=O 7a_200016272032_100000204591 [0,1,0,1,0,0|0,0,2]=4 21328 B15R1.220 CCCCC#CCOC1CCCCC1=O 34a_200000034558_100000754470 [0,1,0,1,0,0|0,0,2]=4 21329 B15R1.220 CCCCC#CCOC1CCCCC1=O 7a_200000034558_100000204591 [0,1,0,1,0,0|0,0,2]=4 21330 B15R1.220 CCCCCCCCN1CCCCC1C 2230a_100000211376_100000210759 [0,1,0,1,0,0|1,0,1]=4 21331 B15R1.220 CCCCCCCCN1CCCCC1C 269982a_100000211376_100000210759 [0,1,0,1,0,0|1,0,1]=4 21332 B15R1.220 CCCCCCCCN1CCCCC1C 34a_100000211376_100000210759 [0,1,0,1,0,0|1,0,1]=4 21333 B15R1.220 CCCCCCCNC1CCCCC1C 2230a_100000211402_100000210681 [0,1,0,1,0,0|1,0,1]=4 21334 B15R1.220 CCCCCCCNC1CCCCC1C 269862a_100000229938_100000210921 [0,1,0,1,0,0|1,0,1]=4 21335 B15R1.220 CCCCCCCNC1CCCCC1C 270004a_100000229938_100000210921 [0,1,0,1,0,0|1,0,1]=4 21336 B15R1.220 CCCCCCCNC1CCCCC1C 34a_100000211402_100000210614 [0,1,0,1,0,0|1,0,1]=4 21337 B15R1.220 CCCCCCCNC1CCCNC1=O 2230a_100000229938_100000687798 [0,1,0,1,0,0|1,0,0]=3 21338 B15R1.220 CCCCCCCNC1CCCNC1=O 2230a_100000747585_100000210681 [0,1,0,1,0,0|1,0,0]=3 21339 B15R1.220 CCCCCCCNC1CCCNC1=O 34a_100000747585_100000210614 [0,1,0,1,0,0|1,0,0]=3 21340 B15R1.220 CCCCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210681 [0,1,0,1,0,0|1,0,1]=4 21341 B15R1.220 CCCCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210614 [0,1,0,1,0,0|1,0,1]=4 21342 B15R1.220 CCCCCCCOC1CCCCC1=O 34a_100000210272_100000754470 [0,1,0,1,0,0|0,0,0]=2 21343 B15R1.220 CCCCCCCOC1CCCCC1=O 34a_100011214950_100000210614 [0,1,0,1,0,0|0,0,0]=2 21344 B15R1.220 CCCCCCCOC1CCCCC1=O 7a_100000210272_100000204591 [0,1,0,1,0,0|0,0,0]=2 21345 B15R1.220 CCCCCCCOC1CCCCC1C 34a_100000211207_100000210614 [0,1,0,1,0,0|1,0,1]=4 21346 B15R1.220 CCCCCCCOC1CCCCC1C 7a_100000211207_100000210614 [0,1,0,1,0,0|1,0,1]=4 21347 B15R1.220 CCCCCCCOC1CCCCC1Cl 34a_100000038908_100000210614 [0,1,0,1,0,0|1,0,1]=4 21348 B15R1.220 CCCCCCCOC1CCCCC1Cl 7a_100000038908_100000210614 [0,1,0,1,0,0|1,0,1]=4 21349 B15R1.220 CCCCCCCOC1CCCCC1F 34a_100000210272_100015423560 [0,1,0,1,0,0|1,0,1]=4 21350 B15R1.220 CCCCCCCOC1CCCCC1O 34a_100000210272_100000038908 [0,1,0,1,0,0|0,0,2]=4 21351 B15R1.220 CCCCCCCOC1CCCNC1=O 34a_100000073722_100000210614 [0,1,0,1,0,0|1,0,0]=3 21352 B15R1.220 CCCCCCCOC1CCCNC1=O 34a_100000210272_100000687798 [0,1,0,1,0,0|1,0,0]=3 21353 B15R1.220 CCCCCCCOC1CCCNC1=O 7a_100000210272_100000687798 [0,1,0,1,0,0|1,0,0]=3 21354 B15R1.220 CCCCCCCOC1COCCC1=O 34a_100000210272_100012180262 [0,1,0,1,0,0|1,0,0]=3 21355 B15R1.220 CCCCCCCOC1COCCC1=O 7a_100000210272_100012180262 [0,1,0,1,0,0|1,0,0]=3 21356 B15R1.220 CCCCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210614 [0,1,0,1,0,0|1,0,1]=4 21357 B15R1.220 CCCCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210614 [0,1,0,1,0,0|1,0,1]=4 21358 B15R1.220 CCCCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210614 [0,1,0,1,0,0|1,0,1]=4 21359 B15R1.220 CCCCCCCSC1CCCCC1=O 62a_100000204591_100000210316 [0,1,0,1,0,0|0,0,0]=2 21360 B15R1.220 CCCCCCCSC1CCCCC1=O 62a_100000210614_100000204591 [0,1,0,1,0,0|0,0,0]=2 21361 B15R1.220 CCCCCCCSC1CCCCC1F 62a_100000210614_100015423560 [0,1,0,1,0,0|1,0,1]=4 21362 B15R1.220 CCCCCCCSC1CCCCC1F 62a_100015423560_100000210316 [0,1,0,1,0,0|1,0,1]=4 21363 B15R1.220 CCCCCCCSC1CCCCC1O 62a_100000038908_100000210316 [0,1,0,1,0,0|0,0,2]=4 21364 B15R1.220 CCCCCCCSC1CCCCC1O 62a_100000210614_100000038908 [0,1,0,1,0,0|0,0,2]=4 21365 B15R1.220 CCCCCCCSC1CCCNC1=O 62a_100000210614_100000687798 [0,1,0,1,0,0|1,0,0]=3 21366 B15R1.220 CCCCCCCSC1CCCNC1=O 62a_100000687798_100000210316 [0,1,0,1,0,0|1,0,0]=3 21367 B15R1.220 CCCCCCCSC1COCCC1=O 62a_100000210614_100012180262 [0,1,0,1,0,0|1,0,0]=3 21368 B15R1.220 CCCCCCCSC1COCCC1=O 62a_100012180262_100000210316 [0,1,0,1,0,0|1,0,0]=3 21369 B15R1.220 CCCCCCNCC1CCCCC1O 34a_100011216029_100000210314 [0,1,0,1,0,0|0,0,2]=4 21370 B15R1.220 CCCCCCNCC1CCCCN1C 34a_100011228421_100000210314 [0,1,0,1,0,0|2,0,0]=4 21371 B15R1.220 CCCCCCOCC1CCCCC1=O 34a_100009861125_100000210314 [0,1,0,1,0,0|0,0,0]=2 21372 B15R1.220 CCCCCCOCC1CCCCC1=O 7a_100009861125_100000210314 [0,1,0,1,0,0|0,0,0]=2 21373 B15R1.220 CCCCCCOCC1CCCCN1C 34a_100000210259_100015186950 [0,1,0,1,0,0|2,0,0]=4 21374 B15R1.220 CCCCCCOCC1CCCCN1C 34a_100000225079_100000210314 [0,1,0,1,0,0|2,0,0]=4 21375 B15R1.220 CCCCCCOCC1CCCCN1C 7a_100000210259_100015185383 [0,1,0,1,0,0|2,0,0]=4 21376 B15R1.220 CCCCCCSCC1CCCCN1C 62a_100000210314_100015185383 [0,1,0,1,0,0|2,0,0]=4 21377 B15R1.220 CCCCCCSCC1CCCCN1C 62a_100015185383_100000210757 [0,1,0,1,0,0|2,0,0]=4 21378 B15R1.220 CCCCCNCCC1CCCCN1C 2230a_100000209983_100000211948 [0,1,0,1,0,0|2,0,0]=4 21379 B15R1.220 CCCCCNCCN1CCCCC1=O 2230a_100160573077_100000210326 [0,1,0,1,0,0|1,0,0]=3 21380 B15R1.220 CCCCCNCCN1CCCCC1=O 34a_100160573077_100000718602 [0,1,0,1,0,0|1,0,0]=3 21381 B15R1.220 CCCCCOCCC1CCCCN1C 34a_100000210253_100000211948 [0,1,0,1,0,0|2,0,0]=4 21382 B15R1.220 CCCCCOCCC1CCCCN1C 7a_100000210253_100000211948 [0,1,0,1,0,0|2,0,0]=4 21383 B15R1.220 CCCCCOCCC1NCCNC1=O 34a_100000044719_100000718602 [0,1,0,1,0,0|2,0,0]=4 21384 B15R1.220 CCCCCSCCC1CCCCN1C 62a_100000210326_100000211948 [0,1,0,1,0,0|2,0,0]=4 21385 B15R1.220 CCCCCSCCC1CCCCN1C 62a_100000211948_100000210326 [0,1,0,1,0,0|2,0,0]=4 21386 B15R1.220 CCCCOCCNC1CCCNC1=O 2230a_100000747585_100000743108 [0,1,0,1,0,0|2,0,0]=4 21387 B15R1.220 CCCCOCCNC1CCCNC1=O 34a_100000747585_100000743108 [0,1,0,1,0,0|2,0,0]=4 21388 B15R1.220 CCCCOCCOC1CCCCC1=O 34a_100000210238_100000754470 [0,1,0,1,0,0|1,0,0]=3 21389 B15R1.220 CCCCOCCOC1CCCCC1=O 34a_100011214950_100000743108 [0,1,0,1,0,0|1,0,0]=3 21390 B15R1.220 CCCCOCCOC1CCCCC1=O 7a_100000210238_100000204591 [0,1,0,1,0,0|1,0,0]=3 21391 B15R1.220 CCCCOCCOC1CCCNC1=O 34a_100000073722_100000743108 [0,1,0,1,0,0|2,0,0]=4 21392 B15R1.220 CCCCOCCOC1CCCNC1=O 34a_100000210238_100000687798 [0,1,0,1,0,0|2,0,0]=4 21393 B15R1.220 CCCCOCCOC1CCCNC1=O 7a_100000210238_100000687798 [0,1,0,1,0,0|2,0,0]=4 21394 B15R1.220 CCCCOCCOC1COCCC1=O 34a_100000210238_100012180262 [0,1,0,1,0,0|2,0,0]=4 21395 B15R1.220 CCCCOCCOC1COCCC1=O 7a_100000210238_100012180262 [0,1,0,1,0,0|2,0,0]=4 21396 B15R1.220 CCCCOCCSC1CCCCC1=O 62a_100000204591_100000743108 [0,1,0,1,0,0|1,0,0]=3 21397 B15R1.220 CCCCOCCSC1CCCCC1=O 62a_100000743108_100000204591 [0,1,0,1,0,0|1,0,0]=3 21398 B15R1.220 CCCCOCCSC1CCCNC1=O 62a_100000687798_100000743108 [0,1,0,1,0,0|2,0,0]=4 21399 B15R1.220 CCCCOCCSC1CCCNC1=O 62a_100000743108_100000687798 [0,1,0,1,0,0|2,0,0]=4 21400 B15R1.220 CCCCOCCSC1COCCC1=O 62a_100000743108_100012180262 [0,1,0,1,0,0|2,0,0]=4 21401 B15R1.220 CCCCOCCSC1COCCC1=O 62a_100012180262_100000743108 [0,1,0,1,0,0|2,0,0]=4 21402 B15R1.220 CCCCOCOCC1CCCCC1=O 34a_100009861125_100011995733 [0,1,0,1,0,0|1,0,0]=3 21403 B15R1.220 CCCCSCCNC1CCCNC1=O 2230a_100025743550_100000687798 [0,1,0,1,0,0|2,0,0]=4 21404 B15R1.220 CCCCSCCOC1CCCCC1=O 34a_200000230436_100000754470 [0,1,0,1,0,0|1,0,0]=3 21405 B15R1.220 CCCCSCCOC1CCCCC1=O 7a_200000230436_100000204591 [0,1,0,1,0,0|1,0,0]=3 21406 B15R1.220 CCCCSCCOC1CCCNC1=O 34a_200000230436_100000687798 [0,1,0,1,0,0|2,0,0]=4 21407 B15R1.220 CCCCSCCOC1CCCNC1=O 7a_200000230436_100000687798 [0,1,0,1,0,0|2,0,0]=4 21408 B15R1.220 CCCCSCCOC1COCCC1=O 34a_200000230436_100012180262 [0,1,0,1,0,0|2,0,0]=4 21409 B15R1.220 CCCCSCCOC1COCCC1=O 7a_200000230436_100012180262 [0,1,0,1,0,0|2,0,0]=4 21410 B15R1.220 CCCOCCCNC1CCCCC1=O 34a_100011217757_100000754470 [0,1,0,1,0,0|1,0,0]=3 21411 B15R1.220 CCCOCCCNC1CCCNC1=O 2230a_100011217757_100000687798 [0,1,0,1,0,0|2,0,0]=4 21412 B15R1.220 CCCOCCCNC1CCCNC1=O 34a_100011217757_100000687798 [0,1,0,1,0,0|2,0,0]=4 21413 B15R1.220 CCCOCCCNC1COCCC1=O 34a_100011217757_100012180262 [0,1,0,1,0,0|2,0,0]=4 21414 B15R1.220 CCCOCCOCC1CCCCC1=O 34a_100009861125_100011215938 [0,1,0,1,0,0|1,0,0]=3 21415 B15R1.220 CCCOCCOCC1CCCCC1=O 7a_100009861125_100011215938 [0,1,0,1,0,0|1,0,0]=3 21416 B15R1.220 CCOCCCOCC1CCCCC1=O 34a_100009861125_100012232248 [0,1,0,1,0,0|1,0,0]=3 21417 B15R1.220 CCOCCCOCC1CCCCC1=O 7a_100009861125_100012232248 [0,1,0,1,0,0|1,0,0]=3 21418 B15R1.220 CCOCCNCCN1CCCCC1=O 2230a_100160573077_100011215890 [0,1,0,1,0,0|2,0,0]=4 21419 B15R1.220 CCOCCNCCN1CCCCC1=O 34a_100160573077_100000210147 [0,1,0,1,0,0|2,0,0]=4 21420 B15R1.220 CCSCCNCCN1CCCCC1=O 2230a_100160573077_100000757381 [0,1,0,1,0,0|2,0,0]=4 21421 B15R1.220 CCSCCNCCN1CCCCC1=O 34a_100160573077_100000757381 [0,1,0,1,0,0|2,0,0]=4 21422 B15R1.220 CN1CCCCC1CCSCCCC=O 62a_100000211948_200011292268 [0,1,0,1,0,0|1,0,0]=3 21423 B15R1.220 CN1CCCCC1CCSCCCC=O 62a_200011292268_100000211948 [0,1,0,1,0,0|1,0,0]=3 21424 B15R1.220 CN1CCCCC1CSCCCCC=O 62a_100000139335_100015185383 [0,1,0,1,0,0|1,0,0]=3 21425 B15R1.220 CN1CCCCC1CSCCCCC=O 62a_100015185383_100000139335 [0,1,0,1,0,0|1,0,0]=3 21426 B15R1.220 CNCCCCCOC1CCCCC1=O 34a_100000722520_100000754470 [0,1,0,1,0,0|1,0,0]=3 21427 B15R1.220 CNCCCCCOC1CCCNC1=O 34a_100000722520_100000687798 [0,1,0,1,0,0|2,0,0]=4 21428 B15R1.220 CNCCCCCOC1COCCC1=O 34a_100000722520_100012180262 [0,1,0,1,0,0|2,0,0]=4 21429 B15R1.220 CNCCOCCOC1CCCCC1=O 34a_100000228057_100000754470 [0,1,0,1,0,0|2,0,0]=4 21430 B15R1.220 COCCCCCCN1CCCCC1C 2230a_100000211376_100011998445 [0,1,0,1,0,0|2,0,0]=4 21431 B15R1.220 COCCCCCCN1CCCCC1C 269982a_100000211376_100011998445 [0,1,0,1,0,0|2,0,0]=4 21432 B15R1.220 COCCCCCCN1CCCCC1C 34a_100000211376_100011998445 [0,1,0,1,0,0|2,0,0]=4 21433 B15R1.220 COCCCCCNC1CCCCC1=O 34a_100000747528_100000754470 [0,1,0,1,0,0|1,0,0]=3 21434 B15R1.220 COCCCCCNC1CCCCC1C 269862a_100000747528_100000210921 [0,1,0,1,0,0|2,0,0]=4 21435 B15R1.220 COCCCCCNC1CCCCC1C 270004a_100000747528_100000210921 [0,1,0,1,0,0|2,0,0]=4 21436 B15R1.220 COCCCCCNC1CCCNC1=O 2230a_100000747528_100000687798 [0,1,0,1,0,0|2,0,0]=4 21437 B15R1.220 COCCCCCNC1CCCNC1=O 34a_100000747528_100000687798 [0,1,0,1,0,0|2,0,0]=4 21438 B15R1.220 COCCCCCNC1COCCC1=O 34a_100000747528_100012180262 [0,1,0,1,0,0|2,0,0]=4 21439 B15R1.220 COCCCCOCC1CCCCC1=O 34a_100009861125_100000755781 [0,1,0,1,0,0|1,0,0]=3 21440 B15R1.220 COCCCCOCC1CCCCC1=O 7a_100009861125_100000730899 [0,1,0,1,0,0|1,0,0]=3 21441 B15R1.220 COCCCNCCN1CCCCC1=O 2230a_100160573077_100000740836 [0,1,0,1,0,0|2,0,0]=4 21442 B15R1.220 COCCCNCCN1CCCCC1=O 34a_100160573077_100000740836 [0,1,0,1,0,0|2,0,0]=4 21443 B15R1.220 COCCOCCNC1CCCCC1=O 34a_100000745349_100000754470 [0,1,0,1,0,0|2,0,0]=4 21444 B15R1.220 COCCOCCOC1CCCCC1=O 34a_100011214950_100000695917 [0,1,0,1,0,0|2,0,0]=4 21445 B15R1.220 COCCOCCOC1CCCCC1=O 34a_100011215163_100000754470 [0,1,0,1,0,0|2,0,0]=4 21446 B15R1.220 COCCOCCOC1CCCCC1=O 7a_100011215163_100000204591 [0,1,0,1,0,0|2,0,0]=4 21447 B15R1.220 COCCOCCSC1CCCCC1=O 62a_100000204591_100000695917 [0,1,0,1,0,0|2,0,0]=4 21448 B15R1.220 COCCOCCSC1CCCCC1=O 62a_100000695917_100000204591 [0,1,0,1,0,0|2,0,0]=4 21449 B15R1.220 N#CCCCCCSC1CCCCC1=O 62a_100000204591_100009813376 [0,1,0,1,0,0|1,0,1]=4 21450 B15R1.220 N#CCCCCCSC1CCCCC1=O 62a_100009813376_100000204591 [0,1,0,1,0,0|1,0,1]=4 21451 B15R1.220 N#CCCCCOCC1CCCCC1=O 7a_100009861125_100000211819 [0,1,0,1,0,0|1,0,1]=4 21452 B15R1.220 NCCCCCCOC1CCCCC1=O 34a_100000686447_100000754470 [0,1,0,1,0,0|1,0,0]=3 21453 B15R1.220 NCCCCCCOC1CCCNC1=O 34a_100000686447_100000687798 [0,1,0,1,0,0|2,0,0]=4 21454 B15R1.220 NCCCCCCOC1COCCC1=O 34a_100000686447_100012180262 [0,1,0,1,0,0|2,0,0]=4 21455 B15R1.220 O=C1CCCCC1COCCCCCF 34a_100009861125_100000729378 [0,1,0,1,0,0|1,0,0]=3 21456 B15R1.220 O=C1CCCCC1COCCCCCF 7a_100009861125_100000729378 [0,1,0,1,0,0|1,0,0]=3 21457 B15R1.220 O=C1CCCCC1COCCCCCO 34a_100009861125_100000746330 [0,1,0,1,0,0|1,0,0]=3 21458 B15R1.220 O=C1CCCCC1COCCCCCO 7a_100009861125_100000746330 [0,1,0,1,0,0|1,0,0]=3 21459 B15R1.220 O=C1CCCCC1COCCOCCO 34a_100009861125_100000692535 [0,1,0,1,0,0|2,0,0]=4 21460 B15R1.220 O=C1CCCCC1COCCOCCO 7a_100009861125_100011215305 [0,1,0,1,0,0|2,0,0]=4 21461 B15R1.220 O=C1CCCCC1NCCCCCCO 34a_100000686447_100000754470 [0,1,0,1,0,0|1,0,0]=3 21462 B15R1.220 O=C1CCCCC1OCCCCCCBr 34a_100011215345_100000754470 [0,1,0,1,0,0|1,0,0]=3 21463 B15R1.220 O=C1CCCCC1OCCCCCCBr 7a_100011215345_100000204591 [0,1,0,1,0,0|1,0,0]=3 21464 B15R1.220 O=C1CCCCC1OCCCCCCCl 34a_100000766143_100000754470 [0,1,0,1,0,0|1,0,0]=3 21465 B15R1.220 O=C1CCCCC1OCCCCCCCl 7a_100000766143_100000204591 [0,1,0,1,0,0|1,0,0]=3 21466 B15R1.220 O=C1CCCCC1OCCCCCCF 34a_100000732779_100000754470 [0,1,0,1,0,0|1,0,0]=3 21467 B15R1.220 O=C1CCCCC1OCCCCCCF 34a_100011214950_100015922095 [0,1,0,1,0,0|1,0,0]=3 21468 B15R1.220 O=C1CCCCC1OCCCCCCF 7a_100000732779_100000204591 [0,1,0,1,0,0|1,0,0]=3 21469 B15R1.220 O=C1CCCCC1OCCCCCCO 34a_100011214950_100000766143 [0,1,0,1,0,0|1,0,0]=3 21470 B15R1.220 O=C1CCCCC1SCCCCCCF 62a_100000204591_100015922095 [0,1,0,1,0,0|1,0,0]=3 21471 B15R1.220 O=C1CCCCC1SCCCCCCF 62a_100015922095_100000204591 [0,1,0,1,0,0|1,0,0]=3 21472 B15R1.220 O=C1CCCCC1SCCCCCCO 62a_100000204591_100000766143 [0,1,0,1,0,0|1,0,0]=3 21473 B15R1.220 O=C1CCCCC1SCCCCCCO 62a_100000766143_100000204591 [0,1,0,1,0,0|1,0,0]=3 21474 B15R1.220 O=C1CCCCN1CCNCCCCF 2230a_100160573077_100000729493 [0,1,0,1,0,0|2,0,0]=4 21475 B15R1.220 O=C1CCCCN1CCNCCCCF 34a_100160573077_100000729493 [0,1,0,1,0,0|2,0,0]=4 21476 B15R1.220 O=C1CCCCN1CCNCCCCO 2230a_100160573077_100000210776 [0,1,0,1,0,0|2,0,0]=4 21477 B15R1.220 O=C1CCCCN1CCNCCCCO 34a_100160573077_100011216708 [0,1,0,1,0,0|2,0,0]=4 21478 B15R1.220 O=C1CCOCC1NCCCCCCO 34a_100000686447_100012180262 [0,1,0,1,0,0|2,0,0]=4 21479 B15R1.220 O=C1CCOCC1OCCCCCCBr 34a_100011215345_100012180262 [0,1,0,1,0,0|2,0,0]=4 21480 B15R1.220 O=C1CCOCC1OCCCCCCBr 7a_100011215345_100012180262 [0,1,0,1,0,0|2,0,0]=4 21481 B15R1.220 O=C1CCOCC1OCCCCCCCl 34a_100000766143_100012180262 [0,1,0,1,0,0|2,0,0]=4 21482 B15R1.220 O=C1CCOCC1OCCCCCCCl 7a_100000766143_100012180262 [0,1,0,1,0,0|2,0,0]=4 21483 B15R1.220 O=C1CCOCC1OCCCCCCF 34a_100000732779_100012180262 [0,1,0,1,0,0|2,0,0]=4 21484 B15R1.220 O=C1CCOCC1OCCCCCCF 7a_100000732779_100012180262 [0,1,0,1,0,0|2,0,0]=4 21485 B15R1.220 O=C1CCOCC1SCCCCCCF 62a_100012180262_100015922095 [0,1,0,1,0,0|2,0,0]=4 21486 B15R1.220 O=C1CCOCC1SCCCCCCF 62a_100015922095_100012180262 [0,1,0,1,0,0|2,0,0]=4 21487 B15R1.220 O=C1CCOCC1SCCCCCCO 62a_100000766143_100012180262 [0,1,0,1,0,0|2,0,0]=4 21488 B15R1.220 O=C1CCOCC1SCCCCCCO 62a_100012180262_100000766143 [0,1,0,1,0,0|2,0,0]=4 21489 B15R1.220 O=C1NCCCC1NCCCCCCF 2230a_100000747585_100015922095 [0,1,0,1,0,0|2,0,0]=4 21490 B15R1.220 O=C1NCCCC1NCCCCCCF 34a_100000747585_100015922095 [0,1,0,1,0,0|2,0,0]=4 21491 B15R1.220 O=C1NCCCC1NCCCCCCO 2230a_100000686447_100000687798 [0,1,0,1,0,0|2,0,0]=4 21492 B15R1.220 O=C1NCCCC1NCCCCCCO 2230a_100000747585_100000766143 [0,1,0,1,0,0|2,0,0]=4 21493 B15R1.220 O=C1NCCCC1NCCCCCCO 34a_100000686447_100000687798 [0,1,0,1,0,0|2,0,0]=4 21494 B15R1.220 O=C1NCCCC1NCCCCCCO 34a_100000747585_100000766143 [0,1,0,1,0,0|2,0,0]=4 21495 B15R1.220 O=C1NCCCC1OCCCCCCBr 34a_100011215345_100000687798 [0,1,0,1,0,0|2,0,0]=4 21496 B15R1.220 O=C1NCCCC1OCCCCCCBr 7a_100011215345_100000687798 [0,1,0,1,0,0|2,0,0]=4 21497 B15R1.220 O=C1NCCCC1OCCCCCCCl 34a_100000766143_100000687798 [0,1,0,1,0,0|2,0,0]=4 21498 B15R1.220 O=C1NCCCC1OCCCCCCCl 7a_100000766143_100000687798 [0,1,0,1,0,0|2,0,0]=4 21499 B15R1.220 O=C1NCCCC1OCCCCCCF 34a_100000073722_100015922095 [0,1,0,1,0,0|2,0,0]=4 21500 B15R1.220 O=C1NCCCC1OCCCCCCF 34a_100000732779_100000687798 [0,1,0,1,0,0|2,0,0]=4 21501 B15R1.220 O=C1NCCCC1OCCCCCCF 7a_100000732779_100000687798 [0,1,0,1,0,0|2,0,0]=4 21502 B15R1.220 O=C1NCCCC1OCCCCCCO 34a_100000073722_100000766143 [0,1,0,1,0,0|2,0,0]=4 21503 B15R1.220 O=C1NCCCC1SCCCCCCF 62a_100000687798_100015922095 [0,1,0,1,0,0|2,0,0]=4 21504 B15R1.220 O=C1NCCCC1SCCCCCCF 62a_100015922095_100000687798 [0,1,0,1,0,0|2,0,0]=4 21505 B15R1.220 O=C1NCCCC1SCCCCCCO 62a_100000687798_100000766143 [0,1,0,1,0,0|2,0,0]=4 21506 B15R1.220 O=C1NCCCC1SCCCCCCO 62a_100000766143_100000687798 [0,1,0,1,0,0|2,0,0]=4 21507 B15R1.220 O=CCCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000139337 [0,1,0,1,0,0|1,0,0]=3 21508 B15R1.220 O=CCCCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000139337 [0,1,0,1,0,0|2,0,0]=4 21509 B15R1.220 O=CCCCCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000139337 [0,1,0,1,0,0|2,0,0]=4 21510 B15R1.220 O=CCCCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000139337 [0,1,0,1,0,0|2,0,0]=4 21511 B15R1.220 O=CCCCCCOC1CCCCC1Cl 7a_100000038908_100000139337 [0,1,0,1,0,0|1,0,0]=3 21512 B15R1.220 O=CCCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000139337 [0,1,0,1,0,0|1,0,0]=3 21513 B15R1.220 O=CCCCCCSC1CCCCC1=O 62a_100000139337_100000204591 [0,1,0,1,0,0|1,0,1]=4 21514 B15R1.220 O=CCCCCCSC1CCCCC1=O 62a_100000204591_100000139337 [0,1,0,1,0,0|1,0,1]=4 21515 B15R1.220 O=CCCCCCSC1CCCCC1F 62a_100000139337_100015423560 [0,1,0,1,0,0|1,0,0]=3 21516 B15R1.220 O=CCCCCCSC1CCCCC1F 62a_100015423560_100000139337 [0,1,0,1,0,0|1,0,0]=3 21517 B15R1.220 O=CCCCCCSC1CCCCC1O 62a_100000038908_100000139337 [0,1,0,1,0,0|1,0,0]=3 21518 B15R1.220 O=CCCCCCSC1CCCCC1O 62a_100000139337_100000038908 [0,1,0,1,0,0|1,0,0]=3 21519 B15R1.220 O=CCCCCOCC1CCCCC1=O 7a_100009861125_100000139335 [0,1,0,1,0,0|1,0,1]=4 21520 B15R1.242 C#CCCCCN1CCCCC1CCC 2230a_100000701414_100010269958 [0,1,0,1,0,0|1,0,1]=4 21521 B15R1.242 C#CCCCCN1CCCCC1CCC 269982a_100000701414_100010269958 [0,1,0,1,0,0|1,0,1]=4 21522 B15R1.242 C#CCCCCN1CCCCC1CCC 34a_100000701414_100010269958 [0,1,0,1,0,0|1,0,1]=4 21523 B15R1.242 C#CCCCNC1CCCCC1CCC 270004a_100000718082_100011218038 [0,1,0,1,0,0|1,0,1]=4 21524 B15R1.242 C#CCCCOC1CCCCC1CCC 34a_100011217265_100000695029 [0,1,0,1,0,0|1,0,1]=4 21525 B15R1.242 C#CCCCOC1CCCCC1CCC 7a_100011217265_100011215417 [0,1,0,1,0,0|1,0,1]=4 21526 B15R1.242 C=CCC1CCCCC1NCCCCC 269862a_100000209983_100011214939 [0,1,0,1,0,0|1,0,0]=3 21527 B15R1.242 C=CCC1CCCCC1NCCCCC 270004a_100000209983_100011214939 [0,1,0,1,0,0|1,0,0]=3 21528 B15R1.242 C=CCC1CCCCC1NCCCCO 269862a_100000750430_100011214939 [0,1,0,1,0,0|2,0,0]=4 21529 B15R1.242 C=CCC1CCCCC1NCCCCO 270004a_100000750430_100011214939 [0,1,0,1,0,0|2,0,0]=4 21530 B15R1.242 C=CCC1CCCCC1NCCCOC 269862a_100150723488_100011214939 [0,1,0,1,0,0|2,0,0]=4 21531 B15R1.242 C=CCC1CCCCC1NCCCOC 270004a_100150723488_100011214939 [0,1,0,1,0,0|2,0,0]=4 21532 B15R1.242 C=CCC1CCCCC1NCCCSC 269862a_100000749238_100011214939 [0,1,0,1,0,0|2,0,0]=4 21533 B15R1.242 C=CCC1CCCCC1NCCCSC 270004a_100000749238_100011214939 [0,1,0,1,0,0|2,0,0]=4 21534 B15R1.242 C=CCC1CCCCC1NCCOCC 269862a_100011200944_100011214939 [0,1,0,1,0,0|2,0,0]=4 21535 B15R1.242 C=CCC1CCCCC1NCCOCC 270004a_102516460346_100011214939 [0,1,0,1,0,0|2,0,0]=4 21536 B15R1.242 C=CCC1CCCCC1NCCSCC 269862a_100000106463_100011214939 [0,1,0,1,0,0|2,0,0]=4 21537 B15R1.242 C=CCC1CCCCC1NCCSCC 270004a_100000106463_100011214939 [0,1,0,1,0,0|2,0,0]=4 21538 B15R1.242 C=CCCCCN1CCCCC1CCC 2230a_100000701414_100011215482 [0,1,0,1,0,0|1,0,0]=3 21539 B15R1.242 C=CCCCCN1CCCCC1CCC 269982a_100000701414_100011215482 [0,1,0,1,0,0|1,0,0]=3 21540 B15R1.242 C=CCCCCN1CCCCC1CCC 34a_100000701414_100011215482 [0,1,0,1,0,0|1,0,0]=3 21541 B15R1.242 C=CCCCCN1CCCCC1CCO 2230a_100000211664_100011215482 [0,1,0,1,0,0|2,0,0]=4 21542 B15R1.242 C=CCCCCN1CCCCC1CCO 269982a_100000211664_100011215482 [0,1,0,1,0,0|2,0,0]=4 21543 B15R1.242 C=CCCCCN1CCCCC1CCO 34a_100000211664_100011215482 [0,1,0,1,0,0|2,0,0]=4 21544 B15R1.242 C=CCCCCN1CCCCC1COC 2230a_100015184032_100011215482 [0,1,0,1,0,0|2,0,0]=4 21545 B15R1.242 C=CCCCCN1CCCCC1COC 269982a_100015184032_100011215482 [0,1,0,1,0,0|2,0,0]=4 21546 B15R1.242 C=CCCCCN1CCCCC1COC 34a_100015184032_100011215482 [0,1,0,1,0,0|2,0,0]=4 21547 B15R1.242 C=CCCCCN1CCOCC1CCC 2230a_102495339903_100011215482 [0,1,0,1,0,0|2,0,0]=4 21548 B15R1.242 C=CCCCCN1CCOCC1CCC 269982a_102495339903_100011215482 [0,1,0,1,0,0|2,0,0]=4 21549 B15R1.242 C=CCCCCN1CCOCC1CCC 34a_102495339903_100011215482 [0,1,0,1,0,0|2,0,0]=4 21550 B15R1.242 C=CCCCNC1CCCCC1CCC 269862a_100000700776_100011218038 [0,1,0,1,0,0|1,0,0]=3 21551 B15R1.242 C=CCCCNC1CCCCC1CCC 270004a_100000700776_100011218038 [0,1,0,1,0,0|1,0,0]=3 21552 B15R1.242 C=CCCCNC1CCCCC1OCC 270004a_100000700776_200000031474 [0,1,0,1,0,0|2,0,0]=4 21553 B15R1.242 C=CCCCOC1CCCCC1CCC 34a_100011217265_100000757094 [0,1,0,1,0,0|1,0,0]=3 21554 B15R1.242 C=CCCCOC1CCCCC1CCC 7a_100011217265_100000757094 [0,1,0,1,0,0|1,0,0]=3 21555 B15R1.242 C=COCCOC1CCCCC1CCC 34a_100011217265_100000039644 [0,1,0,1,0,0|2,0,0]=4 21556 B15R1.242 C=COCCOC1CCCCC1CCC 7a_100011217265_100000039644 [0,1,0,1,0,0|2,0,0]=4 21557 B15R1.242 CCCC1CCCCC1NCCCCO 269862a_100000750430_100011218038 [0,1,0,1,0,0|0,0,2]=4 21558 B15R1.242 CCCC1CCCCC1NCCCCO 270004a_100000750430_100011218038 [0,1,0,1,0,0|0,0,2]=4 21559 B15R1.242 CCCC1CCCCC1NCCCOC 269862a_100150723488_100011218038 [0,1,0,1,0,0|2,0,0]=4 21560 B15R1.242 CCCC1CCCCC1NCCCOC 270004a_100150723488_100011218038 [0,1,0,1,0,0|2,0,0]=4 21561 B15R1.242 CCCC1CCCCC1NCCCSC 269862a_100000749238_100011218038 [0,1,0,1,0,0|2,0,0]=4 21562 B15R1.242 CCCC1CCCCC1NCCCSC 270004a_100000749238_100011218038 [0,1,0,1,0,0|2,0,0]=4 21563 B15R1.242 CCCC1CCCCC1OCCCC#N 7a_100011217265_100000687738 [0,1,0,1,0,0|1,0,1]=4 21564 B15R1.242 CCCC1CCCCC1OCCCC=O 7a_100011217265_200011292268 [0,1,0,1,0,0|0,0,0]=2 21565 B15R1.242 CCCC1CCCCC1OCCCCF 34a_100011217265_100000729493 [0,1,0,1,0,0|1,0,1]=4 21566 B15R1.242 CCCC1CCCCC1OCCCCF 7a_100011217265_100000729493 [0,1,0,1,0,0|1,0,1]=4 21567 B15R1.242 CCCC1CCCCC1OCCCCO 34a_100011217265_100011216708 [0,1,0,1,0,0|0,0,2]=4 21568 B15R1.242 CCCC1CCCCC1OCCCCO 7a_100011217265_100000210776 [0,1,0,1,0,0|0,0,2]=4 21569 B15R1.242 CCCC1CCCCC1OCCCOC 34a_100011217265_100000740836 [0,1,0,1,0,0|2,0,0]=4 21570 B15R1.242 CCCC1CCCCC1OCCCOC 7a_100011217265_100000740836 [0,1,0,1,0,0|2,0,0]=4 21571 B15R1.242 CCCC1CCCCN1CCCCC#N 2230a_100000701414_100000211819 [0,1,0,1,0,0|1,0,1]=4 21572 B15R1.242 CCCC1CCCCN1CCCCC#N 269982a_100000701414_100011219923 [0,1,0,1,0,0|1,0,1]=4 21573 B15R1.242 CCCC1CCCCN1CCCCC=O 2230a_100000701414_100000139335 [0,1,0,1,0,0|0,0,0]=2 21574 B15R1.242 CCCC1CCCCN1CCCCC=O 269982a_100000701414_100000139335 [0,1,0,1,0,0|0,0,0]=2 21575 B15R1.242 CCCC1CCCCN1CCCCCF 2230a_100000701414_100000729378 [0,1,0,1,0,0|1,0,1]=4 21576 B15R1.242 CCCC1CCCCN1CCCCCF 269982a_100000701414_100000729378 [0,1,0,1,0,0|1,0,1]=4 21577 B15R1.242 CCCC1CCCCN1CCCCCF 34a_100000701414_100000729378 [0,1,0,1,0,0|1,0,1]=4 21578 B15R1.242 CCCC1CCCCN1CCCCCO 2230a_100000701414_100000746330 [0,1,0,1,0,0|0,0,2]=4 21579 B15R1.242 CCCC1CCCCN1CCCCCO 269982a_100000701414_100000746330 [0,1,0,1,0,0|0,0,2]=4 21580 B15R1.242 CCCC1CCCCN1CCCCCO 34a_100000701414_100000746330 [0,1,0,1,0,0|0,0,2]=4 21581 B15R1.242 CCCC1CCCCN1CCCCOC 2230a_100000701414_100000730899 [0,1,0,1,0,0|2,0,0]=4 21582 B15R1.242 CCCC1CCCCN1CCCCOC 269982a_100000701414_100000730899 [0,1,0,1,0,0|2,0,0]=4 21583 B15R1.242 CCCC1CCCCN1CCCCOC 34a_100000701414_100000755781 [0,1,0,1,0,0|2,0,0]=4 21584 B15R1.242 CCCC1COCCN1CCCCC=O 2230a_102495339903_100000139335 [0,1,0,1,0,0|1,0,0]=3 21585 B15R1.242 CCCC1COCCN1CCCCC=O 269982a_102495339903_100000139335 [0,1,0,1,0,0|1,0,0]=3 21586 B15R1.242 CCCCCCN1CCCCC1CC#N 2230a_100000133382_100000210314 [0,1,0,1,0,0|1,0,1]=4 21587 B15R1.242 CCCCCCN1CCCCC1CC#N 34a_100000133382_100000210314 [0,1,0,1,0,0|1,0,1]=4 21588 B15R1.242 CCCCCCN1CCCCC1CCC 2230a_100000701414_100000210314 [0,1,0,1,0,0|1,0,1]=4 21589 B15R1.242 CCCCCCN1CCCCC1CCC 269982a_100000701414_100000210757 [0,1,0,1,0,0|1,0,1]=4 21590 B15R1.242 CCCCCCN1CCCCC1CCC 34a_100000701414_100000210314 [0,1,0,1,0,0|1,0,1]=4 21591 B15R1.242 CCCCCCN1CCCCC1CCO 2230a_100000211664_100000210314 [0,1,0,1,0,0|0,0,2]=4 21592 B15R1.242 CCCCCCN1CCCCC1CCO 269982a_100000211664_100000210757 [0,1,0,1,0,0|0,0,2]=4 21593 B15R1.242 CCCCCCN1CCCCC1CCO 34a_100000211664_100000210314 [0,1,0,1,0,0|0,0,2]=4 21594 B15R1.242 CCCCCCN1CCCCC1COC 2230a_100015184032_100000210314 [0,1,0,1,0,0|2,0,0]=4 21595 B15R1.242 CCCCCCN1CCCCC1COC 269982a_100015184032_100000210757 [0,1,0,1,0,0|2,0,0]=4 21596 B15R1.242 CCCCCCN1CCCCC1COC 34a_100015184032_100000210314 [0,1,0,1,0,0|2,0,0]=4 21597 B15R1.242 CCCCCNC1CCCCC1CC#N 270004a_100000209983_100009866218 [0,1,0,1,0,0|1,0,1]=4 21598 B15R1.242 CCCCCNC1CCCCC1CCC 269862a_100000209983_100011218038 [0,1,0,1,0,0|1,0,1]=4 21599 B15R1.242 CCCCCNC1CCCCC1CCC 270004a_100000209983_100011218038 [0,1,0,1,0,0|1,0,1]=4 21600 B15R1.242 CCCCCOC1CCCCC1CCC 34a_100011217265_100000718602 [0,1,0,1,0,0|1,0,1]=4 21601 B15R1.242 CCCCCOC1CCCCC1CCC 7a_100011217265_100000210326 [0,1,0,1,0,0|1,0,1]=4 21602 B15R1.242 COCC1CCCCN1CCCCC=O 2230a_100015184032_100000139335 [0,1,0,1,0,0|1,0,0]=3 21603 B15R1.242 COCC1CCCCN1CCCCC=O 269982a_100015184032_100000139335 [0,1,0,1,0,0|1,0,0]=3 21604 B15R1.242 COC[C@H]1COCCN1CCCCC=O 2230a_100016989928_100000139335 [0,1,0,1,0,0|2,0,0]=4 21605 B15R1.242 COC[C@H]1COCCN1CCCCC=O 269982a_100016989928_100000139335 [0,1,0,1,0,0|2,0,0]=4 21606 B15R1.242 N#CCC1CCCCN1CCCCC=O 2230a_100000133382_100000139335 [0,1,0,1,0,0|1,0,1]=4 21607 B15R1.242 O=CCCCCN1CCCCC1CCO 2230a_100000211664_100000139335 [0,1,0,1,0,0|1,0,0]=3 21608 B15R1.242 O=CCCCCN1CCCCC1CCO 269982a_100000211664_100000139335 [0,1,0,1,0,0|1,0,0]=3 21609 B15R1.249 C#CCCCNC1CCCC1CCCC 270004a_100000718082_100000750825 [0,1,0,1,0,0|1,0,1]=4 21610 B15R1.249 C=CCCCNC1CCCC1CCCC 269862a_100000700776_100000750825 [0,1,0,1,0,0|1,0,0]=3 21611 B15R1.249 C=CCCCNC1CCCC1CCCC 270004a_100000700776_100000750825 [0,1,0,1,0,0|1,0,0]=3 21612 B15R1.249 C=CCNC1CCCC1CCCCCC 270004a_100020586998_100000189428 [0,1,0,1,0,0|1,0,0]=3 21613 B15R1.249 CCCCC1C=CCN1CCCCC=O 2230a_100015184376_100000139335 [0,1,0,1,0,0|0,0,2]=4 21614 B15R1.249 CCCCC1C=CCN1CCCCC=O 269982a_100015184376_100000139335 [0,1,0,1,0,0|0,0,2]=4 21615 B15R1.249 CCCCC1CCCC1NCCCCO 269862a_100000750430_100000750825 [0,1,0,1,0,0|0,0,2]=4 21616 B15R1.249 CCCCC1CCCC1NCCCCO 270004a_100000750430_100000750825 [0,1,0,1,0,0|0,0,2]=4 21617 B15R1.249 CCCCC1CCCC1NCCCOC 269862a_100150723488_100000750825 [0,1,0,1,0,0|2,0,0]=4 21618 B15R1.249 CCCCC1CCCC1NCCCOC 270004a_100150723488_100000750825 [0,1,0,1,0,0|2,0,0]=4 21619 B15R1.249 CCCCC1CCCC1NCCCSC 269862a_100000749238_100000750825 [0,1,0,1,0,0|2,0,0]=4 21620 B15R1.249 CCCCC1CCCC1NCCCSC 270004a_100000749238_100000750825 [0,1,0,1,0,0|2,0,0]=4 21621 B15R1.249 CCCCCCC1CCCC1NCCC 269862a_100020643023_100000189428 [0,1,0,1,0,0|1,0,1]=4 21622 B15R1.249 CCCCCCC1CCCC1NCCC 270004a_100020643023_100000189428 [0,1,0,1,0,0|1,0,1]=4 21623 B15R1.249 CCCCCCC1CCCC1NCCF 269862a_100000724931_100000189428 [0,1,0,1,0,0|1,0,1]=4 21624 B15R1.249 CCCCCCC1CCCC1NCCO 269862a_100000210304_100000189428 [0,1,0,1,0,0|0,0,2]=4 21625 B15R1.249 CCCCCCC1CCCC1NCCO 270004a_100000210304_100000189428 [0,1,0,1,0,0|0,0,2]=4 21626 B15R1.249 CCCCCNC1CCCC1CCC#N 270004a_100000209983_100000073560 [0,1,0,1,0,0|1,0,1]=4 21627 B15R1.249 CCCCCNC1CCCC1CCCC 269862a_100000209983_100000750825 [0,1,0,1,0,0|1,0,1]=4 21628 B15R1.249 CCCCCNC1CCCC1CCCC 270004a_100000209983_100000750825 [0,1,0,1,0,0|1,0,1]=4 21629 B15R1.528 BrCCCCCCCCOC1CCCC1 34a_100009813846_100000179811 [0,1,0,1,0,0|1,0,1]=4 21630 B15R1.528 BrCCCCCCCCOC1CCCC1 7a_100009813846_100000179811 [0,1,0,1,0,0|1,0,1]=4 21631 B15R1.528 BrCCCCCCCOCC1CCCC1 34a_100000760002_100000740388 [0,1,0,1,0,0|1,0,1]=4 21632 B15R1.528 BrCCCCCCCOCC1CCCC1 7a_100000760002_100000740388 [0,1,0,1,0,0|1,0,1]=4 21633 B15R1.528 BrCCCCCCOCCC1CCCC1 34a_100011215345_100000760354 [0,1,0,1,0,0|1,0,1]=4 21634 B15R1.528 BrCCCCCCOCCC1CCCC1 7a_100011215345_100000760354 [0,1,0,1,0,0|1,0,1]=4 21635 B15R1.528 BrCCCCCOCCCC1CCCC1 34a_100000746331_100011713738 [0,1,0,1,0,0|1,0,1]=4 21636 B15R1.528 BrCCCCCOCCCC1CCCC1 7a_100000746331_100011713738 [0,1,0,1,0,0|1,0,1]=4 21637 B15R1.528 C#CCCCCCCCNC1CCCC1 2230a_100000211070_100153394163 [0,1,0,1,0,0|1,0,1]=4 21638 B15R1.528 C#CCCCCCCCNC1CCCC1 34a_100000211070_100153394163 [0,1,0,1,0,0|1,0,1]=4 21639 B15R1.528 C#CCCCCCCCOC1CCCC1 34a_100000054614_100000179811 [0,1,0,1,0,0|1,0,1]=4 21640 B15R1.528 C#CCCCCCCCOC1CCCC1 34a_100000210269_100153394163 [0,1,0,1,0,0|1,0,1]=4 21641 B15R1.528 C#CCCCCCCCOC1CCCC1 7a_100000054614_100000179811 [0,1,0,1,0,0|1,0,1]=4 21642 B15R1.528 C#CCCCCCCCOC1CCCC1 7a_100000210269_100153394163 [0,1,0,1,0,0|1,0,1]=4 21643 B15R1.528 C#CCCCCCCCSC1CCCC1 62a_100011217020_100153394163 [0,1,0,1,0,0|1,0,1]=4 21644 B15R1.528 C#CCCCCCCCSC1CCCC1 62a_100153394163_100000179811 [0,1,0,1,0,0|1,0,1]=4 21645 B15R1.528 C#CCCCCCCNCC1CCCC1 2230a_100000737975_100012276617 [0,1,0,1,0,0|1,0,1]=4 21646 B15R1.528 C#CCCCCCCNCC1CCCC1 34a_100000737975_100012276617 [0,1,0,1,0,0|1,0,1]=4 21647 B15R1.528 C#CCCCCCCOCC1CCCC1 34a_100000742336_100012276617 [0,1,0,1,0,0|1,0,1]=4 21648 B15R1.528 C#CCCCCCCOCC1CCCC1 34a_100011217361_100000740388 [0,1,0,1,0,0|1,0,1]=4 21649 B15R1.528 C#CCCCCCCOCC1CCCC1 7a_100000742336_100012276617 [0,1,0,1,0,0|1,0,1]=4 21650 B15R1.528 C#CCCCCCCOCC1CCCC1 7a_100011217361_100000740388 [0,1,0,1,0,0|1,0,1]=4 21651 B15R1.528 C#CCCCCCCSCC1CCCC1 62a_100000740388_100012276617 [0,1,0,1,0,0|1,0,1]=4 21652 B15R1.528 C#CCCCCCCSCC1CCCC1 62a_100012276617_100000740388 [0,1,0,1,0,0|1,0,1]=4 21653 B15R1.528 C#CCCCCCNCCC1CCCC1 2230a_100000739158_100012094781 [0,1,0,1,0,0|1,0,1]=4 21654 B15R1.528 C#CCCCCCNCCC1CCCC1 34a_100000739158_100012094781 [0,1,0,1,0,0|1,0,1]=4 21655 B15R1.528 C#CCCCCCOCCC1CCCC1 34a_100000749090_100012094781 [0,1,0,1,0,0|1,0,1]=4 21656 B15R1.528 C#CCCCCCOCCC1CCCC1 34a_100000766912_100000760354 [0,1,0,1,0,0|1,0,1]=4 21657 B15R1.528 C#CCCCCCOCCC1CCCC1 7a_100000749090_100012094781 [0,1,0,1,0,0|1,0,1]=4 21658 B15R1.528 C#CCCCCCOCCC1CCCC1 7a_100000766912_100000760354 [0,1,0,1,0,0|1,0,1]=4 21659 B15R1.528 C#CCCCCCSCCC1CCCC1 62a_100000760354_100012094781 [0,1,0,1,0,0|1,0,1]=4 21660 B15R1.528 C#CCCCCCSCCC1CCCC1 62a_100012094781_100000760354 [0,1,0,1,0,0|1,0,1]=4 21661 B15R1.528 C#CCCCCNCCCC1CCCC1 2230a_100000706060_100011713738 [0,1,0,1,0,0|1,0,1]=4 21662 B15R1.528 C#CCCCCNCCCC1CCCC1 2230a_100000736752_100010269958 [0,1,0,1,0,0|1,0,1]=4 21663 B15R1.528 C#CCCCCNCCCC1CCCC1 34a_100000706060_100011713738 [0,1,0,1,0,0|1,0,1]=4 21664 B15R1.528 C#CCCCCNCCCC1CCCC1 34a_100000736752_100010269958 [0,1,0,1,0,0|1,0,1]=4 21665 B15R1.528 C#CCCCCOCCCC1CCCC1 34a_100000766709_100011713738 [0,1,0,1,0,0|1,0,1]=4 21666 B15R1.528 C#CCCCCOCCCC1CCCC1 34a_100011215328_100010269958 [0,1,0,1,0,0|1,0,1]=4 21667 B15R1.528 C#CCCCCOCCCC1CCCC1 7a_100000766709_100011713738 [0,1,0,1,0,0|1,0,1]=4 21668 B15R1.528 C#CCCCCOCCCC1CCCC1 7a_100011215328_100010269958 [0,1,0,1,0,0|1,0,1]=4 21669 B15R1.528 C#CCCCCSCCCC1CCCC1 62a_100010269958_100011713738 [0,1,0,1,0,0|1,0,1]=4 21670 B15R1.528 C#CCCCCSCCCC1CCCC1 62a_100011713738_100010269958 [0,1,0,1,0,0|1,0,1]=4 21671 B15R1.528 C=CCCCCCCCCN1CCCC1 2230a_100000188435_100011933949 [0,1,0,1,0,0|1,0,0]=3 21672 B15R1.528 C=CCCCCCCCCN1CCCC1 269982a_100000188435_100011933949 [0,1,0,1,0,0|1,0,0]=3 21673 B15R1.528 C=CCCCCCCCCN1CCSC1 2230a_100011215254_100011933949 [0,1,0,1,0,0|2,0,0]=4 21674 B15R1.528 C=CCCCCCCCCN1CCSC1 269982a_100011215254_100011933949 [0,1,0,1,0,0|2,0,0]=4 21675 B15R1.528 C=CCCCCCCCNC1CCCC1 2230a_100000211070_100012355270 [0,1,0,1,0,0|1,0,0]=3 21676 B15R1.528 C=CCCCCCCCNC1CCCC1 34a_100000211070_100012355270 [0,1,0,1,0,0|1,0,0]=3 21677 B15R1.528 C=CCCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100012355270 [0,1,0,1,0,0|2,0,0]=4 21678 B15R1.528 C=CCCCCCCCN[C@H]1CCOC1 2230a_100015188467_100012355270 [0,1,0,1,0,0|2,0,0]=4 21679 B15R1.528 C=CCCCCCCCN[C@H]1CCOC1 34a_100015188467_100012355270 [0,1,0,1,0,0|2,0,0]=4 21680 B15R1.528 C=CCCCCCCCOC1CCCC1 34a_100000210269_100012355270 [0,1,0,1,0,0|1,0,0]=3 21681 B15R1.528 C=CCCCCCCCOC1CCCC1 34a_100000730831_100000179811 [0,1,0,1,0,0|1,0,0]=3 21682 B15R1.528 C=CCCCCCCCOC1CCCC1 7a_100000210269_100012355270 [0,1,0,1,0,0|1,0,0]=3 21683 B15R1.528 C=CCCCCCCCOC1CCCC1 7a_100000730831_100000179811 [0,1,0,1,0,0|1,0,0]=3 21684 B15R1.528 C=CCCCCCCCOC1CCCO1 34a_100000085407_100012355270 [0,1,0,1,0,0|2,0,0]=4 21685 B15R1.528 C=CCCCCCCCOC1CCOC1 34a_100000730831_100000690089 [0,1,0,1,0,0|2,0,0]=4 21686 B15R1.528 C=CCCCCCCCOC1CCOC1 7a_100000730831_100000731011 [0,1,0,1,0,0|2,0,0]=4 21687 B15R1.528 C=CCCCCCCCOC1CCSC1 7a_100011232664_100012355270 [0,1,0,1,0,0|2,0,0]=4 21688 B15R1.528 C=CCCCCCCCO[C@H]1CCOC1 34a_100000717292_100012355270 [0,1,0,1,0,0|2,0,0]=4 21689 B15R1.528 C=CCCCCCCCSC1CCCC1 62a_100011217020_100012355270 [0,1,0,1,0,0|1,0,0]=3 21690 B15R1.528 C=CCCCCCCCSC1CCCC1 62a_100012355270_100000179811 [0,1,0,1,0,0|1,0,0]=3 21691 B15R1.528 C=CCCCCCCCSC1CCOC1 62a_100012355270_100000690089 [0,1,0,1,0,0|2,0,0]=4 21692 B15R1.528 C=CCCCCCCNCC1CCCC1 2230a_100000737975_100011215473 [0,1,0,1,0,0|1,0,0]=3 21693 B15R1.528 C=CCCCCCCNCC1CCCC1 34a_100000737975_100011215473 [0,1,0,1,0,0|1,0,0]=3 21694 B15R1.528 C=CCCCCCCNCC1CCOC1 2230a_100000737293_100011215473 [0,1,0,1,0,0|2,0,0]=4 21695 B15R1.528 C=CCCCCCCNCC1CCOC1 34a_100000737293_100011215473 [0,1,0,1,0,0|2,0,0]=4 21696 B15R1.528 C=CCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100011215473 [0,1,0,1,0,0|2,0,0]=4 21697 B15R1.528 C=CCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100011215473 [0,1,0,1,0,0|2,0,0]=4 21698 B15R1.528 C=CCCCCCCOCC1CCCC1 34a_100000742336_100011215473 [0,1,0,1,0,0|1,0,0]=3 21699 B15R1.528 C=CCCCCCCOCC1CCCC1 34a_200011216477_100000740388 [0,1,0,1,0,0|1,0,0]=3 21700 B15R1.528 C=CCCCCCCOCC1CCCC1 7a_100000742336_100011215473 [0,1,0,1,0,0|1,0,0]=3 21701 B15R1.528 C=CCCCCCCOCC1CCCC1 7a_200011216477_100000740388 [0,1,0,1,0,0|1,0,0]=3 21702 B15R1.528 C=CCCCCCCOCC1CCCO1 34a_100000210270_100011215473 [0,1,0,1,0,0|2,0,0]=4 21703 B15R1.528 C=CCCCCCCOCC1CCCO1 7a_100000210270_100011215473 [0,1,0,1,0,0|2,0,0]=4 21704 B15R1.528 C=CCCCCCCOCC1CCCO1 7a_200011216477_100000203698 [0,1,0,1,0,0|2,0,0]=4 21705 B15R1.528 C=CCCCCCCOCC1CCNC1 34a_100000748654_100011215473 [0,1,0,1,0,0|2,0,0]=4 21706 B15R1.528 C=CCCCCCCOCC1CCOC1 34a_100000740260_100011215473 [0,1,0,1,0,0|2,0,0]=4 21707 B15R1.528 C=CCCCCCCOCC1CCOC1 34a_200011216477_100011261433 [0,1,0,1,0,0|2,0,0]=4 21708 B15R1.528 C=CCCCCCCOCC1CCOC1 7a_200011216477_100000702531 [0,1,0,1,0,0|2,0,0]=4 21709 B15R1.528 C=CCCCCCCOC[C@H]1CCCN1 34a_100000745186_100011215473 [0,1,0,1,0,0|2,0,0]=4 21710 B15R1.528 C=CCCCCCCSCC1CCCC1 62a_100000740388_100011215473 [0,1,0,1,0,0|1,0,0]=3 21711 B15R1.528 C=CCCCCCCSCC1CCCC1 62a_100011215473_100000740388 [0,1,0,1,0,0|1,0,0]=3 21712 B15R1.528 C=CCCCCCCSCC1CCCO1 62a_100000203698_100011215473 [0,1,0,1,0,0|2,0,0]=4 21713 B15R1.528 C=CCCCCCCSCC1CCCO1 62a_100011215473_100000203698 [0,1,0,1,0,0|2,0,0]=4 21714 B15R1.528 C=CCCCCCCSCC1CCOC1 62a_100000702531_100011215473 [0,1,0,1,0,0|2,0,0]=4 21715 B15R1.528 C=CCCCCCCSCC1CCOC1 62a_100011215473_100000702531 [0,1,0,1,0,0|2,0,0]=4 21716 B15R1.528 C=CCCCCCNCCC1CCCC1 2230a_100000739158_100000700193 [0,1,0,1,0,0|1,0,0]=3 21717 B15R1.528 C=CCCCCCNCCC1CCCC1 34a_100000739158_100000700193 [0,1,0,1,0,0|1,0,0]=3 21718 B15R1.528 C=CCCCCCOCCC1CCCC1 34a_100000749090_100000700193 [0,1,0,1,0,0|1,0,0]=3 21719 B15R1.528 C=CCCCCCOCCC1CCCC1 34a_100011216702_100000760354 [0,1,0,1,0,0|1,0,0]=3 21720 B15R1.528 C=CCCCCCOCCC1CCCC1 7a_100000749090_100000700193 [0,1,0,1,0,0|1,0,0]=3 21721 B15R1.528 C=CCCCCCOCCC1CCCC1 7a_100011216702_100000760354 [0,1,0,1,0,0|1,0,0]=3 21722 B15R1.528 C=CCCCCCOCCC1CCNC1 34a_100016987287_100000700193 [0,1,0,1,0,0|2,0,0]=4 21723 B15R1.528 C=CCCCCCOCCC1CCOC1 34a_100011879284_100000700193 [0,1,0,1,0,0|2,0,0]=4 21724 B15R1.528 C=CCCCCCOCCN1CCCC1 7a_100011216702_100000004467 [0,1,0,1,0,0|2,0,0]=4 21725 B15R1.528 C=CCCCCCSCCC1CCCC1 62a_100000700193_100000760354 [0,1,0,1,0,0|1,0,0]=3 21726 B15R1.528 C=CCCCCCSCCC1CCCC1 62a_100000760354_100000700193 [0,1,0,1,0,0|1,0,0]=3 21727 B15R1.528 C=CCCCCCSCCN1CCCC1 62a_100000700193_100000004467 [0,1,0,1,0,0|2,0,0]=4 21728 B15R1.528 C=CCCCCCSCCN1CCCC1 62a_100000700749_100000700193 [0,1,0,1,0,0|2,0,0]=4 21729 B15R1.528 C=CCCCCNCCCC1CCCC1 2230a_100000703577_100011713738 [0,1,0,1,0,0|1,0,0]=3 21730 B15R1.528 C=CCCCCNCCCC1CCCC1 2230a_100000736752_100011215482 [0,1,0,1,0,0|1,0,0]=3 21731 B15R1.528 C=CCCCCNCCCC1CCCC1 34a_100000703577_100011713738 [0,1,0,1,0,0|1,0,0]=3 21732 B15R1.528 C=CCCCCNCCCC1CCCC1 34a_100000736752_100011215482 [0,1,0,1,0,0|1,0,0]=3 21733 B15R1.528 C=CCCCCNCCCN1CCCC1 2230a_100000703577_100011445909 [0,1,0,1,0,0|2,0,0]=4 21734 B15R1.528 C=CCCCCNCCCN1CCCC1 34a_100000703577_100016991639 [0,1,0,1,0,0|2,0,0]=4 21735 B15R1.528 C=CCCCCNCCOC1CCCC1 34a_100000741755_100011215482 [0,1,0,1,0,0|2,0,0]=4 21736 B15R1.528 C=CCCCCOCCCC1CCCC1 34a_100000766645_100011713738 [0,1,0,1,0,0|1,0,0]=3 21737 B15R1.528 C=CCCCCOCCCC1CCCC1 34a_100011215328_100011215482 [0,1,0,1,0,0|1,0,0]=3 21738 B15R1.528 C=CCCCCOCCCC1CCCC1 7a_100000766645_100011713738 [0,1,0,1,0,0|1,0,0]=3 21739 B15R1.528 C=CCCCCOCCCC1CCCC1 7a_100011215328_100011215482 [0,1,0,1,0,0|1,0,0]=3 21740 B15R1.528 C=CCCCCOCCCN1CCCC1 34a_100000766645_100016991639 [0,1,0,1,0,0|2,0,0]=4 21741 B15R1.528 C=CCCCCOCCCN1CCCC1 7a_100000766645_100011445909 [0,1,0,1,0,0|2,0,0]=4 21742 B15R1.528 C=CCCCCOCCNC1CCCC1 34a_200000200444_100011215482 [0,1,0,1,0,0|2,0,0]=4 21743 B15R1.528 C=CCCCCOCCOC1CCCC1 34a_100000738311_100011215482 [0,1,0,1,0,0|2,0,0]=4 21744 B15R1.528 C=CCCCCOCCOC1CCCC1 7a_100000738311_100011215482 [0,1,0,1,0,0|2,0,0]=4 21745 B15R1.528 C=CCCCCSCCCC1CCCC1 62a_100011215482_100011713738 [0,1,0,1,0,0|1,0,0]=3 21746 B15R1.528 C=CCCCCSCCCC1CCCC1 62a_100011713738_100011215482 [0,1,0,1,0,0|1,0,0]=3 21747 B15R1.528 C=CCCCCSCCCN1CCCC1 62a_100011215482_100011445909 [0,1,0,1,0,0|2,0,0]=4 21748 B15R1.528 C=CCCCCSCCCN1CCCC1 62a_100016991639_100011215482 [0,1,0,1,0,0|2,0,0]=4 21749 B15R1.528 C=CCCCNCCCOC1CCCC1 34a_100000747560_100000757094 [0,1,0,1,0,0|2,0,0]=4 21750 B15R1.528 C=CCOCCOCCCC1CCCC1 34a_100000037705_100011713738 [0,1,0,1,0,0|2,0,0]=4 21751 B15R1.528 C=CCOCCOCCCC1CCCC1 7a_100000037705_100011713738 [0,1,0,1,0,0|2,0,0]=4 21752 B15R1.528 C=COCCCCOCCC1CCCC1 34a_100000031558_100000760354 [0,1,0,1,0,0|2,0,0]=4 21753 B15R1.528 C=COCCCCOCCC1CCCC1 7a_100000031558_100000760354 [0,1,0,1,0,0|2,0,0]=4 21754 B15R1.528 C=COCCCNCCCC1CCCC1 2230a_100000210767_100011713738 [0,1,0,1,0,0|2,0,0]=4 21755 B15R1.528 C=COCCCNCCCC1CCCC1 34a_100000210767_100011713738 [0,1,0,1,0,0|2,0,0]=4 21756 B15R1.528 CC=CCCCOCCCC1CCCC1 34a_100020645299_100011713738 [0,1,0,1,0,0|1,0,1]=4 21757 B15R1.528 CCCCCCCCCCN1CC=CC1 269982a_100015195280_100000210320 [0,1,0,1,0,0|1,0,1]=4 21758 B15R1.528 CCCCCCCCCCN1CCCC1 2230a_100000188435_100000210320 [0,1,0,1,0,0|1,0,1]=4 21759 B15R1.528 CCCCCCCCCCN1CCCC1 269982a_100000188435_100000210320 [0,1,0,1,0,0|1,0,1]=4 21760 B15R1.528 CCCCCCCCCCN1CCSC1 2230a_100011215254_100000210320 [0,1,0,1,0,0|2,0,0]=4 21761 B15R1.528 CCCCCCCCCCN1CCSC1 269982a_100011215254_100000210320 [0,1,0,1,0,0|2,0,0]=4 21762 B15R1.528 CCCCCCCCCNC1CC=CC1 2230a_100015188752_100011214924 [0,1,0,1,0,0|1,0,1]=4 21763 B15R1.528 CCCCCCCCCNC1CCCC1 2230a_100000211070_100011214924 [0,1,0,1,0,0|1,0,1]=4 21764 B15R1.528 CCCCCCCCCNC1CCCC1 2230a_100000212291_100000179811 [0,1,0,1,0,0|1,0,1]=4 21765 B15R1.528 CCCCCCCCCNC1CCCC1 270004a_100000212291_100000210133 [0,1,0,1,0,0|1,0,1]=4 21766 B15R1.528 CCCCCCCCCNC1CCCC1 34a_100000211070_100011214924 [0,1,0,1,0,0|1,0,1]=4 21767 B15R1.528 CCCCCCCCCNC1CCCC1 34a_100000212291_100000179811 [0,1,0,1,0,0|1,0,1]=4 21768 B15R1.528 CCCCCCCCCNC1CCOC1 2230a_100000212291_100000731011 [0,1,0,1,0,0|2,0,0]=4 21769 B15R1.528 CCCCCCCCCNC1CCOC1 270004a_100000212291_100000752484 [0,1,0,1,0,0|2,0,0]=4 21770 B15R1.528 CCCCCCCCCNC1CCOC1 34a_100000212291_100000690089 [0,1,0,1,0,0|2,0,0]=4 21771 B15R1.528 CCCCCCCCCNC1CCSC1 270004a_100000212291_100000212027 [0,1,0,1,0,0|2,0,0]=4 21772 B15R1.528 CCCCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100011214924 [0,1,0,1,0,0|2,0,0]=4 21773 B15R1.528 CCCCCCCCCN[C@H]1CCOC1 2230a_100015188467_100011214924 [0,1,0,1,0,0|2,0,0]=4 21774 B15R1.528 CCCCCCCCCN[C@H]1CCOC1 34a_100015188467_100011214924 [0,1,0,1,0,0|2,0,0]=4 21775 B15R1.528 CCCCCCCCCOC1CCCC1 34a_100000210269_100011214924 [0,1,0,1,0,0|1,0,1]=4 21776 B15R1.528 CCCCCCCCCOC1CCCC1 34a_100000210712_100000179811 [0,1,0,1,0,0|1,0,1]=4 21777 B15R1.528 CCCCCCCCCOC1CCCC1 7a_100000210269_100000210328 [0,1,0,1,0,0|1,0,1]=4 21778 B15R1.528 CCCCCCCCCOC1CCCC1 7a_100000210712_100000179811 [0,1,0,1,0,0|1,0,1]=4 21779 B15R1.528 CCCCCCCCCOC1CCCO1 34a_100000085407_100011214924 [0,1,0,1,0,0|0,0,2]=4 21780 B15R1.528 CCCCCCCCCOC1CCOC1 34a_100000210712_100000690089 [0,1,0,1,0,0|2,0,0]=4 21781 B15R1.528 CCCCCCCCCOC1CCOC1 7a_100000210712_100000731011 [0,1,0,1,0,0|2,0,0]=4 21782 B15R1.528 CCCCCCCCCOC1CCSC1 7a_100011232664_100000210328 [0,1,0,1,0,0|2,0,0]=4 21783 B15R1.528 CCCCCCCCCO[C@H]1CCOC1 34a_100000717292_100011214924 [0,1,0,1,0,0|2,0,0]=4 21784 B15R1.528 CCCCCCCCCSC1CCCC1 62a_100011217020_100000210670 [0,1,0,1,0,0|1,0,1]=4 21785 B15R1.528 CCCCCCCCNCC1CCCC1 2230a_100000229939_100000740388 [0,1,0,1,0,0|1,0,1]=4 21786 B15R1.528 CCCCCCCCNCC1CCCC1 2230a_100000737975_100000210759 [0,1,0,1,0,0|1,0,1]=4 21787 B15R1.528 CCCCCCCCNCC1CCCC1 269862a_100000229939_100000746403 [0,1,0,1,0,0|1,0,1]=4 21788 B15R1.528 CCCCCCCCNCC1CCCC1 34a_100000229939_100000740388 [0,1,0,1,0,0|1,0,1]=4 21789 B15R1.528 CCCCCCCCNCC1CCCC1 34a_100000737975_100000210759 [0,1,0,1,0,0|1,0,1]=4 21790 B15R1.528 CCCCCCCCNCC1CCCO1 2230a_100000229939_100000203698 [0,1,0,1,0,0|0,0,2]=4 21791 B15R1.528 CCCCCCCCNCC1CCOC1 2230a_100000229939_100000702531 [0,1,0,1,0,0|2,0,0]=4 21792 B15R1.528 CCCCCCCCNCC1CCOC1 2230a_100000737293_100000210759 [0,1,0,1,0,0|2,0,0]=4 21793 B15R1.528 CCCCCCCCNCC1CCOC1 34a_100000229939_100011261433 [0,1,0,1,0,0|2,0,0]=4 21794 B15R1.528 CCCCCCCCNCC1CCOC1 34a_100000737293_100000210759 [0,1,0,1,0,0|2,0,0]=4 21795 B15R1.528 CCCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210759 [0,1,0,1,0,0|0,0,2]=4 21796 B15R1.528 CCCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210759 [0,1,0,1,0,0|0,0,2]=4 21797 B15R1.528 CCCCCCCCOCC1CC=CC1 34a_100000688395_100000210759 [0,1,0,1,0,0|1,0,1]=4 21798 B15R1.528 CCCCCCCCOCC1CCCC1 34a_100000210232_100000740388 [0,1,0,1,0,0|1,0,1]=4 21799 B15R1.528 CCCCCCCCOCC1CCCC1 34a_100000742336_100000210759 [0,1,0,1,0,0|1,0,1]=4 21800 B15R1.528 CCCCCCCCOCC1CCCC1 7a_100000210232_100000740388 [0,1,0,1,0,0|1,0,1]=4 21801 B15R1.528 CCCCCCCCOCC1CCCC1 7a_100000742336_100000210759 [0,1,0,1,0,0|1,0,1]=4 21802 B15R1.528 CCCCCCCCOCC1CCCO1 34a_100000210270_100000210759 [0,1,0,1,0,0|0,0,2]=4 21803 B15R1.528 CCCCCCCCOCC1CCCO1 7a_100000210232_100000203698 [0,1,0,1,0,0|0,0,2]=4 21804 B15R1.528 CCCCCCCCOCC1CCCO1 7a_100000210270_100000210759 [0,1,0,1,0,0|0,0,2]=4 21805 B15R1.528 CCCCCCCCOCC1CCNC1 34a_100000748654_100000210759 [0,1,0,1,0,0|2,0,0]=4 21806 B15R1.528 CCCCCCCCOCC1CCOC1 34a_100000210232_100011261433 [0,1,0,1,0,0|2,0,0]=4 21807 B15R1.528 CCCCCCCCOCC1CCOC1 34a_100000740260_100000210759 [0,1,0,1,0,0|2,0,0]=4 21808 B15R1.528 CCCCCCCCOCC1CCOC1 7a_100000210232_100000702531 [0,1,0,1,0,0|2,0,0]=4 21809 B15R1.528 CCCCCCCCOC[C@H]1CCCN1 34a_100000745186_100000210759 [0,1,0,1,0,0|1,0,1]=4 21810 B15R1.528 CCCCCCCCSCC1CCCC1 62a_100000210759_100000740388 [0,1,0,1,0,0|1,0,1]=4 21811 B15R1.528 CCCCCCCCSCC1CCCC1 62a_100000740388_100000210317 [0,1,0,1,0,0|1,0,1]=4 21812 B15R1.528 CCCCCCCCSCC1CCCO1 62a_100000203698_100000210317 [0,1,0,1,0,0|0,0,2]=4 21813 B15R1.528 CCCCCCCCSCC1CCCO1 62a_100000210759_100000203698 [0,1,0,1,0,0|0,0,2]=4 21814 B15R1.528 CCCCCCCCSCC1CCOC1 62a_100000210759_100000702531 [0,1,0,1,0,0|2,0,0]=4 21815 B15R1.528 CCCCCCCCSCC1CCOC1 62a_100000702531_100000210317 [0,1,0,1,0,0|2,0,0]=4 21816 B15R1.528 CCCCCCCNCCC1CCCC1 2230a_100000229938_100000760354 [0,1,0,1,0,0|1,0,1]=4 21817 B15R1.528 CCCCCCCNCCC1CCCC1 2230a_100000739158_100000210681 [0,1,0,1,0,0|1,0,1]=4 21818 B15R1.528 CCCCCCCNCCC1CCCC1 34a_100000739158_100000210614 [0,1,0,1,0,0|1,0,1]=4 21819 B15R1.528 CCCCCCCOCCC1CCCC1 34a_100000210272_100000760354 [0,1,0,1,0,0|1,0,1]=4 21820 B15R1.528 CCCCCCCOCCC1CCCC1 34a_100000749090_100000210614 [0,1,0,1,0,0|1,0,1]=4 21821 B15R1.528 CCCCCCCOCCC1CCCC1 7a_100000210272_100000760354 [0,1,0,1,0,0|1,0,1]=4 21822 B15R1.528 CCCCCCCOCCC1CCCC1 7a_100000749090_100000210614 [0,1,0,1,0,0|1,0,1]=4 21823 B15R1.528 CCCCCCCOCCC1CCNC1 34a_100016987287_100000210614 [0,1,0,1,0,0|2,0,0]=4 21824 B15R1.528 CCCCCCCOCCC1CCOC1 34a_100011879284_100000210614 [0,1,0,1,0,0|2,0,0]=4 21825 B15R1.528 CCCCCCCSCCC1CCCC1 62a_100000210614_100000760354 [0,1,0,1,0,0|1,0,1]=4 21826 B15R1.528 CCCCCCCSCCC1CCCC1 62a_100000760354_100000210316 [0,1,0,1,0,0|1,0,1]=4 21827 B15R1.528 CCCCCCNCCCC1CCCC1 2230a_100000210581_100011713738 [0,1,0,1,0,0|1,0,1]=4 21828 B15R1.528 CCCCCCNCCCC1CCCC1 2230a_100000736752_100000210314 [0,1,0,1,0,0|1,0,1]=4 21829 B15R1.528 CCCCCCNCCCC1CCCC1 34a_100000736752_100000210314 [0,1,0,1,0,0|1,0,1]=4 21830 B15R1.528 CCCCCCOCCCC1CCCC1 34a_100000210259_100011713738 [0,1,0,1,0,0|1,0,1]=4 21831 B15R1.528 CCCCCCOCCCC1CCCC1 34a_100011215328_100000210314 [0,1,0,1,0,0|1,0,1]=4 21832 B15R1.528 CCCCCCOCCCC1CCCC1 7a_100000210259_100011713738 [0,1,0,1,0,0|1,0,1]=4 21833 B15R1.528 CCCCCCOCCCC1CCCC1 7a_100011215328_100000210314 [0,1,0,1,0,0|1,0,1]=4 21834 B15R1.528 CCCCCCSCCCC1CCCC1 62a_100000210314_100011713738 [0,1,0,1,0,0|1,0,1]=4 21835 B15R1.528 CCCCCCSCCCC1CCCC1 62a_100011713738_100000210757 [0,1,0,1,0,0|1,0,1]=4 21836 B15R1.528 CNCCCCCOCCC1CCCC1 34a_100000722520_100000760354 [0,1,0,1,0,0|2,0,0]=4 21837 B15R1.528 COCCCCCCNCC1CCCC1 2230a_100000737975_100011998445 [0,1,0,1,0,0|2,0,0]=4 21838 B15R1.528 COCCCCCCNCC1CCCC1 34a_100000737975_100011998445 [0,1,0,1,0,0|2,0,0]=4 21839 B15R1.528 COCCCCCCOCC1CCCC1 34a_100000742336_100011998445 [0,1,0,1,0,0|2,0,0]=4 21840 B15R1.528 COCCCCCCOCC1CCCC1 34a_200012092642_100000740388 [0,1,0,1,0,0|2,0,0]=4 21841 B15R1.528 COCCCCCCOCC1CCCC1 7a_100000742336_100011998445 [0,1,0,1,0,0|2,0,0]=4 21842 B15R1.528 COCCCCCCOCC1CCCC1 7a_200012092642_100000740388 [0,1,0,1,0,0|2,0,0]=4 21843 B15R1.528 COCCCCCCSCC1CCCC1 62a_100000740388_100011998445 [0,1,0,1,0,0|2,0,0]=4 21844 B15R1.528 COCCCCCCSCC1CCCC1 62a_100011998445_100000740388 [0,1,0,1,0,0|2,0,0]=4 21845 B15R1.528 COCCCCCNCCC1CCCC1 2230a_100000747528_100000760354 [0,1,0,1,0,0|2,0,0]=4 21846 B15R1.528 COCCCCCNCCC1CCCC1 34a_100000747528_100000760354 [0,1,0,1,0,0|2,0,0]=4 21847 B15R1.528 COCCCCNCCCC1CCCC1 2230a_100000736752_100000730899 [0,1,0,1,0,0|2,0,0]=4 21848 B15R1.528 COCCCCNCCCC1CCCC1 34a_100000736752_100000755781 [0,1,0,1,0,0|2,0,0]=4 21849 B15R1.528 COCCCCOCCCC1CCCC1 34a_100000740925_100011713738 [0,1,0,1,0,0|2,0,0]=4 21850 B15R1.528 COCCCCOCCCC1CCCC1 34a_100011215328_100000755781 [0,1,0,1,0,0|2,0,0]=4 21851 B15R1.528 COCCCCOCCCC1CCCC1 7a_100011215328_100000730899 [0,1,0,1,0,0|2,0,0]=4 21852 B15R1.528 COCCCCSCCCC1CCCC1 62a_100000730899_100011713738 [0,1,0,1,0,0|2,0,0]=4 21853 B15R1.528 COCCCCSCCCC1CCCC1 62a_100011713738_100000730899 [0,1,0,1,0,0|2,0,0]=4 21854 B15R1.528 CSCCCCOCCCC1CCCC1 34a_100011217163_100011713738 [0,1,0,1,0,0|2,0,0]=4 21855 B15R1.528 CSCCCCOCCCC1CCCC1 7a_100011217163_100011713738 [0,1,0,1,0,0|2,0,0]=4 21856 B15R1.528 ClCCCCCCCCOC1CCCC1 34a_100000033203_100000179811 [0,1,0,1,0,0|1,0,1]=4 21857 B15R1.528 ClCCCCCCCCOC1CCCC1 7a_100000033203_100000179811 [0,1,0,1,0,0|1,0,1]=4 21858 B15R1.528 ClCCCCCCOCCC1CCCC1 34a_100000766143_100000760354 [0,1,0,1,0,0|1,0,1]=4 21859 B15R1.528 ClCCCCCCOCCC1CCCC1 7a_100000766143_100000760354 [0,1,0,1,0,0|1,0,1]=4 21860 B15R1.528 ClCCCCCOCCCC1CCCC1 34a_100000746330_100011713738 [0,1,0,1,0,0|1,0,1]=4 21861 B15R1.528 ClCCCCCOCCCC1CCCC1 7a_100000746330_100011713738 [0,1,0,1,0,0|1,0,1]=4 21862 B15R1.528 FCCCCCCNCCC1CCCC1 2230a_100000739158_100015922095 [0,1,0,1,0,0|1,0,1]=4 21863 B15R1.528 FCCCCCCNCCC1CCCC1 34a_100000739158_100015922095 [0,1,0,1,0,0|1,0,1]=4 21864 B15R1.528 FCCCCCCOCCC1CCCC1 34a_100000732779_100000760354 [0,1,0,1,0,0|1,0,1]=4 21865 B15R1.528 FCCCCCCOCCC1CCCC1 34a_100000749090_100015922095 [0,1,0,1,0,0|1,0,1]=4 21866 B15R1.528 FCCCCCCOCCC1CCCC1 7a_100000732779_100000760354 [0,1,0,1,0,0|1,0,1]=4 21867 B15R1.528 FCCCCCCOCCC1CCCC1 7a_100000749090_100015922095 [0,1,0,1,0,0|1,0,1]=4 21868 B15R1.528 FCCCCCCSCCC1CCCC1 62a_100000760354_100015922095 [0,1,0,1,0,0|1,0,1]=4 21869 B15R1.528 FCCCCCCSCCC1CCCC1 62a_100015922095_100000760354 [0,1,0,1,0,0|1,0,1]=4 21870 B15R1.528 FCCCCCNCCCC1CCCC1 2230a_100000736752_100000729378 [0,1,0,1,0,0|1,0,1]=4 21871 B15R1.528 FCCCCCNCCCC1CCCC1 34a_100000736752_100000729378 [0,1,0,1,0,0|1,0,1]=4 21872 B15R1.528 FCCCCCOCCCC1CCCC1 34a_100011215328_100000729378 [0,1,0,1,0,0|1,0,1]=4 21873 B15R1.528 FCCCCCOCCCC1CCCC1 7a_100011215328_100000729378 [0,1,0,1,0,0|1,0,1]=4 21874 B15R1.528 FCCCCCSCCCC1CCCC1 62a_100000729378_100011713738 [0,1,0,1,0,0|1,0,1]=4 21875 B15R1.528 FCCCCCSCCCC1CCCC1 62a_100011713738_100000729378 [0,1,0,1,0,0|1,0,1]=4 21876 B15R1.528 ICCCCCOCCCC1CCCC1 34a_200012148887_100011713738 [0,1,0,1,0,0|1,0,1]=4 21877 B15R1.528 ICCCCCOCCCC1CCCC1 7a_200012148887_100011713738 [0,1,0,1,0,0|1,0,1]=4 21878 B15R1.528 N#CCCCCCCNCC1CCCC1 2230a_100000737975_100009813337 [0,1,0,1,0,0|1,0,1]=4 21879 B15R1.528 N#CCCCCCCOCC1CCCC1 7a_100000742336_100009813337 [0,1,0,1,0,0|1,0,1]=4 21880 B15R1.528 N#CCCCCCCSCC1CCCC1 62a_100000740388_100009813337 [0,1,0,1,0,0|1,0,1]=4 21881 B15R1.528 N#CCCCCCCSCC1CCCC1 62a_100009813337_100000740388 [0,1,0,1,0,0|1,0,1]=4 21882 B15R1.528 N#CCCCCCNCCC1CCCC1 2230a_100000739158_100009813376 [0,1,0,1,0,0|1,0,1]=4 21883 B15R1.528 N#CCCCCCOCCC1CCCC1 7a_100000749090_100009813376 [0,1,0,1,0,0|1,0,1]=4 21884 B15R1.528 N#CCCCCCSCCC1CCCC1 62a_100000760354_100009813376 [0,1,0,1,0,0|1,0,1]=4 21885 B15R1.528 N#CCCCCCSCCC1CCCC1 62a_100009813376_100000760354 [0,1,0,1,0,0|1,0,1]=4 21886 B15R1.528 N#CCCCCNCCCC1CCCC1 2230a_100000736752_100000211819 [0,1,0,1,0,0|1,0,1]=4 21887 B15R1.528 N#CCCCCOCCCC1CCCC1 7a_100011215328_100000211819 [0,1,0,1,0,0|1,0,1]=4 21888 B15R1.528 N#CCCCCSCCCC1CCCC1 62a_100011219923_100011713738 [0,1,0,1,0,0|1,0,1]=4 21889 B15R1.528 N#CCCCCSCCCC1CCCC1 62a_100011713738_100000211819 [0,1,0,1,0,0|1,0,1]=4 21890 B15R1.528 NCCCCCCCCOC1CCCC1 34a_102515433106_100000179811 [0,1,0,1,0,0|1,0,1]=4 21891 B15R1.528 NCCCCCCCOCC1CCCC1 34a_100011996573_100000740388 [0,1,0,1,0,0|1,0,1]=4 21892 B15R1.528 NCCCCCCOCCC1CCCC1 34a_100000686447_100000760354 [0,1,0,1,0,0|1,0,1]=4 21893 B15R1.528 NCCCCCOCCCC1CCCC1 34a_100000762737_100011713738 [0,1,0,1,0,0|1,0,1]=4 21894 B15R1.528 O=CCCCCCNCCC1CCCC1 2230a_100000739158_100000139337 [0,1,0,1,0,0|0,0,0]=2 21895 B15R1.528 O=CCCCCCNCCC1OCCO1 2230a_100000034215_100000139337 [0,1,0,1,0,0|2,0,0]=4 21896 B15R1.528 O=CCCCCCOCCC1CCCC1 7a_100000749090_100000139337 [0,1,0,1,0,0|0,0,0]=2 21897 B15R1.528 O=CCCCCCSCCC1CCCC1 62a_100000139337_100000760354 [0,1,0,1,0,0|0,0,0]=2 21898 B15R1.528 O=CCCCCCSCCC1CCCC1 62a_100000760354_100000139337 [0,1,0,1,0,0|0,0,0]=2 21899 B15R1.528 O=CCCCCCSCCC1OCCO1 62a_100000139337_100000740749 [0,1,0,1,0,0|2,0,0]=4 21900 B15R1.528 O=CCCCCCSCCN1CCCC1 62a_100000139337_100000004467 [0,1,0,1,0,0|1,0,0]=3 21901 B15R1.528 O=CCCCCCSCCN1CCCC1 62a_100000700749_100000139337 [0,1,0,1,0,0|1,0,0]=3 21902 B15R1.528 O=CCCCCNCCCC1CCCC1 2230a_100000736752_100000139335 [0,1,0,1,0,0|0,0,0]=2 21903 B15R1.528 O=CCCCCOCCCC1CCCC1 7a_100011215328_100000139335 [0,1,0,1,0,0|0,0,0]=2 21904 B15R1.528 O=CCCCCOCCCC1OCCO1 7a_100009871617_100000139335 [0,1,0,1,0,0|2,0,0]=4 21905 B15R1.528 O=CCCCCOCCOC1CCCC1 7a_100000738311_100000139335 [0,1,0,1,0,0|1,0,0]=3 21906 B15R1.528 O=CCCCCSCCCC1CCCC1 62a_100000139335_100011713738 [0,1,0,1,0,0|0,0,0]=2 21907 B15R1.528 O=CCCCCSCCCC1CCCC1 62a_100011713738_100000139335 [0,1,0,1,0,0|0,0,0]=2 21908 B15R1.528 O=CCCCCSCCCC1OCCO1 62a_100000139335_100000042513 [0,1,0,1,0,0|2,0,0]=4 21909 B15R1.528 O=CCCCCSCCCN1CCCC1 62a_100000139335_100011445909 [0,1,0,1,0,0|1,0,0]=3 21910 B15R1.528 O=CCCCCSCCCN1CCCC1 62a_100016991639_100000139335 [0,1,0,1,0,0|1,0,0]=3 21911 B15R1.528 O=CCCCSCCCCC1OCCO1 62a_200011292268_100000034956 [0,1,0,1,0,0|2,0,0]=4 21912 B15R1.528 OCCCCCCCCCN1CCCC1 2230a_100000188435_100009813782 [0,1,0,1,0,0|0,0,2]=4 21913 B15R1.528 OCCCCCCCCCN1CCCC1 269982a_100000188435_100009813782 [0,1,0,1,0,0|0,0,2]=4 21914 B15R1.528 OCCCCCCCCNC1CCCC1 2230a_100000211070_100000033203 [0,1,0,1,0,0|0,0,2]=4 21915 B15R1.528 OCCCCCCCCNC1CCCC1 2230a_102515433106_100000179811 [0,1,0,1,0,0|0,0,2]=4 21916 B15R1.528 OCCCCCCCCNC1CCCC1 270004a_102515433106_100000210133 [0,1,0,1,0,0|0,0,2]=4 21917 B15R1.528 OCCCCCCCCNC1CCCC1 34a_100000211070_100000033203 [0,1,0,1,0,0|0,0,2]=4 21918 B15R1.528 OCCCCCCCCNC1CCCC1 34a_102515433106_100000179811 [0,1,0,1,0,0|0,0,2]=4 21919 B15R1.528 OCCCCCCCCOC1CCCC1 34a_100000210269_100000033203 [0,1,0,1,0,0|0,0,2]=4 21920 B15R1.528 OCCCCCCCCOC1CCCC1 7a_100000210269_100000033203 [0,1,0,1,0,0|0,0,2]=4 21921 B15R1.528 OCCCCCCCCSC1CCCC1 62a_100000033203_100000179811 [0,1,0,1,0,0|0,0,2]=4 21922 B15R1.528 OCCCCCCCCSC1CCCC1 62a_100011217020_100000033203 [0,1,0,1,0,0|0,0,2]=4 21923 B15R1.528 OCCCCCCCNCC1CCCC1 2230a_100000737975_100000760002 [0,1,0,1,0,0|0,0,2]=4 21924 B15R1.528 OCCCCCCCNCC1CCCC1 2230a_100011996573_100000740388 [0,1,0,1,0,0|0,0,2]=4 21925 B15R1.528 OCCCCCCCNCC1CCCC1 269862a_100011996573_100000746403 [0,1,0,1,0,0|0,0,2]=4 21926 B15R1.528 OCCCCCCCNCC1CCCC1 34a_100000737975_100000760002 [0,1,0,1,0,0|0,0,2]=4 21927 B15R1.528 OCCCCCCCNCC1CCCC1 34a_100011996573_100000740388 [0,1,0,1,0,0|0,0,2]=4 21928 B15R1.528 OCCCCCCCOCC1CCCC1 34a_100000742336_100000760002 [0,1,0,1,0,0|0,0,2]=4 21929 B15R1.528 OCCCCCCCOCC1CCCC1 7a_100000742336_100000760002 [0,1,0,1,0,0|0,0,2]=4 21930 B15R1.528 OCCCCCCCSCC1CCCC1 62a_100000740388_100000760002 [0,1,0,1,0,0|0,0,2]=4 21931 B15R1.528 OCCCCCCCSCC1CCCC1 62a_100000760002_100000740388 [0,1,0,1,0,0|0,0,2]=4 21932 B15R1.528 OCCCCCCNCCC1CCCC1 2230a_100000686447_100000760354 [0,1,0,1,0,0|0,0,2]=4 21933 B15R1.528 OCCCCCCNCCC1CCCC1 2230a_100000739158_100000766143 [0,1,0,1,0,0|0,0,2]=4 21934 B15R1.528 OCCCCCCNCCC1CCCC1 34a_100000686447_100000760354 [0,1,0,1,0,0|0,0,2]=4 21935 B15R1.528 OCCCCCCNCCC1CCCC1 34a_100000739158_100000766143 [0,1,0,1,0,0|0,0,2]=4 21936 B15R1.528 OCCCCCCOCCC1CCCC1 34a_100000749090_100000766143 [0,1,0,1,0,0|0,0,2]=4 21937 B15R1.528 OCCCCCCOCCC1CCCC1 7a_100000749090_100000766143 [0,1,0,1,0,0|0,0,2]=4 21938 B15R1.528 OCCCCCCSCCC1CCCC1 62a_100000760354_100000766143 [0,1,0,1,0,0|0,0,2]=4 21939 B15R1.528 OCCCCCCSCCC1CCCC1 62a_100000766143_100000760354 [0,1,0,1,0,0|0,0,2]=4 21940 B15R1.528 OCCCCCNCCCC1CCCC1 2230a_100000736752_100000746330 [0,1,0,1,0,0|0,0,2]=4 21941 B15R1.528 OCCCCCNCCCC1CCCC1 2230a_100000762737_100011713738 [0,1,0,1,0,0|0,0,2]=4 21942 B15R1.528 OCCCCCNCCCC1CCCC1 34a_100000736752_100000746330 [0,1,0,1,0,0|0,0,2]=4 21943 B15R1.528 OCCCCCNCCCC1CCCC1 34a_100000762737_100011713738 [0,1,0,1,0,0|0,0,2]=4 21944 B15R1.528 OCCCCCOCCCC1CCCC1 34a_100011215328_100000746330 [0,1,0,1,0,0|0,0,2]=4 21945 B15R1.528 OCCCCCOCCCC1CCCC1 7a_100011215328_100000746330 [0,1,0,1,0,0|0,0,2]=4 21946 B15R1.528 OCCCCCSCCCC1CCCC1 62a_100000746330_100011713738 [0,1,0,1,0,0|0,0,2]=4 21947 B15R1.528 OCCCCCSCCCC1CCCC1 62a_100011713738_100000746330 [0,1,0,1,0,0|0,0,2]=4 21948 B15R1.553 C#CCCCCCCN1CCCC1CC 2230a_100000754278_100012276617 [0,1,0,1,0,0|1,0,1]=4 21949 B15R1.553 C#CCCCCCCN1CCCC1CC 269982a_100000754278_100012276617 [0,1,0,1,0,0|1,0,1]=4 21950 B15R1.553 C#CCCCCCCN1CCCC1CC 34a_100000754278_100012276617 [0,1,0,1,0,0|1,0,1]=4 21951 B15R1.553 C=CCCCCCCN1CCCC1CC 2230a_100000754278_100011215473 [0,1,0,1,0,0|1,0,0]=3 21952 B15R1.553 C=CCCCCCCN1CCCC1CC 269982a_100000754278_100011215473 [0,1,0,1,0,0|1,0,0]=3 21953 B15R1.553 C=CCCCCCCN1CCCC1CC 34a_100000754278_100011215473 [0,1,0,1,0,0|1,0,0]=3 21954 B15R1.553 C=CCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100011215473 [0,1,0,1,0,0|2,0,0]=4 21955 B15R1.553 C=CCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215473 [0,1,0,1,0,0|2,0,0]=4 21956 B15R1.553 C=CCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100011215473 [0,1,0,1,0,0|2,0,0]=4 21957 B15R1.553 C=CCCCCNCC1CCCN1CC 2230a_100000211693_100011215482 [0,1,0,1,0,0|2,0,0]=4 21958 B15R1.553 C=CCCCCOC[C@H]1CCCN1CC 34a_100011739246_100011215482 [0,1,0,1,0,0|2,0,0]=4 21959 B15R1.553 C=CCCCCOC[C@H]1CCCN1CC 7a_100011739246_100011215482 [0,1,0,1,0,0|2,0,0]=4 21960 B15R1.553 CCC1CCCC1NCCCCCC#N 270004a_100000061152_100000749056 [0,1,0,1,0,0|1,0,1]=4 21961 B15R1.553 CCC1CCCC1NCCCCCCO 269862a_100000686447_100000749056 [0,1,0,1,0,0|0,0,2]=4 21962 B15R1.553 CCC1CCCC1NCCCCCCO 270004a_100000686447_100000749056 [0,1,0,1,0,0|0,0,2]=4 21963 B15R1.553 CCC1CCCC1NCCCCCOC 269862a_100000747528_100000749056 [0,1,0,1,0,0|2,0,0]=4 21964 B15R1.553 CCC1CCCC1NCCCCCOC 270004a_100000747528_100000749056 [0,1,0,1,0,0|2,0,0]=4 21965 B15R1.553 CCC1CCCN1CCCCCCC#N 2230a_100000754278_100009813337 [0,1,0,1,0,0|1,0,1]=4 21966 B15R1.553 CCC1CCCN1CCCCCCC#N 269982a_100000754278_100009813337 [0,1,0,1,0,0|1,0,1]=4 21967 B15R1.553 CCC1CCCN1CCCCCCCO 2230a_100000754278_100000760002 [0,1,0,1,0,0|0,0,2]=4 21968 B15R1.553 CCC1CCCN1CCCCCCCO 269982a_100000754278_100000760002 [0,1,0,1,0,0|0,0,2]=4 21969 B15R1.553 CCC1CCCN1CCCCCCCO 34a_100000754278_100000760002 [0,1,0,1,0,0|0,0,2]=4 21970 B15R1.553 CCC1CCCN1CCCCCCOC 2230a_100000754278_100011998445 [0,1,0,1,0,0|2,0,0]=4 21971 B15R1.553 CCC1CCCN1CCCCCCOC 269982a_100000754278_100011998445 [0,1,0,1,0,0|2,0,0]=4 21972 B15R1.553 CCC1CCCN1CCCCCCOC 34a_100000754278_100011998445 [0,1,0,1,0,0|2,0,0]=4 21973 B15R1.553 CCCCCCCCN1CCCC1C#N 2230a_100000701862_100000210759 [0,1,0,1,0,0|1,0,1]=4 21974 B15R1.553 CCCCCCCCN1CCCC1CC 2230a_100000754278_100000210759 [0,1,0,1,0,0|1,0,1]=4 21975 B15R1.553 CCCCCCCCN1CCCC1CC 269982a_100000754278_100000210759 [0,1,0,1,0,0|1,0,1]=4 21976 B15R1.553 CCCCCCCCN1CCCC1CC 34a_100000754278_100000210759 [0,1,0,1,0,0|1,0,1]=4 21977 B15R1.553 CCCCCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210759 [0,1,0,1,0,0|1,0,1]=4 21978 B15R1.553 CCCCCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210759 [0,1,0,1,0,0|1,0,1]=4 21979 B15R1.553 CCCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210759 [0,1,0,1,0,0|0,0,2]=4 21980 B15R1.553 CCCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210759 [0,1,0,1,0,0|0,0,2]=4 21981 B15R1.553 CCCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000210759 [0,1,0,1,0,0|0,0,2]=4 21982 B15R1.553 CCCCCCCNC1CCCC1CC 269862a_100000229938_100000749056 [0,1,0,1,0,0|1,0,1]=4 21983 B15R1.553 CCCCCCCNC1CCCC1CC 270004a_100000229938_100000749056 [0,1,0,1,0,0|1,0,1]=4 21984 B15R1.553 CCCCCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210614 [0,1,0,1,0,0|1,0,1]=4 21985 B15R1.553 CCCCCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210614 [0,1,0,1,0,0|1,0,1]=4 21986 B15R1.553 CCN1CCCC1CNCCCCC=O 2230a_100000211693_100000139335 [0,1,0,1,0,0|1,0,0]=3 21987 B15R1.553 CCN1CCC[C@@H]1COCCCCC=O 7a_100011739246_100000139335 [0,1,0,1,0,0|1,0,0]=3 21988 B15R1.553 N#C[C@@H]1CCC[C@H]1OCCCCCC=O 7a_100011907464_100000139337 [0,1,0,1,0,0|1,0,1]=4 21989 B15R1.1045 C#CC1CCCCN1CCCCCC=O 2230a_200020621307_100000139337 [0,1,0,1,0,0|0,0,2]=4 21990 B15R1.1045 C#CC1CCCCN1CCCCCC=O 269982a_200020621307_100000139337 [0,1,0,1,0,0|0,0,2]=4 21991 B15R1.1045 C#CC1CCCCN1CCCCCCC 2230a_200020621307_100000210681 [0,1,0,1,0,0|1,0,1]=4 21992 B15R1.1045 C#CC1CCCCN1CCCCCCC 269982a_200020621307_100000210681 [0,1,0,1,0,0|1,0,1]=4 21993 B15R1.1045 C#CC1CCCCN1CCCCCCC 34a_200020621307_100000210614 [0,1,0,1,0,0|1,0,1]=4 21994 B15R1.1045 C#CCCCCCN1CCCCC1CC 2230a_100000210034_100012094781 [0,1,0,1,0,0|1,0,1]=4 21995 B15R1.1045 C#CCCCCCN1CCCCC1CC 269982a_100000210034_100012094781 [0,1,0,1,0,0|1,0,1]=4 21996 B15R1.1045 C#CCCCCCN1CCCCC1CC 34a_100000210034_100012094781 [0,1,0,1,0,0|1,0,1]=4 21997 B15R1.1045 C#CCCCCOC1CCCCC1CC 34a_100000210738_100010269958 [0,1,0,1,0,0|1,0,1]=4 21998 B15R1.1045 C#CCCCCOC1CCCCC1CC 7a_100000210738_100010269958 [0,1,0,1,0,0|1,0,1]=4 21999 B15R1.1045 C=CCCCCCN1CCCCC1CC 2230a_100000210034_100000700193 [0,1,0,1,0,0|1,0,0]=3 22000 B15R1.1045 C=CCCCCCN1CCCCC1CC 269982a_100000210034_100000700193 [0,1,0,1,0,0|1,0,0]=3 22001 B15R1.1045 C=CCCCCCN1CCCCC1CC 34a_100000210034_100000700193 [0,1,0,1,0,0|1,0,0]=3 22002 B15R1.1045 C=CCCCCCN1CCCCC1CO 2230a_100000210821_100000700193 [0,1,0,1,0,0|2,0,0]=4 22003 B15R1.1045 C=CCCCCCN1CCCCC1CO 269982a_100000210821_100000700193 [0,1,0,1,0,0|2,0,0]=4 22004 B15R1.1045 C=CCCCCCN1CCCCC1CO 34a_100000210821_100000700193 [0,1,0,1,0,0|2,0,0]=4 22005 B15R1.1045 C=CCCCCCN1CCOC[C@@H]1CC 2230a_100016988097_100000700193 [0,1,0,1,0,0|2,0,0]=4 22006 B15R1.1045 C=CCCCCCN1CCOC[C@@H]1CC 269982a_100016988097_100000700193 [0,1,0,1,0,0|2,0,0]=4 22007 B15R1.1045 C=CCCCCCN1CCOC[C@@H]1CC 34a_100016988097_100000700193 [0,1,0,1,0,0|2,0,0]=4 22008 B15R1.1045 C=CCCCCNC1CCCCC1CC 269862a_100000703577_100000757040 [0,1,0,1,0,0|1,0,0]=3 22009 B15R1.1045 C=CCCCCNC1CCCCC1CC 270004a_100000703577_100000757040 [0,1,0,1,0,0|1,0,0]=3 22010 B15R1.1045 C=CCCCCNC1CCCCC1CO 270004a_100000703577_100009861125 [0,1,0,1,0,0|2,0,0]=4 22011 B15R1.1045 C=CCCCCNC1CCCCC1OC 270004a_100000703577_100000740605 [0,1,0,1,0,0|2,0,0]=4 22012 B15R1.1045 C=CCCCCNC1CCCCC1OC 34a_100011208099_100011215482 [0,1,0,1,0,0|2,0,0]=4 22013 B15R1.1045 C=CCCCCOC1CCCCC1CC 34a_100000210738_100011215482 [0,1,0,1,0,0|1,0,0]=3 22014 B15R1.1045 C=CCCCCOC1CCCCC1CC 7a_100000210738_100011215482 [0,1,0,1,0,0|1,0,0]=3 22015 B15R1.1045 C=CCCCCOC1CCCCC1CN 34a_100011216029_100011215482 [0,1,0,1,0,0|2,0,0]=4 22016 B15R1.1045 C=CCCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100011215482 [0,1,0,1,0,0|2,0,0]=4 22017 B15R1.1045 C=CCCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100011215482 [0,1,0,1,0,0|2,0,0]=4 22018 B15R1.1045 C=CCCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100011215482 [0,1,0,1,0,0|2,0,0]=4 22019 B15R1.1045 C=CCCCNCC1CCCCN1CC 2230a_100000754393_100011713584 [0,1,0,1,0,0|2,0,0]=4 22020 B15R1.1045 C=CCCCNCC1CCCCN1CC 34a_100000754393_100000757094 [0,1,0,1,0,0|2,0,0]=4 22021 B15R1.1045 C=CCCCOCC1CCCCN1CC 34a_100000225091_100000757094 [0,1,0,1,0,0|2,0,0]=4 22022 B15R1.1045 C=CCCCOCC1CCCCN1CC 7a_100000225091_100000757094 [0,1,0,1,0,0|2,0,0]=4 22023 B15R1.1045 C=CCCNCCN1CCCCC1CC 2230a_100000755458_100000754431 [0,1,0,1,0,0|2,0,0]=4 22024 B15R1.1045 C=CCCNCCN1CCCCC1CC 34a_100000755458_100000754431 [0,1,0,1,0,0|2,0,0]=4 22025 B15R1.1045 C=CCNCCCN1CCCCC1CC 34a_100011191702_100015514636 [0,1,0,1,0,0|2,0,0]=4 22026 B15R1.1045 C=COCCCNC1CCCCC1CC 269862a_100000210767_100000757040 [0,1,0,1,0,0|2,0,0]=4 22027 B15R1.1045 C=COCCCNC1CCCCC1CC 270004a_100000210767_100000757040 [0,1,0,1,0,0|2,0,0]=4 22028 B15R1.1045 CCC1CCCCC1NCCCCC#N 270004a_100000751965_100000757040 [0,1,0,1,0,0|1,0,1]=4 22029 B15R1.1045 CCC1CCCCC1NCCCCCO 269862a_100000762737_100000757040 [0,1,0,1,0,0|0,0,2]=4 22030 B15R1.1045 CCC1CCCCC1NCCCCCO 270004a_100000762737_100000757040 [0,1,0,1,0,0|0,0,2]=4 22031 B15R1.1045 CCC1CCCCC1OCCCCC#N 7a_100000210738_100000211819 [0,1,0,1,0,0|1,0,1]=4 22032 B15R1.1045 CCC1CCCCC1OCCCCC=O 7a_100000210738_100000139335 [0,1,0,1,0,0|0,0,0]=2 22033 B15R1.1045 CCC1CCCCC1OCCCCCF 34a_100000210738_100000729378 [0,1,0,1,0,0|1,0,1]=4 22034 B15R1.1045 CCC1CCCCC1OCCCCCF 7a_100000210738_100000729378 [0,1,0,1,0,0|1,0,1]=4 22035 B15R1.1045 CCC1CCCCC1OCCCCCO 34a_100000210738_100000746330 [0,1,0,1,0,0|0,0,2]=4 22036 B15R1.1045 CCC1CCCCC1OCCCCCO 7a_100000210738_100000746330 [0,1,0,1,0,0|0,0,2]=4 22037 B15R1.1045 CCC1CCCCC1OCCCCOC 34a_100000210738_100000755781 [0,1,0,1,0,0|2,0,0]=4 22038 B15R1.1045 CCC1CCCCC1OCCCCOC 7a_100000210738_100000730899 [0,1,0,1,0,0|2,0,0]=4 22039 B15R1.1045 CCC1CCCCN1CCCCCC#N 2230a_100000210034_100009813376 [0,1,0,1,0,0|1,0,1]=4 22040 B15R1.1045 CCC1CCCCN1CCCCCC#N 269982a_100000210034_100009813376 [0,1,0,1,0,0|1,0,1]=4 22041 B15R1.1045 CCC1CCCCN1CCCCCC=O 2230a_100000210034_100000139337 [0,1,0,1,0,0|0,0,0]=2 22042 B15R1.1045 CCC1CCCCN1CCCCCC=O 269982a_100000210034_100000139337 [0,1,0,1,0,0|0,0,0]=2 22043 B15R1.1045 CCC1CCCCN1CCCCCCF 2230a_100000210034_100015922095 [0,1,0,1,0,0|1,0,1]=4 22044 B15R1.1045 CCC1CCCCN1CCCCCCF 269982a_100000210034_100015922095 [0,1,0,1,0,0|1,0,1]=4 22045 B15R1.1045 CCC1CCCCN1CCCCCCF 34a_100000210034_100015922095 [0,1,0,1,0,0|1,0,1]=4 22046 B15R1.1045 CCC1CCCCN1CCCCCCO 2230a_100000210034_100000766143 [0,1,0,1,0,0|0,0,2]=4 22047 B15R1.1045 CCC1CCCCN1CCCCCCO 269982a_100000210034_100000766143 [0,1,0,1,0,0|0,0,2]=4 22048 B15R1.1045 CCC1CCCCN1CCCCCCO 34a_100000210034_100000766143 [0,1,0,1,0,0|0,0,2]=4 22049 B15R1.1045 CCC1CCCCN1CCCNCC=O 34a_100011191702_200009817547 [0,1,0,1,0,0|1,0,0]=3 22050 B15R1.1045 CCCCCCCN1CCCCC1C#N 34a_100016989756_100000210614 [0,1,0,1,0,0|1,0,1]=4 22051 B15R1.1045 CCCCCCCN1CCCCC1CC 2230a_100000210034_100000210681 [0,1,0,1,0,0|1,0,1]=4 22052 B15R1.1045 CCCCCCCN1CCCCC1CC 269982a_100000210034_100000210681 [0,1,0,1,0,0|1,0,1]=4 22053 B15R1.1045 CCCCCCCN1CCCCC1CC 34a_100000210034_100000210614 [0,1,0,1,0,0|1,0,1]=4 22054 B15R1.1045 CCCCCCCN1CCCCC1CO 2230a_100000210821_100000210681 [0,1,0,1,0,0|0,0,2]=4 22055 B15R1.1045 CCCCCCCN1CCCCC1CO 269982a_100000210821_100000210681 [0,1,0,1,0,0|0,0,2]=4 22056 B15R1.1045 CCCCCCCN1CCCCC1CO 34a_100000210821_100000210614 [0,1,0,1,0,0|0,0,2]=4 22057 B15R1.1045 CCCCCCNC1CCCCC1CC 269862a_100000210581_100000757040 [0,1,0,1,0,0|1,0,1]=4 22058 B15R1.1045 CCCCCCNC1CCCCC1CC 270004a_100000210581_100000757040 [0,1,0,1,0,0|1,0,1]=4 22059 B15R1.1045 CCCCCCNC1CCCCC1CO 270004a_100000210581_100009861125 [0,1,0,1,0,0|0,0,2]=4 22060 B15R1.1045 CCCCCCNC1CCCCC1OC 270004a_100000210581_100000740605 [0,1,0,1,0,0|2,0,0]=4 22061 B15R1.1045 CCCCCCNC1CCCCC1OC 34a_100011208099_100000210314 [0,1,0,1,0,0|2,0,0]=4 22062 B15R1.1045 CCCCCCOC1CCCCC1CC 34a_100000210738_100000210314 [0,1,0,1,0,0|1,0,1]=4 22063 B15R1.1045 CCCCCCOC1CCCCC1CC 7a_100000210738_100000210314 [0,1,0,1,0,0|1,0,1]=4 22064 B15R1.1045 CCCCCCOC1CCCCC1CN 34a_100011216029_100000210314 [0,1,0,1,0,0|1,0,1]=4 22065 B15R1.1045 CCCCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210314 [0,1,0,1,0,0|2,0,0]=4 22066 B15R1.1045 CCCCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210314 [0,1,0,1,0,0|2,0,0]=4 22067 B15R1.1045 CCCCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210314 [0,1,0,1,0,0|2,0,0]=4 22068 B15R1.1045 CCN1CCCCC1CNCCCC=O 2230a_100000754393_200011292268 [0,1,0,1,0,0|1,0,0]=3 22069 B15R1.1045 CCN1CCCCC1COCCCC=O 7a_100000225091_200011292268 [0,1,0,1,0,0|1,0,0]=3 22070 B15R1.1045 CC[C@H]1COCCN1CCCCCC=O 2230a_100016988097_100000139337 [0,1,0,1,0,0|1,0,0]=3 22071 B15R1.1045 CC[C@H]1COCCN1CCCCCC=O 269982a_100016988097_100000139337 [0,1,0,1,0,0|1,0,0]=3 22072 B15R1.1045 CO[C@H]1CCCC[C@@H]1OCCCCC=O 7a_200009815850_100000139335 [0,1,0,1,0,0|1,0,0]=3 22073 B15R1.1045 O=CCCCCCN1CCCCC1CO 2230a_100000210821_100000139337 [0,1,0,1,0,0|1,0,0]=3 22074 B15R1.1045 O=CCCCCCN1CCCCC1CO 269982a_100000210821_100000139337 [0,1,0,1,0,0|1,0,0]=3 22075 B15R1.1045 O=CCCCCCN1CCOC[C@H]1CO 2230a_100000717676_100000139337 [0,1,0,1,0,0|2,0,0]=4 22076 B15R1.1045 O=CCCCCCN1CCOC[C@H]1CO 269982a_100000717676_100000139337 [0,1,0,1,0,0|2,0,0]=4 22077 B15R1.1045 O=CCCCCNC1CCOCC1CO 2230a_214813039666_100000139335 [0,1,0,1,0,0|2,0,0]=4 22078 B15R1.1045 O=CCNCCCN1CCCCC1CO 34a_200011473794_200009817547 [0,1,0,1,0,0|2,0,0]=4 22079 B15R1.1137 CNC1CCCCCCCCCCC1=O 2230a_106832991635_200009990614 [0,1,0,1,0,0|0,0,0]=2 22080 B15R1.1137 CNC1CCCCCCCCCCC1=O 34a_100102657272_200009990614 [0,1,0,1,0,0|0,0,0]=2 22081 B15R1.1137 CNC1CCCCCCCCCCC1=O 7a_106832991635_200009990614 [0,1,0,1,0,0|0,0,0]=2 22082 B15R1.1137 COC1CCCCCCCCCCC1=O 34a_100138415774_200009990614 [0,1,0,1,0,0|0,0,0]=2 22083 B15R1.1137 CSC1CCCCCCCCCCC1=O 62a_200000210301_200009990614 [0,1,0,1,0,0|0,0,0]=2 22084 B15R1.1137 CSC1CCCCCCCCCCC1=O 62a_200009990614_200000210301 [0,1,0,1,0,0|0,0,0]=2 22085 B15R1.1137 [13CH3]SC1CCCCCCCCCCC1=O 62a_200009990614_200025704644 [0,1,0,1,0,0|0,0,0]=2 22086 B15R1.1137 [13CH3]SC1CCCCCCCCCCC1=O 62a_200025704644_200009990614 [0,1,0,1,0,0|0,0,0]=2 22087 B15R1.1189 C=CCCCN1CCCCC1CCCO 2230a_100011934581_100011713584 [0,1,0,1,0,0|2,0,0]=4 22088 B15R1.1189 C=CCCCN1CCCCC1CCCO 269982a_100011934581_100000757094 [0,1,0,1,0,0|2,0,0]=4 22089 B15R1.1189 C=CCCCN1CCCCC1CCCO 34a_100011934581_100000757094 [0,1,0,1,0,0|2,0,0]=4 22090 B15R1.1189 C=CCCCN1CCCCC1CCOC 2230a_100015186528_100011713584 [0,1,0,1,0,0|2,0,0]=4 22091 B15R1.1189 C=CCCCN1CCCCC1CCOC 269982a_100015186528_100000757094 [0,1,0,1,0,0|2,0,0]=4 22092 B15R1.1189 C=CCCCN1CCCCC1CCOC 34a_100015186528_100000757094 [0,1,0,1,0,0|2,0,0]=4 22093 B15R1.1189 C=CCCN1CCCCC1CCCOC 2230a_100011804088_100000754431 [0,1,0,1,0,0|2,0,0]=4 22094 B15R1.1189 C=CCCN1CCCCC1CCCOC 269982a_100011804088_100000754431 [0,1,0,1,0,0|2,0,0]=4 22095 B15R1.1189 C=CCCN1CCCCC1CCCOC 34a_100011804088_100000754431 [0,1,0,1,0,0|2,0,0]=4 22096 B15R1.1189 CCCCCN1CCCCC1CCCO 2230a_100011934581_100000210326 [0,1,0,1,0,0|0,0,2]=4 22097 B15R1.1189 CCCCCN1CCCCC1CCCO 269982a_100011934581_100000210215 [0,1,0,1,0,0|0,0,2]=4 22098 B15R1.1189 CCCCCN1CCCCC1CCCO 34a_100011934581_100000718602 [0,1,0,1,0,0|0,0,2]=4 22099 B15R1.1189 CCCCCN1CCCCC1CCOC 2230a_100015186528_100000210326 [0,1,0,1,0,0|2,0,0]=4 22100 B15R1.1189 CCCCCN1CCCCC1CCOC 269982a_100015186528_100000210215 [0,1,0,1,0,0|2,0,0]=4 22101 B15R1.1189 CCCCCN1CCCCC1CCOC 34a_100015186528_100000718602 [0,1,0,1,0,0|2,0,0]=4 22102 B15R1.1189 CCCCN1CCCCC1CCCOC 2230a_100011804088_100000210211 [0,1,0,1,0,0|2,0,0]=4 22103 B15R1.1189 CCCCN1CCCCC1CCCOC 269982a_100011804088_100000210211 [0,1,0,1,0,0|2,0,0]=4 22104 B15R1.1189 CCCCN1CCCCC1CCCOC 34a_100011804088_100000210210 [0,1,0,1,0,0|2,0,0]=4 22105 B15R1.1189 CCCCNC1CCCCC1CCC#N 270004a_100000102301_100000034616 [0,1,0,1,0,0|1,0,1]=4 22106 B15R1.1189 COCCC1CCCCN1CCCC=O 2230a_100015186528_200011292268 [0,1,0,1,0,0|1,0,0]=3 22107 B15R1.1189 COCCC1CCCCN1CCCC=O 269982a_100015186528_200011292268 [0,1,0,1,0,0|1,0,0]=3 22108 B15R1.1189 NCCCN1CCCCC1COCC=O 34a_200011473794_200009817547 [0,1,0,1,0,0|2,0,0]=4 22109 B15R1.1189 O=CCCCN1CCCCC1CCCO 2230a_100011934581_200011292268 [0,1,0,1,0,0|1,0,0]=3 22110 B15R1.1189 O=CCCCN1CCCCC1CCCO 269982a_100011934581_200011292268 [0,1,0,1,0,0|1,0,0]=3 22111 B15R1.1202 C=CCCNC1CCCC1CCCCC 269862a_100015191253_200000198059 [0,1,0,1,0,0|1,0,0]=3 22112 B15R1.1202 C=CCCNC1CCCC1CCCCC 270004a_100015191253_200000198059 [0,1,0,1,0,0|1,0,0]=3 22113 B15R1.1202 CCCCCC1CCCC1NCCC#N 270004a_100000720768_200000198059 [0,1,0,1,0,0|1,0,1]=4 22114 B15R1.1202 CCCCCC1CCCC1NCCCC 269862a_100000102301_200000198059 [0,1,0,1,0,0|1,0,1]=4 22115 B15R1.1202 CCCCCC1CCCC1NCCCC 270004a_100000102301_200000198059 [0,1,0,1,0,0|1,0,1]=4 22116 B15R1.1202 CCCCCC1CCCC1NCCCF 269862a_100015189416_200000198059 [0,1,0,1,0,0|1,0,1]=4 22117 B15R1.1202 CCCCCC1CCCC1NCCCF 270004a_100015189416_200000198059 [0,1,0,1,0,0|1,0,1]=4 22118 B15R1.1202 CCCCCC1CCCC1NCCCO 269862a_100000182051_200000198059 [0,1,0,1,0,0|0,0,2]=4 22119 B15R1.1202 CCCCCC1CCCC1NCCCO 270004a_100000182051_200000198059 [0,1,0,1,0,0|0,0,2]=4 22120 B15R1.1202 CCCCCC1CCCC1NCCOC 269862a_100000209980_200000198059 [0,1,0,1,0,0|2,0,0]=4 22121 B15R1.1202 CCCCCC1CCCC1NCCOC 270004a_100000209980_200000198059 [0,1,0,1,0,0|2,0,0]=4 22122 B15R1.1202 CCCCCC1CCCC1NCCSC 269862a_100020590264_200000198059 [0,1,0,1,0,0|2,0,0]=4 22123 B15R1.1202 CCCCCC1CCCC1NCCSC 270004a_100020590264_200000198059 [0,1,0,1,0,0|2,0,0]=4 22124 B15R1.1948 C=CCCCCCN1CCC[C@H]1COC 2230a_100020646714_100000700193 [0,1,0,1,0,0|2,0,0]=4 22125 B15R1.1948 C=CCCCCCN1CCC[C@H]1COC 269982a_100020646714_100000700193 [0,1,0,1,0,0|2,0,0]=4 22126 B15R1.1948 C=CCCCCCN1CCC[C@H]1COC 34a_100020646714_100000700193 [0,1,0,1,0,0|2,0,0]=4 22127 B15R1.1948 C=CCCCCNC1CCCC1CCC 269862a_100000703577_100000723119 [0,1,0,1,0,0|1,0,0]=3 22128 B15R1.1948 C=CCCCCNC1CCCC1CCC 270004a_100000703577_100000723119 [0,1,0,1,0,0|1,0,0]=3 22129 B15R1.1948 C=CCCCOCC1CCCN1CCC 34a_200000694710_100000757094 [0,1,0,1,0,0|2,0,0]=4 22130 B15R1.1948 C=CCCCOCC1CCCN1CCC 7a_200000694710_100000757094 [0,1,0,1,0,0|2,0,0]=4 22131 B15R1.1948 C=COCCCNC1CCCC1CCC 269862a_100000210767_100000723119 [0,1,0,1,0,0|2,0,0]=4 22132 B15R1.1948 C=COCCCNC1CCCC1CCC 270004a_100000210767_100000723119 [0,1,0,1,0,0|2,0,0]=4 22133 B15R1.1948 CCCC1CCCC1NCCCCC#N 270004a_100000751965_100000723119 [0,1,0,1,0,0|1,0,1]=4 22134 B15R1.1948 CCCC1CCCC1NCCCCCO 269862a_100000762737_100000723119 [0,1,0,1,0,0|0,0,2]=4 22135 B15R1.1948 CCCC1CCCC1NCCCCCO 270004a_100000762737_100000723119 [0,1,0,1,0,0|0,0,2]=4 22136 B15R1.1948 CCCCCCCC1CCCC1NCC 269862a_100015525214_200011216720 [0,1,0,1,0,0|1,0,1]=4 22137 B15R1.1948 CCCCCCCC1CCCC1NCC 270004a_100015525214_200011216720 [0,1,0,1,0,0|1,0,1]=4 22138 B15R1.1948 CCCCCCCN1CCC[C@H]1COC 2230a_100020646714_100000210681 [0,1,0,1,0,0|2,0,0]=4 22139 B15R1.1948 CCCCCCCN1CCC[C@H]1COC 269982a_100020646714_100000210681 [0,1,0,1,0,0|2,0,0]=4 22140 B15R1.1948 CCCCCCCN1CCC[C@H]1COC 34a_100020646714_100000210614 [0,1,0,1,0,0|2,0,0]=4 22141 B15R1.1948 CCCCCCNC1CCCC1CCC 269862a_100000210581_100000723119 [0,1,0,1,0,0|1,0,1]=4 22142 B15R1.1948 CCCCCCNC1CCCC1CCC 270004a_100000210581_100000723119 [0,1,0,1,0,0|1,0,1]=4 22143 B15R1.1948 CCCN1CCCC1COCCCC=O 7a_200000694710_200011292268 [0,1,0,1,0,0|1,0,0]=3 22144 B15R1.1948 COC[C@@H]1CCCN1CCCCCC=O 2230a_100020646714_100000139337 [0,1,0,1,0,0|1,0,0]=3 22145 B15R1.1948 COC[C@@H]1CCCN1CCCCCC=O 269982a_100020646714_100000139337 [0,1,0,1,0,0|1,0,0]=3 22146 B15R1.3515 C#CCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100153394163 [0,1,0,1,0,0|1,0,1]=4 22147 B15R1.3515 C#CCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100153394163 [0,1,0,1,0,0|1,0,1]=4 22148 B15R1.3515 C#CCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100153394163 [0,1,0,1,0,0|1,0,1]=4 22149 B15R1.3515 C#CCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100153394163 [0,1,0,1,0,0|1,0,1]=4 22150 B15R1.3515 C#CCCCCCCCN1CCC[C@H]1C 34a_100015189458_100153394163 [0,1,0,1,0,0|1,0,1]=4 22151 B15R1.3515 C#CCCCCCCOC1CCCC1=O 34a_100011217361_100000709159 [0,1,0,1,0,0|0,0,2]=4 22152 B15R1.3515 C#CCCCCCCOC1CCCC1=O 34a_200000719330_100012276617 [0,1,0,1,0,0|0,0,2]=4 22153 B15R1.3515 C#CCCCCCCOC1CCCC1=O 7a_100011217361_100000211823 [0,1,0,1,0,0|0,0,2]=4 22154 B15R1.3515 C#CCCCCCCOC1CCCC1C 34a_100011216460_100012276617 [0,1,0,1,0,0|1,0,1]=4 22155 B15R1.3515 C#CCCCCCCOC1CCCC1C 7a_100011216460_100012276617 [0,1,0,1,0,0|1,0,1]=4 22156 B15R1.3515 C#CCCCCCCSC1CCCC1=O 62a_100000211823_100012276617 [0,1,0,1,0,0|0,0,2]=4 22157 B15R1.3515 C#CCCCCCCSC1CCCC1=O 62a_100012276617_100000211823 [0,1,0,1,0,0|0,0,2]=4 22158 B15R1.3515 C=CCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100012355270 [0,1,0,1,0,0|1,0,0]=3 22159 B15R1.3515 C=CCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100012355270 [0,1,0,1,0,0|1,0,0]=3 22160 B15R1.3515 C=CCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100012355270 [0,1,0,1,0,0|1,0,0]=3 22161 B15R1.3515 C=CCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100012355270 [0,1,0,1,0,0|1,0,0]=3 22162 B15R1.3515 C=CCCCCCCCN1CCC[C@H]1C 34a_100015189458_100012355270 [0,1,0,1,0,0|1,0,0]=3 22163 B15R1.3515 C=CCCCCCCCN1CCSC1C 2230a_200011216479_100012355270 [0,1,0,1,0,0|2,0,0]=4 22164 B15R1.3515 C=CCCCCCCCN1CCSC1C 269982a_200011216479_100012355270 [0,1,0,1,0,0|2,0,0]=4 22165 B15R1.3515 C=CCCCCCCCN1CCSC1C 34a_200011216479_100012355270 [0,1,0,1,0,0|2,0,0]=4 22166 B15R1.3515 C=CCCCCCCOC1CCCC1=O 34a_200000719330_100011215473 [0,1,0,1,0,0|0,0,2]=4 22167 B15R1.3515 C=CCCCCCCOC1CCCC1=O 34a_200011216477_100000709159 [0,1,0,1,0,0|0,0,2]=4 22168 B15R1.3515 C=CCCCCCCOC1CCCC1=O 7a_200011216477_100000211823 [0,1,0,1,0,0|0,0,2]=4 22169 B15R1.3515 C=CCCCCCCOC1CCCC1C 34a_100011216460_100011215473 [0,1,0,1,0,0|1,0,0]=3 22170 B15R1.3515 C=CCCCCCCOC1CCCC1C 7a_100011216460_100011215473 [0,1,0,1,0,0|1,0,0]=3 22171 B15R1.3515 C=CCCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011215473 [0,1,0,1,0,0|2,0,0]=4 22172 B15R1.3515 C=CCCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011215473 [0,1,0,1,0,0|2,0,0]=4 22173 B15R1.3515 C=CCCCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100011215473 [0,1,0,1,0,0|2,0,0]=4 22174 B15R1.3515 C=CCCCCCCSC1CCCC1=O 62a_100000211823_100011215473 [0,1,0,1,0,0|0,0,2]=4 22175 B15R1.3515 C=CCCCCCCSC1CCCC1=O 62a_100011215473_100000211823 [0,1,0,1,0,0|0,0,2]=4 22176 B15R1.3515 C=CCCCCCCS[C@@H]1CCC[C@H]1O 62a_100011215473_200016002552 [0,1,0,1,0,0|2,0,0]=4 22177 B15R1.3515 C=CCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215473 [0,1,0,1,0,0|2,0,0]=4 22178 B15R1.3515 C=CCCCCCOCC1CCCN1C 34a_100000743107_100000700193 [0,1,0,1,0,0|2,0,0]=4 22179 B15R1.3515 C=CCCCCNCCC1CCCN1C 2230a_100000703577_100000005710 [0,1,0,1,0,0|2,0,0]=4 22180 B15R1.3515 C=CCCCCNCCC1CCCN1C 34a_100000703577_100000005710 [0,1,0,1,0,0|2,0,0]=4 22181 B15R1.3515 C=CCCCCOCCC1CCCN1C 34a_100000766645_100000005710 [0,1,0,1,0,0|2,0,0]=4 22182 B15R1.3515 C=CCCCCOCCC1CCCN1C 34a_100011215177_100011215482 [0,1,0,1,0,0|2,0,0]=4 22183 B15R1.3515 C=CCCCCOCCC1CCCN1C 7a_100000766645_100000005710 [0,1,0,1,0,0|2,0,0]=4 22184 B15R1.3515 C=CCCCCOCCC1CCCN1C 7a_100011215177_100011215482 [0,1,0,1,0,0|2,0,0]=4 22185 B15R1.3515 C=CCCCCSCCC1CCCN1C 62a_100000005710_100011215482 [0,1,0,1,0,0|2,0,0]=4 22186 B15R1.3515 C=CCCCCSCCC1CCCN1C 62a_100011215482_100000005710 [0,1,0,1,0,0|2,0,0]=4 22187 B15R1.3515 CC/C=C\CCCCOC1CCCC1=O 34a_100016287862_100000709159 [0,1,0,1,0,0|0,0,2]=4 22188 B15R1.3515 CC/C=C\CCCCOC1CCCC1=O 7a_100016287862_100000211823 [0,1,0,1,0,0|0,0,2]=4 22189 B15R1.3515 CC1CCCC1NCCCCCCCO 269862a_100011996573_100000752053 [0,1,0,1,0,0|0,0,2]=4 22190 B15R1.3515 CC1CCCC1OCCCCCCC#N 7a_100011216460_100009813337 [0,1,0,1,0,0|1,0,1]=4 22191 B15R1.3515 CC1CCCC1OCCCCCCCO 34a_100011216460_100000760002 [0,1,0,1,0,0|0,0,2]=4 22192 B15R1.3515 CC1CCCC1OCCCCCCCO 7a_100011216460_100000760002 [0,1,0,1,0,0|0,0,2]=4 22193 B15R1.3515 CCCC/C=C\CCOC1CCCC1=O 34a_200016286491_100000709159 [0,1,0,1,0,0|0,0,2]=4 22194 B15R1.3515 CCCC/C=C\CCOC1CCCC1=O 7a_200016286491_100000211823 [0,1,0,1,0,0|0,0,2]=4 22195 B15R1.3515 CCCCC#CCCOC1CCCC1=O 34a_100000037610_100000709159 [0,1,0,1,0,0|0,0,2]=4 22196 B15R1.3515 CCCCC#CCCOC1CCCC1=O 7a_100000037610_100000211823 [0,1,0,1,0,0|0,0,2]=4 22197 B15R1.3515 CCCCC/C=C/COC1CCCC1=O 34a_100016258190_100000709159 [0,1,0,1,0,0|0,0,2]=4 22198 B15R1.3515 CCCCC/C=C/COC1CCCC1=O 7a_100016258190_100000211823 [0,1,0,1,0,0|0,0,2]=4 22199 B15R1.3515 CCCCCC#CCOC1CCCC1=O 34a_200000033628_100000709159 [0,1,0,1,0,0|0,0,2]=4 22200 B15R1.3515 CCCCCC#CCOC1CCCC1=O 34a_200000719330_100009816472 [0,1,0,1,0,0|0,0,2]=4 22201 B15R1.3515 CCCCCC#CCOC1CCCC1=O 7a_200000033628_100000211823 [0,1,0,1,0,0|0,0,2]=4 22202 B15R1.3515 CCCCCC#CCSC1CCCC1=O 62a_100000211823_100009816472 [0,1,0,1,0,0|0,0,2]=4 22203 B15R1.3515 CCCCCC#CCSC1CCCC1=O 62a_100009816472_100000211823 [0,1,0,1,0,0|0,0,2]=4 22204 B15R1.3515 CCCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011214924 [0,1,0,1,0,0|1,0,1]=4 22205 B15R1.3515 CCCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210670 [0,1,0,1,0,0|1,0,1]=4 22206 B15R1.3515 CCCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011214924 [0,1,0,1,0,0|1,0,1]=4 22207 B15R1.3515 CCCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210670 [0,1,0,1,0,0|1,0,1]=4 22208 B15R1.3515 CCCCCCCCCN1CCC[C@H]1C 34a_100015189458_100011214924 [0,1,0,1,0,0|1,0,1]=4 22209 B15R1.3515 CCCCCCCCNC1CCCC1=O 2230a_100000229939_100000211823 [0,1,0,1,0,0|0,0,0]=2 22210 B15R1.3515 CCCCCCCCNC1CCCC1=O 34a_100000229939_100000709159 [0,1,0,1,0,0|0,0,0]=2 22211 B15R1.3515 CCCCCCCCNC1CCCC1C 269862a_100000229939_100000752053 [0,1,0,1,0,0|1,0,1]=4 22212 B15R1.3515 CCCCCCCCNC1CCNC1=O 2230a_100016995588_100000210759 [0,1,0,1,0,0|1,0,0]=3 22213 B15R1.3515 CCCCCCCCNC1CCNC1=O 34a_100016995588_100000210759 [0,1,0,1,0,0|1,0,0]=3 22214 B15R1.3515 CCCCCCCCNC1CCOC1=O 2230a_100000229939_100000211211 [0,1,0,1,0,0|1,0,0]=3 22215 B15R1.3515 CCCCCCCCNC1CCOC1=O 34a_100000229939_100000211211 [0,1,0,1,0,0|1,0,0]=3 22216 B15R1.3515 CCCCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210759 [0,1,0,1,0,0|2,0,0]=4 22217 B15R1.3515 CCCCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210759 [0,1,0,1,0,0|2,0,0]=4 22218 B15R1.3515 CCCCCCCCOC1CCCC1=O 34a_100000210232_100000709159 [0,1,0,1,0,0|0,0,0]=2 22219 B15R1.3515 CCCCCCCCOC1CCCC1=O 34a_200000719330_100000210759 [0,1,0,1,0,0|0,0,0]=2 22220 B15R1.3515 CCCCCCCCOC1CCCC1=O 7a_100000210232_100000211823 [0,1,0,1,0,0|0,0,0]=2 22221 B15R1.3515 CCCCCCCCOC1CCCC1C 34a_100011216460_100000210759 [0,1,0,1,0,0|1,0,1]=4 22222 B15R1.3515 CCCCCCCCOC1CCCC1C 7a_100011216460_100000210759 [0,1,0,1,0,0|1,0,1]=4 22223 B15R1.3515 CCCCCCCCOC1CCOC1=O 34a_100000210232_100000211211 [0,1,0,1,0,0|1,0,0]=3 22224 B15R1.3515 CCCCCCCCOC1CCOC1=O 7a_100000210232_100000211211 [0,1,0,1,0,0|1,0,0]=3 22225 B15R1.3515 CCCCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210759 [0,1,0,1,0,0|1,0,1]=4 22226 B15R1.3515 CCCCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210759 [0,1,0,1,0,0|1,0,1]=4 22227 B15R1.3515 CCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210759 [0,1,0,1,0,0|1,0,0]=3 22228 B15R1.3515 CCCCCCCCSC1CCCC1=O 62a_100000210759_100000211823 [0,1,0,1,0,0|0,0,0]=2 22229 B15R1.3515 CCCCCCCCSC1CCCC1=O 62a_100000211823_100000210317 [0,1,0,1,0,0|0,0,0]=2 22230 B15R1.3515 CCCCCCCCSC1CCOC1=O 62a_100000210759_100000211211 [0,1,0,1,0,0|1,0,0]=3 22231 B15R1.3515 CCCCCCCCSC1CCOC1=O 62a_100000211211_100000210317 [0,1,0,1,0,0|1,0,0]=3 22232 B15R1.3515 CCCCCCCCS[C@@H]1CCC[C@H]1O 62a_100000210759_200016002552 [0,1,0,1,0,0|0,0,2]=4 22233 B15R1.3515 CCCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210317 [0,1,0,1,0,0|0,0,2]=4 22234 B15R1.3515 CCCCCCCOCC1=CCCC1=O 34a_100000087531_100000210614 [0,1,0,1,0,0|0,0,2]=4 22235 B15R1.3515 CCCCCCCOCC1CCCN1C 34a_100000743107_100000210614 [0,1,0,1,0,0|2,0,0]=4 22236 B15R1.3515 CCCCCCCOCC1CCNC1=O 34a_100000133458_100000210614 [0,1,0,1,0,0|1,0,0]=3 22237 B15R1.3515 CCCCCCCSCN1CCCC1=O 62a_100000026320_100000210316 [0,1,0,1,0,0|1,0,0]=3 22238 B15R1.3515 CCCCCCCSCN1CCCC1=O 62a_100000210614_100000026320 [0,1,0,1,0,0|1,0,0]=3 22239 B15R1.3515 CCCCCCNCCC1CCCN1C 2230a_100000210581_100000005710 [0,1,0,1,0,0|2,0,0]=4 22240 B15R1.3515 CCCCCCNCCN1CCCC1=O 2230a_100000210581_100000739059 [0,1,0,1,0,0|1,0,0]=3 22241 B15R1.3515 CCCCCCNCCN1CCCC1=O 2230a_100011200922_100000210314 [0,1,0,1,0,0|1,0,0]=3 22242 B15R1.3515 CCCCCCNCCN1CCNC1=O 2230a_100000210581_100000090651 [0,1,0,1,0,0|2,0,0]=4 22243 B15R1.3515 CCCCCCNCCN1CCNC1=O 2230a_100011207550_100000210314 [0,1,0,1,0,0|2,0,0]=4 22244 B15R1.3515 CCCCCCOCCC1CCCN1C 34a_100000210259_100000005710 [0,1,0,1,0,0|2,0,0]=4 22245 B15R1.3515 CCCCCCOCCC1CCCN1C 34a_100011215177_100000210314 [0,1,0,1,0,0|2,0,0]=4 22246 B15R1.3515 CCCCCCOCCC1CCCN1C 7a_100000210259_100000005710 [0,1,0,1,0,0|2,0,0]=4 22247 B15R1.3515 CCCCCCOCCC1CCCN1C 7a_100011215177_100000210314 [0,1,0,1,0,0|2,0,0]=4 22248 B15R1.3515 CCCCCCOCCN1CCCC1=O 34a_100000210259_100000739059 [0,1,0,1,0,0|1,0,0]=3 22249 B15R1.3515 CCCCCCOCCN1CCCC1=O 34a_100000211209_100000210314 [0,1,0,1,0,0|1,0,0]=3 22250 B15R1.3515 CCCCCCOCCN1CCCC1=O 7a_100000210259_100000739059 [0,1,0,1,0,0|1,0,0]=3 22251 B15R1.3515 CCCCCCOCCN1CCCC1=O 7a_100000211209_100000210314 [0,1,0,1,0,0|1,0,0]=3 22252 B15R1.3515 CCCCCCOCCN1CCNC1=O 34a_100000216532_100000210314 [0,1,0,1,0,0|2,0,0]=4 22253 B15R1.3515 CCCCCCOCCN1CCNC1=O 7a_100000210259_100000090651 [0,1,0,1,0,0|2,0,0]=4 22254 B15R1.3515 CCCCCCSCCC1CCCN1C 62a_100000005710_100000210757 [0,1,0,1,0,0|2,0,0]=4 22255 B15R1.3515 CCCCCCSCCC1CCCN1C 62a_100000210314_100000005710 [0,1,0,1,0,0|2,0,0]=4 22256 B15R1.3515 CCCCCCSCCN1CCCC1=O 62a_100000210314_100000739059 [0,1,0,1,0,0|1,0,0]=3 22257 B15R1.3515 CCCCCCSCCN1CCCC1=O 62a_100000739059_100000210757 [0,1,0,1,0,0|1,0,0]=3 22258 B15R1.3515 CCCCCCSCCN1CCNC1=O 62a_100000090651_100000210757 [0,1,0,1,0,0|2,0,0]=4 22259 B15R1.3515 CCCCCCSCCN1CCNC1=O 62a_100000210314_100000090651 [0,1,0,1,0,0|2,0,0]=4 22260 B15R1.3515 CCCCCNCCCN1CCCC1=O 2230a_100000210347_100000210326 [0,1,0,1,0,0|1,0,0]=3 22261 B15R1.3515 CCCCCNCCCN1CCCC1=O 34a_100000210347_100000718602 [0,1,0,1,0,0|1,0,0]=3 22262 B15R1.3515 CCCCCNCCOC1CCCC1=O 34a_100000224656_100000709159 [0,1,0,1,0,0|1,0,0]=3 22263 B15R1.3515 CCCCCNCCOC1CCOC1=O 34a_100000224656_100000211211 [0,1,0,1,0,0|2,0,0]=4 22264 B15R1.3515 CCCCCOCCCN1CCCC1=O 34a_100011216539_100000718602 [0,1,0,1,0,0|1,0,0]=3 22265 B15R1.3515 CCCCCOCCCN1CCCC1=O 7a_100011216539_100000210326 [0,1,0,1,0,0|1,0,0]=3 22266 B15R1.3515 CCCCCOCCOC1CCCC1=O 34a_100011215259_100000709159 [0,1,0,1,0,0|1,0,0]=3 22267 B15R1.3515 CCCCCOCCOC1CCCC1=O 7a_100011215259_100000211823 [0,1,0,1,0,0|1,0,0]=3 22268 B15R1.3515 CCCCCOCCOC1CCOC1=O 34a_100011215259_100000211211 [0,1,0,1,0,0|2,0,0]=4 22269 B15R1.3515 CCCCCOCCOC1CCOC1=O 7a_100011215259_100000211211 [0,1,0,1,0,0|2,0,0]=4 22270 B15R1.3515 CCCCOCCCNC1CCCC1=O 2230a_200000211371_100000211823 [0,1,0,1,0,0|1,0,0]=3 22271 B15R1.3515 CCCCOCCCNC1CCCC1=O 34a_200000211371_100000709159 [0,1,0,1,0,0|1,0,0]=3 22272 B15R1.3515 CCCCOCCCNC1CCOC1=O 2230a_200000211371_100000211211 [0,1,0,1,0,0|2,0,0]=4 22273 B15R1.3515 CCCCOCCCNC1CCOC1=O 34a_200000211371_100000211211 [0,1,0,1,0,0|2,0,0]=4 22274 B15R1.3515 CCCCOCCCOC1CCCC1=O 34a_200011215613_100000709159 [0,1,0,1,0,0|1,0,0]=3 22275 B15R1.3515 CCCCOCCCOC1CCCC1=O 7a_200011215613_100000211823 [0,1,0,1,0,0|1,0,0]=3 22276 B15R1.3515 CCCCOCCCOC1CCOC1=O 34a_200011215613_100000211211 [0,1,0,1,0,0|2,0,0]=4 22277 B15R1.3515 CCCCOCCCOC1CCOC1=O 7a_200011215613_100000211211 [0,1,0,1,0,0|2,0,0]=4 22278 B15R1.3515 CCCCOCCOCC1CCNC1=O 34a_100000133458_100000743108 [0,1,0,1,0,0|2,0,0]=4 22279 B15R1.3515 CCCCOCCSCN1CCCC1=O 62a_100000026320_100000743108 [0,1,0,1,0,0|2,0,0]=4 22280 B15R1.3515 CCCCOCCSCN1CCCC1=O 62a_100000743108_100000026320 [0,1,0,1,0,0|2,0,0]=4 22281 B15R1.3515 CCCCOCNCCN1CCCC1=O 2230a_100011200922_100011995733 [0,1,0,1,0,0|2,0,0]=4 22282 B15R1.3515 CCCCOCOCCN1CCCC1=O 34a_100000211209_100011995733 [0,1,0,1,0,0|2,0,0]=4 22283 B15R1.3515 CCCCOCSCCN1CCCC1=O 62a_100000739059_100011995733 [0,1,0,1,0,0|2,0,0]=4 22284 B15R1.3515 CCCCOCSCCN1CCCC1=O 62a_100011995733_100000739059 [0,1,0,1,0,0|2,0,0]=4 22285 B15R1.3515 CCCOCCNCCN1CCCC1=O 2230a_100011200922_100011215938 [0,1,0,1,0,0|2,0,0]=4 22286 B15R1.3515 CCCOCCNCCN1CCCC1=O 2230a_100161115042_100000739059 [0,1,0,1,0,0|2,0,0]=4 22287 B15R1.3515 CCCOCCNCCN1CCCC1=O 34a_100161115042_100000739059 [0,1,0,1,0,0|2,0,0]=4 22288 B15R1.3515 CCCOCCOCCN1CCCC1=O 34a_100000211209_100011215938 [0,1,0,1,0,0|2,0,0]=4 22289 B15R1.3515 CCCOCCOCCN1CCCC1=O 34a_100000752267_100000739059 [0,1,0,1,0,0|2,0,0]=4 22290 B15R1.3515 CCCOCCOCCN1CCCC1=O 7a_100000211209_100011215938 [0,1,0,1,0,0|2,0,0]=4 22291 B15R1.3515 CCCOCCOCCN1CCCC1=O 7a_100000752267_100000739059 [0,1,0,1,0,0|2,0,0]=4 22292 B15R1.3515 CCCOCCSCCN1CCCC1=O 62a_100000739059_100011215938 [0,1,0,1,0,0|2,0,0]=4 22293 B15R1.3515 CCCOCCSCCN1CCCC1=O 62a_100011215938_100000739059 [0,1,0,1,0,0|2,0,0]=4 22294 B15R1.3515 CCCSCCNCCN1CCCC1=O 2230a_100020603323_100000739059 [0,1,0,1,0,0|2,0,0]=4 22295 B15R1.3515 CCCSCCOCCN1CCCC1=O 34a_200000230433_100000739059 [0,1,0,1,0,0|2,0,0]=4 22296 B15R1.3515 CCCSCCOCCN1CCCC1=O 7a_200000230433_100000739059 [0,1,0,1,0,0|2,0,0]=4 22297 B15R1.3515 CCOCCCNCCN1CCCC1=O 2230a_100000210961_100000739059 [0,1,0,1,0,0|2,0,0]=4 22298 B15R1.3515 CCOCCCNCCN1CCCC1=O 2230a_100011200922_100012232248 [0,1,0,1,0,0|2,0,0]=4 22299 B15R1.3515 CCOCCCNCCN1CCCC1=O 34a_100000210961_100000739059 [0,1,0,1,0,0|2,0,0]=4 22300 B15R1.3515 CCOCCCOCCN1CCCC1=O 34a_100000211209_100012232248 [0,1,0,1,0,0|2,0,0]=4 22301 B15R1.3515 CCOCCCOCCN1CCCC1=O 34a_100000757476_100000739059 [0,1,0,1,0,0|2,0,0]=4 22302 B15R1.3515 CCOCCCOCCN1CCCC1=O 7a_100000211209_100012232248 [0,1,0,1,0,0|2,0,0]=4 22303 B15R1.3515 CCOCCCOCCN1CCCC1=O 7a_100000757476_100000739059 [0,1,0,1,0,0|2,0,0]=4 22304 B15R1.3515 CCOCCCSCCN1CCCC1=O 62a_100000739059_100012232248 [0,1,0,1,0,0|2,0,0]=4 22305 B15R1.3515 CCOCCCSCCN1CCCC1=O 62a_100012232248_100000739059 [0,1,0,1,0,0|2,0,0]=4 22306 B15R1.3515 CCOCCNCCCN1CCCC1=O 2230a_100000210347_100011215890 [0,1,0,1,0,0|2,0,0]=4 22307 B15R1.3515 CCOCCNCCCN1CCCC1=O 34a_100000210347_100000210147 [0,1,0,1,0,0|2,0,0]=4 22308 B15R1.3515 CCOCCOCCCN1CCCC1=O 34a_100011216539_100000210147 [0,1,0,1,0,0|2,0,0]=4 22309 B15R1.3515 CCOCCOCCCN1CCCC1=O 7a_100011216539_100011215890 [0,1,0,1,0,0|2,0,0]=4 22310 B15R1.3515 CCOCCOCCNC1CCCC1=O 2230a_100102712874_100000211823 [0,1,0,1,0,0|2,0,0]=4 22311 B15R1.3515 CCOCCOCCNC1CCCC1=O 34a_100102712874_100000709159 [0,1,0,1,0,0|2,0,0]=4 22312 B15R1.3515 CCOCCOCCOC1CCCC1=O 34a_100000210240_100000709159 [0,1,0,1,0,0|2,0,0]=4 22313 B15R1.3515 CCOCCOCCOC1CCCC1=O 34a_200000719330_100011211534 [0,1,0,1,0,0|2,0,0]=4 22314 B15R1.3515 CCOCCOCCOC1CCCC1=O 7a_100000210240_100000211823 [0,1,0,1,0,0|2,0,0]=4 22315 B15R1.3515 CCOCCOCCSC1CCCC1=O 62a_100000211823_100011211534 [0,1,0,1,0,0|2,0,0]=4 22316 B15R1.3515 CCOCCOCCSC1CCCC1=O 62a_100011211534_100000211823 [0,1,0,1,0,0|2,0,0]=4 22317 B15R1.3515 CCSCCCOCCN1CCCC1=O 34a_100011216438_100000739059 [0,1,0,1,0,0|2,0,0]=4 22318 B15R1.3515 CCSCCCOCCN1CCCC1=O 7a_100011216438_100000739059 [0,1,0,1,0,0|2,0,0]=4 22319 B15R1.3515 CCSCCNCCCN1CCCC1=O 2230a_100000210347_100000757381 [0,1,0,1,0,0|2,0,0]=4 22320 B15R1.3515 CCSCCNCCCN1CCCC1=O 34a_100000210347_100000757381 [0,1,0,1,0,0|2,0,0]=4 22321 B15R1.3515 CCSCCOCCCN1CCCC1=O 34a_100011216539_100000757381 [0,1,0,1,0,0|2,0,0]=4 22322 B15R1.3515 CCSCCOCCCN1CCCC1=O 7a_100011216539_100000757381 [0,1,0,1,0,0|2,0,0]=4 22323 B15R1.3515 CN1CCCC1CCOCCCCC=O 7a_100011215177_100000139335 [0,1,0,1,0,0|1,0,0]=3 22324 B15R1.3515 CN1CCCC1CCSCCCCC=O 62a_100000005710_100000139335 [0,1,0,1,0,0|1,0,0]=3 22325 B15R1.3515 CN1CCCC1CCSCCCCC=O 62a_100000139335_100000005710 [0,1,0,1,0,0|1,0,0]=3 22326 B15R1.3515 COCCCCCCNC1CCNC1=O 2230a_100016995588_100011998445 [0,1,0,1,0,0|2,0,0]=4 22327 B15R1.3515 COCCCCCCNC1CCNC1=O 34a_100016995588_100011998445 [0,1,0,1,0,0|2,0,0]=4 22328 B15R1.3515 COCCCCCCOC1CCCC1=O 34a_200000719330_100011998445 [0,1,0,1,0,0|1,0,0]=3 22329 B15R1.3515 COCCCCCCOC1CCCC1=O 34a_200012092642_100000709159 [0,1,0,1,0,0|1,0,0]=3 22330 B15R1.3515 COCCCCCCOC1CCCC1=O 7a_200012092642_100000211823 [0,1,0,1,0,0|1,0,0]=3 22331 B15R1.3515 COCCCCCCOC1CCCC1C 34a_100011216460_100011998445 [0,1,0,1,0,0|2,0,0]=4 22332 B15R1.3515 COCCCCCCOC1CCCC1C 7a_100011216460_100011998445 [0,1,0,1,0,0|2,0,0]=4 22333 B15R1.3515 COCCCCCCOC1CCOC1=O 34a_200012092642_100000211211 [0,1,0,1,0,0|2,0,0]=4 22334 B15R1.3515 COCCCCCCOC1CCOC1=O 7a_200012092642_100000211211 [0,1,0,1,0,0|2,0,0]=4 22335 B15R1.3515 COCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100011998445 [0,1,0,1,0,0|2,0,0]=4 22336 B15R1.3515 COCCCCCCSC1CCCC1=O 62a_100000211823_100011998445 [0,1,0,1,0,0|1,0,0]=3 22337 B15R1.3515 COCCCCCCSC1CCCC1=O 62a_100011998445_100000211823 [0,1,0,1,0,0|1,0,0]=3 22338 B15R1.3515 COCCCCCCSC1CCOC1=O 62a_100000211211_100011998445 [0,1,0,1,0,0|2,0,0]=4 22339 B15R1.3515 COCCCCCCSC1CCOC1=O 62a_100011998445_100000211211 [0,1,0,1,0,0|2,0,0]=4 22340 B15R1.3515 COCCCCNCCN1CCCC1=O 2230a_100011200922_100000730899 [0,1,0,1,0,0|2,0,0]=4 22341 B15R1.3515 COCCCCOCCN1CCCC1=O 34a_100000211209_100000755781 [0,1,0,1,0,0|2,0,0]=4 22342 B15R1.3515 COCCCCOCCN1CCCC1=O 34a_100000740925_100000739059 [0,1,0,1,0,0|2,0,0]=4 22343 B15R1.3515 COCCCCOCCN1CCCC1=O 7a_100000211209_100000730899 [0,1,0,1,0,0|2,0,0]=4 22344 B15R1.3515 COCCCCSCCN1CCCC1=O 62a_100000730899_100000739059 [0,1,0,1,0,0|2,0,0]=4 22345 B15R1.3515 COCCCCSCCN1CCCC1=O 62a_100000739059_100000730899 [0,1,0,1,0,0|2,0,0]=4 22346 B15R1.3515 COCCCNCCCN1CCCC1=O 2230a_100000210347_100000740836 [0,1,0,1,0,0|2,0,0]=4 22347 B15R1.3515 COCCCNCCCN1CCCC1=O 34a_100000210347_100000740836 [0,1,0,1,0,0|2,0,0]=4 22348 B15R1.3515 COCCCOCCCN1CCCC1=O 34a_100011216539_100000740836 [0,1,0,1,0,0|2,0,0]=4 22349 B15R1.3515 COCCCOCCCN1CCCC1=O 7a_100011216539_100000740836 [0,1,0,1,0,0|2,0,0]=4 22350 B15R1.3515 COCCOCCCNC1CCCC1=O 2230a_100000206027_100000211823 [0,1,0,1,0,0|2,0,0]=4 22351 B15R1.3515 COCCOCCCNC1CCCC1=O 34a_100000206027_100000709159 [0,1,0,1,0,0|2,0,0]=4 22352 B15R1.3515 COCCOCCCOC1CCCC1=O 34a_200000719330_100011216529 [0,1,0,1,0,0|2,0,0]=4 22353 B15R1.3515 COCCOCCCSC1CCCC1=O 62a_100000211823_100011216529 [0,1,0,1,0,0|2,0,0]=4 22354 B15R1.3515 COCCOCCCSC1CCCC1=O 62a_100011216529_100000211823 [0,1,0,1,0,0|2,0,0]=4 22355 B15R1.3515 CSCCCCOCCN1CCCC1=O 34a_100011217163_100000739059 [0,1,0,1,0,0|2,0,0]=4 22356 B15R1.3515 CSCCCCOCCN1CCCC1=O 7a_100011217163_100000739059 [0,1,0,1,0,0|2,0,0]=4 22357 B15R1.3515 C[C@@H]1CCCN1CCCCCCCCO 2230a_100015189458_100000033203 [0,1,0,1,0,0|0,0,2]=4 22358 B15R1.3515 C[C@@H]1CCCN1CCCCCCCCO 269982a_100015189458_100000033203 [0,1,0,1,0,0|0,0,2]=4 22359 B15R1.3515 C[C@@H]1CCCN1CCCCCCCCO 34a_100015189458_100000033203 [0,1,0,1,0,0|0,0,2]=4 22360 B15R1.3515 C[C@H]1CCCN1CCCCCCCCO 2230a_100020605311_100000033203 [0,1,0,1,0,0|0,0,2]=4 22361 B15R1.3515 C[C@H]1CCCN1CCCCCCCCO 269982a_100020605311_100000033203 [0,1,0,1,0,0|0,0,2]=4 22362 B15R1.3515 N#CCCCCCCSC1CCCC1=O 62a_100000211823_100009813337 [0,1,0,1,0,0|1,0,1]=4 22363 B15R1.3515 N#CCCCCCCSC1CCCC1=O 62a_100009813337_100000211823 [0,1,0,1,0,0|1,0,1]=4 22364 B15R1.3515 NCCCCCCCOC1CCCC1=O 34a_100011996573_100000709159 [0,1,0,1,0,0|1,0,0]=3 22365 B15R1.3515 NCCCCCCCOC1CCOC1=O 34a_100011996573_100000211211 [0,1,0,1,0,0|2,0,0]=4 22366 B15R1.3515 NCCCCCOCCN1CCCC1=O 34a_100000762737_100000739059 [0,1,0,1,0,0|2,0,0]=4 22367 B15R1.3515 NCCCOCCCOC1CCCC1=O 34a_100011310245_100000709159 [0,1,0,1,0,0|2,0,0]=4 22368 B15R1.3515 O=C1CCCC1NCCCCCCCO 2230a_100011996573_100000211823 [0,1,0,1,0,0|1,0,0]=3 22369 B15R1.3515 O=C1CCCC1NCCCCCCCO 34a_100011996573_100000709159 [0,1,0,1,0,0|1,0,0]=3 22370 B15R1.3515 O=C1CCCC1NCCCOCCCO 2230a_100011310245_100000211823 [0,1,0,1,0,0|2,0,0]=4 22371 B15R1.3515 O=C1CCCC1NCCCOCCCO 34a_100011310245_100000709159 [0,1,0,1,0,0|2,0,0]=4 22372 B15R1.3515 O=C1CCCC1OCCCCCCCBr 34a_100000760002_100000709159 [0,1,0,1,0,0|1,0,0]=3 22373 B15R1.3515 O=C1CCCC1OCCCCCCCBr 7a_100000760002_100000211823 [0,1,0,1,0,0|1,0,0]=3 22374 B15R1.3515 O=C1CCCC1OCCCCCCCO 34a_200000719330_100000760002 [0,1,0,1,0,0|1,0,0]=3 22375 B15R1.3515 O=C1CCCC1SCCCCCCCO 62a_100000211823_100000760002 [0,1,0,1,0,0|1,0,0]=3 22376 B15R1.3515 O=C1CCCC1SCCCCCCCO 62a_100000760002_100000211823 [0,1,0,1,0,0|1,0,0]=3 22377 B15R1.3515 O=C1CCCN1CCCNCCCCF 2230a_100000210347_100000729493 [0,1,0,1,0,0|2,0,0]=4 22378 B15R1.3515 O=C1CCCN1CCCNCCCCF 34a_100000210347_100000729493 [0,1,0,1,0,0|2,0,0]=4 22379 B15R1.3515 O=C1CCCN1CCCNCCCCO 2230a_100000210347_100000210776 [0,1,0,1,0,0|2,0,0]=4 22380 B15R1.3515 O=C1CCCN1CCCNCCCCO 34a_100000210347_100011216708 [0,1,0,1,0,0|2,0,0]=4 22381 B15R1.3515 O=C1CCCN1CCCOCCCCF 34a_100011216539_100000729493 [0,1,0,1,0,0|2,0,0]=4 22382 B15R1.3515 O=C1CCCN1CCCOCCCCF 7a_100011216539_100000729493 [0,1,0,1,0,0|2,0,0]=4 22383 B15R1.3515 O=C1CCCN1CCCOCCCCO 34a_100011216539_100011216708 [0,1,0,1,0,0|2,0,0]=4 22384 B15R1.3515 O=C1CCCN1CCCOCCCCO 7a_100011216539_100000210776 [0,1,0,1,0,0|2,0,0]=4 22385 B15R1.3515 O=C1CCCN1CCNCCCCCF 2230a_100011200922_100000729378 [0,1,0,1,0,0|2,0,0]=4 22386 B15R1.3515 O=C1CCCN1CCNCCCCCO 2230a_100000762737_100000739059 [0,1,0,1,0,0|2,0,0]=4 22387 B15R1.3515 O=C1CCCN1CCNCCCCCO 2230a_100011200922_100000746330 [0,1,0,1,0,0|2,0,0]=4 22388 B15R1.3515 O=C1CCCN1CCNCCCCCO 34a_100000762737_100000739059 [0,1,0,1,0,0|2,0,0]=4 22389 B15R1.3515 O=C1CCCN1CCOCCCCCBr 34a_100000746331_100000739059 [0,1,0,1,0,0|2,0,0]=4 22390 B15R1.3515 O=C1CCCN1CCOCCCCCBr 7a_100000746331_100000739059 [0,1,0,1,0,0|2,0,0]=4 22391 B15R1.3515 O=C1CCCN1CCOCCCCCCl 34a_100000746330_100000739059 [0,1,0,1,0,0|2,0,0]=4 22392 B15R1.3515 O=C1CCCN1CCOCCCCCCl 7a_100000746330_100000739059 [0,1,0,1,0,0|2,0,0]=4 22393 B15R1.3515 O=C1CCCN1CCOCCCCCF 34a_100000211209_100000729378 [0,1,0,1,0,0|2,0,0]=4 22394 B15R1.3515 O=C1CCCN1CCOCCCCCF 7a_100000211209_100000729378 [0,1,0,1,0,0|2,0,0]=4 22395 B15R1.3515 O=C1CCCN1CCOCCCCCI 34a_200012148887_100000739059 [0,1,0,1,0,0|2,0,0]=4 22396 B15R1.3515 O=C1CCCN1CCOCCCCCI 7a_200012148887_100000739059 [0,1,0,1,0,0|2,0,0]=4 22397 B15R1.3515 O=C1CCCN1CCOCCCCCO 34a_100000211209_100000746330 [0,1,0,1,0,0|2,0,0]=4 22398 B15R1.3515 O=C1CCCN1CCOCCCCCO 7a_100000211209_100000746330 [0,1,0,1,0,0|2,0,0]=4 22399 B15R1.3515 O=C1CCCN1CCSCCCCCF 62a_100000729378_100000739059 [0,1,0,1,0,0|2,0,0]=4 22400 B15R1.3515 O=C1CCCN1CCSCCCCCF 62a_100000739059_100000729378 [0,1,0,1,0,0|2,0,0]=4 22401 B15R1.3515 O=C1CCCN1CCSCCCCCO 62a_100000739059_100000746330 [0,1,0,1,0,0|2,0,0]=4 22402 B15R1.3515 O=C1CCCN1CCSCCCCCO 62a_100000746330_100000739059 [0,1,0,1,0,0|2,0,0]=4 22403 B15R1.3515 O=C1CCCN1CSCCCCCCF 62a_100000026320_100015922095 [0,1,0,1,0,0|2,0,0]=4 22404 B15R1.3515 O=C1CCCN1CSCCCCCCF 62a_100015922095_100000026320 [0,1,0,1,0,0|2,0,0]=4 22405 B15R1.3515 O=C1CCCN1CSCCCCCCO 62a_100000026320_100000766143 [0,1,0,1,0,0|2,0,0]=4 22406 B15R1.3515 O=C1CCCN1CSCCCCCCO 62a_100000766143_100000026320 [0,1,0,1,0,0|2,0,0]=4 22407 B15R1.3515 O=C1NCCC1COCCCCCCF 34a_100000133458_100015922095 [0,1,0,1,0,0|2,0,0]=4 22408 B15R1.3515 O=C1NCCC1COCCCCCCO 34a_100000133458_100000766143 [0,1,0,1,0,0|2,0,0]=4 22409 B15R1.3515 O=C1NCCC1NCCCCCCCO 2230a_100016995588_100000760002 [0,1,0,1,0,0|2,0,0]=4 22410 B15R1.3515 O=C1NCCC1NCCCCCCCO 34a_100016995588_100000760002 [0,1,0,1,0,0|2,0,0]=4 22411 B15R1.3515 O=C1NCC[C@@H]1OCCCCCCCO 34a_100000688343_100000760002 [0,1,0,1,0,0|2,0,0]=4 22412 B15R1.3515 O=C1OCCC1NCCCCCCCO 2230a_100011996573_100000211211 [0,1,0,1,0,0|2,0,0]=4 22413 B15R1.3515 O=C1OCCC1NCCCCCCCO 34a_100011996573_100000211211 [0,1,0,1,0,0|2,0,0]=4 22414 B15R1.3515 O=C1OCCC1OCCCCCCCBr 34a_100000760002_100000211211 [0,1,0,1,0,0|2,0,0]=4 22415 B15R1.3515 O=C1OCCC1OCCCCCCCBr 7a_100000760002_100000211211 [0,1,0,1,0,0|2,0,0]=4 22416 B15R1.3515 O=C1OCCC1SCCCCCCCO 62a_100000211211_100000760002 [0,1,0,1,0,0|2,0,0]=4 22417 B15R1.3515 O=C1OCCC1SCCCCCCCO 62a_100000760002_100000211211 [0,1,0,1,0,0|2,0,0]=4 22418 B15R1.3873 CCNC1CCCCCCCCCCC1 2230a_100011194316_100000210202 [0,1,0,1,0,0|1,0,1]=4 22419 B15R1.3873 CCNC1CCCCCCCCCCC1 270004a_100015525214_100000210130 [0,1,0,1,0,0|1,0,1]=4 22420 B15R1.3873 CCNC1CCCCCCCCCCC1 34a_100011194316_100000210202 [0,1,0,1,0,0|1,0,1]=4 22421 B15R1.3873 CCOC1CCCCCCCCCCC1 34a_100000211378_100000210202 [0,1,0,1,0,0|1,0,1]=4 22422 B15R1.3873 CCOC1CCCCCCCCCCC1 7a_100000211378_100000210202 [0,1,0,1,0,0|1,0,1]=4 22423 B15R1.3873 FCNC1CCCCCCCCCCC1 34a_100011194316_100015361967 [0,1,0,1,0,0|1,0,1]=4 22424 B15R1.3873 FCOC1CCCCCCCCCCC1 34a_100000211378_100015361967 [0,1,0,1,0,0|1,0,1]=4 22425 B15R1.3873 FCOC1CCCCCCCCCCC1 7a_100000211378_100015361967 [0,1,0,1,0,0|1,0,1]=4 22426 B15R1.5367 C=CCCCCCCN1CCC1COC 2230a_100015195929_100011215473 [0,1,0,1,0,0|2,0,0]=4 22427 B15R1.5367 C=CCCCCCCN1CCC1COC 269982a_100015195929_100011215473 [0,1,0,1,0,0|2,0,0]=4 22428 B15R1.5367 C=CCCCCCCN1CCC1COC 34a_100015195929_100011215473 [0,1,0,1,0,0|2,0,0]=4 22429 B15R1.5367 CCCCCCCCN1CCC1COC 2230a_100015195929_100000210759 [0,1,0,1,0,0|2,0,0]=4 22430 B15R1.5367 CCCCCCCCN1CCC1COC 269982a_100015195929_100000210759 [0,1,0,1,0,0|2,0,0]=4 22431 B15R1.5367 CCCCCCCCN1CCC1COC 34a_100015195929_100000210759 [0,1,0,1,0,0|2,0,0]=4 22432 B15R1.9199 BrCCCCCCCCCCOC1CC1 34a_100009813290_100000211595 [0,1,0,1,0,0|1,0,1]=4 22433 B15R1.9199 BrCCCCCCCCCOCC1CC1 34a_100009813782_100000742324 [0,1,0,1,0,0|1,0,1]=4 22434 B15R1.9199 BrCCCCCCCCCOCC1CC1 7a_100009813782_100000742324 [0,1,0,1,0,0|1,0,1]=4 22435 B15R1.9199 BrCCCCCCCCOCCC1CC1 34a_100009813846_100000694398 [0,1,0,1,0,0|1,0,1]=4 22436 B15R1.9199 BrCCCCCCCCOCCC1CC1 7a_100009813846_100000764125 [0,1,0,1,0,0|1,0,1]=4 22437 B15R1.9199 C#CCCCCCCCCCOC1CC1 34a_100000034437_100000211595 [0,1,0,1,0,0|1,0,1]=4 22438 B15R1.9199 C#CCCCCCCCCOCC1CC1 34a_100000065265_100000742324 [0,1,0,1,0,0|1,0,1]=4 22439 B15R1.9199 C#CCCCCCCCCOCC1CC1 7a_100000065265_100000742324 [0,1,0,1,0,0|1,0,1]=4 22440 B15R1.9199 C#CCCCCCCCNCCC1CC1 34a_100000764129_100153394163 [0,1,0,1,0,0|1,0,1]=4 22441 B15R1.9199 C#CCCCCCCCOCCC1CC1 34a_100000054614_100000694398 [0,1,0,1,0,0|1,0,1]=4 22442 B15R1.9199 C#CCCCCCCCOCCC1CC1 34a_100000754188_100153394163 [0,1,0,1,0,0|1,0,1]=4 22443 B15R1.9199 C#CCCCCCCCOCCC1CC1 7a_100000054614_100000764125 [0,1,0,1,0,0|1,0,1]=4 22444 B15R1.9199 C#CCCCCCCCOCCC1CC1 7a_100000754188_100153394163 [0,1,0,1,0,0|1,0,1]=4 22445 B15R1.9199 C#CCCCCCCCSCCC1CC1 62a_100000764125_100153394163 [0,1,0,1,0,0|1,0,1]=4 22446 B15R1.9199 C#CCCCCCCCSCCC1CC1 62a_100153394163_100000764125 [0,1,0,1,0,0|1,0,1]=4 22447 B15R1.9199 C=CCCCCCCCCCNC1CC1 34a_100000081888_100000211595 [0,1,0,1,0,0|1,0,0]=3 22448 B15R1.9199 C=CCCCCCCCCCNC1CC1 34a_100000212008_100009814027 [0,1,0,1,0,0|1,0,0]=3 22449 B15R1.9199 C=CCCCCCCCCCOC1CC1 34a_100000038209_100000211595 [0,1,0,1,0,0|1,0,0]=3 22450 B15R1.9199 C=CCCCCCCCCCSC1CC1 62a_100009814027_100000211595 [0,1,0,1,0,0|1,0,0]=3 22451 B15R1.9199 C=CCCCCCCCCNCC1CC1 2230a_100000735609_100011933949 [0,1,0,1,0,0|1,0,0]=3 22452 B15R1.9199 C=CCCCCCCCCNCC1CC1 34a_100000735609_100011933949 [0,1,0,1,0,0|1,0,0]=3 22453 B15R1.9199 C=CCCCCCCCCOCC1CC1 34a_100000211283_100011933949 [0,1,0,1,0,0|1,0,0]=3 22454 B15R1.9199 C=CCCCCCCCCOCC1CC1 34a_100011215194_100000742324 [0,1,0,1,0,0|1,0,0]=3 22455 B15R1.9199 C=CCCCCCCCCOCC1CC1 7a_100011215194_100000742324 [0,1,0,1,0,0|1,0,0]=3 22456 B15R1.9199 C=CCCCCCCCCOCC1CO1 34a_100011215194_102125554688 [0,1,0,1,0,0|2,0,0]=4 22457 B15R1.9199 C=CCCCCCCCCOCC1CO1 7a_100011215194_102125554688 [0,1,0,1,0,0|2,0,0]=4 22458 B15R1.9199 C=CCCCCCCCCOCC1CS1 7a_100011215194_100000031435 [0,1,0,1,0,0|2,0,0]=4 22459 B15R1.9199 C=CCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100011933949 [0,1,0,1,0,0|2,0,0]=4 22460 B15R1.9199 C=CCCCCCCCCOC[C@@H]1CO1 7a_100011215194_100000745022 [0,1,0,1,0,0|2,0,0]=4 22461 B15R1.9199 C=CCCCCCCCCSCC1CC1 62a_100000756562_100011933949 [0,1,0,1,0,0|1,0,0]=3 22462 B15R1.9199 C=CCCCCCCCCSCC1CC1 62a_100011933949_100000742324 [0,1,0,1,0,0|1,0,0]=3 22463 B15R1.9199 C=CCCCCCCCCSCC1CO1 62a_100011933949_102125554688 [0,1,0,1,0,0|2,0,0]=4 22464 B15R1.9199 C=CCCCCCCCCSCC1CO1 62a_102125554688_100011933949 [0,1,0,1,0,0|2,0,0]=4 22465 B15R1.9199 C=CCCCCCCCCSCC1CS1 62a_100000031435_100011933949 [0,1,0,1,0,0|2,0,0]=4 22466 B15R1.9199 C=CCCCCCCCCSCC1CS1 62a_100011933949_100000031435 [0,1,0,1,0,0|2,0,0]=4 22467 B15R1.9199 C=CCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100011933949 [0,1,0,1,0,0|2,0,0]=4 22468 B15R1.9199 C=CCCCCCCCCSC[C@@H]1CO1 62a_100011933949_100000745022 [0,1,0,1,0,0|2,0,0]=4 22469 B15R1.9199 C=CCCCCCCCNCCC1CC1 34a_100000764129_100012355270 [0,1,0,1,0,0|1,0,0]=3 22470 B15R1.9199 C=CCCCCCCCOCCC1CC1 34a_100000730831_100000694398 [0,1,0,1,0,0|1,0,0]=3 22471 B15R1.9199 C=CCCCCCCCOCCC1CC1 34a_100000754188_100012355270 [0,1,0,1,0,0|1,0,0]=3 22472 B15R1.9199 C=CCCCCCCCOCCC1CC1 7a_100000730831_100000764125 [0,1,0,1,0,0|1,0,0]=3 22473 B15R1.9199 C=CCCCCCCCOCCC1CC1 7a_100000754188_100012355270 [0,1,0,1,0,0|1,0,0]=3 22474 B15R1.9199 C=CCCCCCCCOCCC1CO1 34a_100000730831_100000732470 [0,1,0,1,0,0|2,0,0]=4 22475 B15R1.9199 C=CCCCCCCCOCCC1CO1 7a_100000730831_100000732470 [0,1,0,1,0,0|2,0,0]=4 22476 B15R1.9199 C=CCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100012355270 [0,1,0,1,0,0|2,0,0]=4 22477 B15R1.9199 C=CCCCCCCCSCCC1CC1 62a_100000764125_100012355270 [0,1,0,1,0,0|1,0,0]=3 22478 B15R1.9199 C=CCCCCCCCSCCC1CC1 62a_100012355270_100000764125 [0,1,0,1,0,0|1,0,0]=3 22479 B15R1.9199 C=CCCCCCCCSCCC1CO1 62a_100000732470_100012355270 [0,1,0,1,0,0|2,0,0]=4 22480 B15R1.9199 C=CCCCCCCCSCCC1CO1 62a_100012355270_100000732470 [0,1,0,1,0,0|2,0,0]=4 22481 B15R1.9199 C=CCCCCCCOCCCC1CO1 34a_200011216477_100000733510 [0,1,0,1,0,0|2,0,0]=4 22482 B15R1.9199 C=CCCCCCCOCCCC1CO1 7a_200011216477_100000733510 [0,1,0,1,0,0|2,0,0]=4 22483 B15R1.9199 C=CCCCCCCOCCNC1CC1 34a_100000738766_100011215473 [0,1,0,1,0,0|2,0,0]=4 22484 B15R1.9199 C=CCCCCCCSCCCC1CO1 62a_100000733510_100011215473 [0,1,0,1,0,0|2,0,0]=4 22485 B15R1.9199 C=CCCCCCCSCCCC1CO1 62a_100011215473_100000733510 [0,1,0,1,0,0|2,0,0]=4 22486 B15R1.9199 CCCCCCCCCCCNC1CC1 34a_100000212008_100011215454 [0,1,0,1,0,0|1,0,1]=4 22487 B15R1.9199 CCCCCCCCCCCNC1CC1 34a_200011215754_100000211595 [0,1,0,1,0,0|1,0,1]=4 22488 B15R1.9199 CCCCCCCCCCCOC1CC1 34a_100000210809_100000211595 [0,1,0,1,0,0|1,0,1]=4 22489 B15R1.9199 CCCCCCCCCCNCC1CC1 2230a_100000684558_100000742324 [0,1,0,1,0,0|1,0,1]=4 22490 B15R1.9199 CCCCCCCCCCNCC1CC1 2230a_100000735609_100000210320 [0,1,0,1,0,0|1,0,1]=4 22491 B15R1.9199 CCCCCCCCCCNCC1CC1 269862a_100000684558_100000741477 [0,1,0,1,0,0|1,0,1]=4 22492 B15R1.9199 CCCCCCCCCCNCC1CC1 34a_100000684558_100000742324 [0,1,0,1,0,0|1,0,1]=4 22493 B15R1.9199 CCCCCCCCCCNCC1CC1 34a_100000735609_100000210320 [0,1,0,1,0,0|1,0,1]=4 22494 B15R1.9199 CCCCCCCCCCNCC1CO1 2230a_100000684558_100011216344 [0,1,0,1,0,0|0,0,2]=4 22495 B15R1.9199 CCCCCCCCCCNCC1CO1 34a_100000684558_102125554688 [0,1,0,1,0,0|0,0,2]=4 22496 B15R1.9199 CCCCCCCCCCOCC1CC1 34a_100000210711_100000742324 [0,1,0,1,0,0|1,0,1]=4 22497 B15R1.9199 CCCCCCCCCCOCC1CC1 34a_100000211283_100000210320 [0,1,0,1,0,0|1,0,1]=4 22498 B15R1.9199 CCCCCCCCCCOCC1CC1 7a_100000210711_100000742324 [0,1,0,1,0,0|1,0,1]=4 22499 B15R1.9199 CCCCCCCCCCOCC1CO1 34a_100000210711_102125554688 [0,1,0,1,0,0|0,0,2]=4 22500 B15R1.9199 CCCCCCCCCCOCC1CO1 7a_100000210711_102125554688 [0,1,0,1,0,0|0,0,2]=4 22501 B15R1.9199 CCCCCCCCCCOCC1CS1 7a_100000210711_100000031435 [0,1,0,1,0,0|0,1,1]=4 22502 B15R1.9199 CCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210320 [0,1,0,1,0,0|0,0,2]=4 22503 B15R1.9199 CCCCCCCCCCOC[C@@H]1CO1 7a_100000210711_100000745022 [0,1,0,1,0,0|0,0,2]=4 22504 B15R1.9199 CCCCCCCCCCSCC1CC1 62a_100000756562_100000210320 [0,1,0,1,0,0|1,0,1]=4 22505 B15R1.9199 CCCCCCCCCCSCC1CO1 62a_102125554688_100000210320 [0,1,0,1,0,0|0,0,2]=4 22506 B15R1.9199 CCCCCCCCCCSCC1CS1 62a_100000031435_100000210320 [0,1,0,1,0,0|0,1,1]=4 22507 B15R1.9199 CCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210320 [0,1,0,1,0,0|0,0,2]=4 22508 B15R1.9199 CCCCCCCCCNCCC1CC1 2230a_100000212291_100000694398 [0,1,0,1,0,0|1,0,1]=4 22509 B15R1.9199 CCCCCCCCCNCCC1CC1 34a_100000212291_100000694398 [0,1,0,1,0,0|1,0,1]=4 22510 B15R1.9199 CCCCCCCCCNCCC1CC1 34a_100000764129_100011214924 [0,1,0,1,0,0|1,0,1]=4 22511 B15R1.9199 CCCCCCCCCNCCC1CO1 2230a_100000212291_100000732470 [0,1,0,1,0,0|0,0,2]=4 22512 B15R1.9199 CCCCCCCCCNCCC1CO1 34a_100000212291_100000732470 [0,1,0,1,0,0|0,0,2]=4 22513 B15R1.9199 CCCCCCCCCOCCC1CC1 34a_100000210712_100000694398 [0,1,0,1,0,0|1,0,1]=4 22514 B15R1.9199 CCCCCCCCCOCCC1CC1 34a_100000754188_100011214924 [0,1,0,1,0,0|1,0,1]=4 22515 B15R1.9199 CCCCCCCCCOCCC1CC1 7a_100000210712_100000764125 [0,1,0,1,0,0|1,0,1]=4 22516 B15R1.9199 CCCCCCCCCOCCC1CC1 7a_100000754188_100000210328 [0,1,0,1,0,0|1,0,1]=4 22517 B15R1.9199 CCCCCCCCCOCCC1CO1 34a_100000210712_100000732470 [0,1,0,1,0,0|0,0,2]=4 22518 B15R1.9199 CCCCCCCCCOCCC1CO1 7a_100000210712_100000732470 [0,1,0,1,0,0|0,0,2]=4 22519 B15R1.9199 CCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100011214924 [0,1,0,1,0,0|0,0,2]=4 22520 B15R1.9199 CCCCCCCCCSCCC1CC1 62a_100000764125_100000210670 [0,1,0,1,0,0|1,0,1]=4 22521 B15R1.9199 CCCCCCCCCSCCC1CO1 62a_100000732470_100000210670 [0,1,0,1,0,0|0,0,2]=4 22522 B15R1.9199 CCCCCCCCNCCCC1CO1 2230a_100000229939_100000733510 [0,1,0,1,0,0|0,0,2]=4 22523 B15R1.9199 CCCCCCCCNCCCC1CO1 34a_100000229939_100000733510 [0,1,0,1,0,0|0,0,2]=4 22524 B15R1.9199 CCCCCCCCOCCCC1CO1 34a_100000210232_100000733510 [0,1,0,1,0,0|0,0,2]=4 22525 B15R1.9199 CCCCCCCCOCCCC1CO1 7a_100000210232_100000733510 [0,1,0,1,0,0|0,0,2]=4 22526 B15R1.9199 CCCCCCCCSCCCC1CO1 62a_100000210759_100000733510 [0,1,0,1,0,0|0,0,2]=4 22527 B15R1.9199 CCCCCCCCSCCCC1CO1 62a_100000733510_100000210317 [0,1,0,1,0,0|0,0,2]=4 22528 B15R1.9199 ClCCCCCCCCCCOC1CC1 34a_200000033068_100000211595 [0,1,0,1,0,0|1,0,1]=4 22529 B15R1.9199 ClCCCCCCCCCOCC1CC1 34a_100009868337_100000742324 [0,1,0,1,0,0|1,0,1]=4 22530 B15R1.9199 ClCCCCCCCCCOCC1CC1 7a_100009868337_100000742324 [0,1,0,1,0,0|1,0,1]=4 22531 B15R1.9199 ClCCCCCCCCOCCC1CC1 34a_100000033203_100000694398 [0,1,0,1,0,0|1,0,1]=4 22532 B15R1.9199 ClCCCCCCCCOCCC1CC1 7a_100000033203_100000764125 [0,1,0,1,0,0|1,0,1]=4 22533 B15R1.9199 NCCCCCCCCCCOC1CC1 34a_100000066964_100000211595 [0,1,0,1,0,0|1,0,1]=4 22534 B15R1.9199 NCCCCCCCCCOCC1CC1 34a_100000078944_100000742324 [0,1,0,1,0,0|1,0,1]=4 22535 B15R1.9199 NCCCCCCCCOCCC1CC1 34a_102515433106_100000694398 [0,1,0,1,0,0|1,0,1]=4 22536 B15R1.9199 O=CCCCOCCCCOCC1CO1 7a_100010889290_200011292268 [0,1,0,1,0,0|2,0,0]=4 22537 B15R1.9199 OCCCCCCCCCCNC1CC1 34a_100000066964_100000211595 [0,1,0,1,0,0|0,0,2]=4 22538 B15R1.9199 OCCCCCCCCCCNC1CC1 34a_100000212008_100009813290 [0,1,0,1,0,0|0,0,2]=4 22539 B15R1.9199 OCCCCCCCCCCSC1CC1 62a_100009813290_100000211595 [0,1,0,1,0,0|0,0,2]=4 22540 B15R1.9199 OCCCCCCCCCNCC1CC1 2230a_100000078944_100000742324 [0,1,0,1,0,0|0,0,2]=4 22541 B15R1.9199 OCCCCCCCCCNCC1CC1 2230a_100000735609_100009813782 [0,1,0,1,0,0|0,0,2]=4 22542 B15R1.9199 OCCCCCCCCCNCC1CC1 269862a_100000078944_100000741477 [0,1,0,1,0,0|0,0,2]=4 22543 B15R1.9199 OCCCCCCCCCNCC1CC1 34a_100000078944_100000742324 [0,1,0,1,0,0|0,0,2]=4 22544 B15R1.9199 OCCCCCCCCCNCC1CC1 34a_100000735609_100009813782 [0,1,0,1,0,0|0,0,2]=4 22545 B15R1.9199 OCCCCCCCCCOCC1CC1 34a_100000211283_100009813782 [0,1,0,1,0,0|0,0,2]=4 22546 B15R1.9199 OCCCCCCCCCSCC1CC1 62a_100000756562_100009813782 [0,1,0,1,0,0|0,0,2]=4 22547 B15R1.9199 OCCCCCCCCCSCC1CC1 62a_100009813782_100000742324 [0,1,0,1,0,0|0,0,2]=4 22548 B15R1.9199 OCCCCCCCCNCCC1CC1 2230a_102515433106_100000694398 [0,1,0,1,0,0|0,0,2]=4 22549 B15R1.9199 OCCCCCCCCNCCC1CC1 34a_100000764129_100000033203 [0,1,0,1,0,0|0,0,2]=4 22550 B15R1.9199 OCCCCCCCCNCCC1CC1 34a_102515433106_100000694398 [0,1,0,1,0,0|0,0,2]=4 22551 B15R1.9199 OCCCCCCCCOCCC1CC1 34a_100000754188_100000033203 [0,1,0,1,0,0|0,0,2]=4 22552 B15R1.9199 OCCCCCCCCOCCC1CC1 7a_100000754188_100000033203 [0,1,0,1,0,0|0,0,2]=4 22553 B15R1.9199 OCCCCCCCCSCCC1CC1 62a_100000033203_100000764125 [0,1,0,1,0,0|0,0,2]=4 22554 B15R1.9199 OCCCCCCCCSCCC1CC1 62a_100000764125_100000033203 [0,1,0,1,0,0|0,0,2]=4 22555 B15R1.778 C=CCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000210623 [0,1,0,1,0,0|1,0,1]=4 22556 B15R1.778 C=CCC(C)COCCC1CCCCC1 34a_100009832082_100011209188 [0,1,0,1,0,0|2,0,0]=4 22557 B15R1.778 C=CCC(C)COCCC1CCCCC1 7a_100009832082_100011273959 [0,1,0,1,0,0|2,0,0]=4 22558 B15R1.778 C=CC[C@@H](C)OCCCC1CCCCC1 34a_100000731007_100011713725 [0,1,0,1,0,0|2,0,0]=4 22559 B15R1.778 C=CC[C@@H](C)OCCCC1CCCCC1 7a_100000731007_100011713725 [0,1,0,1,0,0|2,0,0]=4 22560 B15R1.778 C=CC[C@@H](N)COCCC1CCCCC1 34a_100020615467_100011209188 [0,1,0,1,0,0|2,0,0]=4 22561 B15R1.778 CCCC(C)CCCOC1C=CCCC1 7a_100011713154_100000751183 [0,1,0,1,0,0|2,0,0]=4 22562 B15R1.795 C=CCC(C)COCCCC1CCCC1 34a_100009832082_100011713738 [0,1,0,1,0,0|2,0,0]=4 22563 B15R1.795 C=CCC(C)COCCCC1CCCC1 7a_100009832082_100011713738 [0,1,0,1,0,0|2,0,0]=4 22564 B15R1.795 C=CC[C@@H](N)COCCCC1CCCC1 34a_100020615467_100011713738 [0,1,0,1,0,0|2,0,0]=4 22565 B15R1.1168 C=C1CC(C1)CNCCCCCCCC 2230a_100102567296_100000210759 [0,1,0,1,0,0|2,0,0]=4 22566 B15R1.1168 C=C1CC(C1)CNCCCCCCCC 34a_100102567296_100000210759 [0,1,0,1,0,0|2,0,0]=4 22567 B15R1.1168 C=C1CC(C1)COCCCCCCCC 34a_100011011225_100000210759 [0,1,0,1,0,0|2,0,0]=4 22568 B15R1.1168 C=C1CC(C1)NCCCCCCCCC 2230a_100132301982_100011214924 [0,1,0,1,0,0|2,0,0]=4 22569 B15R1.1168 C=CCCCCCCCCN1CC(C1)C 2230a_100000702820_100011933949 [0,1,0,1,0,0|2,0,0]=4 22570 B15R1.1168 C=CCCCCCCCCN1CC(C1)C 269982a_100000702820_100011933949 [0,1,0,1,0,0|2,0,0]=4 22571 B15R1.1168 C=CCCCCCCCCN1CC(C1)C 34a_100000702820_100011933949 [0,1,0,1,0,0|2,0,0]=4 22572 B15R1.1168 C=CCCCCCCCCN1CC(C1)F 2230a_100000690557_100011933949 [0,1,0,1,0,0|2,0,0]=4 22573 B15R1.1168 C=CCCCCCCCCN1CC(C1)F 269982a_100000690557_100011933949 [0,1,0,1,0,0|2,0,0]=4 22574 B15R1.1168 C=CCCCCCCCCN1CC(C1)F 34a_100000690557_100011933949 [0,1,0,1,0,0|2,0,0]=4 22575 B15R1.1168 C=CCCCCCCCCN1CC(C1)O 269982a_100000749847_100011933949 [0,1,0,1,0,0|2,0,0]=4 22576 B15R1.1168 C=CCCCCCCCNC1CC(C1)F 2230a_100016993743_100012355270 [0,1,0,1,0,0|2,0,0]=4 22577 B15R1.1168 C=CCCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100012355270 [0,1,0,1,0,0|2,0,0]=4 22578 B15R1.1168 C=CCCCCCCNCC1CC(C1)O 2230a_100016992100_100011215473 [0,1,0,1,0,0|2,0,0]=4 22579 B15R1.1168 C=CCCCCCCOCC1CC(C1)Cl 34a_100009874164_100011215473 [0,1,0,1,0,0|2,0,0]=4 22580 B15R1.1168 CCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210670 [0,1,0,1,0,0|1,0,0]=3 22581 B15R1.1168 CCCCCCCCNCC1CC(=O)C1 2230a_100000229939_100009874392 [0,1,0,1,0,0|1,0,0]=3 22582 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210759 [0,1,0,1,0,0|1,0,0]=3 22583 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 7a_100000210232_100009874392 [0,1,0,1,0,0|1,0,0]=3 22584 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100000210759_100009874392 [0,1,0,1,0,0|1,0,0]=3 22585 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210317 [0,1,0,1,0,0|1,0,0]=3 22586 B15R1.1168 CCCCCOCCOCC1CC(=O)C1 7a_100011215259_100009874392 [0,1,0,1,0,0|2,0,0]=4 22587 B15R1.1168 CCCCOCCCNCC1CC(=O)C1 2230a_200000211371_100009874392 [0,1,0,1,0,0|2,0,0]=4 22588 B15R1.1168 CCCCOCCCOCC1CC(=O)C1 7a_200011215613_100009874392 [0,1,0,1,0,0|2,0,0]=4 22589 B15R1.1168 COCCCCCCOCC1CC(=O)C1 34a_100000101936_100011998445 [0,1,0,1,0,0|2,0,0]=4 22590 B15R1.1168 COCCCCCCOCC1CC(=O)C1 7a_200012092642_100009874392 [0,1,0,1,0,0|2,0,0]=4 22591 B15R1.1168 COCCCCCCSCC1CC(=O)C1 62a_100009874392_100011998445 [0,1,0,1,0,0|2,0,0]=4 22592 B15R1.1168 COCCCCCCSCC1CC(=O)C1 62a_100011998445_100009874392 [0,1,0,1,0,0|2,0,0]=4 22593 B15R1.1168 O=C1CC(C1)CNCCCCCCCO 2230a_100011996573_100009874392 [0,1,0,1,0,0|2,0,0]=4 22594 B15R1.1168 O=C1CC(C1)COCCCCCCCBr 7a_100000760002_100009874392 [0,1,0,1,0,0|2,0,0]=4 22595 B15R1.1168 O=C1CC(C1)COCCCCCCCO 34a_100000101936_100000760002 [0,1,0,1,0,0|2,0,0]=4 22596 B15R1.1168 O=C1CC(C1)CSCCCCCCCO 62a_100000760002_100009874392 [0,1,0,1,0,0|2,0,0]=4 22597 B15R1.1168 O=C1CC(C1)CSCCCCCCCO 62a_100009874392_100000760002 [0,1,0,1,0,0|2,0,0]=4 22598 B15R1.1168 O=C1CC(C1)SCCCCCCCCO 62a_100009894365_100000033203 [0,1,0,1,0,0|2,0,0]=4 22599 B15R1.1176 C=CCCCCOC1CCC(CC1C)C 34a_100011539931_100011215482 [0,1,0,1,0,0|2,0,0]=4 22600 B15R1.1176 C=CCCCCOC1CCC(CC1C)C 7a_100011539931_100011215482 [0,1,0,1,0,0|2,0,0]=4 22601 B15R1.1176 CC1CCC(C(C1)C)OCCCCC=O 7a_100011539931_100000139335 [0,1,0,1,0,0|1,0,0]=3 22602 B15R1.1176 C[C@H]1CN(CCN1CCCCCC=O)C 2230a_100012002466_100000139337 [0,1,0,1,0,0|2,0,0]=4 22603 B15R1.1176 C[C@H]1CN(CCN1CCCCCC=O)C 269982a_100012002466_100000139337 [0,1,0,1,0,0|2,0,0]=4 22604 B15R1.1251 CCCC(=O)CCN1CCCCCC1=O 1458a_200011207554_100000210303 [0,1,0,1,0,0|1,0,1]=4 22605 B15R1.1251 CCCC(=O)CSC1CCCCCC1=O 62a_100000243696_100000747444 [0,1,0,1,0,0|1,0,1]=4 22606 B15R1.1251 CCCC(=O)CSC1CCCCCC1=O 62a_100000747444_100000243696 [0,1,0,1,0,0|1,0,1]=4 22607 B15R1.1251 CCCC(C)CNC1CCCCNC1=O 2230a_100000698827_100011216630 [0,1,0,1,0,0|2,0,0]=4 22608 B15R1.1251 CCCC(C)CNC1CCCCNC1=O 270004a_100000698827_100000243154 [0,1,0,1,0,0|2,0,0]=4 22609 B15R1.1251 CCCC(C)CNC1CCCCNC1=O 34a_100000698827_100011216630 [0,1,0,1,0,0|2,0,0]=4 22610 B15R1.1251 CCCC(C)COC1CCCCCC1=O 7a_100000688023_100000243696 [0,1,0,1,0,0|1,0,0]=3 22611 B15R1.1251 CCCC(C)COC1CCCCNC1=O 7a_100000688023_100000735217 [0,1,0,1,0,0|2,0,0]=4 22612 B15R1.1251 CCCC(C)CSC1CCCCCC1=O 62a_100000243696_100011216630 [0,1,0,1,0,0|1,0,0]=3 22613 B15R1.1251 CCCC(C)CSC1CCCCCC1=O 62a_100011216630_100000243696 [0,1,0,1,0,0|1,0,0]=3 22614 B15R1.1251 CCCC(C)CSC1CCCCNC1=O 62a_100000735217_100011216630 [0,1,0,1,0,0|2,0,0]=4 22615 B15R1.1251 CCCC(C)CSC1CCCCNC1=O 62a_100011216630_100000735217 [0,1,0,1,0,0|2,0,0]=4 22616 B15R1.1251 COCC(O)CSC1CCCCCC1=O 62a_100000243696_100011215053 [0,1,0,1,0,0|2,0,0]=4 22617 B15R1.1251 COCC(O)CSC1CCCCCC1=O 62a_100011215053_100000243696 [0,1,0,1,0,0|2,0,0]=4 22618 B15R1.1252 CCCC(=O)CCCN1CCCCC1=O 1458a_100011236284_100000210303 [0,1,0,1,0,0|1,0,1]=4 22619 B15R1.1252 CCCC(=O)COCC1CCCCC1=O 7a_100009861125_100000747444 [0,1,0,1,0,0|1,0,1]=4 22620 B15R1.1252 CCCC(C)CCOC1CCCCC1=O 34a_100011217855_100000754470 [0,1,0,1,0,0|1,0,0]=3 22621 B15R1.1252 CCCC(C)CCOC1CCCCC1=O 7a_100011217855_100000204591 [0,1,0,1,0,0|1,0,0]=3 22622 B15R1.1252 CCCC(C)CCOC1CCCNC1=O 34a_100011217855_100000687798 [0,1,0,1,0,0|2,0,0]=4 22623 B15R1.1252 CCCC(C)CCOC1CCCNC1=O 7a_100011217855_100000687798 [0,1,0,1,0,0|2,0,0]=4 22624 B15R1.1252 CCCC(C)CCOC1COCCC1=O 34a_100011217855_100012180262 [0,1,0,1,0,0|2,0,0]=4 22625 B15R1.1252 CCCC(C)CCOC1COCCC1=O 7a_100011217855_100012180262 [0,1,0,1,0,0|2,0,0]=4 22626 B15R1.1252 CCCC(C)COCC1CCCCC1=O 34a_100009861125_100011216630 [0,1,0,1,0,0|1,0,0]=3 22627 B15R1.1252 CCCC(C)COCC1CCCCC1=O 7a_100009861125_100011216630 [0,1,0,1,0,0|1,0,0]=3 22628 B15R1.1252 CCCC(C)NCCN1CCCCC1=O 2230a_100160573077_100000766640 [0,1,0,1,0,0|2,0,0]=4 22629 B15R1.1252 CCCC(C)NCCN1CCCCC1=O 270004a_100160573077_100000211909 [0,1,0,1,0,0|2,0,0]=4 22630 B15R1.1252 CCCC(C)NCCN1CCCCC1=O 34a_100160573077_100000766640 [0,1,0,1,0,0|2,0,0]=4 22631 B15R1.1252 CCC[C@H](N)CCOC1CCCCC1=O 34a_100015193777_100000754470 [0,1,0,1,0,0|1,0,0]=3 22632 B15R1.1252 CCC[C@H](N)CCOC1CCCNC1=O 34a_100015193777_100000687798 [0,1,0,1,0,0|2,0,0]=4 22633 B15R1.1252 CCC[C@H](N)CCOC1COCCC1=O 34a_100015193777_100012180262 [0,1,0,1,0,0|2,0,0]=4 22634 B15R1.1252 COCC(O)COCC1CCCCC1=O 34a_100009861125_100011215053 [0,1,0,1,0,0|2,0,0]=4 22635 B15R1.1252 COCC(O)COCC1CCCCC1=O 7a_100009861125_100011215053 [0,1,0,1,0,0|2,0,0]=4 22636 B15R1.2461 C=CCC(C)COCC1CCCCCC1 34a_100009832082_200000696569 [0,1,0,1,0,0|2,0,0]=4 22637 B15R1.2461 C=CCC(C)COCC1CCCCCC1 7a_100009832082_200000696569 [0,1,0,1,0,0|2,0,0]=4 22638 B15R1.2461 C=CC[C@@H](N)COCC1CCCCCC1 34a_100020615467_200000696569 [0,1,0,1,0,0|2,0,0]=4 22639 B15R1.2461 CN(CC=O)CCCN1CCCCCC1 269982a_200000231118_200015260668 [0,1,0,1,0,0|2,0,0]=4 22640 B15R1.3857 CCCC(C)CCCOC1CCCC1=O 34a_100011713154_100000709159 [0,1,0,1,0,0|1,0,0]=3 22641 B15R1.3857 CCCC(C)CCCOC1CCCC1=O 7a_100011713154_100000211823 [0,1,0,1,0,0|1,0,0]=3 22642 B15R1.3857 CCCC(C)CCCOC1CCOC1=O 34a_100011713154_100000211211 [0,1,0,1,0,0|2,0,0]=4 22643 B15R1.3857 CCCC(C)CCCOC1CCOC1=O 7a_100011713154_100000211211 [0,1,0,1,0,0|2,0,0]=4 22644 B15R1.3857 CCCC(C)CNCCN1CCCC1=O 2230a_100011200922_100011216630 [0,1,0,1,0,0|2,0,0]=4 22645 B15R1.3857 CCCC(C)CNCCN1CCCC1=O 270004a_100011200922_100000243154 [0,1,0,1,0,0|2,0,0]=4 22646 B15R1.3857 CCCC(C)COCCN1CCCC1=O 34a_100000211209_100011216630 [0,1,0,1,0,0|2,0,0]=4 22647 B15R1.3857 CCCC(C)COCCN1CCCC1=O 34a_100000688023_100000739059 [0,1,0,1,0,0|2,0,0]=4 22648 B15R1.3857 CCCC(C)COCCN1CCCC1=O 7a_100000211209_100011216630 [0,1,0,1,0,0|2,0,0]=4 22649 B15R1.3857 CCCC(C)COCCN1CCCC1=O 7a_100000688023_100000739059 [0,1,0,1,0,0|2,0,0]=4 22650 B15R1.3857 CCCC(C)CSCCN1CCCC1=O 62a_100000739059_100011216630 [0,1,0,1,0,0|2,0,0]=4 22651 B15R1.3857 CCCC(C)CSCCN1CCCC1=O 62a_100011216630_100000739059 [0,1,0,1,0,0|2,0,0]=4 22652 B15R1.3857 CCCC(C)NCCCN1CCCC1=O 2230a_100000210347_100000766640 [0,1,0,1,0,0|2,0,0]=4 22653 B15R1.3857 CCCC(C)NCCCN1CCCC1=O 270004a_100000210347_100000211909 [0,1,0,1,0,0|2,0,0]=4 22654 B15R1.3857 CCCC(C)NCCCN1CCCC1=O 34a_100000210347_100000766640 [0,1,0,1,0,0|2,0,0]=4 22655 B15R1.3857 CCCC(C)OCCCN1CCCC1=O 34a_100011216539_100000766640 [0,1,0,1,0,0|2,0,0]=4 22656 B15R1.3857 CCCC(C)OCCCN1CCCC1=O 7a_100011216539_100000766640 [0,1,0,1,0,0|2,0,0]=4 22657 B15R1.3857 CCC[C@H](N)COCCN1CCCC1=O 34a_100000732646_100000739059 [0,1,0,1,0,0|2,0,0]=4 22658 B15R1.3865 CCCC(C)CCOCCC1CCC1=O 7a_100011217855_200016118888 [0,1,0,1,0,0|1,0,0]=3 22659 B15R1.3880 C=CCC1CCCCC1NC(C)CCC 269862a_100000741246_100011214939 [0,1,0,1,0,0|2,0,0]=4 22660 B15R1.3880 C=CCC1CCCCC1NC(C)CCC 270004a_100000741246_100011214939 [0,1,0,1,0,0|2,0,0]=4 22661 B15R1.5365 CCCCCCCNC1CC(OC1=O)C 2230a_100000229938_200000216747 [0,1,0,1,0,0|2,0,0]=4 22662 B15R1.5365 CCCCCCCOC1CC(OC1=O)C 34a_100000210272_200000216747 [0,1,0,1,0,0|2,0,0]=4 22663 B15R1.5365 CCCCCCCOC1CC(OC1=O)C 7a_100000210272_200000216747 [0,1,0,1,0,0|2,0,0]=4 22664 B15R1.5365 CCCCCCCSC1CC(OC1=O)C 62a_100000210614_200000216747 [0,1,0,1,0,0|2,0,0]=4 22665 B15R1.5365 CCCCCCCSC1CC(OC1=O)C 62a_200000216747_100000210316 [0,1,0,1,0,0|2,0,0]=4 22666 B15R1.9209 C=CCN(C)C1CCCC1CCCCC 270004a_100000225617_200000198059 [0,1,0,1,0,0|2,0,0]=4 22667 B15R1.10366 CCCC(C)COC1C=CCCCCC1 34a_100000688657_100011216630 [0,1,0,1,0,0|2,0,0]=4 22668 B15R1.12171 C=CCCCCCCCCC(=O)C1CC1 1458a_100000210395_100011933949 [0,1,0,1,0,0|1,0,1]=4 22669 B15R1.12171 C=CCCCCCCCCN(C)C1CC1 2230a_100000226674_100011933949 [0,1,0,1,0,0|2,0,0]=4 22670 B15R1.12171 C=CCCCCCCCCN(C)C1CC1 269982a_100000226674_100011933949 [0,1,0,1,0,0|2,0,0]=4 22671 B15R1.12171 C=CCCCCCCCNC(C)C1CC1 2230a_100000700016_100012355270 [0,1,0,1,0,0|2,0,0]=4 22672 B15R1.12171 C=CCCCCCCCNC(C)C1CC1 34a_100000700016_100012355270 [0,1,0,1,0,0|2,0,0]=4 22673 B15R1.12171 C=CCCCCCCCOC(C)C1CC1 34a_100000744524_100012355270 [0,1,0,1,0,0|2,0,0]=4 22674 B15R1.12171 C=CCCCCCCCOC(C)C1CC1 7a_100000744524_100012355270 [0,1,0,1,0,0|2,0,0]=4 22675 B15R1.12171 C=CCCCCCCNCC(O)C1CC1 2230a_100000751198_100011215473 [0,1,0,1,0,0|2,0,0]=4 22676 B15R1.12171 C=CCCCCCCNCC(O)C1CC1 34a_100000751198_100011215473 [0,1,0,1,0,0|2,0,0]=4 22677 B15R1.12171 C=CCCCCCCOC[C@H](N)C1CC1 34a_100020623730_100011215473 [0,1,0,1,0,0|2,0,0]=4 22678 B15R1.21899 C=CCCCCCCCNC1(CCC1)C 2230a_100000692455_100012355270 [0,1,0,1,0,0|2,0,0]=4 22679 B15R1.21899 C=CCCCCCCCNC1(CCC1)C 34a_100000692455_100012355270 [0,1,0,1,0,0|2,0,0]=4 22680 B15R1.21899 C=CCCCCCCCOC1(CCC1)C 34a_100000759064_100012355270 [0,1,0,1,0,0|2,0,0]=4 22681 B15R1.21899 C=CCCCCCCCOC1(CCC1)C 7a_100000759064_100012355270 [0,1,0,1,0,0|2,0,0]=4 22682 B15R1.21899 C=CCCCCCCNCC1(CCC1)C 2230a_100000706607_100011215473 [0,1,0,1,0,0|2,0,0]=4 22683 B15R1.21899 C=CCCCCCCNCC1(CCC1)O 2230a_100000752638_100011215473 [0,1,0,1,0,0|2,0,0]=4 22684 B15R1.21899 C=CCCCCCCOCC1(CCC1)C 34a_200011216477_100000726658 [0,1,0,1,0,0|2,0,0]=4 22685 B15R1.21899 C=CCCCCCCOCC1(CCC1)C 7a_200011216477_100000726658 [0,1,0,1,0,0|2,0,0]=4 22686 B15R1.21899 C=CCCCCCCSCC1(CCC1)C 62a_100000726658_100011215473 [0,1,0,1,0,0|2,0,0]=4 22687 B15R1.21899 C=CCCCCCCSCC1(CCC1)C 62a_100011215473_100000726658 [0,1,0,1,0,0|2,0,0]=4 22688 B15R1.40605 CC1CN(CCCN1CCCCC=O)C 269982a_100011935175_100000139335 [0,1,0,1,0,0|2,0,0]=4 22689 B15R1.84 CC(=O)CCCCN1CCCCC1CO 269982a_100000210821_100000735457 [0,1,0,1,0,0|2,0,0]=4 22690 B15R1.84 CC(=O)CCCCN1CCCCC1CO 34a_100000210821_100009817362 [0,1,0,1,0,0|2,0,0]=4 22691 B15R1.84 CC(=O)CCCOC1CCCCC1CN 34a_100011216029_100000685027 [0,1,0,1,0,0|2,0,0]=4 22692 B15R1.84 CCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000757040 [0,1,0,1,0,0|1,0,0]=3 22693 B15R1.84 CCC1CCCCC1NCCCS(=O)C 270004a_200000753449_100000757040 [0,1,0,1,0,0|2,0,0]=4 22694 B15R1.84 CCC1CCCCC1NCCNC(=O)C 269862a_100000209853_100000757040 [0,1,0,1,0,0|2,0,0]=4 22695 B15R1.84 CCC1CCCCC1NCCNC(=O)N 269862a_100020590234_100000757040 [0,1,0,1,0,0|2,0,0]=4 22696 B15R1.84 CCC1CCCCC1NCCSC(=O)C 269862a_100020647217_100000757040 [0,1,0,1,0,0|2,0,0]=4 22697 B15R1.84 CCC1CCCCC1OCCCC(=O)C 34a_100000210738_100000685027 [0,1,0,1,0,0|1,0,0]=3 22698 B15R1.84 CCC1CCCCC1OCCCC(=O)C 7a_100000210738_100011215641 [0,1,0,1,0,0|1,0,0]=3 22699 B15R1.84 CCC1CCCCC1OCCCC(=O)N 34a_100000210738_100102525003 [0,1,0,1,0,0|1,0,0]=3 22700 B15R1.84 CCC1CCCCC1OCCCC(=O)N 7a_100000210738_100102525003 [0,1,0,1,0,0|1,0,0]=3 22701 B15R1.84 CCC1CCCCC1OCCNC(=O)C 7a_100000210738_100000189650 [0,1,0,1,0,0|2,0,0]=4 22702 B15R1.84 CCC1CCCCC1OCCNC(=O)N 7a_100000210738_200000034859 [0,1,0,1,0,0|2,0,0]=4 22703 B15R1.84 CCC1CCCCC1OCCOC(=O)C 34a_100000210738_100009814007 [0,1,0,1,0,0|2,0,0]=4 22704 B15R1.84 CCC1CCCCC1OCCOC(=O)C 7a_100000210738_100009814007 [0,1,0,1,0,0|2,0,0]=4 22705 B15R1.84 CCC1CCCCC1OCCOC(=O)N 34a_100000210738_200011214921 [0,1,0,1,0,0|2,0,0]=4 22706 B15R1.84 CCC1CCCCC1OCCOC(=O)N 7a_100000210738_200011214921 [0,1,0,1,0,0|2,0,0]=4 22707 B15R1.84 CCC1CCCCN1CCCCC(=O)C 269982a_100000210034_100000735457 [0,1,0,1,0,0|1,0,0]=3 22708 B15R1.84 CCC1CCCCN1CCCCC(=O)C 34a_100000210034_100009817362 [0,1,0,1,0,0|1,0,0]=3 22709 B15R1.84 CCC1CCCCN1CCCNC(=O)C 11a_100011191702_100015343762 [0,1,0,1,0,0|2,0,0]=4 22710 B15R1.84 CCC1CCCCN1CCCNC(=O)C 1626a_100011191702_100015343762 [0,1,0,1,0,0|2,0,0]=4 22711 B15R1.84 CCC1CCCCN1CCCNC(=O)C 240690a_100011191702_100015343762 [0,1,0,1,0,0|2,0,0]=4 22712 B15R1.84 CCC1CCCCN1CCCNC(=O)C 527a_100011191702_100103153847 [0,1,0,1,0,0|2,0,0]=4 22713 B15R1.84 CCC1CCCCN1CCCOC(=O)C 269982a_100000210034_100000042594 [0,1,0,1,0,0|2,0,0]=4 22714 B15R1.84 CCC1CCCCN1CCCOC(=O)C 34a_100000210034_100000042594 [0,1,0,1,0,0|2,0,0]=4 22715 B15R1.84 CCC1CCCCN1CCCSC(=O)C 2230a_100000210034_100000038929 [0,1,0,1,0,0|2,0,0]=4 22716 B15R1.84 CCC1CCCCN1CCCSC(=O)C 269982a_100000210034_100000038929 [0,1,0,1,0,0|2,0,0]=4 22717 B15R1.84 CCC1CCCCN1CCCSC(=O)C 34a_100000210034_100000038929 [0,1,0,1,0,0|2,0,0]=4 22718 B15R1.84 CCC1CCCCN1CCNCC(=O)N 2230a_100000755458_100000747473 [0,1,0,1,0,0|2,0,0]=4 22719 B15R1.84 CCC1CCCCN1CCNCC(=O)N 34a_100000755458_100000187820 [0,1,0,1,0,0|2,0,0]=4 22720 B15R1.84 CCC1CCCCN1CCNCC(=O)[O-] 34a_100000755458_100020667443 [0,1,0,1,0,0|2,0,0]=4 22721 B15R1.84 CCC1CCCCN1CCOCC(=O)N 2230a_100000210034_100000076697 [0,1,0,1,0,0|2,0,0]=4 22722 B15R1.84 CCC1CCCCN1CCOCC(=O)N 269982a_100000210034_100000076697 [0,1,0,1,0,0|2,0,0]=4 22723 B15R1.84 CCC1CCCCN1CCOCC(=O)N 34a_100000210034_100000076697 [0,1,0,1,0,0|2,0,0]=4 22724 B15R1.84 CCN1CCCCC1CNCCC(=O)N 2230a_100000754393_100000744528 [0,1,0,1,0,0|2,0,0]=4 22725 B15R1.84 CCN1CCCCC1CNCCC(=O)N 34a_100000754393_100000731001 [0,1,0,1,0,0|2,0,0]=4 22726 B15R1.84 CCN1CCCCC1COCCC(=O)C 7a_100000225091_100000053229 [0,1,0,1,0,0|2,0,0]=4 22727 B15R1.84 CCN1CCCCC1COCCC(=O)N 34a_100000225091_100000731001 [0,1,0,1,0,0|2,0,0]=4 22728 B15R1.84 CCN1CCCCC1COCCC(=O)N 7a_100000225091_100000744528 [0,1,0,1,0,0|2,0,0]=4 22729 B15R1.84 CC[C@H]1COCCN1CCCCC(=O)C 269982a_100016988097_100000735457 [0,1,0,1,0,0|2,0,0]=4 22730 B15R1.84 CC[C@H]1COCCN1CCCCC(=O)C 34a_100016988097_100009817362 [0,1,0,1,0,0|2,0,0]=4 22731 B15R1.84 CN[C@@H]1CCCC[C@H]1OCCCC(=O)C 34a_100000708425_100000685027 [0,1,0,1,0,0|2,0,0]=4 22732 B15R1.84 CN[C@@H]1CCCC[C@H]1OCCCC(=O)N 34a_100000708425_100102525003 [0,1,0,1,0,0|2,0,0]=4 22733 B15R1.84 COC1CCCCC1NCCCC(=O)C 34a_100011208099_100000685027 [0,1,0,1,0,0|2,0,0]=4 22734 B15R1.84 COC1CCCCC1NCCCC(=O)N 34a_100011208099_100102525003 [0,1,0,1,0,0|2,0,0]=4 22735 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)C 34a_200009815850_100000685027 [0,1,0,1,0,0|2,0,0]=4 22736 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)C 7a_200009815850_100011215641 [0,1,0,1,0,0|2,0,0]=4 22737 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)N 34a_200009815850_100102525003 [0,1,0,1,0,0|2,0,0]=4 22738 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)N 7a_200009815850_100102525003 [0,1,0,1,0,0|2,0,0]=4 22739 B15R1.84 NCC1CCCCC1OCCCC(=O)N 34a_100011216029_100102525003 [0,1,0,1,0,0|2,0,0]=4 22740 B15R1.95 CCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000749056 [0,1,0,1,0,0|1,0,0]=3 22741 B15R1.95 CCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000749056 [0,1,0,1,0,0|1,0,0]=3 22742 B15R1.95 CCC1CCCC1NCCCNC(=O)C 269862a_100000736810_100000749056 [0,1,0,1,0,0|2,0,0]=4 22743 B15R1.95 CCC1CCCC1NCCCNC(=O)C 270004a_100000736810_100000749056 [0,1,0,1,0,0|2,0,0]=4 22744 B15R1.95 CCC1CCCN1CCCCCC(=O)N 2230a_100000754278_100009817443 [0,1,0,1,0,0|1,0,0]=3 22745 B15R1.95 CCC1CCCN1CCCCCC(=O)N 269982a_100000754278_100009817443 [0,1,0,1,0,0|1,0,0]=3 22746 B15R1.95 CCC1CCCN1CCCCCC(=O)N 34a_100000754278_100009817443 [0,1,0,1,0,0|1,0,0]=3 22747 B15R1.95 CCC1CCCN1CCCCOC(=O)C 269982a_100000754278_100000033659 [0,1,0,1,0,0|2,0,0]=4 22748 B15R1.95 CCC1CCCN1CCCCOC(=O)C 34a_100000754278_100000033659 [0,1,0,1,0,0|2,0,0]=4 22749 B15R1.95 CCC1CCCN1CCCCSC(=O)C 2230a_100000754278_200010402107 [0,1,0,1,0,0|2,0,0]=4 22750 B15R1.95 CCC1CCCN1CCCCSC(=O)C 269982a_100000754278_200010402107 [0,1,0,1,0,0|2,0,0]=4 22751 B15R1.95 CCC1CCCN1CCCCSC(=O)C 34a_100000754278_200010402107 [0,1,0,1,0,0|2,0,0]=4 22752 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)C 34a_100011739246_100000685027 [0,1,0,1,0,0|2,0,0]=4 22753 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)C 7a_100011739246_100011215641 [0,1,0,1,0,0|2,0,0]=4 22754 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)N 34a_100011739246_100102525003 [0,1,0,1,0,0|2,0,0]=4 22755 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)N 7a_100011739246_100102525003 [0,1,0,1,0,0|2,0,0]=4 22756 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100009817443 [0,1,0,1,0,0|2,0,0]=4 22757 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100009817443 [0,1,0,1,0,0|2,0,0]=4 22758 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 34a_100000745186_100009817443 [0,1,0,1,0,0|2,0,0]=4 22759 B15R1.131 CC(=O)CCCCNC1CCCCC1C 34a_100000211402_100009817362 [0,1,0,1,0,0|1,0,0]=3 22760 B15R1.131 CC(=O)CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009817362 [0,1,0,1,0,0|2,0,0]=4 22761 B15R1.131 CC(=O)CCCCOC1CCCCC1=O 34a_100011214950_100009817362 [0,1,0,1,0,0|1,0,1]=4 22762 B15R1.131 CC(=O)CCCCOC1CCCCC1C 34a_100000211207_100009817362 [0,1,0,1,0,0|1,0,0]=3 22763 B15R1.131 CC(=O)CCCCOC1CCCCC1C 7a_100000211207_100000735457 [0,1,0,1,0,0|1,0,0]=3 22764 B15R1.131 CC(=O)CCCCOC1CCCCC1Cl 34a_100000038908_100009817362 [0,1,0,1,0,0|2,0,0]=4 22765 B15R1.131 CC(=O)CCCCOC1CCCCC1Cl 7a_100000038908_100000735457 [0,1,0,1,0,0|2,0,0]=4 22766 B15R1.131 CC(=O)CCCCOC1CCNCC1C 34a_100011998114_100009817362 [0,1,0,1,0,0|2,0,0]=4 22767 B15R1.131 CC(=O)CCCCOC1CNCCC1C 34a_100000696640_100009817362 [0,1,0,1,0,0|2,0,0]=4 22768 B15R1.131 CC(=O)CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009817362 [0,1,0,1,0,0|2,0,0]=4 22769 B15R1.131 CC(=O)CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000735457 [0,1,0,1,0,0|2,0,0]=4 22770 B15R1.131 CC(=O)CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817362 [0,1,0,1,0,0|2,0,0]=4 22771 B15R1.131 CC(=O)CCCCSC1CCCCC1=O 62a_100000204591_100000735457 [0,1,0,1,0,0|1,0,1]=4 22772 B15R1.131 CC(=O)CCCCSC1CCCCC1=O 62a_100000735457_100000204591 [0,1,0,1,0,0|1,0,1]=4 22773 B15R1.131 CC(=O)CCCCSC1CCCCC1F 62a_100000735457_100015423560 [0,1,0,1,0,0|2,0,0]=4 22774 B15R1.131 CC(=O)CCCCSC1CCCCC1F 62a_100015423560_100000735457 [0,1,0,1,0,0|2,0,0]=4 22775 B15R1.131 CC(=O)CCCCSC1CCCCC1O 62a_100000038908_100000735457 [0,1,0,1,0,0|2,0,0]=4 22776 B15R1.131 CC(=O)CCCCSC1CCCCC1O 62a_100000735457_100000038908 [0,1,0,1,0,0|2,0,0]=4 22777 B15R1.131 CC(=O)CCCNCC1CCCCC1O 34a_100011216029_100000685027 [0,1,0,1,0,0|2,0,0]=4 22778 B15R1.131 CC(=O)CCCNCC1CCCCN1C 34a_100011228421_100000685027 [0,1,0,1,0,0|2,0,0]=4 22779 B15R1.131 CC(=O)CCCOCC1CCCCC1=O 34a_100009861125_100000685027 [0,1,0,1,0,0|1,0,1]=4 22780 B15R1.131 CC(=O)CCCOCC1CCCCC1=O 7a_100009861125_100011215641 [0,1,0,1,0,0|1,0,1]=4 22781 B15R1.131 CC(=O)CCCOCC1CCCCN1C 34a_100000225079_100000685027 [0,1,0,1,0,0|2,0,0]=4 22782 B15R1.131 CC(=O)CCCOCC1CCCCN1C 34a_100000759063_100015186950 [0,1,0,1,0,0|2,0,0]=4 22783 B15R1.131 CC(=O)CCCOCC1CCCCN1C 7a_100000759063_100015185383 [0,1,0,1,0,0|2,0,0]=4 22784 B15R1.131 CC(=O)CCCSCC1CCCCN1C 62a_100011215641_100015185383 [0,1,0,1,0,0|2,0,0]=4 22785 B15R1.131 CC(=O)CCCSCC1CCCCN1C 62a_100015185383_100011215641 [0,1,0,1,0,0|2,0,0]=4 22786 B15R1.131 CC(=O)CCOCCC1CCCCN1C 34a_100000759926_100000211948 [0,1,0,1,0,0|2,0,0]=4 22787 B15R1.131 CC(=O)CCOCCC1CCCCN1C 7a_100000759926_100000211948 [0,1,0,1,0,0|2,0,0]=4 22788 B15R1.131 CC(=O)CCSCCC1CCCCN1C 62a_100000053229_100000211948 [0,1,0,1,0,0|2,0,0]=4 22789 B15R1.131 CC(=O)CCSCCC1CCCCN1C 62a_100000211948_100000053229 [0,1,0,1,0,0|2,0,0]=4 22790 B15R1.131 CC(=O)NCCCNC1CCCCC1C 269862a_100000736810_100000210921 [0,1,0,1,0,0|2,0,0]=4 22791 B15R1.131 CC(=O)NCCCNC1CCCCC1C 270004a_100000736810_100000210921 [0,1,0,1,0,0|2,0,0]=4 22792 B15R1.131 CC(=O)OCCCCN1CCCCC1C 269982a_100000211376_100000033659 [0,1,0,1,0,0|2,0,0]=4 22793 B15R1.131 CC(=O)OCCCCN1CCCCC1C 34a_100000211376_100000033659 [0,1,0,1,0,0|2,0,0]=4 22794 B15R1.131 CC(=O)OCCCNC1CCCCC1C 34a_100000211402_100000042594 [0,1,0,1,0,0|2,0,0]=4 22795 B15R1.131 CC(=O)OCCCOC1CCCCC1C 34a_100000211207_100000042594 [0,1,0,1,0,0|2,0,0]=4 22796 B15R1.131 CC(=O)OCCCOC1CCCCC1C 7a_100000211207_100000042594 [0,1,0,1,0,0|2,0,0]=4 22797 B15R1.131 CC(=O)SCCCCN1CCCCC1C 2230a_100000211376_200010402107 [0,1,0,1,0,0|2,0,0]=4 22798 B15R1.131 CC(=O)SCCCCN1CCCCC1C 269982a_100000211376_200010402107 [0,1,0,1,0,0|2,0,0]=4 22799 B15R1.131 CC(=O)SCCCCN1CCCCC1C 34a_100000211376_200010402107 [0,1,0,1,0,0|2,0,0]=4 22800 B15R1.131 CC(=O)SCCCNC1CCCCC1C 2230a_100000211402_100000038929 [0,1,0,1,0,0|2,0,0]=4 22801 B15R1.131 CC(=O)SCCCNC1CCCCC1C 34a_100000211402_100000038929 [0,1,0,1,0,0|2,0,0]=4 22802 B15R1.131 CC(=O)SCCCOC1CCCCC1C 34a_100000211207_100000038929 [0,1,0,1,0,0|2,0,0]=4 22803 B15R1.131 CC(=O)SCCCOC1CCCCC1C 7a_100000211207_100000038929 [0,1,0,1,0,0|2,0,0]=4 22804 B15R1.131 CC(C)CCCCNC1CCCNC1=O 2230a_100000747585_100011216152 [0,1,0,1,0,0|2,0,0]=4 22805 B15R1.131 CC(C)CCCCNC1CCCNC1=O 34a_100000747585_100011216152 [0,1,0,1,0,0|2,0,0]=4 22806 B15R1.131 CC(C)CCCCOC1CCCCC1=O 34a_100011214890_100000754470 [0,1,0,1,0,0|1,0,0]=3 22807 B15R1.131 CC(C)CCCCOC1CCCCC1=O 34a_100011214950_100011216152 [0,1,0,1,0,0|1,0,0]=3 22808 B15R1.131 CC(C)CCCCOC1CCCCC1=O 7a_100011214890_100000204591 [0,1,0,1,0,0|1,0,0]=3 22809 B15R1.131 CC(C)CCCCOC1CCCNC1=O 34a_100000073722_100011216152 [0,1,0,1,0,0|2,0,0]=4 22810 B15R1.131 CC(C)CCCCOC1CCCNC1=O 34a_100011214890_100000687798 [0,1,0,1,0,0|2,0,0]=4 22811 B15R1.131 CC(C)CCCCOC1CCCNC1=O 7a_100011214890_100000687798 [0,1,0,1,0,0|2,0,0]=4 22812 B15R1.131 CC(C)CCCCOC1COCCC1=O 34a_100011214890_100012180262 [0,1,0,1,0,0|2,0,0]=4 22813 B15R1.131 CC(C)CCCCOC1COCCC1=O 7a_100011214890_100012180262 [0,1,0,1,0,0|2,0,0]=4 22814 B15R1.131 CC(C)CCCCSC1CCCCC1=O 62a_100000204591_100011216152 [0,1,0,1,0,0|1,0,0]=3 22815 B15R1.131 CC(C)CCCCSC1CCCCC1=O 62a_100011216152_100000204591 [0,1,0,1,0,0|1,0,0]=3 22816 B15R1.131 CC(C)CCCCSC1CCCNC1=O 62a_100000687798_100011216152 [0,1,0,1,0,0|2,0,0]=4 22817 B15R1.131 CC(C)CCCCSC1CCCNC1=O 62a_100011216152_100000687798 [0,1,0,1,0,0|2,0,0]=4 22818 B15R1.131 CC(C)CCCCSC1COCCC1=O 62a_100011216152_100012180262 [0,1,0,1,0,0|2,0,0]=4 22819 B15R1.131 CC(C)CCCCSC1COCCC1=O 62a_100012180262_100011216152 [0,1,0,1,0,0|2,0,0]=4 22820 B15R1.131 CC(C)CCCOCC1CCCCC1=O 34a_100009861125_100011214892 [0,1,0,1,0,0|1,0,0]=3 22821 B15R1.131 CC(C)CCCOCC1CCCCC1=O 7a_100009861125_100011214892 [0,1,0,1,0,0|1,0,0]=3 22822 B15R1.131 CC(C)CCNCCN1CCCCC1=O 2230a_100160573077_100000210312 [0,1,0,1,0,0|2,0,0]=4 22823 B15R1.131 CC(C)CCNCCN1CCCCC1=O 269862a_100160573077_100000185833 [0,1,0,1,0,0|2,0,0]=4 22824 B15R1.131 CC(C)CCNCCN1CCCCC1=O 34a_100160573077_100000210312 [0,1,0,1,0,0|2,0,0]=4 22825 B15R1.131 CC(C)CNCCOC1CCCCC1=O 34a_100015185251_100000754470 [0,1,0,1,0,0|2,0,0]=4 22826 B15R1.131 CC(C)COCCOC1CCCCC1=O 34a_100000703358_100000754470 [0,1,0,1,0,0|2,0,0]=4 22827 B15R1.131 CC(C)COCCOC1CCCCC1=O 7a_100000703358_100000204591 [0,1,0,1,0,0|2,0,0]=4 22828 B15R1.131 CC(C)CSCCOC1CCCCC1=O 34a_200000230437_100000754470 [0,1,0,1,0,0|2,0,0]=4 22829 B15R1.131 CC(C)CSCCOC1CCCCC1=O 7a_200000230437_100000204591 [0,1,0,1,0,0|2,0,0]=4 22830 B15R1.131 CC(C)NCCCOC1CCCCC1=O 34a_100000182298_100000754470 [0,1,0,1,0,0|2,0,0]=4 22831 B15R1.131 CC(C)OCCCNC1CCCCC1=O 34a_100000737246_100000754470 [0,1,0,1,0,0|2,0,0]=4 22832 B15R1.131 CC(C)OCCOCC1CCCCC1=O 34a_100009861125_100000211751 [0,1,0,1,0,0|2,0,0]=4 22833 B15R1.131 CC(C)OCCOCC1CCCCC1=O 7a_100009861125_100000211751 [0,1,0,1,0,0|2,0,0]=4 22834 B15R1.131 CC(C)SCCOCC1CCCCC1=O 34a_100009861125_100000730970 [0,1,0,1,0,0|2,0,0]=4 22835 B15R1.131 CC(C)SCCOCC1CCCCC1=O 7a_100009861125_100000730970 [0,1,0,1,0,0|2,0,0]=4 22836 B15R1.131 CC(O)CCCOCC1CCCCC1=O 34a_100009861125_200000718107 [0,1,0,1,0,0|1,0,0]=3 22837 B15R1.131 CC(O)CCCOCC1CCCCC1=O 7a_100009861125_200000718107 [0,1,0,1,0,0|1,0,0]=3 22838 B15R1.131 CC(O)CCNCCN1CCCCC1=O 2230a_100160573077_100012276601 [0,1,0,1,0,0|2,0,0]=4 22839 B15R1.131 CC(O)CCNCCN1CCCCC1=O 34a_100160573077_100012276601 [0,1,0,1,0,0|2,0,0]=4 22840 B15R1.131 CC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000210921 [0,1,0,1,0,0|1,0,0]=3 22841 B15R1.131 CC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000210921 [0,1,0,1,0,0|1,0,0]=3 22842 B15R1.131 CC1CCCCC1NCCOCC(=O)N 2230a_100000211402_100000076697 [0,1,0,1,0,0|2,0,0]=4 22843 B15R1.131 CC1CCCCC1NCCOCC(=O)N 34a_100000211402_100000076697 [0,1,0,1,0,0|2,0,0]=4 22844 B15R1.131 CC1CCCCC1OCCOCC(=O)N 34a_100000211207_100000076697 [0,1,0,1,0,0|2,0,0]=4 22845 B15R1.131 CC1CCCCC1OCCOCC(=O)N 7a_100000211207_100000076697 [0,1,0,1,0,0|2,0,0]=4 22846 B15R1.131 CC1CCCCN1CCCCCC(=O)N 2230a_100000211376_100009817443 [0,1,0,1,0,0|1,0,0]=3 22847 B15R1.131 CC1CCCCN1CCCCCC(=O)N 269982a_100000211376_100009817443 [0,1,0,1,0,0|1,0,0]=3 22848 B15R1.131 CC1CCCCN1CCCCCC(=O)N 34a_100000211376_100009817443 [0,1,0,1,0,0|1,0,0]=3 22849 B15R1.131 CC1CCCCN1CCCNCC(=O)N 34a_100000212276_100000187820 [0,1,0,1,0,0|2,0,0]=4 22850 B15R1.131 CC1CCCCN1CCCNCC(=O)[O-] 34a_100000212276_100020667443 [0,1,0,1,0,0|2,0,0]=4 22851 B15R1.131 CC1CCCCN1CCCOCC(=O)N 34a_100000213889_100000187820 [0,1,0,1,0,0|2,0,0]=4 22852 B15R1.131 CC1CCCCN1CCCOCC(=O)N 7a_100000213889_100000187820 [0,1,0,1,0,0|2,0,0]=4 22853 B15R1.131 CC1CCCCN1CCCOCC(=O)[O-] 34a_100000213889_100020667443 [0,1,0,1,0,0|2,0,0]=4 22854 B15R1.131 CC1CCCCN1CCNCCC(=O)N 2230a_100000739827_100000744528 [0,1,0,1,0,0|2,0,0]=4 22855 B15R1.131 CC1CCCCN1CCNCCC(=O)N 34a_100000739827_100000731001 [0,1,0,1,0,0|2,0,0]=4 22856 B15R1.131 CC1CCCCN1CCOCCC(=O)N 34a_100011305533_100000731001 [0,1,0,1,0,0|2,0,0]=4 22857 B15R1.131 CC1CNCCC1NCCCCC(=O)N 270004a_100000696515_100000703950 [0,1,0,1,0,0|2,0,0]=4 22858 B15R1.131 CC1COCCC1NCCCCC(=O)N 270004a_100000696515_100000755695 [0,1,0,1,0,0|2,0,0]=4 22859 B15R1.131 CN(C)CCCCSC1CCCCC1=O 62a_100000204591_100000690147 [0,1,0,1,0,0|2,0,0]=4 22860 B15R1.131 CN(C)CCCOCC1CCCCC1=O 7a_100009861125_100000757444 [0,1,0,1,0,0|2,0,0]=4 22861 B15R1.131 CN1CCCCC1CCOCCC(=O)N 34a_100000757172_100000211948 [0,1,0,1,0,0|2,0,0]=4 22862 B15R1.131 CN1CCCCC1CCOCCC(=O)N 7a_100000757172_100000211948 [0,1,0,1,0,0|2,0,0]=4 22863 B15R1.131 CN1CCCCC1CCSCCC(=O)N 62a_100000211948_100000744528 [0,1,0,1,0,0|2,0,0]=4 22864 B15R1.131 CN1CCCCC1CCSCCC(=O)N 62a_100000744528_100000211948 [0,1,0,1,0,0|2,0,0]=4 22865 B15R1.131 CN1CCCCC1CNCCCC(=O)N 34a_100000739312_100015186950 [0,1,0,1,0,0|2,0,0]=4 22866 B15R1.131 CN1CCCCC1CNCCCC(=O)N 34a_100011228421_100102525003 [0,1,0,1,0,0|2,0,0]=4 22867 B15R1.131 CN1CCCCC1COCCCC(=O)N 34a_100000225079_100102525003 [0,1,0,1,0,0|2,0,0]=4 22868 B15R1.131 CN1CCCCC1CSCCCC(=O)N 62a_100015185383_100102525003 [0,1,0,1,0,0|2,0,0]=4 22869 B15R1.131 CN1CCCCC1CSCCCC(=O)N 62a_100102525003_100015185383 [0,1,0,1,0,0|2,0,0]=4 22870 B15R1.131 C[C@H]1COCCN1CCCCCC(=O)N 2230a_100009815349_100009817443 [0,1,0,1,0,0|2,0,0]=4 22871 B15R1.131 C[C@H]1COCCN1CCCCCC(=O)N 269982a_100009815349_100009817443 [0,1,0,1,0,0|2,0,0]=4 22872 B15R1.131 C[C@H]1COCCN1CCCCCC(=O)N 34a_100009815349_100009817443 [0,1,0,1,0,0|2,0,0]=4 22873 B15R1.131 NC(=O)CCCCNC1CCCCC1F 34a_100000696515_100015423560 [0,1,0,1,0,0|2,0,0]=4 22874 B15R1.131 NC(=O)CCCCNC1CCCCC1O 34a_100000696515_100000038908 [0,1,0,1,0,0|2,0,0]=4 22875 B15R1.131 NC(=O)CCCCOC1CCCCC1F 34a_100012022536_100015423560 [0,1,0,1,0,0|2,0,0]=4 22876 B15R1.131 NC(=O)CCCCOC1CCCCC1O 34a_100012022536_100000038908 [0,1,0,1,0,0|2,0,0]=4 22877 B15R1.131 NC(=O)CCCNCC1CCCCC1O 34a_100011216029_100102525003 [0,1,0,1,0,0|2,0,0]=4 22878 B15R1.241 C=CCCCCN1CCCCC1C(C)C 2230a_100000757267_100011215482 [0,1,0,1,0,0|2,0,0]=4 22879 B15R1.241 C=CCCCCN1CCCCC1C(C)C 269982a_100000757267_100011215482 [0,1,0,1,0,0|2,0,0]=4 22880 B15R1.241 C=CCCCCN1CCCCC1C(C)C 34a_100000757267_100011215482 [0,1,0,1,0,0|2,0,0]=4 22881 B15R1.241 C=CCCCOC1CCCCC1C(C)C 34a_100011709184_100000757094 [0,1,0,1,0,0|2,0,0]=4 22882 B15R1.241 C=CCCCOC1CCCCC1C(C)C 7a_100011709184_100000757094 [0,1,0,1,0,0|2,0,0]=4 22883 B15R1.241 CC(C)C1CCCCC1OCCCC=O 7a_100011709184_200011292268 [0,1,0,1,0,0|1,0,0]=3 22884 B15R1.241 CC(C)C1CCCCN1CCCCC=O 2230a_100000757267_100000139335 [0,1,0,1,0,0|1,0,0]=3 22885 B15R1.241 CC(C)C1CCCCN1CCCCC=O 269982a_100000757267_100000139335 [0,1,0,1,0,0|1,0,0]=3 22886 B15R1.241 CC(C)N1CCCCC1CCNCC=O 2230a_100011919236_200015260668 [0,1,0,1,0,0|2,0,0]=4 22887 B15R1.241 CC(C)N1CCCCC1CCNCC=O 34a_100011919236_200009817547 [0,1,0,1,0,0|2,0,0]=4 22888 B15R1.241 CC(C)[C@H]1COCCN1CCCCC=O 2230a_100025712635_100000139335 [0,1,0,1,0,0|2,0,0]=4 22889 B15R1.241 CC(C)[C@H]1COCCN1CCCCC=O 269982a_100025712635_100000139335 [0,1,0,1,0,0|2,0,0]=4 22890 B15R1.241 CCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210314 [0,1,0,1,0,0|1,0,0]=3 22891 B15R1.241 CCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210757 [0,1,0,1,0,0|1,0,0]=3 22892 B15R1.241 CCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210314 [0,1,0,1,0,0|1,0,0]=3 22893 B15R1.241 CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210757 [0,1,0,1,0,0|1,0,0]=3 22894 B15R1.241 CCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210757 [0,1,0,1,0,0|2,0,0]=4 22895 B15R1.241 CCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210757 [0,1,0,1,0,0|2,0,0]=4 22896 B15R1.241 CCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210757 [0,1,0,1,0,0|2,0,0]=4 22897 B15R1.241 CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210326 [0,1,0,1,0,0|1,0,0]=3 22898 B15R1.241 CCCCOCN1CCCCC1C(=O)N 2230a_100000181395_100011995733 [0,1,0,1,0,0|2,0,0]=4 22899 B15R1.241 CCCCOCN1CCCCC1C(=O)N 269982a_100000181395_100011995733 [0,1,0,1,0,0|2,0,0]=4 22900 B15R1.241 CCCCOCN1CCCCC1C(=O)N 34a_100000181395_100011995733 [0,1,0,1,0,0|2,0,0]=4 22901 B15R1.241 CCCCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011995733 [0,1,0,1,0,0|2,0,0]=4 22902 B15R1.241 CCCOCCN1CCCCC1C(=O)N 2230a_100000181395_100011215938 [0,1,0,1,0,0|2,0,0]=4 22903 B15R1.241 CCCOCCN1CCCCC1C(=O)N 269982a_100000181395_100011215938 [0,1,0,1,0,0|2,0,0]=4 22904 B15R1.241 CCCOCCN1CCCCC1C(=O)N 34a_100000181395_100011215938 [0,1,0,1,0,0|2,0,0]=4 22905 B15R1.241 CCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215938 [0,1,0,1,0,0|2,0,0]=4 22906 B15R1.241 CCOCCCN1CCCCC1C(=O)N 2230a_100000181395_100012232248 [0,1,0,1,0,0|2,0,0]=4 22907 B15R1.241 CCOCCCN1CCCCC1C(=O)N 269982a_100000181395_100012232248 [0,1,0,1,0,0|2,0,0]=4 22908 B15R1.241 CCOCCCN1CCCCC1C(=O)N 34a_100000181395_100012232248 [0,1,0,1,0,0|2,0,0]=4 22909 B15R1.241 CCOCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012232248 [0,1,0,1,0,0|2,0,0]=4 22910 B15R1.241 CCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210147 [0,1,0,1,0,0|2,0,0]=4 22911 B15R1.241 CCSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000757381 [0,1,0,1,0,0|2,0,0]=4 22912 B15R1.241 COCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000730899 [0,1,0,1,0,0|2,0,0]=4 22913 B15R1.241 COCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000730899 [0,1,0,1,0,0|2,0,0]=4 22914 B15R1.241 COCCCCN1CCCCC1C(=O)N 34a_100000181395_100000755781 [0,1,0,1,0,0|2,0,0]=4 22915 B15R1.241 COCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000730899 [0,1,0,1,0,0|2,0,0]=4 22916 B15R1.241 COCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000740836 [0,1,0,1,0,0|2,0,0]=4 22917 B15R1.241 NC(=O)C1CCCCN1CCCCCF 2230a_100000181395_100000729378 [0,1,0,1,0,0|2,0,0]=4 22918 B15R1.241 NC(=O)C1CCCCN1CCCCCF 269982a_100000181395_100000729378 [0,1,0,1,0,0|2,0,0]=4 22919 B15R1.241 NC(=O)C1CCCCN1CCCCCF 34a_100000181395_100000729378 [0,1,0,1,0,0|2,0,0]=4 22920 B15R1.241 NC(=O)C1CCCCN1CCCCCO 2230a_100000181395_100000746330 [0,1,0,1,0,0|2,0,0]=4 22921 B15R1.241 NC(=O)C1CCCCN1CCCCCO 269982a_100000181395_100000746330 [0,1,0,1,0,0|2,0,0]=4 22922 B15R1.241 NC(=O)C1CCCCN1CCCCCO 34a_100000181395_100000746330 [0,1,0,1,0,0|2,0,0]=4 22923 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCCCCF 269956a_100009816435_100000729493 [0,1,0,1,0,0|2,0,0]=4 22924 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCCCCO 269956a_100009816435_100000210776 [0,1,0,1,0,0|2,0,0]=4 22925 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCF 269956a_100000763471_100000729378 [0,1,0,1,0,0|2,0,0]=4 22926 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCO 269956a_100000763471_100000746330 [0,1,0,1,0,0|2,0,0]=4 22927 B15R1.248 C=CCCCCN1CCCC1CC(C)C 2230a_100000748429_100011215482 [0,1,0,1,0,0|2,0,0]=4 22928 B15R1.248 C=CCCCCN1CCCC1CC(C)C 269982a_100000748429_100011215482 [0,1,0,1,0,0|2,0,0]=4 22929 B15R1.248 C=CCCCCN1CCCC1CC(C)C 34a_100000748429_100011215482 [0,1,0,1,0,0|2,0,0]=4 22930 B15R1.248 CC(C)CC1CCCN1CCCCC=O 2230a_100000748429_100000139335 [0,1,0,1,0,0|1,0,0]=3 22931 B15R1.248 CC(C)CC1CCCN1CCCCC=O 269982a_100000748429_100000139335 [0,1,0,1,0,0|1,0,0]=3 22932 B15R1.248 CN(C)C[C@H]1CCCN1CCCCC=O 269982a_200020645772_100000139335 [0,1,0,1,0,0|2,0,0]=4 22933 B15R1.255 CC(=O)CCCCOCC1CCCN1C 34a_100000743107_100009817362 [0,1,0,1,0,0|2,0,0]=4 22934 B15R1.255 CC(=O)CCCOCCC1CCCN1C 34a_100000759063_100000005710 [0,1,0,1,0,0|2,0,0]=4 22935 B15R1.255 CC(=O)CCCOCCC1CCCN1C 34a_100011215177_100000685027 [0,1,0,1,0,0|2,0,0]=4 22936 B15R1.255 CC(=O)CCCOCCC1CCCN1C 7a_100000759063_100000005710 [0,1,0,1,0,0|2,0,0]=4 22937 B15R1.255 CC(=O)CCCOCCC1CCCN1C 7a_100011215177_100011215641 [0,1,0,1,0,0|2,0,0]=4 22938 B15R1.255 CC(=O)CCCSCCC1CCCN1C 62a_100000005710_100011215641 [0,1,0,1,0,0|2,0,0]=4 22939 B15R1.255 CC(=O)CCCSCCC1CCCN1C 62a_100011215641_100000005710 [0,1,0,1,0,0|2,0,0]=4 22940 B15R1.255 CC(=O)NCCCCNC1CCCC1C 269862a_200011368371_100000752053 [0,1,0,1,0,0|2,0,0]=4 22941 B15R1.255 CC(=O)OCCCCCN1CCC[C@@H]1C 2230a_100020605311_100009813381 [0,1,0,1,0,0|2,0,0]=4 22942 B15R1.255 CC(=O)OCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000033007 [0,1,0,1,0,0|2,0,0]=4 22943 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 2230a_100015189458_100009813381 [0,1,0,1,0,0|2,0,0]=4 22944 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 269982a_100015189458_100000033007 [0,1,0,1,0,0|2,0,0]=4 22945 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 34a_100015189458_100000033007 [0,1,0,1,0,0|2,0,0]=4 22946 B15R1.255 CC(=O)OCCCCOC1CCCC1C 34a_100011216460_100000033659 [0,1,0,1,0,0|2,0,0]=4 22947 B15R1.255 CC(=O)OCCCCOC1CCCC1C 7a_100011216460_100000033659 [0,1,0,1,0,0|2,0,0]=4 22948 B15R1.255 CC(=O)SCCCCOC1CCCC1C 34a_100011216460_200010402107 [0,1,0,1,0,0|2,0,0]=4 22949 B15R1.255 CC(=O)SCCCCOC1CCCC1C 7a_100011216460_200010402107 [0,1,0,1,0,0|2,0,0]=4 22950 B15R1.255 CC(C)CCCCCNC1CCCC1=O 2230a_100011290863_100000211823 [0,1,0,1,0,0|1,0,0]=3 22951 B15R1.255 CC(C)CCCCCNC1CCCC1=O 34a_100011290863_100000709159 [0,1,0,1,0,0|1,0,0]=3 22952 B15R1.255 CC(C)CCCCCNC1CCNC1=O 2230a_100016995588_100000210682 [0,1,0,1,0,0|2,0,0]=4 22953 B15R1.255 CC(C)CCCCCNC1CCNC1=O 34a_100016995588_100000210682 [0,1,0,1,0,0|2,0,0]=4 22954 B15R1.255 CC(C)CCCCCNC1CCOC1=O 2230a_100011290863_100000211211 [0,1,0,1,0,0|2,0,0]=4 22955 B15R1.255 CC(C)CCCCCNC1CCOC1=O 34a_100011290863_100000211211 [0,1,0,1,0,0|2,0,0]=4 22956 B15R1.255 CC(C)CCCCCOC1CCCC1=O 34a_100011995859_100000709159 [0,1,0,1,0,0|1,0,0]=3 22957 B15R1.255 CC(C)CCCCCOC1CCCC1=O 34a_200000719330_100000210682 [0,1,0,1,0,0|1,0,0]=3 22958 B15R1.255 CC(C)CCCCCOC1CCCC1=O 7a_100011995859_100000211823 [0,1,0,1,0,0|1,0,0]=3 22959 B15R1.255 CC(C)CCCCCOC1CCOC1=O 34a_100011995859_100000211211 [0,1,0,1,0,0|2,0,0]=4 22960 B15R1.255 CC(C)CCCCCOC1CCOC1=O 7a_100011995859_100000211211 [0,1,0,1,0,0|2,0,0]=4 22961 B15R1.255 CC(C)CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210682 [0,1,0,1,0,0|2,0,0]=4 22962 B15R1.255 CC(C)CCCCCSC1CCCC1=O 62a_100000210682_100000211823 [0,1,0,1,0,0|1,0,0]=3 22963 B15R1.255 CC(C)CCCCCSC1CCCC1=O 62a_100000211823_100000210682 [0,1,0,1,0,0|1,0,0]=3 22964 B15R1.255 CC(C)CCCCCSC1CCOC1=O 62a_100000210682_100000211211 [0,1,0,1,0,0|2,0,0]=4 22965 B15R1.255 CC(C)CCCCCSC1CCOC1=O 62a_100000211211_100000210682 [0,1,0,1,0,0|2,0,0]=4 22966 B15R1.255 CC(C)CCCCOCC1CCNC1=O 34a_100000133458_100011216152 [0,1,0,1,0,0|2,0,0]=4 22967 B15R1.255 CC(C)CCCCSCN1CCCC1=O 62a_100000026320_100011216152 [0,1,0,1,0,0|2,0,0]=4 22968 B15R1.255 CC(C)CCCCSCN1CCCC1=O 62a_100011216152_100000026320 [0,1,0,1,0,0|2,0,0]=4 22969 B15R1.255 CC(C)CCCNCCN1CCCC1=O 2230a_100011200922_100011214892 [0,1,0,1,0,0|2,0,0]=4 22970 B15R1.255 CC(C)CCCNCCN1CCCC1=O 2230a_200000737386_100000739059 [0,1,0,1,0,0|2,0,0]=4 22971 B15R1.255 CC(C)CCCNCCN1CCCC1=O 34a_200000737386_100000739059 [0,1,0,1,0,0|2,0,0]=4 22972 B15R1.255 CC(C)CCCOCCN1CCCC1=O 34a_100000210774_100000739059 [0,1,0,1,0,0|2,0,0]=4 22973 B15R1.255 CC(C)CCCOCCN1CCCC1=O 34a_100000211209_100011214892 [0,1,0,1,0,0|2,0,0]=4 22974 B15R1.255 CC(C)CCCOCCN1CCCC1=O 7a_100000210774_100000739059 [0,1,0,1,0,0|2,0,0]=4 22975 B15R1.255 CC(C)CCCOCCN1CCCC1=O 7a_100000211209_100011214892 [0,1,0,1,0,0|2,0,0]=4 22976 B15R1.255 CC(C)CCCSCCN1CCCC1=O 62a_100000739059_100011214892 [0,1,0,1,0,0|2,0,0]=4 22977 B15R1.255 CC(C)CCCSCCN1CCCC1=O 62a_100011214892_100000739059 [0,1,0,1,0,0|2,0,0]=4 22978 B15R1.255 CC(C)CCNCCCN1CCCC1=O 2230a_100000210347_100000210312 [0,1,0,1,0,0|2,0,0]=4 22979 B15R1.255 CC(C)CCNCCCN1CCCC1=O 269862a_100000210347_100000185833 [0,1,0,1,0,0|2,0,0]=4 22980 B15R1.255 CC(C)CCNCCCN1CCCC1=O 34a_100000210347_100000210312 [0,1,0,1,0,0|2,0,0]=4 22981 B15R1.255 CC(C)CCOCCCN1CCCC1=O 34a_100011216539_100000210312 [0,1,0,1,0,0|2,0,0]=4 22982 B15R1.255 CC(C)CCOCCCN1CCCC1=O 7a_100011216539_100000210626 [0,1,0,1,0,0|2,0,0]=4 22983 B15R1.255 CC(C)COCCCNC1CCCC1=O 2230a_100000205972_100000211823 [0,1,0,1,0,0|2,0,0]=4 22984 B15R1.255 CC(C)COCCCNC1CCCC1=O 34a_100000205972_100000709159 [0,1,0,1,0,0|2,0,0]=4 22985 B15R1.255 CC(C)NCCCCOC1CCCC1=O 34a_100011521146_100000709159 [0,1,0,1,0,0|2,0,0]=4 22986 B15R1.255 CC(O)CCCNCCN1CCCC1=O 2230a_100011200922_200000718107 [0,1,0,1,0,0|2,0,0]=4 22987 B15R1.255 CC(O)CCCOCCN1CCCC1=O 34a_100000211209_200000718107 [0,1,0,1,0,0|2,0,0]=4 22988 B15R1.255 CC(O)CCCOCCN1CCCC1=O 7a_100000211209_200000718107 [0,1,0,1,0,0|2,0,0]=4 22989 B15R1.255 CC(O)CCCSCCN1CCCC1=O 62a_100000739059_200000718107 [0,1,0,1,0,0|2,0,0]=4 22990 B15R1.255 CC(O)CCCSCCN1CCCC1=O 62a_200000718107_100000739059 [0,1,0,1,0,0|2,0,0]=4 22991 B15R1.255 CC(O)CCNCCCN1CCCC1=O 2230a_100000210347_100012276601 [0,1,0,1,0,0|2,0,0]=4 22992 B15R1.255 CC(O)CCNCCCN1CCCC1=O 34a_100000210347_100012276601 [0,1,0,1,0,0|2,0,0]=4 22993 B15R1.255 CC(O)CCOCCCN1CCCC1=O 34a_100011216539_100012276601 [0,1,0,1,0,0|2,0,0]=4 22994 B15R1.255 CC(O)CCOCCCN1CCCC1=O 7a_100011216539_100012276601 [0,1,0,1,0,0|2,0,0]=4 22995 B15R1.255 CC1CCCC1OCCCCCC(=O)N 34a_100011216460_100009817443 [0,1,0,1,0,0|1,0,0]=3 22996 B15R1.255 CC1CCCC1OCCCCCC(=O)N 7a_100011216460_100009817443 [0,1,0,1,0,0|1,0,0]=3 22997 B15R1.255 CN1CCCC1CCNCCCC(=O)N 34a_100000739312_100000005710 [0,1,0,1,0,0|2,0,0]=4 22998 B15R1.255 CN1CCCC1CCOCCCC(=O)N 34a_100011215177_100102525003 [0,1,0,1,0,0|2,0,0]=4 22999 B15R1.255 CN1CCCC1CCOCCCC(=O)N 7a_100011215177_100102525003 [0,1,0,1,0,0|2,0,0]=4 23000 B15R1.255 CN1CCCC1CCSCCCC(=O)N 62a_100000005710_100102525003 [0,1,0,1,0,0|2,0,0]=4 23001 B15R1.255 CN1CCCC1CCSCCCC(=O)N 62a_100102525003_100000005710 [0,1,0,1,0,0|2,0,0]=4 23002 B15R1.255 C[C@@H]1CNC[C@@H]1OCCCCCC(=O)N 34a_200015306588_100009817443 [0,1,0,1,0,0|2,0,0]=4 23003 B15R1.255 NC(=O)CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009817443 [0,1,0,1,0,0|2,0,0]=4 23004 B15R1.255 NC(=O)CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817443 [0,1,0,1,0,0|2,0,0]=4 23005 B15R1.255 NC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_100009817443_200016002552 [0,1,0,1,0,0|2,0,0]=4 23006 B15R1.255 NC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009817443 [0,1,0,1,0,0|2,0,0]=4 23007 B15R1.259 CC(=O)CCCCSCCC1CCC1=O 62a_100000735457_200016118888 [0,1,0,1,0,0|1,0,1]=4 23008 B15R1.259 CC(=O)CCCCSCCC1CCC1=O 62a_200016118888_100000735457 [0,1,0,1,0,0|1,0,1]=4 23009 B15R1.259 CC(C)CCCCCCNC1CCC1=O 34a_100000211014_100009892977 [0,1,0,1,0,0|1,0,0]=3 23010 B15R1.259 CC(C)CCCCOCCC1CCC1=O 7a_100011214890_200016118888 [0,1,0,1,0,0|1,0,0]=3 23011 B15R1.259 CC(C)CCCCSCCC1CCC1=O 62a_100011216152_200016118888 [0,1,0,1,0,0|1,0,0]=3 23012 B15R1.259 CC(C)CCCCSCCC1CCC1=O 62a_200016118888_100011216152 [0,1,0,1,0,0|1,0,0]=3 23013 B15R1.259 CC(C)COCCOCCC1CCC1=O 7a_100000703358_200016118888 [0,1,0,1,0,0|2,0,0]=4 23014 B15R1.259 CC(C)CSCCOCCC1CCC1=O 7a_200000230437_200016118888 [0,1,0,1,0,0|2,0,0]=4 23015 B15R1.259 CC(C)NCCCCCOC1CCC1=O 34a_100011629493_100009892977 [0,1,0,1,0,0|2,0,0]=4 23016 B15R1.259 CC(C)OCCCNCCC1CCC1=O 2230a_100000737246_200016118888 [0,1,0,1,0,0|2,0,0]=4 23017 B15R1.259 CN(C)CCCCSCCC1CCC1=O 62a_200016118888_100000690147 [0,1,0,1,0,0|2,0,0]=4 23018 B15R1.270 COCC1CCN1CCCCCC(=O)N 2230a_100015195929_100009817443 [0,1,0,1,0,0|2,0,0]=4 23019 B15R1.270 COCC1CCN1CCCCCC(=O)N 269982a_100015195929_100009817443 [0,1,0,1,0,0|2,0,0]=4 23020 B15R1.270 COCC1CCN1CCCCCC(=O)N 34a_100015195929_100009817443 [0,1,0,1,0,0|2,0,0]=4 23021 B15R1.351 CC(=O)CCCOC1CCCCCC1=O 7a_100000759063_100000243696 [0,1,0,1,0,0|1,0,1]=4 23022 B15R1.351 CC(=O)CCCSC1CCCCCC1=O 62a_100000243696_100011215641 [0,1,0,1,0,0|1,0,1]=4 23023 B15R1.351 CC(=O)CCCSC1CCCCCC1=O 62a_100011215641_100000243696 [0,1,0,1,0,0|1,0,1]=4 23024 B15R1.351 CC(C)CCCNC1CCCCNC1=O 2230a_100000698827_100011214892 [0,1,0,1,0,0|2,0,0]=4 23025 B15R1.351 CC(C)CCCNC1CCCCNC1=O 2230a_200000737386_100000735217 [0,1,0,1,0,0|2,0,0]=4 23026 B15R1.351 CC(C)CCCNC1CCCCNC1=O 34a_100000698827_100011214892 [0,1,0,1,0,0|2,0,0]=4 23027 B15R1.351 CC(C)CCCOC1CCCCCC1=O 7a_100000210774_100000243696 [0,1,0,1,0,0|1,0,0]=3 23028 B15R1.351 CC(C)CCCOC1CCCCNC1=O 7a_100000210774_100000735217 [0,1,0,1,0,0|2,0,0]=4 23029 B15R1.351 CC(C)CCCSC1CCCCCC1=O 62a_100000243696_100011214892 [0,1,0,1,0,0|1,0,0]=3 23030 B15R1.351 CC(C)CCCSC1CCCCCC1=O 62a_100011214892_100000243696 [0,1,0,1,0,0|1,0,0]=3 23031 B15R1.351 CC(C)CCCSC1CCCCNC1=O 62a_100000735217_100011214892 [0,1,0,1,0,0|2,0,0]=4 23032 B15R1.351 CC(C)CCCSC1CCCCNC1=O 62a_100011214892_100000735217 [0,1,0,1,0,0|2,0,0]=4 23033 B15R1.351 CC(C)NCCCN1CCCCCC1=O 2230a_100000195386_100000210206 [0,1,0,1,0,0|2,0,0]=4 23034 B15R1.351 CC(C)NCCCN1CCCCCC1=O 34a_100000195386_100000210206 [0,1,0,1,0,0|2,0,0]=4 23035 B15R1.351 CC(C)OCCOC1CCCCCC1=O 7a_100000211219_100000243696 [0,1,0,1,0,0|2,0,0]=4 23036 B15R1.351 CC(C)OCCSC1CCCCCC1=O 62a_100000211751_100000243696 [0,1,0,1,0,0|2,0,0]=4 23037 B15R1.351 CC(C)OCCSC1CCCCCC1=O 62a_100000243696_100000211751 [0,1,0,1,0,0|2,0,0]=4 23038 B15R1.351 CC(C)SCCOC1CCCCCC1=O 7a_200011212901_100000243696 [0,1,0,1,0,0|2,0,0]=4 23039 B15R1.351 CC(C)SCCSC1CCCCCC1=O 62a_100000243696_100000730970 [0,1,0,1,0,0|2,0,0]=4 23040 B15R1.351 CC(C)SCCSC1CCCCCC1=O 62a_100000730970_100000243696 [0,1,0,1,0,0|2,0,0]=4 23041 B15R1.351 CC(O)CCCNC1CCCCNC1=O 2230a_100000698827_200000718107 [0,1,0,1,0,0|2,0,0]=4 23042 B15R1.351 CC(O)CCCNC1CCCCNC1=O 34a_100000698827_200000718107 [0,1,0,1,0,0|2,0,0]=4 23043 B15R1.351 CC(O)CCCSC1CCCCCC1=O 62a_100000243696_200000718107 [0,1,0,1,0,0|1,0,0]=3 23044 B15R1.351 CC(O)CCCSC1CCCCCC1=O 62a_200000718107_100000243696 [0,1,0,1,0,0|1,0,0]=3 23045 B15R1.351 CC(O)CCCSC1CCCCNC1=O 62a_100000735217_200000718107 [0,1,0,1,0,0|2,0,0]=4 23046 B15R1.351 CC(O)CCCSC1CCCCNC1=O 62a_200000718107_100000735217 [0,1,0,1,0,0|2,0,0]=4 23047 B15R1.351 CN(C)CCCSC1CCCCCC1=O 62a_100000243696_100000757444 [0,1,0,1,0,0|2,0,0]=4 23048 B15R1.361 CC(=O)OCCCCCOCC1CC1C 34a_100000744939_100000033007 [0,1,0,1,0,0|2,0,0]=4 23049 B15R1.361 CC(=O)OCCCCCOCC1CC1C 7a_100000744939_100000033007 [0,1,0,1,0,0|2,0,0]=4 23050 B15R1.489 CC(=O)CCCCNCCC1CCCC1 34a_100000739158_100009817362 [0,1,0,1,0,0|1,0,0]=3 23051 B15R1.489 CC(=O)CCCCOCCC1CCCC1 34a_100000749090_100009817362 [0,1,0,1,0,0|1,0,0]=3 23052 B15R1.489 CC(=O)CCCCOCCC1CCCC1 7a_100000749090_100000735457 [0,1,0,1,0,0|1,0,0]=3 23053 B15R1.489 CC(=O)CCCCOCCC1CCNC1 34a_100016987287_100009817362 [0,1,0,1,0,0|2,0,0]=4 23054 B15R1.489 CC(=O)CCCCOCCC1CCOC1 34a_100011879284_100009817362 [0,1,0,1,0,0|2,0,0]=4 23055 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000735457_100000760354 [0,1,0,1,0,0|1,0,0]=3 23056 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000760354_100000735457 [0,1,0,1,0,0|1,0,0]=3 23057 B15R1.489 CC(=O)CCCCSCCN1CCCC1 62a_100000700749_100000735457 [0,1,0,1,0,0|2,0,0]=4 23058 B15R1.489 CC(=O)CCCCSCCN1CCCC1 62a_100000735457_100000004467 [0,1,0,1,0,0|2,0,0]=4 23059 B15R1.489 CC(=O)CCCNCCCC1CCCC1 34a_100000736752_100000685027 [0,1,0,1,0,0|1,0,0]=3 23060 B15R1.489 CC(=O)CCCNCCOC1CCCC1 34a_100000741755_100000685027 [0,1,0,1,0,0|2,0,0]=4 23061 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100000759063_100011713738 [0,1,0,1,0,0|1,0,0]=3 23062 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100011215328_100000685027 [0,1,0,1,0,0|1,0,0]=3 23063 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100000759063_100011713738 [0,1,0,1,0,0|1,0,0]=3 23064 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100011215328_100011215641 [0,1,0,1,0,0|1,0,0]=3 23065 B15R1.489 CC(=O)CCCOCCCN1CCCC1 34a_100000759063_100016991639 [0,1,0,1,0,0|2,0,0]=4 23066 B15R1.489 CC(=O)CCCOCCCN1CCCC1 7a_100000759063_100011445909 [0,1,0,1,0,0|2,0,0]=4 23067 B15R1.489 CC(=O)CCCOCCNC1CCCC1 34a_200000200444_100000685027 [0,1,0,1,0,0|2,0,0]=4 23068 B15R1.489 CC(=O)CCCOCCOC1CCCC1 34a_100000738311_100000685027 [0,1,0,1,0,0|2,0,0]=4 23069 B15R1.489 CC(=O)CCCOCCOC1CCCC1 7a_100000738311_100011215641 [0,1,0,1,0,0|2,0,0]=4 23070 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011215641_100011713738 [0,1,0,1,0,0|1,0,0]=3 23071 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011713738_100011215641 [0,1,0,1,0,0|1,0,0]=3 23072 B15R1.489 CC(=O)CCCSCCCN1CCCC1 62a_100011215641_100011445909 [0,1,0,1,0,0|2,0,0]=4 23073 B15R1.489 CC(=O)CCCSCCCN1CCCC1 62a_100016991639_100011215641 [0,1,0,1,0,0|2,0,0]=4 23074 B15R1.489 CC(=O)NCCCCCNC1CCCC1 2230a_200012022750_100000179811 [0,1,0,1,0,0|2,0,0]=4 23075 B15R1.489 CC(=O)NCCCCCNC1CCCC1 270004a_200012022750_100000210133 [0,1,0,1,0,0|2,0,0]=4 23076 B15R1.489 CC(=O)NCCCCCNC1CCCC1 34a_200012022750_100000179811 [0,1,0,1,0,0|2,0,0]=4 23077 B15R1.489 CC(=O)NCCCCNCC1CCCC1 2230a_200011368371_100000740388 [0,1,0,1,0,0|2,0,0]=4 23078 B15R1.489 CC(=O)NCCCCNCC1CCCC1 269862a_200011368371_100000746403 [0,1,0,1,0,0|2,0,0]=4 23079 B15R1.489 CC(=O)NCCCCNCC1CCCC1 34a_200011368371_100000740388 [0,1,0,1,0,0|2,0,0]=4 23080 B15R1.489 CC(=O)NCCCNCCC1CCCC1 34a_100000736810_100000760354 [0,1,0,1,0,0|2,0,0]=4 23081 B15R1.489 CC(=O)NCCCOCCC1CCCC1 34a_100000752032_100000760354 [0,1,0,1,0,0|2,0,0]=4 23082 B15R1.489 CC(=O)NCCNCCCC1CCCC1 2230a_100000209853_100011713738 [0,1,0,1,0,0|2,0,0]=4 23083 B15R1.489 CC(=O)NCCNCCCC1CCCC1 2230a_100000736752_100000189650 [0,1,0,1,0,0|2,0,0]=4 23084 B15R1.489 CC(=O)NCCOCCCC1CCCC1 34a_100000158858_100011713738 [0,1,0,1,0,0|2,0,0]=4 23085 B15R1.489 CC(=O)NCCOCCCC1CCCC1 7a_100011215328_100000189650 [0,1,0,1,0,0|2,0,0]=4 23086 B15R1.489 CC(=O)NCCSCCCC1CCCC1 62a_100000189650_100011713738 [0,1,0,1,0,0|2,0,0]=4 23087 B15R1.489 CC(=O)NCCSCCCC1CCCC1 62a_100011713738_100000189650 [0,1,0,1,0,0|2,0,0]=4 23088 B15R1.489 CC(=O)OCCCCCNC1CCCC1 2230a_100000211070_100009813381 [0,1,0,1,0,0|2,0,0]=4 23089 B15R1.489 CC(=O)OCCCCCNC1CCCC1 34a_100000211070_100000033007 [0,1,0,1,0,0|2,0,0]=4 23090 B15R1.489 CC(=O)OCCCCCOC1CCCC1 34a_100000210269_100000033007 [0,1,0,1,0,0|2,0,0]=4 23091 B15R1.489 CC(=O)OCCCCCOC1CCCC1 7a_100000210269_100000033007 [0,1,0,1,0,0|2,0,0]=4 23092 B15R1.489 CC(=O)OCCCCCSC1CCCC1 62a_100000033007_100000179811 [0,1,0,1,0,0|2,0,0]=4 23093 B15R1.489 CC(=O)OCCCCCSC1CCCC1 62a_100011217020_100000033007 [0,1,0,1,0,0|2,0,0]=4 23094 B15R1.489 CC(=O)OCCCCNCC1CCCC1 34a_100000737975_100000033659 [0,1,0,1,0,0|2,0,0]=4 23095 B15R1.489 CC(=O)OCCCCOCC1CCCC1 34a_100000073216_100000740388 [0,1,0,1,0,0|2,0,0]=4 23096 B15R1.489 CC(=O)OCCCCOCC1CCCC1 34a_100000742336_100000033659 [0,1,0,1,0,0|2,0,0]=4 23097 B15R1.489 CC(=O)OCCCCOCC1CCCC1 7a_100000073216_100000740388 [0,1,0,1,0,0|2,0,0]=4 23098 B15R1.489 CC(=O)OCCCCOCC1CCCC1 7a_100000742336_100000033659 [0,1,0,1,0,0|2,0,0]=4 23099 B15R1.489 CC(=O)OCCCCSCC1CCCC1 62a_100000033659_100000740388 [0,1,0,1,0,0|2,0,0]=4 23100 B15R1.489 CC(=O)OCCCCSCC1CCCC1 62a_100000740388_100000033659 [0,1,0,1,0,0|2,0,0]=4 23101 B15R1.489 CC(=O)OCCCNCCC1CCCC1 34a_100000739158_100000042594 [0,1,0,1,0,0|2,0,0]=4 23102 B15R1.489 CC(=O)OCCCOCCC1CCCC1 34a_100000749090_100000042594 [0,1,0,1,0,0|2,0,0]=4 23103 B15R1.489 CC(=O)OCCCOCCC1CCCC1 7a_100000749090_100000042594 [0,1,0,1,0,0|2,0,0]=4 23104 B15R1.489 CC(=O)OCCCSCCC1CCCC1 62a_100000042594_100000760354 [0,1,0,1,0,0|2,0,0]=4 23105 B15R1.489 CC(=O)OCCCSCCC1CCCC1 62a_100000760354_100000042594 [0,1,0,1,0,0|2,0,0]=4 23106 B15R1.489 CC(=O)OCCNCCCC1CCCC1 34a_100000736752_100009814007 [0,1,0,1,0,0|2,0,0]=4 23107 B15R1.489 CC(=O)OCCOCCCC1CCCC1 34a_100011215328_100009814007 [0,1,0,1,0,0|2,0,0]=4 23108 B15R1.489 CC(=O)OCCOCCCC1CCCC1 7a_100011215328_100009814007 [0,1,0,1,0,0|2,0,0]=4 23109 B15R1.489 CC(=O)OCCSCCCC1CCCC1 62a_100009814007_100011713738 [0,1,0,1,0,0|2,0,0]=4 23110 B15R1.489 CC(=O)OCCSCCCC1CCCC1 62a_100011713738_100009814007 [0,1,0,1,0,0|2,0,0]=4 23111 B15R1.489 CC(=O)SCCCCNCC1CCCC1 2230a_100000737975_200010402107 [0,1,0,1,0,0|2,0,0]=4 23112 B15R1.489 CC(=O)SCCCCNCC1CCCC1 34a_100000737975_200010402107 [0,1,0,1,0,0|2,0,0]=4 23113 B15R1.489 CC(=O)SCCCCOCC1CCCC1 34a_100000742336_200010402107 [0,1,0,1,0,0|2,0,0]=4 23114 B15R1.489 CC(=O)SCCCCOCC1CCCC1 7a_100000742336_200010402107 [0,1,0,1,0,0|2,0,0]=4 23115 B15R1.489 CC(=O)SCCCCSCC1CCCC1 62a_100000740388_200010402107 [0,1,0,1,0,0|2,0,0]=4 23116 B15R1.489 CC(=O)SCCCCSCC1CCCC1 62a_200010402107_100000740388 [0,1,0,1,0,0|2,0,0]=4 23117 B15R1.489 CC(=O)SCCCNCCC1CCCC1 2230a_100000739158_100000038929 [0,1,0,1,0,0|2,0,0]=4 23118 B15R1.489 CC(=O)SCCCNCCC1CCCC1 34a_100000739158_100000038929 [0,1,0,1,0,0|2,0,0]=4 23119 B15R1.489 CC(=O)SCCCOCCC1CCCC1 34a_100000749090_100000038929 [0,1,0,1,0,0|2,0,0]=4 23120 B15R1.489 CC(=O)SCCCOCCC1CCCC1 7a_100000749090_100000038929 [0,1,0,1,0,0|2,0,0]=4 23121 B15R1.489 CC(=O)SCCCSCCC1CCCC1 62a_100000038929_100000760354 [0,1,0,1,0,0|2,0,0]=4 23122 B15R1.489 CC(=O)SCCCSCCC1CCCC1 62a_100000760354_100000038929 [0,1,0,1,0,0|2,0,0]=4 23123 B15R1.489 CS(=O)CCCNCCCC1CCCC1 2230a_200000753449_100011713738 [0,1,0,1,0,0|2,0,0]=4 23124 B15R1.489 NC(=O)CCCCCNCC1CCCC1 2230a_100000737975_100009817443 [0,1,0,1,0,0|1,0,0]=3 23125 B15R1.489 NC(=O)CCCCCNCC1CCCC1 34a_100000737975_100009817443 [0,1,0,1,0,0|1,0,0]=3 23126 B15R1.489 NC(=O)CCCCCNCC1CCOC1 2230a_100000737293_100009817443 [0,1,0,1,0,0|2,0,0]=4 23127 B15R1.489 NC(=O)CCCCCNCC1CCOC1 34a_100000737293_100009817443 [0,1,0,1,0,0|2,0,0]=4 23128 B15R1.489 NC(=O)CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009817443 [0,1,0,1,0,0|2,0,0]=4 23129 B15R1.489 NC(=O)CCCCCNC[C@@H]1CCCO1 34a_100020590478_100009817443 [0,1,0,1,0,0|2,0,0]=4 23130 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000123541_100000740388 [0,1,0,1,0,0|1,0,0]=3 23131 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000742336_100009817443 [0,1,0,1,0,0|1,0,0]=3 23132 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000123541_100000740388 [0,1,0,1,0,0|1,0,0]=3 23133 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000742336_100009817443 [0,1,0,1,0,0|1,0,0]=3 23134 B15R1.489 NC(=O)CCCCCOCC1CCCO1 34a_100000210270_100009817443 [0,1,0,1,0,0|2,0,0]=4 23135 B15R1.489 NC(=O)CCCCCOCC1CCCO1 7a_100000123541_100000203698 [0,1,0,1,0,0|2,0,0]=4 23136 B15R1.489 NC(=O)CCCCCOCC1CCCO1 7a_100000210270_100009817443 [0,1,0,1,0,0|2,0,0]=4 23137 B15R1.489 NC(=O)CCCCCOCC1CCNC1 34a_100000748654_100009817443 [0,1,0,1,0,0|2,0,0]=4 23138 B15R1.489 NC(=O)CCCCCOCC1CCOC1 34a_100000123541_100011261433 [0,1,0,1,0,0|2,0,0]=4 23139 B15R1.489 NC(=O)CCCCCOCC1CCOC1 34a_100000740260_100009817443 [0,1,0,1,0,0|2,0,0]=4 23140 B15R1.489 NC(=O)CCCCCOCC1CCOC1 7a_100000123541_100000702531 [0,1,0,1,0,0|2,0,0]=4 23141 B15R1.489 NC(=O)CCCCCOC[C@H]1CCCN1 34a_100000745186_100009817443 [0,1,0,1,0,0|2,0,0]=4 23142 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100000740388_100009817443 [0,1,0,1,0,0|1,0,0]=3 23143 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100009817443_100000740388 [0,1,0,1,0,0|1,0,0]=3 23144 B15R1.489 NC(=O)CCCCCSCC1CCCO1 62a_100000203698_100009817443 [0,1,0,1,0,0|2,0,0]=4 23145 B15R1.489 NC(=O)CCCCCSCC1CCCO1 62a_100009817443_100000203698 [0,1,0,1,0,0|2,0,0]=4 23146 B15R1.489 NC(=O)CCCCCSCC1CCOC1 62a_100000702531_100009817443 [0,1,0,1,0,0|2,0,0]=4 23147 B15R1.489 NC(=O)CCCCCSCC1CCOC1 62a_100009817443_100000702531 [0,1,0,1,0,0|2,0,0]=4 23148 B15R1.489 NC(=O)CCCCNCCC1CCCC1 34a_100000696515_100000760354 [0,1,0,1,0,0|1,0,0]=3 23149 B15R1.489 NC(=O)CCCCOCCC1CCCC1 34a_100012022536_100000760354 [0,1,0,1,0,0|1,0,0]=3 23150 B15R1.489 NC(=O)CCCCOCCC1CCCC1 7a_100012022536_100000760354 [0,1,0,1,0,0|1,0,0]=3 23151 B15R1.489 NC(=O)CCCCOCCN1CCCC1 7a_100012022536_100000004467 [0,1,0,1,0,0|2,0,0]=4 23152 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000736752_100102525003 [0,1,0,1,0,0|1,0,0]=3 23153 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000739312_100011713738 [0,1,0,1,0,0|1,0,0]=3 23154 B15R1.489 NC(=O)CCCNCCCN1CCCC1 34a_100000739312_100016991639 [0,1,0,1,0,0|2,0,0]=4 23155 B15R1.489 NC(=O)CCCNCCOC1CCCC1 34a_100000741755_100102525003 [0,1,0,1,0,0|2,0,0]=4 23156 B15R1.489 NC(=O)CCCOCCCC1CCCC1 34a_100011215328_100102525003 [0,1,0,1,0,0|1,0,0]=3 23157 B15R1.489 NC(=O)CCCOCCCC1CCCC1 7a_100011215328_100102525003 [0,1,0,1,0,0|1,0,0]=3 23158 B15R1.489 NC(=O)CCCOCCNC1CCCC1 34a_200000200444_100102525003 [0,1,0,1,0,0|2,0,0]=4 23159 B15R1.489 NC(=O)CCCOCCOC1CCCC1 34a_100000738311_100102525003 [0,1,0,1,0,0|2,0,0]=4 23160 B15R1.489 NC(=O)CCCOCCOC1CCCC1 7a_100000738311_100102525003 [0,1,0,1,0,0|2,0,0]=4 23161 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100011713738_100102525003 [0,1,0,1,0,0|1,0,0]=3 23162 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100102525003_100011713738 [0,1,0,1,0,0|1,0,0]=3 23163 B15R1.489 NC(=O)CCCSCCCN1CCCC1 62a_100016991639_100102525003 [0,1,0,1,0,0|2,0,0]=4 23164 B15R1.489 NC(=O)CCCSCCCN1CCCC1 62a_100102525003_100011445909 [0,1,0,1,0,0|2,0,0]=4 23165 B15R1.489 NC(=O)CCNCCCOC1CCCC1 34a_100000747560_100000731001 [0,1,0,1,0,0|2,0,0]=4 23166 B15R1.489 NC(=O)COCCNCCC1CCCC1 2230a_100000739158_100000076697 [0,1,0,1,0,0|2,0,0]=4 23167 B15R1.489 NC(=O)COCCNCCC1CCCC1 34a_100000739158_100000076697 [0,1,0,1,0,0|2,0,0]=4 23168 B15R1.489 NC(=O)COCCOCCC1CCCC1 34a_100000749090_100000076697 [0,1,0,1,0,0|2,0,0]=4 23169 B15R1.489 NC(=O)COCCOCCC1CCCC1 7a_100000749090_100000076697 [0,1,0,1,0,0|2,0,0]=4 23170 B15R1.489 NC(=O)COCCSCCC1CCCC1 62a_100000076697_100000760354 [0,1,0,1,0,0|2,0,0]=4 23171 B15R1.489 NC(=O)COCCSCCC1CCCC1 62a_100000760354_100000076697 [0,1,0,1,0,0|2,0,0]=4 23172 B15R1.489 NC(=O)NCCNCCCC1CCCC1 2230a_100000736752_200000034859 [0,1,0,1,0,0|2,0,0]=4 23173 B15R1.489 NC(=O)NCCNCCCC1CCCC1 34a_100020590234_100011713738 [0,1,0,1,0,0|2,0,0]=4 23174 B15R1.489 NC(=O)NCCOCCCC1CCCC1 34a_100000181757_100011713738 [0,1,0,1,0,0|2,0,0]=4 23175 B15R1.489 NC(=O)NCCOCCCC1CCCC1 7a_100011215328_200000034859 [0,1,0,1,0,0|2,0,0]=4 23176 B15R1.489 NC(=O)NCCSCCCC1CCCC1 62a_100011713738_200000034859 [0,1,0,1,0,0|2,0,0]=4 23177 B15R1.489 NC(=O)NCCSCCCC1CCCC1 62a_200000034859_100011713738 [0,1,0,1,0,0|2,0,0]=4 23178 B15R1.489 NC(=O)OCCNCCCC1CCCC1 34a_100000736752_200011214921 [0,1,0,1,0,0|2,0,0]=4 23179 B15R1.489 NC(=O)OCCOCCCC1CCCC1 34a_100011215328_200011214921 [0,1,0,1,0,0|2,0,0]=4 23180 B15R1.489 NC(=O)OCCOCCCC1CCCC1 7a_100000766696_100011713738 [0,1,0,1,0,0|2,0,0]=4 23181 B15R1.489 NC(=O)OCCOCCCC1CCCC1 7a_100011215328_200011214921 [0,1,0,1,0,0|2,0,0]=4 23182 B15R1.489 NC(=O)OCCSCCCC1CCCC1 62a_100011713738_200011214921 [0,1,0,1,0,0|2,0,0]=4 23183 B15R1.489 NC(=O)OCCSCCCC1CCCC1 62a_200011214921_100011713738 [0,1,0,1,0,0|2,0,0]=4 23184 B15R1.489 O=C(O)COCCNCCC1CCCC1 269956a_100000700818_100000760354 [0,1,0,1,0,0|2,0,0]=4 23185 B15R1.489 O=C([O-])CCCCCOCC1CCCC1 7a_100102619762_100000740388 [0,1,0,1,0,0|1,0,0]=3 23186 B15R1.489 O=C([O-])CCCCCOCC1CCCO1 7a_100102619762_100000203698 [0,1,0,1,0,0|2,0,0]=4 23187 B15R1.489 O=C([O-])CCCCCOCC1CCOC1 7a_100102619762_100000702531 [0,1,0,1,0,0|2,0,0]=4 23188 B15R1.489 O=[N+]([O-])CCCCOCCC1CCCC1 34a_200015379883_100000760354 [0,1,0,1,0,0|2,0,0]=4 23189 B15R1.489 O=[N+]([O-])CCCCOCCC1CCCC1 7a_200015379883_100000760354 [0,1,0,1,0,0|2,0,0]=4 23190 B15R1.489 O=[N+]([O-])CCCOCCCC1CCCC1 34a_200000037920_100011713738 [0,1,0,1,0,0|2,0,0]=4 23191 B15R1.504 C=C(Br)CCOCCCC1CCCCC1 34a_100009813270_100011713725 [0,1,0,1,0,0|2,0,0]=4 23192 B15R1.504 C=C(C)CCNCCCC1CCCCC1 2230a_100011211642_100000730704 [0,1,0,1,0,0|2,0,0]=4 23193 B15R1.504 C=C(C)CCNCCCC1CCCCC1 34a_100011211642_100000730704 [0,1,0,1,0,0|2,0,0]=4 23194 B15R1.504 C=C(C)CCOCCCC1CCCCC1 34a_100000198086_100000730704 [0,1,0,1,0,0|2,0,0]=4 23195 B15R1.504 C=C(C)CCOCCCC1CCCCC1 34a_100000764851_100011713725 [0,1,0,1,0,0|2,0,0]=4 23196 B15R1.504 C=C(C)CCOCCCC1CCCCC1 7a_100000198086_100000730704 [0,1,0,1,0,0|2,0,0]=4 23197 B15R1.504 C=C(C)CCSCCCC1CCCCC1 62a_100000730704_100011713725 [0,1,0,1,0,0|2,0,0]=4 23198 B15R1.504 C=C(C)CCSCCCC1CCCCC1 62a_100011713725_100000730704 [0,1,0,1,0,0|2,0,0]=4 23199 B15R1.504 C=C(C)COCCCCC1CCCCC1 34a_100011215267_100000748629 [0,1,0,1,0,0|2,0,0]=4 23200 B15R1.504 C=C(C)COCCCCC1CCCCC1 7a_100011215267_100000748629 [0,1,0,1,0,0|2,0,0]=4 23201 B15R1.504 C=C(F)COCCCCC1CCCCC1 34a_100011215267_100009893438 [0,1,0,1,0,0|2,0,0]=4 23202 B15R1.504 C=C(F)COCCCCC1CCCCC1 7a_100011215267_100000042424 [0,1,0,1,0,0|2,0,0]=4 23203 B15R1.504 CC(=O)CCCCNCC1CCCCC1 34a_100000210473_100009817362 [0,1,0,1,0,0|1,0,0]=3 23204 B15R1.504 CC(=O)CCCCNCC1CCCCO1 34a_100000174945_100009817362 [0,1,0,1,0,0|2,0,0]=4 23205 B15R1.504 CC(=O)CCCCNCC1CCCOC1 34a_100000720124_100009817362 [0,1,0,1,0,0|2,0,0]=4 23206 B15R1.504 CC(=O)CCCCNCC1CCOCC1 34a_100000746373_100009817362 [0,1,0,1,0,0|2,0,0]=4 23207 B15R1.504 CC(=O)CCCCNCC1CCSCC1 34a_100015188806_100009817362 [0,1,0,1,0,0|2,0,0]=4 23208 B15R1.504 CC(=O)CCCCOCC1CCCCC1 34a_100000212181_100009817362 [0,1,0,1,0,0|1,0,0]=3 23209 B15R1.504 CC(=O)CCCCOCC1CCCCC1 7a_100000212181_100000735457 [0,1,0,1,0,0|1,0,0]=3 23210 B15R1.504 CC(=O)CCCCOCC1CCCCN1 34a_100000210821_100009817362 [0,1,0,1,0,0|2,0,0]=4 23211 B15R1.504 CC(=O)CCCCOCC1CCCCO1 34a_100000211370_100009817362 [0,1,0,1,0,0|2,0,0]=4 23212 B15R1.504 CC(=O)CCCCOCC1CCCCO1 7a_100000211370_100000735457 [0,1,0,1,0,0|2,0,0]=4 23213 B15R1.504 CC(=O)CCCCOCC1CCCNC1 34a_100000211344_100009817362 [0,1,0,1,0,0|2,0,0]=4 23214 B15R1.504 CC(=O)CCCCOCC1CCCOC1 34a_100000741520_100009817362 [0,1,0,1,0,0|2,0,0]=4 23215 B15R1.504 CC(=O)CCCCOCC1CCNCC1 34a_100000738675_100009817362 [0,1,0,1,0,0|2,0,0]=4 23216 B15R1.504 CC(=O)CCCCOCC1CCOCC1 34a_100000749013_100009817362 [0,1,0,1,0,0|2,0,0]=4 23217 B15R1.504 CC(=O)CCCCOCC1CCSCC1 34a_100000070558_100009817362 [0,1,0,1,0,0|2,0,0]=4 23218 B15R1.504 CC(=O)CCCCOCC1CCSCC1 7a_100000070558_100000735457 [0,1,0,1,0,0|2,0,0]=4 23219 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000211423_100000735457 [0,1,0,1,0,0|1,0,0]=3 23220 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000735457_100000211423 [0,1,0,1,0,0|1,0,0]=3 23221 B15R1.504 CC(=O)CCCCSCC1CCCCO1 62a_100000211543_100000735457 [0,1,0,1,0,0|2,0,0]=4 23222 B15R1.504 CC(=O)CCCCSCC1CCCCO1 62a_100000735457_100000211543 [0,1,0,1,0,0|2,0,0]=4 23223 B15R1.504 CC(=O)CCCCSCC1CCCOC1 62a_100000735457_100000741521 [0,1,0,1,0,0|2,0,0]=4 23224 B15R1.504 CC(=O)CCCCSCC1CCCOC1 62a_100000741521_100000735457 [0,1,0,1,0,0|2,0,0]=4 23225 B15R1.504 CC(=O)CCCCSCC1CCOCC1 62a_100000735457_100000749018 [0,1,0,1,0,0|2,0,0]=4 23226 B15R1.504 CC(=O)CCCCSCC1CCOCC1 62a_100000754603_100000735457 [0,1,0,1,0,0|2,0,0]=4 23227 B15R1.504 CC(=O)CCCNCCC1CCCCC1 34a_100000738074_100000685027 [0,1,0,1,0,0|1,0,0]=3 23228 B15R1.504 CC(=O)CCCNCCC1CCCCO1 34a_100015183643_100000685027 [0,1,0,1,0,0|2,0,0]=4 23229 B15R1.504 CC(=O)CCCNCCC1CCOCC1 34a_100000755988_100000685027 [0,1,0,1,0,0|2,0,0]=4 23230 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100000759063_100011209188 [0,1,0,1,0,0|1,0,0]=3 23231 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100011217863_100000685027 [0,1,0,1,0,0|1,0,0]=3 23232 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100000759063_100011273959 [0,1,0,1,0,0|1,0,0]=3 23233 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100011217863_100011215641 [0,1,0,1,0,0|1,0,0]=3 23234 B15R1.504 CC(=O)CCCOCCC1CCCCN1 34a_100000211664_100000685027 [0,1,0,1,0,0|2,0,0]=4 23235 B15R1.504 CC(=O)CCCOCCC1CCCNC1 34a_100000752241_100000685027 [0,1,0,1,0,0|2,0,0]=4 23236 B15R1.504 CC(=O)CCCOCCC1CCNCC1 34a_100015190746_100000685027 [0,1,0,1,0,0|2,0,0]=4 23237 B15R1.504 CC(=O)CCCOCCC1CCOCC1 34a_100000759063_100011934994 [0,1,0,1,0,0|2,0,0]=4 23238 B15R1.504 CC(=O)CCCOCCC1CCOCC1 34a_100011933979_100000685027 [0,1,0,1,0,0|2,0,0]=4 23239 B15R1.504 CC(=O)CCCOCCC1CCOCC1 7a_100000759063_100011934994 [0,1,0,1,0,0|2,0,0]=4 23240 B15R1.504 CC(=O)CCCOCCC1CCOCC1 7a_100011933979_100011215641 [0,1,0,1,0,0|2,0,0]=4 23241 B15R1.504 CC(=O)CCCOCCN1CCCCC1 34a_100000759063_100000739454 [0,1,0,1,0,0|2,0,0]=4 23242 B15R1.504 CC(=O)CCCOCCN1CCCCC1 7a_100000759063_100000739454 [0,1,0,1,0,0|2,0,0]=4 23243 B15R1.504 CC(=O)CCCOCOC1CCCCC1 34a_100000759063_100011935260 [0,1,0,1,0,0|2,0,0]=4 23244 B15R1.504 CC(=O)CCCOCOC1CCCCC1 7a_100000759063_100011935260 [0,1,0,1,0,0|2,0,0]=4 23245 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100011215641_100012355289 [0,1,0,1,0,0|1,0,0]=3 23246 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100012355289_100011215641 [0,1,0,1,0,0|1,0,0]=3 23247 B15R1.504 CC(=O)CCCSCCC1CCOCC1 62a_100011215641_100011934994 [0,1,0,1,0,0|2,0,0]=4 23248 B15R1.504 CC(=O)CCCSCCC1CCOCC1 62a_100011934994_100011215641 [0,1,0,1,0,0|2,0,0]=4 23249 B15R1.504 CC(=O)CCCSCCN1CCCCC1 62a_100000739454_100011215641 [0,1,0,1,0,0|2,0,0]=4 23250 B15R1.504 CC(=O)CCCSCCN1CCCCC1 62a_100011215641_100000739454 [0,1,0,1,0,0|2,0,0]=4 23251 B15R1.504 CC(=O)CCCSCOC1CCCCC1 62a_100011215641_100011935260 [0,1,0,1,0,0|2,0,0]=4 23252 B15R1.504 CC(=O)CCCSCOC1CCCCC1 62a_100011935260_100011215641 [0,1,0,1,0,0|2,0,0]=4 23253 B15R1.504 CC(=O)CCOCCCC1CCCCC1 34a_100000759926_100011713725 [0,1,0,1,0,0|1,0,0]=3 23254 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000053229 [0,1,0,1,0,0|1,0,0]=3 23255 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000759926_100011713725 [0,1,0,1,0,0|1,0,0]=3 23256 B15R1.504 CC(=O)CCOCCCN1CCCCC1 34a_100000759926_100000690320 [0,1,0,1,0,0|2,0,0]=4 23257 B15R1.504 CC(=O)CCOCCCN1CCCCC1 7a_100000759926_100000007876 [0,1,0,1,0,0|2,0,0]=4 23258 B15R1.504 CC(=O)CCOCCOC1CCCCC1 34a_100000759926_100011211530 [0,1,0,1,0,0|2,0,0]=4 23259 B15R1.504 CC(=O)CCOCCOC1CCCCC1 7a_100000759926_100011211530 [0,1,0,1,0,0|2,0,0]=4 23260 B15R1.504 CC(=O)CCOCCOC1CCCCC1 7a_100011249652_100000053229 [0,1,0,1,0,0|2,0,0]=4 23261 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100000053229_100011713725 [0,1,0,1,0,0|1,0,0]=3 23262 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000053229 [0,1,0,1,0,0|1,0,0]=3 23263 B15R1.504 CC(=O)CCSCCCN1CCCCC1 62a_100000053229_100000007876 [0,1,0,1,0,0|2,0,0]=4 23264 B15R1.504 CC(=O)CCSCCCN1CCCCC1 62a_100132302099_100000053229 [0,1,0,1,0,0|2,0,0]=4 23265 B15R1.504 CC(=O)CCSCCOC1CCCCC1 62a_100000053229_100011211530 [0,1,0,1,0,0|2,0,0]=4 23266 B15R1.504 CC(=O)CCSCCOC1CCCCC1 62a_100011211530_100000053229 [0,1,0,1,0,0|2,0,0]=4 23267 B15R1.504 CC(=O)NCCCCCN1CCCCC1 240690a_100000754421_100015343762 [0,1,0,1,0,0|2,0,0]=4 23268 B15R1.504 CC(=O)NCCCCCN1CCCCC1 527a_100000754421_100103153847 [0,1,0,1,0,0|2,0,0]=4 23269 B15R1.504 CC(=O)NCCCCNC1CCCCC1 270004a_200011368371_100000210434 [0,1,0,1,0,0|2,0,0]=4 23270 B15R1.504 CC(=O)NCCCCNC1CCCCC1 34a_200011368371_100000210327 [0,1,0,1,0,0|2,0,0]=4 23271 B15R1.504 CC(=O)NCCCNCC1CCCCC1 269862a_100000736810_100000211278 [0,1,0,1,0,0|2,0,0]=4 23272 B15R1.504 CC(=O)NCCCNCC1CCCCC1 34a_100000736810_100000211423 [0,1,0,1,0,0|2,0,0]=4 23273 B15R1.504 CC(=O)NCCCOCC1CCCCC1 34a_100000752032_100000211423 [0,1,0,1,0,0|2,0,0]=4 23274 B15R1.504 CC(=O)NCCNCCC1CCCCC1 2230a_100000209853_100012355289 [0,1,0,1,0,0|2,0,0]=4 23275 B15R1.504 CC(=O)NCCNCCC1CCCCC1 2230a_100000738074_100000189650 [0,1,0,1,0,0|2,0,0]=4 23276 B15R1.504 CC(=O)NCCOCCC1CCCCC1 34a_100000158858_100011209188 [0,1,0,1,0,0|2,0,0]=4 23277 B15R1.504 CC(=O)NCCOCCC1CCCCC1 7a_100011217863_100000189650 [0,1,0,1,0,0|2,0,0]=4 23278 B15R1.504 CC(=O)NCCSCCC1CCCCC1 62a_100000189650_100012355289 [0,1,0,1,0,0|2,0,0]=4 23279 B15R1.504 CC(=O)NCCSCCC1CCCCC1 62a_100012355289_100000189650 [0,1,0,1,0,0|2,0,0]=4 23280 B15R1.504 CC(=O)OCCCCNC1CCCCC1 34a_100000182618_100000033659 [0,1,0,1,0,0|2,0,0]=4 23281 B15R1.504 CC(=O)OCCCCOC1CCCCC1 34a_100000073216_100000210327 [0,1,0,1,0,0|2,0,0]=4 23282 B15R1.504 CC(=O)OCCCCOC1CCCCC1 34a_100000210231_100000033659 [0,1,0,1,0,0|2,0,0]=4 23283 B15R1.504 CC(=O)OCCCCOC1CCCCC1 7a_100000073216_100000210327 [0,1,0,1,0,0|2,0,0]=4 23284 B15R1.504 CC(=O)OCCCCOC1CCCCC1 7a_100000210231_100000033659 [0,1,0,1,0,0|2,0,0]=4 23285 B15R1.504 CC(=O)OCCCCSC1CCCCC1 62a_100000033659_100000210327 [0,1,0,1,0,0|2,0,0]=4 23286 B15R1.504 CC(=O)OCCCCSC1CCCCC1 62a_100000210327_100000033659 [0,1,0,1,0,0|2,0,0]=4 23287 B15R1.504 CC(=O)OCCCNCC1CCCCC1 34a_100000210473_100000042594 [0,1,0,1,0,0|2,0,0]=4 23288 B15R1.504 CC(=O)OCCCOCC1CCCCC1 34a_100000212181_100000042594 [0,1,0,1,0,0|2,0,0]=4 23289 B15R1.504 CC(=O)OCCCOCC1CCCCC1 7a_100000212181_100000042594 [0,1,0,1,0,0|2,0,0]=4 23290 B15R1.504 CC(=O)OCCCSCC1CCCCC1 62a_100000042594_100000211423 [0,1,0,1,0,0|2,0,0]=4 23291 B15R1.504 CC(=O)OCCCSCC1CCCCC1 62a_100000211423_100000042594 [0,1,0,1,0,0|2,0,0]=4 23292 B15R1.504 CC(=O)OCCNCCC1CCCCC1 34a_100000738074_100009814007 [0,1,0,1,0,0|2,0,0]=4 23293 B15R1.504 CC(=O)OCCOCCC1CCCCC1 34a_100011217863_100009814007 [0,1,0,1,0,0|2,0,0]=4 23294 B15R1.504 CC(=O)OCCOCCC1CCCCC1 7a_100011217863_100009814007 [0,1,0,1,0,0|2,0,0]=4 23295 B15R1.504 CC(=O)OCCSCCC1CCCCC1 62a_100009814007_100012355289 [0,1,0,1,0,0|2,0,0]=4 23296 B15R1.504 CC(=O)OCCSCCC1CCCCC1 62a_100012355289_100009814007 [0,1,0,1,0,0|2,0,0]=4 23297 B15R1.504 CC(=O)OCNCCCC1CCCCC1 34a_100011211642_100009813279 [0,1,0,1,0,0|2,0,0]=4 23298 B15R1.504 CC(=O)OCOCCCC1CCCCC1 34a_100000198086_100009813279 [0,1,0,1,0,0|2,0,0]=4 23299 B15R1.504 CC(=O)OCSCCCC1CCCCC1 62a_100000076356_100011713725 [0,1,0,1,0,0|2,0,0]=4 23300 B15R1.504 CC(=O)OCSCCCC1CCCCC1 62a_100011713725_100000076356 [0,1,0,1,0,0|2,0,0]=4 23301 B15R1.504 CC(=O)SCCCCNC1CCCCC1 2230a_100000182618_200010402107 [0,1,0,1,0,0|2,0,0]=4 23302 B15R1.504 CC(=O)SCCCCNC1CCCCC1 34a_100000182618_200010402107 [0,1,0,1,0,0|2,0,0]=4 23303 B15R1.504 CC(=O)SCCCCOC1CCCCC1 34a_100000210231_200010402107 [0,1,0,1,0,0|2,0,0]=4 23304 B15R1.504 CC(=O)SCCCCOC1CCCCC1 7a_100000210231_200010402107 [0,1,0,1,0,0|2,0,0]=4 23305 B15R1.504 CC(=O)SCCCCSC1CCCCC1 62a_100000210327_200010402107 [0,1,0,1,0,0|2,0,0]=4 23306 B15R1.504 CC(=O)SCCCCSC1CCCCC1 62a_200010402107_100000210327 [0,1,0,1,0,0|2,0,0]=4 23307 B15R1.504 CC(=O)SCCCNCC1CCCCC1 2230a_100000210473_100000038929 [0,1,0,1,0,0|2,0,0]=4 23308 B15R1.504 CC(=O)SCCCNCC1CCCCC1 34a_100000210473_100000038929 [0,1,0,1,0,0|2,0,0]=4 23309 B15R1.504 CC(=O)SCCCOCC1CCCCC1 34a_100000212181_100000038929 [0,1,0,1,0,0|2,0,0]=4 23310 B15R1.504 CC(=O)SCCCOCC1CCCCC1 7a_100000212181_100000038929 [0,1,0,1,0,0|2,0,0]=4 23311 B15R1.504 CC(=O)SCCCSCC1CCCCC1 62a_100000038929_100000211423 [0,1,0,1,0,0|2,0,0]=4 23312 B15R1.504 CC(=O)SCCCSCC1CCCCC1 62a_100000211423_100000038929 [0,1,0,1,0,0|2,0,0]=4 23313 B15R1.504 CC(C)CCCCCNC1C=CCCC1 2230a_100011290863_100000751183 [0,1,0,1,0,0|2,0,0]=4 23314 B15R1.504 CC(C)CCCCCOC1C=CCCC1 34a_100011215024_100000210682 [0,1,0,1,0,0|2,0,0]=4 23315 B15R1.504 CC(C)CCCCCOC1C=CCCC1 7a_100011995859_100000751183 [0,1,0,1,0,0|2,0,0]=4 23316 B15R1.504 CC(C)CCCCCSC1C=CCCC1 62a_100000210682_100000751183 [0,1,0,1,0,0|2,0,0]=4 23317 B15R1.504 CC(C)CCCCCSC1C=CCCC1 62a_100000751183_100000210682 [0,1,0,1,0,0|2,0,0]=4 23318 B15R1.504 CS(=O)CCCNCCC1CCCCC1 2230a_200000753449_100012355289 [0,1,0,1,0,0|2,0,0]=4 23319 B15R1.504 CS(=O)CCCNCCC1CCCCC1 270004a_200000753449_100011713444 [0,1,0,1,0,0|2,0,0]=4 23320 B15R1.504 NC(=O)CCCCCNC1CCCCC1 2230a_100000182618_100009817443 [0,1,0,1,0,0|1,0,0]=3 23321 B15R1.504 NC(=O)CCCCCNC1CCCCC1 34a_100000182618_100009817443 [0,1,0,1,0,0|1,0,0]=3 23322 B15R1.504 NC(=O)CCCCCNC1CCCOC1 2230a_100000719290_100009817443 [0,1,0,1,0,0|2,0,0]=4 23323 B15R1.504 NC(=O)CCCCCNC1CCCOC1 34a_100000719290_100009817443 [0,1,0,1,0,0|2,0,0]=4 23324 B15R1.504 NC(=O)CCCCCNC1CCOCC1 2230a_100000741149_100009817443 [0,1,0,1,0,0|2,0,0]=4 23325 B15R1.504 NC(=O)CCCCCNC1CCOCC1 34a_100000741149_100009817443 [0,1,0,1,0,0|2,0,0]=4 23326 B15R1.504 NC(=O)CCCCCNC1CCSCC1 2230a_100000748639_100009817443 [0,1,0,1,0,0|2,0,0]=4 23327 B15R1.504 NC(=O)CCCCCNC1CCSCC1 34a_100000748639_100009817443 [0,1,0,1,0,0|2,0,0]=4 23328 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000123541_100000210327 [0,1,0,1,0,0|1,0,0]=3 23329 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000210231_100009817443 [0,1,0,1,0,0|1,0,0]=3 23330 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000123541_100000210327 [0,1,0,1,0,0|1,0,0]=3 23331 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000210231_100009817443 [0,1,0,1,0,0|1,0,0]=3 23332 B15R1.504 NC(=O)CCCCCOC1CCCCO1 34a_100000033831_100009817443 [0,1,0,1,0,0|2,0,0]=4 23333 B15R1.504 NC(=O)CCCCCOC1CCCOC1 34a_100000123541_100000693364 [0,1,0,1,0,0|2,0,0]=4 23334 B15R1.504 NC(=O)CCCCCOC1CCCOC1 34a_100000754041_100009817443 [0,1,0,1,0,0|2,0,0]=4 23335 B15R1.504 NC(=O)CCCCCOC1CCCOC1 7a_100000123541_100000693364 [0,1,0,1,0,0|2,0,0]=4 23336 B15R1.504 NC(=O)CCCCCOC1CCCSC1 7a_100015962668_100009817443 [0,1,0,1,0,0|2,0,0]=4 23337 B15R1.504 NC(=O)CCCCCOC1CCOCC1 34a_100000744328_100009817443 [0,1,0,1,0,0|2,0,0]=4 23338 B15R1.504 NC(=O)CCCCCOC1CCOCC1 7a_100000123541_100000686592 [0,1,0,1,0,0|2,0,0]=4 23339 B15R1.504 NC(=O)CCCCCOC1CCSCC1 34a_100000123541_100000069128 [0,1,0,1,0,0|2,0,0]=4 23340 B15R1.504 NC(=O)CCCCCOC1CCSCC1 34a_100000731022_100009817443 [0,1,0,1,0,0|2,0,0]=4 23341 B15R1.504 NC(=O)CCCCCOC1CCSCC1 7a_100000123541_100011500858 [0,1,0,1,0,0|2,0,0]=4 23342 B15R1.504 NC(=O)CCCCCOC1CCSCC1 7a_100000731022_100009817443 [0,1,0,1,0,0|2,0,0]=4 23343 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100000210327_100009817443 [0,1,0,1,0,0|1,0,0]=3 23344 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100009817443_100000210327 [0,1,0,1,0,0|1,0,0]=3 23345 B15R1.504 NC(=O)CCCCCSC1CCCOC1 62a_100009817443_100000693364 [0,1,0,1,0,0|2,0,0]=4 23346 B15R1.504 NC(=O)CCCCCSC1CCOCC1 62a_100009817443_100011324220 [0,1,0,1,0,0|2,0,0]=4 23347 B15R1.504 NC(=O)CCCCCSC1CCSCC1 62a_100009817443_100000069128 [0,1,0,1,0,0|2,0,0]=4 23348 B15R1.504 NC(=O)CCCCNCC1CCCCC1 269862a_100000696515_100000211278 [0,1,0,1,0,0|1,0,0]=3 23349 B15R1.504 NC(=O)CCCCNCC1CCCCC1 34a_100000696515_100000211423 [0,1,0,1,0,0|1,0,0]=3 23350 B15R1.504 NC(=O)CCCCNCC1CCCCO1 34a_100000696515_100000211543 [0,1,0,1,0,0|2,0,0]=4 23351 B15R1.504 NC(=O)CCCCNCC1CCCOC1 34a_100000696515_100000741521 [0,1,0,1,0,0|2,0,0]=4 23352 B15R1.504 NC(=O)CCCCNCC1CCOCC1 269862a_100000696515_100000749017 [0,1,0,1,0,0|2,0,0]=4 23353 B15R1.504 NC(=O)CCCCNCC1CCOCC1 34a_100000696515_100000754603 [0,1,0,1,0,0|2,0,0]=4 23354 B15R1.504 NC(=O)CCCCNCC1CCSCC1 269862a_100000696515_100000067145 [0,1,0,1,0,0|2,0,0]=4 23355 B15R1.504 NC(=O)CCCCNCC1CCSCC1 270004a_100000696515_100000067145 [0,1,0,1,0,0|2,0,0]=4 23356 B15R1.504 NC(=O)CCCCOCC1CCCCC1 34a_100012022536_100000211423 [0,1,0,1,0,0|1,0,0]=3 23357 B15R1.504 NC(=O)CCCCOCC1CCCCC1 7a_100012022536_100000211423 [0,1,0,1,0,0|1,0,0]=3 23358 B15R1.504 NC(=O)CCCCOCC1CCCCO1 34a_100012022536_100000211543 [0,1,0,1,0,0|2,0,0]=4 23359 B15R1.504 NC(=O)CCCCOCC1CCCCO1 7a_100012022536_100000211543 [0,1,0,1,0,0|2,0,0]=4 23360 B15R1.504 NC(=O)CCCCOCC1CCCOC1 34a_100012022536_100000741521 [0,1,0,1,0,0|2,0,0]=4 23361 B15R1.504 NC(=O)CCCCOCC1CCCOC1 7a_100012022536_100000741521 [0,1,0,1,0,0|2,0,0]=4 23362 B15R1.504 NC(=O)CCCCOCC1CCOCC1 34a_100012022536_100000754603 [0,1,0,1,0,0|2,0,0]=4 23363 B15R1.504 NC(=O)CCCCOCC1CCOCC1 7a_100012022536_100000754603 [0,1,0,1,0,0|2,0,0]=4 23364 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000738074_100102525003 [0,1,0,1,0,0|1,0,0]=3 23365 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000739312_100011209188 [0,1,0,1,0,0|1,0,0]=3 23366 B15R1.504 NC(=O)CCCNCCC1CCCCO1 34a_100015183643_100102525003 [0,1,0,1,0,0|2,0,0]=4 23367 B15R1.504 NC(=O)CCCNCCC1CCOCC1 34a_100000739312_100011934994 [0,1,0,1,0,0|2,0,0]=4 23368 B15R1.504 NC(=O)CCCNCCC1CCOCC1 34a_100000755988_100102525003 [0,1,0,1,0,0|2,0,0]=4 23369 B15R1.504 NC(=O)CCCNCCN1CCCCC1 34a_100000739312_100000739454 [0,1,0,1,0,0|2,0,0]=4 23370 B15R1.504 NC(=O)CCCNCOC1CCCCC1 34a_100000739312_100011935260 [0,1,0,1,0,0|2,0,0]=4 23371 B15R1.504 NC(=O)CCCOCCC1CCCCC1 34a_100011217863_100102525003 [0,1,0,1,0,0|1,0,0]=3 23372 B15R1.504 NC(=O)CCCOCCC1CCCCC1 7a_100011217863_100102525003 [0,1,0,1,0,0|1,0,0]=3 23373 B15R1.504 NC(=O)CCCOCCC1CCCCN1 34a_100000211664_100102525003 [0,1,0,1,0,0|2,0,0]=4 23374 B15R1.504 NC(=O)CCCOCCC1CCCNC1 34a_100000752241_100102525003 [0,1,0,1,0,0|2,0,0]=4 23375 B15R1.504 NC(=O)CCCOCCC1CCNCC1 34a_100015190746_100102525003 [0,1,0,1,0,0|2,0,0]=4 23376 B15R1.504 NC(=O)CCCOCCC1CCOCC1 34a_100011933979_100102525003 [0,1,0,1,0,0|2,0,0]=4 23377 B15R1.504 NC(=O)CCCOCCC1CCOCC1 7a_100011933979_100102525003 [0,1,0,1,0,0|2,0,0]=4 23378 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100012355289_100102525003 [0,1,0,1,0,0|1,0,0]=3 23379 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100102525003_100012355289 [0,1,0,1,0,0|1,0,0]=3 23380 B15R1.504 NC(=O)CCCSCCC1CCOCC1 62a_100011934994_100102525003 [0,1,0,1,0,0|2,0,0]=4 23381 B15R1.504 NC(=O)CCCSCCC1CCOCC1 62a_100102525003_100011934994 [0,1,0,1,0,0|2,0,0]=4 23382 B15R1.504 NC(=O)CCCSCCN1CCCCC1 62a_100000739454_100102525003 [0,1,0,1,0,0|2,0,0]=4 23383 B15R1.504 NC(=O)CCCSCCN1CCCCC1 62a_100102525003_100000739454 [0,1,0,1,0,0|2,0,0]=4 23384 B15R1.504 NC(=O)CCCSCOC1CCCCC1 62a_100011935260_100102525003 [0,1,0,1,0,0|2,0,0]=4 23385 B15R1.504 NC(=O)CCCSCOC1CCCCC1 62a_100102525003_100011935260 [0,1,0,1,0,0|2,0,0]=4 23386 B15R1.504 NC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000744528 [0,1,0,1,0,0|1,0,0]=3 23387 B15R1.504 NC(=O)CCNCCCC1CCCCC1 34a_100011211642_100000731001 [0,1,0,1,0,0|1,0,0]=3 23388 B15R1.504 NC(=O)CCNCCOC1CCCCC1 34a_100015206981_100000731001 [0,1,0,1,0,0|2,0,0]=4 23389 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000198086_100000731001 [0,1,0,1,0,0|1,0,0]=3 23390 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000757172_100011713725 [0,1,0,1,0,0|1,0,0]=3 23391 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000744528 [0,1,0,1,0,0|1,0,0]=3 23392 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000757172_100011713725 [0,1,0,1,0,0|1,0,0]=3 23393 B15R1.504 NC(=O)CCOCCCC1CCCCN1 34a_100011934581_100000731001 [0,1,0,1,0,0|2,0,0]=4 23394 B15R1.504 NC(=O)CCOCCCC1CCCNC1 34a_100150707839_100000731001 [0,1,0,1,0,0|2,0,0]=4 23395 B15R1.504 NC(=O)CCOCCCC1CCNCC1 34a_100016988962_100000731001 [0,1,0,1,0,0|2,0,0]=4 23396 B15R1.504 NC(=O)CCOCCCN1CCCCC1 34a_100000212458_100000731001 [0,1,0,1,0,0|2,0,0]=4 23397 B15R1.504 NC(=O)CCOCCCN1CCCCC1 34a_100000757172_100000690320 [0,1,0,1,0,0|2,0,0]=4 23398 B15R1.504 NC(=O)CCOCCCN1CCCCC1 7a_100000757172_100000007876 [0,1,0,1,0,0|2,0,0]=4 23399 B15R1.504 NC(=O)CCOCCNC1CCCCC1 34a_100000200466_100000731001 [0,1,0,1,0,0|2,0,0]=4 23400 B15R1.504 NC(=O)CCOCCOC1CCCCC1 34a_100000757172_100011211530 [0,1,0,1,0,0|2,0,0]=4 23401 B15R1.504 NC(=O)CCOCCOC1CCCCC1 34a_100011249652_100000731001 [0,1,0,1,0,0|2,0,0]=4 23402 B15R1.504 NC(=O)CCOCCOC1CCCCC1 7a_100000757172_100011211530 [0,1,0,1,0,0|2,0,0]=4 23403 B15R1.504 NC(=O)CCOCCOC1CCCCC1 7a_100011249652_100000744528 [0,1,0,1,0,0|2,0,0]=4 23404 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100000744528_100011713725 [0,1,0,1,0,0|1,0,0]=3 23405 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000744528 [0,1,0,1,0,0|1,0,0]=3 23406 B15R1.504 NC(=O)CCSCCCN1CCCCC1 62a_100000744528_100000007876 [0,1,0,1,0,0|2,0,0]=4 23407 B15R1.504 NC(=O)CCSCCCN1CCCCC1 62a_100132302099_100000744528 [0,1,0,1,0,0|2,0,0]=4 23408 B15R1.504 NC(=O)CCSCCOC1CCCCC1 62a_100000744528_100011211530 [0,1,0,1,0,0|2,0,0]=4 23409 B15R1.504 NC(=O)CCSCCOC1CCCCC1 62a_100011211530_100000744528 [0,1,0,1,0,0|2,0,0]=4 23410 B15R1.504 NC(=O)CNCCCOC1CCCCC1 34a_100000205933_100000187820 [0,1,0,1,0,0|2,0,0]=4 23411 B15R1.504 NC(=O)COCCCCC1CCCCC1 34a_100011215267_100000187820 [0,1,0,1,0,0|1,0,0]=3 23412 B15R1.504 NC(=O)COCCCCC1CCCCC1 7a_100011215267_100000187820 [0,1,0,1,0,0|1,0,0]=3 23413 B15R1.504 NC(=O)COCCCCC1CCNCC1 34a_100016989291_100000187820 [0,1,0,1,0,0|2,0,0]=4 23414 B15R1.504 NC(=O)COCCNCC1CCCCC1 2230a_100000210473_100000076697 [0,1,0,1,0,0|2,0,0]=4 23415 B15R1.504 NC(=O)COCCNCC1CCCCC1 34a_100000210473_100000076697 [0,1,0,1,0,0|2,0,0]=4 23416 B15R1.504 NC(=O)COCCOCC1CCCCC1 34a_100000212181_100000076697 [0,1,0,1,0,0|2,0,0]=4 23417 B15R1.504 NC(=O)COCCOCC1CCCCC1 7a_100000212181_100000076697 [0,1,0,1,0,0|2,0,0]=4 23418 B15R1.504 NC(=O)COCCSCC1CCCCC1 62a_100000076697_100000211423 [0,1,0,1,0,0|2,0,0]=4 23419 B15R1.504 NC(=O)COCCSCC1CCCCC1 62a_100000211423_100000076697 [0,1,0,1,0,0|2,0,0]=4 23420 B15R1.504 NC(=O)NCCNCCC1CCCCC1 2230a_100000738074_200000034859 [0,1,0,1,0,0|2,0,0]=4 23421 B15R1.504 NC(=O)NCCNCCC1CCCCC1 34a_100020590234_100011209188 [0,1,0,1,0,0|2,0,0]=4 23422 B15R1.504 NC(=O)NCCOCCC1CCCCC1 34a_100000181757_100011209188 [0,1,0,1,0,0|2,0,0]=4 23423 B15R1.504 NC(=O)NCCOCCC1CCCCC1 7a_100011217863_200000034859 [0,1,0,1,0,0|2,0,0]=4 23424 B15R1.504 NC(=O)NCCSCCC1CCCCC1 62a_100012355289_200000034859 [0,1,0,1,0,0|2,0,0]=4 23425 B15R1.504 NC(=O)NCCSCCC1CCCCC1 62a_200000034859_100012355289 [0,1,0,1,0,0|2,0,0]=4 23426 B15R1.504 NC(=O)OCCNCCC1CCCCC1 34a_100000738074_200011214921 [0,1,0,1,0,0|2,0,0]=4 23427 B15R1.504 NC(=O)OCCOCCC1CCCCC1 34a_100011217863_200011214921 [0,1,0,1,0,0|2,0,0]=4 23428 B15R1.504 NC(=O)OCCOCCC1CCCCC1 7a_100000766696_100011273959 [0,1,0,1,0,0|2,0,0]=4 23429 B15R1.504 NC(=O)OCCOCCC1CCCCC1 7a_100011217863_200011214921 [0,1,0,1,0,0|2,0,0]=4 23430 B15R1.504 NC(=O)OCCSCCC1CCCCC1 62a_100012355289_200011214921 [0,1,0,1,0,0|2,0,0]=4 23431 B15R1.504 NC(=O)OCCSCCC1CCCCC1 62a_200011214921_100012355289 [0,1,0,1,0,0|2,0,0]=4 23432 B15R1.504 O=C(O)COCCNCC1CCCCC1 269956a_100000700818_100000211423 [0,1,0,1,0,0|2,0,0]=4 23433 B15R1.504 O=C(O)CONCCCC1CCCCC1 269956a_100000106656_100011713725 [0,1,0,1,0,0|2,0,0]=4 23434 B15R1.504 O=C([O-])CCCCCOC1CCCCC1 7a_100102619762_100000210327 [0,1,0,1,0,0|1,0,0]=3 23435 B15R1.504 O=C([O-])CCCCCOC1CCCOC1 7a_100102619762_100000693364 [0,1,0,1,0,0|2,0,0]=4 23436 B15R1.504 O=C([O-])CCCCCOC1CCOCC1 7a_100102619762_100000686592 [0,1,0,1,0,0|2,0,0]=4 23437 B15R1.504 O=C([O-])CCCCCOC1CCSCC1 7a_100102619762_100011500858 [0,1,0,1,0,0|2,0,0]=4 23438 B15R1.504 O=C([O-])CNCCCOC1CCCCC1 34a_100000205933_100020667443 [0,1,0,1,0,0|2,0,0]=4 23439 B15R1.504 O=C([O-])COCCCCC1CCCCC1 34a_100011215267_100020667443 [0,1,0,1,0,0|1,0,0]=3 23440 B15R1.504 O=C([O-])COCCCCC1CCNCC1 34a_100016989291_100020667443 [0,1,0,1,0,0|2,0,0]=4 23441 B15R1.504 O=[N+]([O-])CCCCOCC1CCCCC1 34a_200015379883_100000211423 [0,1,0,1,0,0|2,0,0]=4 23442 B15R1.504 O=[N+]([O-])CCCCOCC1CCCCC1 7a_200015379883_100000211423 [0,1,0,1,0,0|2,0,0]=4 23443 B15R1.504 O=[N+]([O-])CCCOCCC1CCCCC1 34a_200000037920_100011209188 [0,1,0,1,0,0|2,0,0]=4 23444 B15R1.504 O=[N+]([O-])COCCCCC1CCCCC1 34a_100011215267_100000761209 [0,1,0,1,0,0|2,0,0]=4 23445 B15R1.589 C=C(C)CCOC1CCCCC1CCC 34a_100011217265_100000730704 [0,1,0,1,0,0|2,0,0]=4 23446 B15R1.589 C=C(C)CCOC1CCCCC1CCC 7a_100011217265_100000730704 [0,1,0,1,0,0|2,0,0]=4 23447 B15R1.589 C=CCC1CCCCC1NCCC(C)C 269862a_100000210545_100011214939 [0,1,0,1,0,0|2,0,0]=4 23448 B15R1.589 C=CCC1CCCCC1NCCC(C)C 270004a_100000210545_100011214939 [0,1,0,1,0,0|2,0,0]=4 23449 B15R1.589 C=CCC1CCCCC1NCCC(C)O 269862a_200000755665_100011214939 [0,1,0,1,0,0|2,0,0]=4 23450 B15R1.589 C=CCC1CCCCC1NCCC(C)O 270004a_200000755665_100011214939 [0,1,0,1,0,0|2,0,0]=4 23451 B15R1.589 CC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100011215641 [0,1,0,1,0,0|2,0,0]=4 23452 B15R1.589 CC(=O)CCCN1CCCCC1CCO 34a_100000211664_100000685027 [0,1,0,1,0,0|2,0,0]=4 23453 B15R1.589 CCCC1CCCCC1NCCC(=O)N 269862a_100000740010_100011218038 [0,1,0,1,0,0|1,0,0]=3 23454 B15R1.589 CCCC1CCCCC1OCCC(=O)C 7a_100011217265_100000053229 [0,1,0,1,0,0|1,0,0]=3 23455 B15R1.589 CCCC1CCCCC1OCCC(=O)N 34a_100011217265_100000731001 [0,1,0,1,0,0|1,0,0]=3 23456 B15R1.589 CCCC1CCCCC1OCCC(=O)N 7a_100011217265_100000744528 [0,1,0,1,0,0|1,0,0]=3 23457 B15R1.589 CCCC1CCCCC1OCOC(=O)C 34a_100011217265_100009813279 [0,1,0,1,0,0|2,0,0]=4 23458 B15R1.589 CCCC1CCCCN1CCCC(=O)C 269982a_100000701414_100011215641 [0,1,0,1,0,0|1,0,0]=3 23459 B15R1.589 CCCC1CCCCN1CCCC(=O)C 34a_100000701414_100000685027 [0,1,0,1,0,0|1,0,0]=3 23460 B15R1.589 CCCC1CCCCN1CCCC(=O)N 269982a_100000701414_100102525003 [0,1,0,1,0,0|1,0,0]=3 23461 B15R1.589 CCCC1CCCCN1CCCC(=O)N 34a_100000701414_100102525003 [0,1,0,1,0,0|1,0,0]=3 23462 B15R1.589 CCCC1CCCCN1CCNC(=O)C 2230a_100000701414_100000189650 [0,1,0,1,0,0|2,0,0]=4 23463 B15R1.589 CCCC1CCCCN1CCNC(=O)C 269982a_100000701414_100000189650 [0,1,0,1,0,0|2,0,0]=4 23464 B15R1.589 CCCC1CCCCN1CCNC(=O)N 2230a_100000701414_200000034859 [0,1,0,1,0,0|2,0,0]=4 23465 B15R1.589 CCCC1CCCCN1CCNC(=O)N 269982a_100000701414_200000034859 [0,1,0,1,0,0|2,0,0]=4 23466 B15R1.589 CCCC1CCCCN1CCOC(=O)C 269982a_100000701414_100009814007 [0,1,0,1,0,0|2,0,0]=4 23467 B15R1.589 CCCC1CCCCN1CCOC(=O)C 34a_100000701414_100009814007 [0,1,0,1,0,0|2,0,0]=4 23468 B15R1.589 CCCC1CCCCN1CCOC(=O)N 269982a_100000701414_200011214921 [0,1,0,1,0,0|2,0,0]=4 23469 B15R1.589 CCCC1CCCCN1CCOC(=O)N 34a_100000701414_200011214921 [0,1,0,1,0,0|2,0,0]=4 23470 B15R1.589 CCCC1COCCN1CCCC(=O)C 269982a_102495339903_100011215641 [0,1,0,1,0,0|2,0,0]=4 23471 B15R1.589 CCCC1COCCN1CCCC(=O)C 34a_102495339903_100000685027 [0,1,0,1,0,0|2,0,0]=4 23472 B15R1.589 CCCC1COCCN1CCCC(=O)N 269982a_102495339903_100102525003 [0,1,0,1,0,0|2,0,0]=4 23473 B15R1.589 CCCC1COCCN1CCCC(=O)N 34a_102495339903_100102525003 [0,1,0,1,0,0|2,0,0]=4 23474 B15R1.589 CCCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210303 [0,1,0,1,0,0|2,0,0]=4 23475 B15R1.589 CCCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000210303 [0,1,0,1,0,0|2,0,0]=4 23476 B15R1.589 CCCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210303 [0,1,0,1,0,0|2,0,0]=4 23477 B15R1.589 COCC1CCCCN1CCCC(=O)C 269982a_100015184032_100011215641 [0,1,0,1,0,0|2,0,0]=4 23478 B15R1.589 COCC1CCCCN1CCCC(=O)C 34a_100015184032_100000685027 [0,1,0,1,0,0|2,0,0]=4 23479 B15R1.589 COCC1CCCCN1CCCC(=O)N 269982a_100015184032_100102525003 [0,1,0,1,0,0|2,0,0]=4 23480 B15R1.589 COCC1CCCCN1CCCC(=O)N 34a_100015184032_100102525003 [0,1,0,1,0,0|2,0,0]=4 23481 B15R1.589 NC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100102525003 [0,1,0,1,0,0|2,0,0]=4 23482 B15R1.589 NC(=O)CCCN1CCCCC1CCO 34a_100000211664_100102525003 [0,1,0,1,0,0|2,0,0]=4 23483 B15R1.604 CCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000723119 [0,1,0,1,0,0|1,0,0]=3 23484 B15R1.604 CCCC1CCCC1NCCCS(=O)C 270004a_200000753449_100000723119 [0,1,0,1,0,0|2,0,0]=4 23485 B15R1.604 CCCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000723119 [0,1,0,1,0,0|2,0,0]=4 23486 B15R1.604 CCCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000723119 [0,1,0,1,0,0|2,0,0]=4 23487 B15R1.604 CCCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000723119 [0,1,0,1,0,0|2,0,0]=4 23488 B15R1.604 CCCN1CCCC1COCCC(=O)C 7a_200000694710_100000053229 [0,1,0,1,0,0|2,0,0]=4 23489 B15R1.604 CCCN1CCCC1COCCC(=O)N 34a_200000694710_100000731001 [0,1,0,1,0,0|2,0,0]=4 23490 B15R1.604 CCCN1CCCC1COCCC(=O)N 7a_200000694710_100000744528 [0,1,0,1,0,0|2,0,0]=4 23491 B15R1.604 COC[C@@H]1CCCN1CCCCC(=O)C 269982a_100020646714_100000735457 [0,1,0,1,0,0|2,0,0]=4 23492 B15R1.604 COC[C@@H]1CCCN1CCCCC(=O)C 34a_100020646714_100009817362 [0,1,0,1,0,0|2,0,0]=4 23493 B15R1.849 C=CCCN1CCCCCC1CC(C)C 2230a_100000759364_100000754431 [0,1,0,1,0,0|2,0,0]=4 23494 B15R1.849 C=CCCN1CCCCCC1CC(C)C 269982a_100000759364_100000754431 [0,1,0,1,0,0|2,0,0]=4 23495 B15R1.849 C=CCCN1CCCCCC1CC(C)C 34a_100000759364_100000754431 [0,1,0,1,0,0|2,0,0]=4 23496 B15R1.1051 CC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000053229 [0,1,0,1,0,0|2,0,0]=4 23497 B15R1.1051 CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210211 [0,1,0,1,0,0|1,0,0]=3 23498 B15R1.1051 CCOCN1CCCCC1CCC(=O)O 269956a_100000694054_100000739092 [0,1,0,1,0,0|2,0,0]=4 23499 B15R1.1051 COCCC1CCCCN1CCC(=O)C 269982a_100015186528_100000053229 [0,1,0,1,0,0|2,0,0]=4 23500 B15R1.1051 COCCC1CCCCN1CCC(=O)N 2230a_100015186528_100000744528 [0,1,0,1,0,0|2,0,0]=4 23501 B15R1.1051 COCCC1CCCCN1CCC(=O)N 269982a_100015186528_100000744528 [0,1,0,1,0,0|2,0,0]=4 23502 B15R1.1051 COCCC1CCCCN1CCC(=O)N 34a_100015186528_100000731001 [0,1,0,1,0,0|2,0,0]=4 23503 B15R1.1051 COCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000233755 [0,1,0,1,0,0|2,0,0]=4 23504 B15R1.1051 CSCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000212216 [0,1,0,1,0,0|2,0,0]=4 23505 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 2230a_100011934581_100000744528 [0,1,0,1,0,0|2,0,0]=4 23506 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000744528 [0,1,0,1,0,0|2,0,0]=4 23507 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 34a_100011934581_100000731001 [0,1,0,1,0,0|2,0,0]=4 23508 B15R1.1051 O=C(O)CCC1CCCCN1CCCF 269956a_100000694054_100011934791 [0,1,0,1,0,0|2,0,0]=4 23509 B15R1.1051 O=C(O)CCC1CCCCN1CCCO 269956a_100000694054_100011215043 [0,1,0,1,0,0|2,0,0]=4 23510 B15R1.1068 CCCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000750825 [0,1,0,1,0,0|1,0,0]=3 23511 B15R1.1188 CC(C)CC1COCCN1CCCC=O 2230a_100000755734_200011292268 [0,1,0,1,0,0|2,0,0]=4 23512 B15R1.1188 CC(C)CC1COCCN1CCCC=O 269982a_100000755734_200011292268 [0,1,0,1,0,0|2,0,0]=4 23513 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210326 [0,1,0,1,0,0|1,0,0]=3 23514 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210215 [0,1,0,1,0,0|1,0,0]=3 23515 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000718602 [0,1,0,1,0,0|1,0,0]=3 23516 B15R1.1188 CCOCCN1CCCCC1CC(=O)N 2230a_100015184752_100011215890 [0,1,0,1,0,0|2,0,0]=4 23517 B15R1.1188 CCOCCN1CCCCC1CC(=O)N 269982a_100015184752_100011215890 [0,1,0,1,0,0|2,0,0]=4 23518 B15R1.1188 CCOCCN1CCCCC1CC(=O)N 34a_100015184752_100000210147 [0,1,0,1,0,0|2,0,0]=4 23519 B15R1.1188 CCSCCN1CCCCC1CC(=O)N 2230a_100015184752_100000757381 [0,1,0,1,0,0|2,0,0]=4 23520 B15R1.1188 CCSCCN1CCCCC1CC(=O)N 269982a_100015184752_100000757381 [0,1,0,1,0,0|2,0,0]=4 23521 B15R1.1188 CCSCCN1CCCCC1CC(=O)N 34a_100015184752_100000757381 [0,1,0,1,0,0|2,0,0]=4 23522 B15R1.1188 CN(C)CC1CCCCN1CCCC=O 2230a_100000746231_200011292268 [0,1,0,1,0,0|2,0,0]=4 23523 B15R1.1188 CN(C)CC1CCCCN1CCCC=O 269982a_100000746231_200011292268 [0,1,0,1,0,0|2,0,0]=4 23524 B15R1.1188 COCCCC1CCCCN1CC(=O)N 2230a_100011804088_100000747473 [0,1,0,1,0,0|2,0,0]=4 23525 B15R1.1188 COCCCC1CCCCN1CC(=O)N 269982a_100011804088_100000187820 [0,1,0,1,0,0|2,0,0]=4 23526 B15R1.1188 COCCCC1CCCCN1CC(=O)N 34a_100011804088_100000187820 [0,1,0,1,0,0|2,0,0]=4 23527 B15R1.1188 COCCCC1CCCCN1CC(=O)[O-] 269982a_100011804088_100020667443 [0,1,0,1,0,0|2,0,0]=4 23528 B15R1.1188 COCCCC1CCCCN1CC(=O)[O-] 34a_100011804088_100020667443 [0,1,0,1,0,0|2,0,0]=4 23529 B15R1.1188 COCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000740836 [0,1,0,1,0,0|2,0,0]=4 23530 B15R1.1188 COCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000740836 [0,1,0,1,0,0|2,0,0]=4 23531 B15R1.1188 COCCCN1CCCCC1CC(=O)N 34a_100015184752_100000740836 [0,1,0,1,0,0|2,0,0]=4 23532 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 2230a_100015184752_100000729493 [0,1,0,1,0,0|2,0,0]=4 23533 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 269982a_100015184752_100000729493 [0,1,0,1,0,0|2,0,0]=4 23534 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 34a_100015184752_100000729493 [0,1,0,1,0,0|2,0,0]=4 23535 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 2230a_100015184752_100000210776 [0,1,0,1,0,0|2,0,0]=4 23536 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 269982a_100015184752_100000210776 [0,1,0,1,0,0|2,0,0]=4 23537 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 34a_100015184752_100011216708 [0,1,0,1,0,0|2,0,0]=4 23538 B15R1.1974 C=CCCCCCCOCC1CC1(C)C 34a_100000728257_100011215473 [0,1,0,1,0,0|2,0,0]=4 23539 B15R1.1974 C=CCCCCCCOCC1CC1(C)C 7a_100000728257_100011215473 [0,1,0,1,0,0|2,0,0]=4 23540 B15R1.1974 O=CCCCCCOCCC1CC1(F)F 7a_100009864177_100000139337 [0,1,0,1,0,0|2,0,0]=4 23541 B15R1.3524 C=CCCCCNC1CCCCC1(C)C 269862a_100000703577_100000031690 [0,1,0,1,0,0|2,0,0]=4 23542 B15R1.3524 CC1(COCCN1CCCCCC=O)C 2230a_100000724681_100000139337 [0,1,0,1,0,0|2,0,0]=4 23543 B15R1.3524 CC1(COCCN1CCCCCC=O)C 269982a_100000724681_100000139337 [0,1,0,1,0,0|2,0,0]=4 23544 B15R1.3524 O=CCCCCNC1CCCCC1(F)F 2230a_100000686509_100000139335 [0,1,0,1,0,0|2,0,0]=4 23545 B15R1.3524 O=CCCCCSC1CCCCC1(F)F 62a_100000139335_200009832135 [0,1,0,1,0,0|2,0,0]=4 23546 B15R1.3524 O=CCCCCSC1CCCCC1(F)F 62a_200009832135_100000139335 [0,1,0,1,0,0|2,0,0]=4 23547 B15R1.3525 C=CCCCCCN1CCCC1C(C)C 2230a_100000762757_100000700193 [0,1,0,1,0,0|2,0,0]=4 23548 B15R1.3525 C=CCCCCCN1CCCC1C(C)C 269982a_100000762757_100000700193 [0,1,0,1,0,0|2,0,0]=4 23549 B15R1.3525 C=CCCCCCN1CCCC1C(C)C 34a_100000762757_100000700193 [0,1,0,1,0,0|2,0,0]=4 23550 B15R1.3525 CC(C)C1CCCN1CCCCCC=O 2230a_100000762757_100000139337 [0,1,0,1,0,0|1,0,0]=3 23551 B15R1.3525 CC(C)C1CCCN1CCCCCC=O 269982a_100000762757_100000139337 [0,1,0,1,0,0|1,0,0]=3 23552 B15R1.3525 CCCCCCCC1CCCC1N(C)C 270004a_100102631434_200011216720 [0,1,0,1,0,0|2,0,0]=4 23553 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210681 [0,1,0,1,0,0|1,0,0]=3 23554 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210614 [0,1,0,1,0,0|1,0,0]=3 23555 B15R1.3525 CCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210614 [0,1,0,1,0,0|2,0,0]=4 23556 B15R1.3525 CCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210614 [0,1,0,1,0,0|2,0,0]=4 23557 B15R1.3525 CCCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000718602 [0,1,0,1,0,0|2,0,0]=4 23558 B15R1.3525 CCCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210326 [0,1,0,1,0,0|2,0,0]=4 23559 B15R1.3525 CCCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000718602 [0,1,0,1,0,0|2,0,0]=4 23560 B15R1.3525 CCCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210326 [0,1,0,1,0,0|2,0,0]=4 23561 B15R1.3525 CCCCOCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000743108 [0,1,0,1,0,0|2,0,0]=4 23562 B15R1.3525 CCCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000743108 [0,1,0,1,0,0|2,0,0]=4 23563 B15R1.3525 NC(=O)[C@@H]1CCCN1CCCCCCF 2230a_100000003125_100015922095 [0,1,0,1,0,0|2,0,0]=4 23564 B15R1.3525 NC(=O)[C@@H]1CCCN1CCCCCCO 2230a_100000003125_100000766143 [0,1,0,1,0,0|2,0,0]=4 23565 B15R1.3525 O=C(O)[C@@H]1CCCN1CCCCCCF 269956a_100000743916_100015922095 [0,1,0,1,0,0|2,0,0]=4 23566 B15R1.3525 O=C(O)[C@@H]1CCCN1CCCCCCO 269956a_100000743916_100000766143 [0,1,0,1,0,0|2,0,0]=4 23567 B15R1.3745 C=CCCCN1CCCCCC1C(C)C 2230a_100000697956_100011713584 [0,1,0,1,0,0|2,0,0]=4 23568 B15R1.3745 C=CCCCN1CCCCCC1C(C)C 269982a_100000697956_100000757094 [0,1,0,1,0,0|2,0,0]=4 23569 B15R1.3745 C=CCCCN1CCCCCC1C(C)C 34a_100000697956_100000757094 [0,1,0,1,0,0|2,0,0]=4 23570 B15R1.3745 CC(C)C1CCCCCN1CCCC=O 2230a_100000697956_200011292268 [0,1,0,1,0,0|1,0,0]=3 23571 B15R1.3745 CC(C)C1CCCCCN1CCCC=O 269982a_100000697956_200011292268 [0,1,0,1,0,0|1,0,0]=3 23572 B15R1.3745 CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210326 [0,1,0,1,0,0|1,0,0]=3 23573 B15R1.3745 CCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210147 [0,1,0,1,0,0|2,0,0]=4 23574 B15R1.3745 CCSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000757381 [0,1,0,1,0,0|2,0,0]=4 23575 B15R1.3745 COCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000740836 [0,1,0,1,0,0|2,0,0]=4 23576 B15R1.3745 O=C(O)C1CCCCCN1CCCCF 269956a_100000758484_100000729493 [0,1,0,1,0,0|2,0,0]=4 23577 B15R1.3745 O=C(O)C1CCCCCN1CCCCO 269956a_100000758484_100000210776 [0,1,0,1,0,0|2,0,0]=4 23578 B15R1.5368 C=CCCCCCCN1CCCC1(C)C 2230a_100000761399_100011215473 [0,1,0,1,0,0|2,0,0]=4 23579 B15R1.5368 C=CCCCCCCN1CCCC1(C)C 269982a_100000761399_100011215473 [0,1,0,1,0,0|2,0,0]=4 23580 B15R1.5368 C=CCCCCCCN1CCCC1(C)C 34a_100000761399_100011215473 [0,1,0,1,0,0|2,0,0]=4 23581 B15R1.5368 C=CCCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000700193 [0,1,0,1,0,0|2,0,0]=4 23582 B15R1.5368 C=CCCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000700193 [0,1,0,1,0,0|2,0,0]=4 23583 B15R1.5368 C=CCCCCCOC1CCCC1(C)C 34a_100000726220_100000700193 [0,1,0,1,0,0|2,0,0]=4 23584 B15R1.5368 C=CCCCCCOC1CCCC1(C)C 7a_100000726220_100000700193 [0,1,0,1,0,0|2,0,0]=4 23585 B15R1.5368 CC1(CCCC1OCCCCCC=O)C 7a_100000726220_100000139337 [0,1,0,1,0,0|1,0,0]=3 23586 B15R1.5368 CC1(CCCN1CCNCCCC=O)C 2230a_100015204988_200011292268 [0,1,0,1,0,0|2,0,0]=4 23587 B15R1.5368 C[C@]1(CCC[C@H]1NCCCCCC=O)O 2230a_100015977457_100000139337 [0,1,0,1,0,0|1,0,0]=3 23588 B15R1.5368 O=CCCCCCNC1CCCC1(F)F 2230a_100000767123_100000139337 [0,1,0,1,0,0|2,0,0]=4 23589 B15R1.5368 O=CCCCCCSC1CCCC1(F)F 62a_100000139337_100119073726 [0,1,0,1,0,0|2,0,0]=4 23590 B15R1.5368 O=CCCCCCSC1CCCC1(F)F 62a_100119073726_100000139337 [0,1,0,1,0,0|2,0,0]=4 23591 B15R1.8881 CC(=O)NCCCCCCNC1CCC1 270004a_200011996284_100000241760 [0,1,0,1,0,0|2,0,0]=4 23592 B15R1.8881 CC(=O)NCCCCCCNC1CCC1 34a_200011996284_100000749161 [0,1,0,1,0,0|2,0,0]=4 23593 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 2230a_200012022750_100000763275 [0,1,0,1,0,0|2,0,0]=4 23594 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 269862a_200012022750_100000753134 [0,1,0,1,0,0|2,0,0]=4 23595 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 34a_200012022750_100000763275 [0,1,0,1,0,0|2,0,0]=4 23596 B15R1.8881 CC(=O)OCCCCCNCC1CCC1 2230a_100000738700_100009813381 [0,1,0,1,0,0|2,0,0]=4 23597 B15R1.8881 CC(=O)OCCCCCNCC1CCC1 34a_100000738700_100000033007 [0,1,0,1,0,0|2,0,0]=4 23598 B15R1.8881 CC(=O)OCCCCCOCC1CCC1 34a_100000760304_100000033007 [0,1,0,1,0,0|2,0,0]=4 23599 B15R1.8881 CC(=O)OCCCCCSCC1CCC1 62a_100000033007_100000763275 [0,1,0,1,0,0|2,0,0]=4 23600 B15R1.8881 CC(=O)OCCCCCSCC1CCC1 62a_100000763275_100000033007 [0,1,0,1,0,0|2,0,0]=4 23601 B15R1.8881 CC(=O)SCCCCCCNC1CCC1 270004a_100000704104_100000241760 [0,1,0,1,0,0|2,0,0]=4 23602 B15R1.8881 NC(=O)CCCCCOCCC1COC1 34a_100009855314_100009817443 [0,1,0,1,0,0|2,0,0]=4 23603 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 2230a_200011996284_100000742324 [0,1,0,1,0,0|2,0,0]=4 23604 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 269862a_200011996284_100000741477 [0,1,0,1,0,0|2,0,0]=4 23605 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 34a_200011996284_100000742324 [0,1,0,1,0,0|2,0,0]=4 23606 B15R1.8900 CC(=O)NCCCCCNCCC1CC1 2230a_200012022750_100000694398 [0,1,0,1,0,0|2,0,0]=4 23607 B15R1.8900 CC(=O)NCCCCCNCCC1CC1 34a_200012022750_100000694398 [0,1,0,1,0,0|2,0,0]=4 23608 B15R1.8900 CC(=O)OCCCCCNCCC1CC1 34a_100000764129_100000033007 [0,1,0,1,0,0|2,0,0]=4 23609 B15R1.8900 CC(=O)OCCCCCOCCC1CC1 34a_100000754188_100000033007 [0,1,0,1,0,0|2,0,0]=4 23610 B15R1.8900 CC(=O)OCCCCCOCCC1CC1 7a_100000754188_100000033007 [0,1,0,1,0,0|2,0,0]=4 23611 B15R1.8900 CC(=O)OCCCCCSCCC1CC1 62a_100000033007_100000764125 [0,1,0,1,0,0|2,0,0]=4 23612 B15R1.8900 CC(=O)OCCCCCSCCC1CC1 62a_100000764125_100000033007 [0,1,0,1,0,0|2,0,0]=4 23613 B15R1.8900 CC(=O)SCCCCCCNCC1CC1 269862a_100000704104_100000741477 [0,1,0,1,0,0|2,0,0]=4 23614 B15R1.8900 NC(=O)CCCCCOCCCC1CO1 34a_100000123541_100000733510 [0,1,0,1,0,0|2,0,0]=4 23615 B15R1.8900 NC(=O)CCCCCOCCCC1CO1 7a_100000123541_100000733510 [0,1,0,1,0,0|2,0,0]=4 23616 B15R1.8900 NC(=O)CCCCCOCCNC1CC1 34a_100000738766_100009817443 [0,1,0,1,0,0|2,0,0]=4 23617 B15R1.8900 NC(=O)CCCCCSCCCC1CO1 62a_100000733510_100009817443 [0,1,0,1,0,0|2,0,0]=4 23618 B15R1.8900 NC(=O)CCCCCSCCCC1CO1 62a_100009817443_100000733510 [0,1,0,1,0,0|2,0,0]=4 23619 B15R1.8900 O=C([O-])CCCCCOCCCC1CO1 7a_100102619762_100000733510 [0,1,0,1,0,0|2,0,0]=4 23620 B15R1.8920 C=C(C)CCOCC1CCCCCCC1 34a_100011216312_100000730704 [0,1,0,1,0,0|2,0,0]=4 23621 B15R1.8920 C=C(C)CCOCC1CCCCCCC1 7a_100011216312_100000730704 [0,1,0,1,0,0|2,0,0]=4 23622 B15R1.8920 C=C(C)CNCCC1CCCCCCC1 2230a_100011532352_100000748629 [0,1,0,1,0,0|2,0,0]=4 23623 B15R1.8920 C=C(C)CNCCC1CCCCCCC1 34a_100011532352_100000748629 [0,1,0,1,0,0|2,0,0]=4 23624 B15R1.8920 C=C(F)CNCCC1CCCCCCC1 2230a_100011532352_100009893438 [0,1,0,1,0,0|2,0,0]=4 23625 B15R1.8920 C=C(F)CNCCC1CCCCCCC1 34a_100011532352_100009893438 [0,1,0,1,0,0|2,0,0]=4 23626 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 269982a_100000211400_100000735457 [0,1,0,1,0,0|1,0,0]=3 23627 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 34a_100000211400_100009817362 [0,1,0,1,0,0|1,0,0]=3 23628 B15R1.8920 CC(=O)CCCNC1CCCCCCC1 34a_100000211152_100000685027 [0,1,0,1,0,0|1,0,0]=3 23629 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 34a_100000210054_100000685027 [0,1,0,1,0,0|1,0,0]=3 23630 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 7a_100000210054_100011215641 [0,1,0,1,0,0|1,0,0]=3 23631 B15R1.8920 CC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000053229 [0,1,0,1,0,0|1,0,0]=3 23632 B15R1.8920 CC(=O)NCCNC1CCCCCCC1 2230a_100000211152_100000189650 [0,1,0,1,0,0|2,0,0]=4 23633 B15R1.8920 CC(=O)NCCOC1CCCCCCC1 7a_100000210054_100000189650 [0,1,0,1,0,0|2,0,0]=4 23634 B15R1.8920 CC(=O)OCCCN1CCCCCCC1 269982a_100000211400_100000042594 [0,1,0,1,0,0|2,0,0]=4 23635 B15R1.8920 CC(=O)OCCCN1CCCCCCC1 34a_100000211400_100000042594 [0,1,0,1,0,0|2,0,0]=4 23636 B15R1.8920 CC(=O)OCCNC1CCCCCCC1 34a_100000211152_100009814007 [0,1,0,1,0,0|2,0,0]=4 23637 B15R1.8920 CC(=O)OCCOC1CCCCCCC1 34a_100000210054_100009814007 [0,1,0,1,0,0|2,0,0]=4 23638 B15R1.8920 CC(=O)OCCOC1CCCCCCC1 7a_100000210054_100009814007 [0,1,0,1,0,0|2,0,0]=4 23639 B15R1.8920 CC(=O)OCOCC1CCCCCCC1 34a_100011216312_100009813279 [0,1,0,1,0,0|2,0,0]=4 23640 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 2230a_100000211400_100000038929 [0,1,0,1,0,0|2,0,0]=4 23641 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 269982a_100000211400_100000038929 [0,1,0,1,0,0|2,0,0]=4 23642 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 34a_100000211400_100000038929 [0,1,0,1,0,0|2,0,0]=4 23643 B15R1.8920 CC(C)CCCOC1C=CCCCCC1 34a_100000688657_100011214892 [0,1,0,1,0,0|2,0,0]=4 23644 B15R1.8920 CC(O)CCCOC1C=CCCCCC1 34a_100000688657_200000718107 [0,1,0,1,0,0|2,0,0]=4 23645 B15R1.8920 CS(=O)CCCNC1CCCCCCC1 270004a_200000753449_100000210524 [0,1,0,1,0,0|2,0,0]=4 23646 B15R1.8920 NC(=O)CCCNC1CCCCCCC1 34a_100000211152_100102525003 [0,1,0,1,0,0|1,0,0]=3 23647 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 34a_100000210054_100102525003 [0,1,0,1,0,0|1,0,0]=3 23648 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 7a_100000210054_100102525003 [0,1,0,1,0,0|1,0,0]=3 23649 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 34a_100011216312_100000731001 [0,1,0,1,0,0|1,0,0]=3 23650 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000744528 [0,1,0,1,0,0|1,0,0]=3 23651 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000747473 [0,1,0,1,0,0|1,0,0]=3 23652 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000187820 [0,1,0,1,0,0|1,0,0]=3 23653 B15R1.8920 NC(=O)COCCN1CCCCCCC1 2230a_100000211400_100000076697 [0,1,0,1,0,0|2,0,0]=4 23654 B15R1.8920 NC(=O)COCCN1CCCCCCC1 269982a_100000211400_100000076697 [0,1,0,1,0,0|2,0,0]=4 23655 B15R1.8920 NC(=O)COCCN1CCCCCCC1 34a_100000211400_100000076697 [0,1,0,1,0,0|2,0,0]=4 23656 B15R1.8920 NC(=O)NCCNC1CCCCCCC1 2230a_100000211152_200000034859 [0,1,0,1,0,0|2,0,0]=4 23657 B15R1.8920 NC(=O)NCCOC1CCCCCCC1 7a_100000210054_200000034859 [0,1,0,1,0,0|2,0,0]=4 23658 B15R1.8920 NC(=O)OCCNC1CCCCCCC1 34a_100000211152_200011214921 [0,1,0,1,0,0|2,0,0]=4 23659 B15R1.8920 NC(=O)OCCOC1CCCCCCC1 34a_100000210054_200011214921 [0,1,0,1,0,0|2,0,0]=4 23660 B15R1.8920 NC(=O)OCCOC1CCCCCCC1 7a_100000210054_200011214921 [0,1,0,1,0,0|2,0,0]=4 23661 B15R1.8920 O=C([O-])CNCCC1CCCCCCC1 34a_100011532352_100020667443 [0,1,0,1,0,0|1,0,0]=3 23662 B15R1.8920 O=[N+]([O-])CNCCC1CCCCCCC1 34a_100011532352_100000761209 [0,1,0,1,0,0|2,0,0]=4 23663 B15R1.8958 C=C(C)CCNCCC1CCCCCC1 2230a_100011532351_100000730704 [0,1,0,1,0,0|2,0,0]=4 23664 B15R1.8958 C=C(C)CCNCCC1CCCCCC1 34a_100011532351_100000730704 [0,1,0,1,0,0|2,0,0]=4 23665 B15R1.8958 CC(=O)CCCCNC1CCCCCC1 34a_100000210984_100009817362 [0,1,0,1,0,0|1,0,0]=3 23666 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 34a_100000210887_100009817362 [0,1,0,1,0,0|1,0,0]=3 23667 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 7a_100000210887_100000735457 [0,1,0,1,0,0|1,0,0]=3 23668 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100000735457_100011217769 [0,1,0,1,0,0|1,0,0]=3 23669 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100011217769_100000735457 [0,1,0,1,0,0|1,0,0]=3 23670 B15R1.8958 CC(=O)CCCNCC1CCCCCC1 34a_100015204231_100000685027 [0,1,0,1,0,0|1,0,0]=3 23671 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000699130_100000685027 [0,1,0,1,0,0|1,0,0]=3 23672 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000759063_200000696569 [0,1,0,1,0,0|1,0,0]=3 23673 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000699130_100011215641 [0,1,0,1,0,0|1,0,0]=3 23674 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000759063_200000696569 [0,1,0,1,0,0|1,0,0]=3 23675 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_100011215641_200000696569 [0,1,0,1,0,0|1,0,0]=3 23676 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_200000696569_100011215641 [0,1,0,1,0,0|1,0,0]=3 23677 B15R1.8958 CC(=O)CCOCCN1CCCCCC1 7a_100000759926_100000722644 [0,1,0,1,0,0|2,0,0]=4 23678 B15R1.8958 CC(=O)CCSCCN1CCCCCC1 62a_100000053229_100000722644 [0,1,0,1,0,0|2,0,0]=4 23679 B15R1.8958 CC(=O)CCSCCN1CCCCCC1 62a_100000722644_100000053229 [0,1,0,1,0,0|2,0,0]=4 23680 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 1626a_100011207362_100015343762 [0,1,0,1,0,0|2,0,0]=4 23681 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 240690a_100011207362_100015343762 [0,1,0,1,0,0|2,0,0]=4 23682 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 527a_100011207362_100103153847 [0,1,0,1,0,0|2,0,0]=4 23683 B15R1.8958 CC(=O)NCCCNC1CCCCCC1 270004a_100000736810_100000210131 [0,1,0,1,0,0|2,0,0]=4 23684 B15R1.8958 CC(=O)NCCCNC1CCCCCC1 34a_100000736810_100011217769 [0,1,0,1,0,0|2,0,0]=4 23685 B15R1.8958 CC(=O)NCCCOC1CCCCCC1 34a_100000752032_100011217769 [0,1,0,1,0,0|2,0,0]=4 23686 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 2230a_100000209853_200000696569 [0,1,0,1,0,0|2,0,0]=4 23687 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 2230a_100015204231_100000189650 [0,1,0,1,0,0|2,0,0]=4 23688 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 269862a_100000209853_200000763224 [0,1,0,1,0,0|2,0,0]=4 23689 B15R1.8958 CC(=O)NCCOCC1CCCCCC1 34a_100000158858_200000696569 [0,1,0,1,0,0|2,0,0]=4 23690 B15R1.8958 CC(=O)NCCOCC1CCCCCC1 7a_100000699130_100000189650 [0,1,0,1,0,0|2,0,0]=4 23691 B15R1.8958 CC(=O)NCCSCC1CCCCCC1 62a_100000189650_200000696569 [0,1,0,1,0,0|2,0,0]=4 23692 B15R1.8958 CC(=O)NCCSCC1CCCCCC1 62a_200000696569_100000189650 [0,1,0,1,0,0|2,0,0]=4 23693 B15R1.8958 CC(=O)OCCCCN1CCCCCC1 269982a_100000185865_100000033659 [0,1,0,1,0,0|2,0,0]=4 23694 B15R1.8958 CC(=O)OCCCCN1CCCCCC1 34a_100000185865_100000033659 [0,1,0,1,0,0|2,0,0]=4 23695 B15R1.8958 CC(=O)OCCCNC1CCCCCC1 34a_100000210984_100000042594 [0,1,0,1,0,0|2,0,0]=4 23696 B15R1.8958 CC(=O)OCCCOC1CCCCCC1 34a_100000210887_100000042594 [0,1,0,1,0,0|2,0,0]=4 23697 B15R1.8958 CC(=O)OCCCOC1CCCCCC1 7a_100000210887_100000042594 [0,1,0,1,0,0|2,0,0]=4 23698 B15R1.8958 CC(=O)OCCCSC1CCCCCC1 62a_100000042594_100011217769 [0,1,0,1,0,0|2,0,0]=4 23699 B15R1.8958 CC(=O)OCCCSC1CCCCCC1 62a_100011217769_100000042594 [0,1,0,1,0,0|2,0,0]=4 23700 B15R1.8958 CC(=O)OCCNCC1CCCCCC1 34a_100015204231_100009814007 [0,1,0,1,0,0|2,0,0]=4 23701 B15R1.8958 CC(=O)OCCOCC1CCCCCC1 34a_100000699130_100009814007 [0,1,0,1,0,0|2,0,0]=4 23702 B15R1.8958 CC(=O)OCCOCC1CCCCCC1 7a_100000699130_100009814007 [0,1,0,1,0,0|2,0,0]=4 23703 B15R1.8958 CC(=O)OCCSCC1CCCCCC1 62a_100009814007_200000696569 [0,1,0,1,0,0|2,0,0]=4 23704 B15R1.8958 CC(=O)OCCSCC1CCCCCC1 62a_200000696569_100009814007 [0,1,0,1,0,0|2,0,0]=4 23705 B15R1.8958 CC(=O)OCNCCC1CCCCCC1 34a_100011532351_100009813279 [0,1,0,1,0,0|2,0,0]=4 23706 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 2230a_100000185865_200010402107 [0,1,0,1,0,0|2,0,0]=4 23707 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 269982a_100000185865_200010402107 [0,1,0,1,0,0|2,0,0]=4 23708 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 34a_100000185865_200010402107 [0,1,0,1,0,0|2,0,0]=4 23709 B15R1.8958 CC(=O)SCCCNC1CCCCCC1 2230a_100000210984_100000038929 [0,1,0,1,0,0|2,0,0]=4 23710 B15R1.8958 CC(=O)SCCCNC1CCCCCC1 34a_100000210984_100000038929 [0,1,0,1,0,0|2,0,0]=4 23711 B15R1.8958 CC(=O)SCCCOC1CCCCCC1 34a_100000210887_100000038929 [0,1,0,1,0,0|2,0,0]=4 23712 B15R1.8958 CC(=O)SCCCOC1CCCCCC1 7a_100000210887_100000038929 [0,1,0,1,0,0|2,0,0]=4 23713 B15R1.8958 CC(=O)SCCCSC1CCCCCC1 62a_100000038929_100011217769 [0,1,0,1,0,0|2,0,0]=4 23714 B15R1.8958 CC(=O)SCCCSC1CCCCCC1 62a_100011217769_100000038929 [0,1,0,1,0,0|2,0,0]=4 23715 B15R1.8958 CC(=O)SCCNCC1CCCCCC1 269862a_100020647217_200000763224 [0,1,0,1,0,0|2,0,0]=4 23716 B15R1.8958 CS(=O)CCCNCC1CCCCCC1 2230a_200000753449_200000696569 [0,1,0,1,0,0|2,0,0]=4 23717 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 2230a_100000185865_100009817443 [0,1,0,1,0,0|1,0,0]=3 23718 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 269982a_100000185865_100009817443 [0,1,0,1,0,0|1,0,0]=3 23719 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 34a_100000185865_100009817443 [0,1,0,1,0,0|1,0,0]=3 23720 B15R1.8958 NC(=O)CCCCCN1CCCOCC1 2230a_100000685342_100009817443 [0,1,0,1,0,0|2,0,0]=4 23721 B15R1.8958 NC(=O)CCCCCN1CCCOCC1 269982a_100000685342_100009817443 [0,1,0,1,0,0|2,0,0]=4 23722 B15R1.8958 NC(=O)CCCCCN1CCCOCC1 34a_100000685342_100009817443 [0,1,0,1,0,0|2,0,0]=4 23723 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 270004a_100000696515_100000210131 [0,1,0,1,0,0|1,0,0]=3 23724 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 34a_100000696515_100011217769 [0,1,0,1,0,0|1,0,0]=3 23725 B15R1.8958 NC(=O)CCCCNC1CCCNCC1 270004a_100000696515_100015187895 [0,1,0,1,0,0|2,0,0]=4 23726 B15R1.8958 NC(=O)CCCCOC1CCCCCC1 34a_100012022536_100011217769 [0,1,0,1,0,0|1,0,0]=3 23727 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 269862a_100000739312_200000763224 [0,1,0,1,0,0|1,0,0]=3 23728 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100000739312_200000696569 [0,1,0,1,0,0|1,0,0]=3 23729 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100015204231_100102525003 [0,1,0,1,0,0|1,0,0]=3 23730 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 34a_100000699130_100102525003 [0,1,0,1,0,0|1,0,0]=3 23731 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 7a_100000699130_100102525003 [0,1,0,1,0,0|1,0,0]=3 23732 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_100102525003_200000696569 [0,1,0,1,0,0|1,0,0]=3 23733 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_200000696569_100102525003 [0,1,0,1,0,0|1,0,0]=3 23734 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000744528 [0,1,0,1,0,0|1,0,0]=3 23735 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 34a_100011532351_100000731001 [0,1,0,1,0,0|1,0,0]=3 23736 B15R1.8958 NC(=O)CCOCCN1CCCCCC1 34a_100000238007_100000731001 [0,1,0,1,0,0|2,0,0]=4 23737 B15R1.8958 NC(=O)CCOCCN1CCCCCC1 7a_100000757172_100000722644 [0,1,0,1,0,0|2,0,0]=4 23738 B15R1.8958 NC(=O)CCSCCN1CCCCCC1 62a_100000722644_100000744528 [0,1,0,1,0,0|2,0,0]=4 23739 B15R1.8958 NC(=O)CCSCCN1CCCCCC1 62a_100000744528_100000722644 [0,1,0,1,0,0|2,0,0]=4 23740 B15R1.8958 NC(=O)COCCCN1CCCCCC1 34a_100102886287_100000187820 [0,1,0,1,0,0|2,0,0]=4 23741 B15R1.8958 NC(=O)COCCCN1CCCCCC1 7a_100102886287_100000187820 [0,1,0,1,0,0|2,0,0]=4 23742 B15R1.8958 NC(=O)COCCNC1CCCCCC1 2230a_100000210984_100000076697 [0,1,0,1,0,0|2,0,0]=4 23743 B15R1.8958 NC(=O)COCCNC1CCCCCC1 34a_100000210984_100000076697 [0,1,0,1,0,0|2,0,0]=4 23744 B15R1.8958 NC(=O)COCCOC1CCCCCC1 34a_100000210887_100000076697 [0,1,0,1,0,0|2,0,0]=4 23745 B15R1.8958 NC(=O)COCCOC1CCCCCC1 7a_100000210887_100000076697 [0,1,0,1,0,0|2,0,0]=4 23746 B15R1.8958 NC(=O)COCCSC1CCCCCC1 62a_100000076697_100011217769 [0,1,0,1,0,0|2,0,0]=4 23747 B15R1.8958 NC(=O)COCCSC1CCCCCC1 62a_100011217769_100000076697 [0,1,0,1,0,0|2,0,0]=4 23748 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 2230a_100015204231_200000034859 [0,1,0,1,0,0|2,0,0]=4 23749 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 269862a_100020590234_200000763224 [0,1,0,1,0,0|2,0,0]=4 23750 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 34a_100020590234_200000696569 [0,1,0,1,0,0|2,0,0]=4 23751 B15R1.8958 NC(=O)NCCOCC1CCCCCC1 34a_100000181757_200000696569 [0,1,0,1,0,0|2,0,0]=4 23752 B15R1.8958 NC(=O)NCCOCC1CCCCCC1 7a_100000699130_200000034859 [0,1,0,1,0,0|2,0,0]=4 23753 B15R1.8958 NC(=O)NCCSCC1CCCCCC1 62a_200000034859_200000696569 [0,1,0,1,0,0|2,0,0]=4 23754 B15R1.8958 NC(=O)NCCSCC1CCCCCC1 62a_200000696569_200000034859 [0,1,0,1,0,0|2,0,0]=4 23755 B15R1.8958 NC(=O)OCCNCC1CCCCCC1 34a_100015204231_200011214921 [0,1,0,1,0,0|2,0,0]=4 23756 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 34a_100000699130_200011214921 [0,1,0,1,0,0|2,0,0]=4 23757 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 7a_100000699130_200011214921 [0,1,0,1,0,0|2,0,0]=4 23758 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 7a_100000766696_200000696569 [0,1,0,1,0,0|2,0,0]=4 23759 B15R1.8958 NC(=O)OCCSCC1CCCCCC1 62a_200000696569_200011214921 [0,1,0,1,0,0|2,0,0]=4 23760 B15R1.8958 NC(=O)OCCSCC1CCCCCC1 62a_200011214921_200000696569 [0,1,0,1,0,0|2,0,0]=4 23761 B15R1.8958 O=C(O)COCCNC1CCCCCC1 269956a_100000700818_100011217769 [0,1,0,1,0,0|2,0,0]=4 23762 B15R1.8958 O=C([O-])COCCCN1CCCCCC1 34a_100102886287_100020667443 [0,1,0,1,0,0|2,0,0]=4 23763 B15R1.8958 O=[N+]([O-])CCCCOC1CCCCCC1 34a_200015379883_100011217769 [0,1,0,1,0,0|2,0,0]=4 23764 B15R1.8958 O=[N+]([O-])CCCOCC1CCCCCC1 34a_200000037920_200000696569 [0,1,0,1,0,0|2,0,0]=4 23765 B15R1.9036 CN(C)C1CCCCCCCCCCC1 270004a_100102631434_100000210130 [0,1,0,1,0,0|2,0,0]=4 23766 B15R1.9274 CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210759 [0,1,0,1,0,0|1,0,0]=3 23767 B15R1.9274 COCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011998445 [0,1,0,1,0,0|2,0,0]=4 23768 B15R1.9274 O=C(O)C1CCN1CCCCCCCO 269956a_100000021838_100000760002 [0,1,0,1,0,0|2,0,0]=4 23769 B15R1.10901 CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210207 [0,1,0,1,0,0|1,0,0]=3 23770 B15R1.10901 COCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000766300 [0,1,0,1,0,0|2,0,0]=4 23771 B15R1.10901 CSCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011218213 [0,1,0,1,0,0|2,0,0]=4 23772 B15R1.10901 O=C(O)[C@H]1CCCCCC[C@H]1NCCF 269956a_200049070474_100011217306 [0,1,0,1,0,0|2,0,0]=4 23773 B15R1.10901 O=C(O)[C@H]1CCCCCC[C@H]1NCCO 269956a_200049070474_100000211926 [0,1,0,1,0,0|2,0,0]=4 23774 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100011215641 [0,1,0,1,0,0|1,0,0]=3 23775 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 34a_100000039187_100000685027 [0,1,0,1,0,0|1,0,0]=3 23776 B15R1.12194 CC(=O)NCCN1CCCCCCCC1 2230a_100000039187_100000189650 [0,1,0,1,0,0|2,0,0]=4 23777 B15R1.12194 CC(=O)NCCN1CCCCCCCC1 269982a_100000039187_100000189650 [0,1,0,1,0,0|2,0,0]=4 23778 B15R1.12194 CC(=O)OCCN1CCCCCCCC1 269982a_100000039187_100009814007 [0,1,0,1,0,0|2,0,0]=4 23779 B15R1.12194 CC(=O)OCCN1CCCCCCCC1 34a_100000039187_100009814007 [0,1,0,1,0,0|2,0,0]=4 23780 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100102525003 [0,1,0,1,0,0|1,0,0]=3 23781 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 34a_100000039187_100102525003 [0,1,0,1,0,0|1,0,0]=3 23782 B15R1.12194 NC(=O)NCCN1CCCCCCCC1 2230a_100000039187_200000034859 [0,1,0,1,0,0|2,0,0]=4 23783 B15R1.12194 NC(=O)NCCN1CCCCCCCC1 269982a_100000039187_200000034859 [0,1,0,1,0,0|2,0,0]=4 23784 B15R1.12194 NC(=O)OCCN1CCCCCCCC1 269982a_100000039187_200011214921 [0,1,0,1,0,0|2,0,0]=4 23785 B15R1.12194 NC(=O)OCCN1CCCCCCCC1 34a_100000039187_200011214921 [0,1,0,1,0,0|2,0,0]=4 23786 B15R1.157 C=CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000754431 [0,1,0,1,0,0|1,0,1]=4 23787 B15R1.157 C=CCCC(=O)CCCC1CCCCC1 1458a_100000749702_100011713725 [0,1,0,1,0,0|1,0,1]=4 23788 B15R1.157 C=CCCC(C)NCCC1CCCCC1 270004a_100000738074_100000762624 [0,1,0,1,0,0|2,0,0]=4 23789 B15R1.157 C=CCCC(C)OCCC1CCCCC1 34a_100000765329_100011209188 [0,1,0,1,0,0|2,0,0]=4 23790 B15R1.157 C=CCCC(C)OCCC1CCCCC1 7a_100000765329_100011273959 [0,1,0,1,0,0|2,0,0]=4 23791 B15R1.157 C=CCCN(C)CCCC1CCCCC1 2230a_100020639649_100011713725 [0,1,0,1,0,0|2,0,0]=4 23792 B15R1.157 C=CCCN(C)CCCC1CCCCC1 269982a_100020639649_100011713725 [0,1,0,1,0,0|2,0,0]=4 23793 B15R1.830 C=CCCN(C)C1CCCC1CCCC 270004a_100020639649_100000750825 [0,1,0,1,0,0|2,0,0]=4 23794 B15R1.1029 CCC1CN(CCN1CCCCC=O)C 2230a_100011941019_100000139335 [0,1,0,1,0,0|2,0,0]=4 23795 B15R1.1029 CCC1CN(CCN1CCCCC=O)C 269982a_100011941019_100000139335 [0,1,0,1,0,0|2,0,0]=4 23796 B15R1.1207 CC(CCCCl)OC1CCCCCC1=O 7a_200000718107_100000243696 [0,1,0,1,0,0|2,0,0]=4 23797 B15R1.1207 CCCCC(=O)CN1CCCCCC1=O 1458a_100000181294_100000210211 [0,1,0,1,0,0|1,0,1]=4 23798 B15R1.1207 CCCCC(C)NC1CCCCNC1=O 2230a_100000126638_100000735217 [0,1,0,1,0,0|2,0,0]=4 23799 B15R1.1207 CCCCC(C)NC1CCCCNC1=O 2230a_100000698827_200011215066 [0,1,0,1,0,0|2,0,0]=4 23800 B15R1.1207 CCCCC(C)NC1CCCCNC1=O 270004a_100000698827_100000210087 [0,1,0,1,0,0|2,0,0]=4 23801 B15R1.1207 CCCCC(C)NC1CCCCNC1=O 34a_100000698827_200011215066 [0,1,0,1,0,0|2,0,0]=4 23802 B15R1.1207 CCCCC(C)OC1CCCCCC1=O 7a_100000687866_100000243696 [0,1,0,1,0,0|1,0,0]=3 23803 B15R1.1207 CCCCC(C)OC1CCCCNC1=O 7a_100000687866_100000735217 [0,1,0,1,0,0|2,0,0]=4 23804 B15R1.1207 CCCCC(C)SC1CCCCCC1=O 62a_100000243696_200011215066 [0,1,0,1,0,0|1,0,0]=3 23805 B15R1.1207 CCCCC(C)SC1CCCCCC1=O 62a_200011215066_100000243696 [0,1,0,1,0,0|1,0,0]=3 23806 B15R1.1207 CCCCC(C)SC1CCCCNC1=O 62a_100000735217_200011215066 [0,1,0,1,0,0|2,0,0]=4 23807 B15R1.1207 CCCCC(C)SC1CCCCNC1=O 62a_200011215066_100000735217 [0,1,0,1,0,0|2,0,0]=4 23808 B15R1.1207 CCOCC(C)OC1CCCCCC1=O 7a_100000718985_100000243696 [0,1,0,1,0,0|2,0,0]=4 23809 B15R1.1208 CCCCC(=O)CCN1CCCCC1=O 1458a_100011236303_100000210211 [0,1,0,1,0,0|1,0,1]=4 23810 B15R1.1208 CCCCC(C)COC1CCCCC1=O 34a_100011995851_100000754470 [0,1,0,1,0,0|1,0,0]=3 23811 B15R1.1208 CCCCC(C)COC1CCCCC1=O 7a_100011995851_100000204591 [0,1,0,1,0,0|1,0,0]=3 23812 B15R1.1208 CCCCC(C)COC1CCCNC1=O 34a_100011995851_100000687798 [0,1,0,1,0,0|2,0,0]=4 23813 B15R1.1208 CCCCC(C)COC1CCCNC1=O 7a_100011995851_100000687798 [0,1,0,1,0,0|2,0,0]=4 23814 B15R1.1208 CCCCC(C)COC1COCCC1=O 34a_100011995851_100012180262 [0,1,0,1,0,0|2,0,0]=4 23815 B15R1.1208 CCCCC(C)COC1COCCC1=O 7a_100011995851_100012180262 [0,1,0,1,0,0|2,0,0]=4 23816 B15R1.1208 CCCCC(C)OCC1CCCCC1=O 34a_100009861125_200011215066 [0,1,0,1,0,0|1,0,0]=3 23817 B15R1.1208 CCCCC(C)OCC1CCCCC1=O 7a_100009861125_200011215066 [0,1,0,1,0,0|1,0,0]=3 23818 B15R1.1208 CCCC[C@H](N)COC1CCCCC1=O 34a_100011934283_100000754470 [0,1,0,1,0,0|1,0,0]=3 23819 B15R1.1208 CCCC[C@H](N)COC1CCCNC1=O 34a_100011934283_100000687798 [0,1,0,1,0,0|2,0,0]=4 23820 B15R1.1208 CCCC[C@H](N)COC1COCCC1=O 34a_100011934283_100012180262 [0,1,0,1,0,0|2,0,0]=4 23821 B15R1.1208 CCCOC(C)CNC1CCCCC1=O 34a_100015185124_100000754470 [0,1,0,1,0,0|2,0,0]=4 23822 B15R1.1208 CCOCC(O)CNC1CCCCC1=O 34a_102515437182_100000754470 [0,1,0,1,0,0|2,0,0]=4 23823 B15R1.1208 CSCC[C@H](N)COC1CCCCC1=O 34a_100011827619_100000754470 [0,1,0,1,0,0|2,0,0]=4 23824 B15R1.1208 C[C@H](CCCO)CNC1CCCCC1=O 34a_100160569302_100000754470 [0,1,0,1,0,0|2,0,0]=4 23825 B15R1.1220 C=CCCC(C)NCCCC1CCCC1 270004a_100000736752_100000762624 [0,1,0,1,0,0|2,0,0]=4 23826 B15R1.1220 C=CCCC(C)OCCCC1CCCC1 34a_100000765329_100011713738 [0,1,0,1,0,0|2,0,0]=4 23827 B15R1.1220 C=CCCC(C)OCCCC1CCCC1 7a_100000765329_100011713738 [0,1,0,1,0,0|2,0,0]=4 23828 B15R1.1240 C=CCC1CCCCC1N(C)CCCC 270004a_100000207549_100011214939 [0,1,0,1,0,0|2,0,0]=4 23829 B15R1.1240 C=CCCC(C)N1CCCCC1CCC 270004a_100000701414_100000762624 [0,1,0,1,0,0|2,0,0]=4 23830 B15R1.1240 C=CCCN(C)C1CCCCC1CCC 270004a_100020639649_100011218038 [0,1,0,1,0,0|2,0,0]=4 23831 B15R1.1933 C=CCCCCCCN1C(CCC1C)C 2230a_100000687148_100011215473 [0,1,0,1,0,0|2,0,0]=4 23832 B15R1.1933 C=CCCCCCCN1C(CCC1C)C 269982a_100000687148_100011215473 [0,1,0,1,0,0|2,0,0]=4 23833 B15R1.1933 C=CCCCCCCN1C(CCC1C)C 34a_100000687148_100011215473 [0,1,0,1,0,0|2,0,0]=4 23834 B15R1.1933 CCCCCCCNC1C(=O)CCC1=O 2230a_100000229938_100009820769 [0,1,0,1,0,0|1,0,1]=4 23835 B15R1.1933 CCCCCCCOC1C(=O)CCC1=O 7a_100000210272_100009820769 [0,1,0,1,0,0|1,0,1]=4 23836 B15R1.1933 CCCCCCCSC1C(=O)CCC1=O 62a_100000210614_100009820769 [0,1,0,1,0,0|1,0,1]=4 23837 B15R1.1933 CCCCCCCSC1C(=O)CCC1=O 62a_100009820769_100000210316 [0,1,0,1,0,0|1,0,1]=4 23838 B15R1.2178 C=CCCC(C)N1CCCCCCCC1 270004a_100000039187_100000762624 [0,1,0,1,0,0|2,0,0]=4 23839 B15R1.2178 C=CCCN(C)C1CCCCCCCC1 270004a_100020639649_100000038600 [0,1,0,1,0,0|2,0,0]=4 23840 B15R1.2207 C=CCCC(C)NCC1CCCCCC1 270004a_100015204231_100000762624 [0,1,0,1,0,0|2,0,0]=4 23841 B15R1.2207 C=CCCC(C)OCC1CCCCCC1 34a_100000765329_200000696569 [0,1,0,1,0,0|2,0,0]=4 23842 B15R1.2207 C=CCCC(C)OCC1CCCCCC1 7a_100000765329_200000696569 [0,1,0,1,0,0|2,0,0]=4 23843 B15R1.2430 C=CCCC(C)NC1CCCCCCC1 270004a_100000211152_100000762624 [0,1,0,1,0,0|2,0,0]=4 23844 B15R1.2430 CCCCC(C)OC1C=CCCCCC1 34a_100000688657_200011215066 [0,1,0,1,0,0|2,0,0]=4 23845 B15R1.3516 C=CCCCCNC1CC(CCC1C)C 269862a_100000703577_100000034887 [0,1,0,1,0,0|2,0,0]=4 23846 B15R1.3516 C=CCCCCNC1CC(CCC1C)C 270004a_100000703577_100000034887 [0,1,0,1,0,0|2,0,0]=4 23847 B15R1.3516 C=CCCCCOC1CC(CCC1C)C 34a_100011217446_100011215482 [0,1,0,1,0,0|2,0,0]=4 23848 B15R1.3516 C=CCCCCOC1CC(CCC1C)C 7a_100011217446_100011215482 [0,1,0,1,0,0|2,0,0]=4 23849 B15R1.3516 CC1CCC(C(C1)OCCCCC=O)C 7a_100011217446_100000139335 [0,1,0,1,0,0|1,0,0]=3 23850 B15R1.3516 C[C@@H]1CN([C@@H](CO1)C)CCCCCC=O 2230a_100016991869_100000139337 [0,1,0,1,0,0|2,0,0]=4 23851 B15R1.3516 C[C@@H]1CN([C@@H](CO1)C)CCCCCC=O 269982a_100016991869_100000139337 [0,1,0,1,0,0|2,0,0]=4 23852 B15R1.3517 O=CCCCCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000139337 [0,1,0,1,0,0|2,0,0]=4 23853 B15R1.3517 O=CCCCCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000139337 [0,1,0,1,0,0|2,0,0]=4 23854 B15R1.3517 O=CCCCCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000139337 [0,1,0,1,0,0|2,0,0]=4 23855 B15R1.3517 O=CCCCCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000139337 [0,1,0,1,0,0|2,0,0]=4 23856 B15R1.3894 CCCCC(C)NCCN1CCCC1=O 2230a_100000126638_100000739059 [0,1,0,1,0,0|2,0,0]=4 23857 B15R1.3894 CCCCC(C)NCCN1CCCC1=O 2230a_100011200922_200011215066 [0,1,0,1,0,0|2,0,0]=4 23858 B15R1.3894 CCCCC(C)NCCN1CCCC1=O 270004a_100011200922_100000210087 [0,1,0,1,0,0|2,0,0]=4 23859 B15R1.3894 CCCCC(C)OCCN1CCCC1=O 34a_100000211209_200011215066 [0,1,0,1,0,0|2,0,0]=4 23860 B15R1.3894 CCCCC(C)OCCN1CCCC1=O 34a_100000687866_100000739059 [0,1,0,1,0,0|2,0,0]=4 23861 B15R1.3894 CCCCC(C)OCCN1CCCC1=O 7a_100000211209_200011215066 [0,1,0,1,0,0|2,0,0]=4 23862 B15R1.3894 CCCCC(C)OCCN1CCCC1=O 7a_100000687866_100000739059 [0,1,0,1,0,0|2,0,0]=4 23863 B15R1.3894 CCCCC(C)SCCN1CCCC1=O 62a_100000739059_200011215066 [0,1,0,1,0,0|2,0,0]=4 23864 B15R1.3894 CCCCC(C)SCCN1CCCC1=O 62a_200011215066_100000739059 [0,1,0,1,0,0|2,0,0]=4 23865 B15R1.3906 CCCCC(C)COCCC1CCC1=O 7a_100011995851_200016118888 [0,1,0,1,0,0|1,0,0]=3 23866 B15R1.3906 CCCOC(C)CNCCC1CCC1=O 2230a_100015185124_200016118888 [0,1,0,1,0,0|2,0,0]=4 23867 B15R1.3906 CCOCC(O)CNCCC1CCC1=O 2230a_102515437182_200016118888 [0,1,0,1,0,0|2,0,0]=4 23868 B15R1.3906 C[C@H](CCCO)CNCCC1CCC1=O 2230a_100160569302_200016118888 [0,1,0,1,0,0|2,0,0]=4 23869 B15R1.9714 C=CCCCCCCCC(=O)C1CCC1 1458a_100000209988_100012355270 [0,1,0,1,0,0|1,0,1]=4 23870 B15R1.9714 C=CCCCCCCCC(=O)C1CCC1 1458a_100011216160_100000749161 [0,1,0,1,0,0|1,0,1]=4 23871 B15R1.9714 C=CCCCCCCCN(C)C1CCC1 2230a_100000758072_100012355270 [0,1,0,1,0,0|2,0,0]=4 23872 B15R1.9714 C=CCCCCCCCN(C)C1CCC1 269982a_100000758072_100012355270 [0,1,0,1,0,0|2,0,0]=4 23873 B15R1.9714 C=CCCCCCCCN(C)C1CCC1 34a_100000758072_100012355270 [0,1,0,1,0,0|2,0,0]=4 23874 B15R1.9714 C=CCCCCCCNC(C)C1CCC1 2230a_100016994624_100011215473 [0,1,0,1,0,0|2,0,0]=4 23875 B15R1.9714 C=CCCCCCCNC(C)C1CCC1 34a_100016994624_100011215473 [0,1,0,1,0,0|2,0,0]=4 23876 B15R1.9714 C=CCCCCCCOC(C)C1CCC1 34a_100000766398_100011215473 [0,1,0,1,0,0|2,0,0]=4 23877 B15R1.9714 C=CCCCCCCOC(C)C1CCC1 7a_100000766398_100011215473 [0,1,0,1,0,0|2,0,0]=4 23878 B15R1.9714 O=CCCCCCSCC(=O)C1CCC1 62a_100000139337_100000686122 [0,1,0,1,0,0|1,0,1]=4 23879 B15R1.9714 O=CCCCCCSCC(=O)C1CCC1 62a_100000686122_100000139337 [0,1,0,1,0,0|1,0,1]=4 23880 B15R1.9716 C=CCCCCCCCC(=O)CC1CC1 1458a_100000738066_100012355270 [0,1,0,1,0,0|1,0,1]=4 23881 B15R1.9716 C=CCCCCCCCC(=O)CC1CC1 1458a_100011216160_100000742324 [0,1,0,1,0,0|1,0,1]=4 23882 B15R1.9716 C=CCCCCCCCN(C)CC1CC1 2230a_100000741881_100012355270 [0,1,0,1,0,0|2,0,0]=4 23883 B15R1.9716 C=CCCCCCCCN(C)CC1CC1 269982a_100000741881_100012355270 [0,1,0,1,0,0|2,0,0]=4 23884 B15R1.15309 C=CCCCCCCOC1(CCCC1)C 34a_100000751722_100011215473 [0,1,0,1,0,0|2,0,0]=4 23885 B15R1.15309 C=CCCCCCCOC1(CCCC1)C 7a_100000751722_100011215473 [0,1,0,1,0,0|2,0,0]=4 23886 B15R1.15309 C=CCCCCCNCC1(CCCC1)O 2230a_100000737848_100000700193 [0,1,0,1,0,0|2,0,0]=4 23887 B15R1.15309 C=CCCCCCOCC1(CCCC1)N 34a_100000749328_100000700193 [0,1,0,1,0,0|2,0,0]=4 23888 B15R1.15309 C=CCCCCNCCC1(CCCC1)O 34a_100000719956_100011215482 [0,1,0,1,0,0|2,0,0]=4 23889 B15R1.15309 O=CCCCCCNCC1(CCCC1)O 2230a_100000737848_100000139337 [0,1,0,1,0,0|1,0,0]=3 23890 B15R1.40557 C=CCCCCCCCC(=O)C1CC1C 1458a_100000211227_100012355270 [0,1,0,1,0,0|1,0,1]=4 23891 B15R2.43 C=CCC1CCCCC1N2CCCC2 270004a_100000188435_100011214939 [0,0,0,2,0,0|2,0,0]=4 23892 B15R2.47 O=CCN1CCCC1CN2CCCC2 2230a_100000746075_200015260668 [0,0,0,2,0,0|2,0,0]=4 23893 B15R2.47 O=CCN1CCCC1CN2CCCC2 269982a_100000746075_200015260668 [0,0,0,2,0,0|2,0,0]=4 23894 B15R2.343 O=C1CCCCCC1OC2CCCC2 7a_100000210269_100000243696 [0,0,0,2,0,0|1,0,0]=3 23895 B15R2.343 O=C1CCCCCC1OC2CCSC2 7a_100011232664_100000243696 [0,0,0,2,0,0|2,0,0]=4 23896 B15R2.343 O=C1CCCCCC1SC2CCCC2 62a_100000243696_100000179811 [0,0,0,2,0,0|1,0,0]=3 23897 B15R2.343 O=C1CCCCCC1SC2CCCC2 62a_100011217020_100000243696 [0,0,0,2,0,0|1,0,0]=3 23898 B15R2.343 O=C1CCCCCC1SC2CCOC2 62a_100000243696_100000690089 [0,0,0,2,0,0|2,0,0]=4 23899 B15R2.343 O=C1NCCCCC1NC2CCCC2 2230a_100000211070_100000735217 [0,0,0,2,0,0|2,0,0]=4 23900 B15R2.343 O=C1NCCCCC1NC2CCCC2 2230a_100000698827_100000179811 [0,0,0,2,0,0|2,0,0]=4 23901 B15R2.343 O=C1NCCCCC1NC2CCCC2 270004a_100000698827_100000210133 [0,0,0,2,0,0|2,0,0]=4 23902 B15R2.343 O=C1NCCCCC1NC2CCCC2 34a_100000698827_100000179811 [0,0,0,2,0,0|2,0,0]=4 23903 B15R2.343 O=C1NCCCCC1OC2CCCC2 7a_100000210269_100000735217 [0,0,0,2,0,0|2,0,0]=4 23904 B15R2.343 O=C1NCCCCC1SC2CCCC2 62a_100000735217_100000179811 [0,0,0,2,0,0|2,0,0]=4 23905 B15R2.343 O=C1NCCCCC1SC2CCCC2 62a_100011217020_100000735217 [0,0,0,2,0,0|2,0,0]=4 23906 B15R2.404 O=C1CCCC1NCCC2CCCC2 2230a_100000739158_100000211823 [0,0,0,2,0,0|1,0,0]=3 23907 B15R2.404 O=C1CCCC1NCCC2CCCC2 34a_100000739158_100000709159 [0,0,0,2,0,0|1,0,0]=3 23908 B15R2.404 O=C1CCCC1OCCC2CCCC2 34a_100000749090_100000709159 [0,0,0,2,0,0|1,0,0]=3 23909 B15R2.404 O=C1CCCC1OCCC2CCCC2 34a_200000719330_100000760354 [0,0,0,2,0,0|1,0,0]=3 23910 B15R2.404 O=C1CCCC1OCCC2CCCC2 7a_100000749090_100000211823 [0,0,0,2,0,0|1,0,0]=3 23911 B15R2.404 O=C1CCCC1OCCC2CCNC2 34a_100016987287_100000709159 [0,0,0,2,0,0|2,0,0]=4 23912 B15R2.404 O=C1CCCC1OCCC2CCOC2 34a_100011879284_100000709159 [0,0,0,2,0,0|2,0,0]=4 23913 B15R2.404 O=C1CCCC1SCCC2CCCC2 62a_100000211823_100000760354 [0,0,0,2,0,0|1,0,0]=3 23914 B15R2.404 O=C1CCCC1SCCC2CCCC2 62a_100000760354_100000211823 [0,0,0,2,0,0|1,0,0]=3 23915 B15R2.404 O=C1CCCC1SCCN2CCCC2 62a_100000211823_100000004467 [0,0,0,2,0,0|2,0,0]=4 23916 B15R2.404 O=C1CCCC1SCCN2CCCC2 62a_100000700749_100000211823 [0,0,0,2,0,0|2,0,0]=4 23917 B15R2.404 O=C1CCCN1CCNC2CCCC2 2230a_100000211070_100000739059 [0,0,0,2,0,0|2,0,0]=4 23918 B15R2.404 O=C1CCCN1CCNC2CCCC2 2230a_100011200922_100000179811 [0,0,0,2,0,0|2,0,0]=4 23919 B15R2.404 O=C1CCCN1CCNC2CCCC2 270004a_100011200922_100000210133 [0,0,0,2,0,0|2,0,0]=4 23920 B15R2.404 O=C1CCCN1CCNC2CCCC2 34a_100000211070_100000739059 [0,0,0,2,0,0|2,0,0]=4 23921 B15R2.404 O=C1CCCN1CCOC2CCCC2 34a_100000210269_100000739059 [0,0,0,2,0,0|2,0,0]=4 23922 B15R2.404 O=C1CCCN1CCOC2CCCC2 34a_100000211209_100000179811 [0,0,0,2,0,0|2,0,0]=4 23923 B15R2.404 O=C1CCCN1CCOC2CCCC2 7a_100000210269_100000739059 [0,0,0,2,0,0|2,0,0]=4 23924 B15R2.404 O=C1CCCN1CCOC2CCCC2 7a_100000211209_100000179811 [0,0,0,2,0,0|2,0,0]=4 23925 B15R2.404 O=C1CCCN1CCSC2CCCC2 62a_100000739059_100000179811 [0,0,0,2,0,0|2,0,0]=4 23926 B15R2.404 O=C1CCCN1CCSC2CCCC2 62a_100011217020_100000739059 [0,0,0,2,0,0|2,0,0]=4 23927 B15R2.404 O=C1CCCN1CSCC2CCCC2 62a_100000026320_100000740388 [0,0,0,2,0,0|2,0,0]=4 23928 B15R2.404 O=C1CCCN1CSCC2CCCC2 62a_100000740388_100000026320 [0,0,0,2,0,0|2,0,0]=4 23929 B15R2.404 O=C1NCCC1COCC2CCCC2 34a_100000133458_100000740388 [0,0,0,2,0,0|2,0,0]=4 23930 B15R2.404 O=C1NCCC1NCCC2CCCC2 2230a_100016995588_100000760354 [0,0,0,2,0,0|2,0,0]=4 23931 B15R2.404 O=C1NCCC1NCCC2CCCC2 34a_100016995588_100000760354 [0,0,0,2,0,0|2,0,0]=4 23932 B15R2.404 O=C1NCC[C@@H]1OCCC2CCCC2 34a_100000688343_100000760354 [0,0,0,2,0,0|2,0,0]=4 23933 B15R2.404 O=C1OCCC1NCCC2CCCC2 2230a_100000739158_100000211211 [0,0,0,2,0,0|2,0,0]=4 23934 B15R2.404 O=C1OCCC1NCCC2CCCC2 34a_100000739158_100000211211 [0,0,0,2,0,0|2,0,0]=4 23935 B15R2.404 O=C1OCCC1OCCC2CCCC2 34a_100000749090_100000211211 [0,0,0,2,0,0|2,0,0]=4 23936 B15R2.404 O=C1OCCC1OCCC2CCCC2 7a_100000749090_100000211211 [0,0,0,2,0,0|2,0,0]=4 23937 B15R2.404 O=C1OCCC1SCCC2CCCC2 62a_100000211211_100000760354 [0,0,0,2,0,0|2,0,0]=4 23938 B15R2.404 O=C1OCCC1SCCC2CCCC2 62a_100000760354_100000211211 [0,0,0,2,0,0|2,0,0]=4 23939 B15R2.562 O=C1CCCCC1COC2CCCC2 34a_100009861125_100000179811 [0,0,0,2,0,0|1,0,0]=3 23940 B15R2.562 O=C1CCCCC1COC2CCCC2 7a_100009861125_100000179811 [0,0,0,2,0,0|1,0,0]=3 23941 B15R2.562 O=C1CCCCC1COC2CCOC2 34a_100009861125_100000690089 [0,0,0,2,0,0|2,0,0]=4 23942 B15R2.562 O=C1CCCCC1COC2CCOC2 7a_100009861125_100000731011 [0,0,0,2,0,0|2,0,0]=4 23943 B15R2.562 O=C1CCCCC1NCC2CCCC2 34a_100000737975_100000754470 [0,0,0,2,0,0|1,0,0]=3 23944 B15R2.562 O=C1CCCCC1NCC2CCOC2 34a_100000737293_100000754470 [0,0,0,2,0,0|2,0,0]=4 23945 B15R2.562 O=C1CCCCC1NC[C@@H]2CCCO2 34a_100020590478_100000754470 [0,0,0,2,0,0|2,0,0]=4 23946 B15R2.562 O=C1CCCCC1OCC2CCCC2 34a_100000742336_100000754470 [0,0,0,2,0,0|1,0,0]=3 23947 B15R2.562 O=C1CCCCC1OCC2CCCC2 34a_100011214950_100000740388 [0,0,0,2,0,0|1,0,0]=3 23948 B15R2.562 O=C1CCCCC1OCC2CCCC2 7a_100000742336_100000204591 [0,0,0,2,0,0|1,0,0]=3 23949 B15R2.562 O=C1CCCCC1OCC2CCCO2 34a_100000210270_100000754470 [0,0,0,2,0,0|2,0,0]=4 23950 B15R2.562 O=C1CCCCC1OCC2CCCO2 7a_100000210270_100000204591 [0,0,0,2,0,0|2,0,0]=4 23951 B15R2.562 O=C1CCCCC1OCC2CCNC2 34a_100000748654_100000754470 [0,0,0,2,0,0|2,0,0]=4 23952 B15R2.562 O=C1CCCCC1OCC2CCOC2 34a_100000740260_100000754470 [0,0,0,2,0,0|2,0,0]=4 23953 B15R2.562 O=C1CCCCC1OCC2CCOC2 34a_100011214950_100011261433 [0,0,0,2,0,0|2,0,0]=4 23954 B15R2.562 O=C1CCCCC1OC[C@H]2CCCN2 34a_100000745186_100000754470 [0,0,0,2,0,0|2,0,0]=4 23955 B15R2.562 O=C1CCCCC1SCC2CCCC2 62a_100000204591_100000740388 [0,0,0,2,0,0|1,0,0]=3 23956 B15R2.562 O=C1CCCCC1SCC2CCCC2 62a_100000740388_100000204591 [0,0,0,2,0,0|1,0,0]=3 23957 B15R2.562 O=C1CCCCC1SCC2CCCO2 62a_100000203698_100000204591 [0,0,0,2,0,0|2,0,0]=4 23958 B15R2.562 O=C1CCCCC1SCC2CCCO2 62a_100000204591_100000203698 [0,0,0,2,0,0|2,0,0]=4 23959 B15R2.562 O=C1CCCCC1SCC2CCOC2 62a_100000204591_100000702531 [0,0,0,2,0,0|2,0,0]=4 23960 B15R2.562 O=C1CCCCC1SCC2CCOC2 62a_100000702531_100000204591 [0,0,0,2,0,0|2,0,0]=4 23961 B15R2.562 O=C1CCOCC1NCC2CCCC2 34a_100000737975_100012180262 [0,0,0,2,0,0|2,0,0]=4 23962 B15R2.562 O=C1CCOCC1OCC2CCCC2 34a_100000742336_100012180262 [0,0,0,2,0,0|2,0,0]=4 23963 B15R2.562 O=C1CCOCC1OCC2CCCC2 7a_100000742336_100012180262 [0,0,0,2,0,0|2,0,0]=4 23964 B15R2.562 O=C1CCOCC1SCC2CCCC2 62a_100000740388_100012180262 [0,0,0,2,0,0|2,0,0]=4 23965 B15R2.562 O=C1CCOCC1SCC2CCCC2 62a_100012180262_100000740388 [0,0,0,2,0,0|2,0,0]=4 23966 B15R2.562 O=C1NCCCC1NCC2CCCC2 2230a_100000737975_100000687798 [0,0,0,2,0,0|2,0,0]=4 23967 B15R2.562 O=C1NCCCC1NCC2CCCC2 2230a_100000747585_100000740388 [0,0,0,2,0,0|2,0,0]=4 23968 B15R2.562 O=C1NCCCC1NCC2CCCC2 34a_100000737975_100000687798 [0,0,0,2,0,0|2,0,0]=4 23969 B15R2.562 O=C1NCCCC1NCC2CCCC2 34a_100000747585_100000740388 [0,0,0,2,0,0|2,0,0]=4 23970 B15R2.562 O=C1NCCCC1OCC2CCCC2 34a_100000073722_100000740388 [0,0,0,2,0,0|2,0,0]=4 23971 B15R2.562 O=C1NCCCC1OCC2CCCC2 34a_100000742336_100000687798 [0,0,0,2,0,0|2,0,0]=4 23972 B15R2.562 O=C1NCCCC1OCC2CCCC2 7a_100000742336_100000687798 [0,0,0,2,0,0|2,0,0]=4 23973 B15R2.562 O=C1NCCCC1SCC2CCCC2 62a_100000687798_100000740388 [0,0,0,2,0,0|2,0,0]=4 23974 B15R2.562 O=C1NCCCC1SCC2CCCC2 62a_100000740388_100000687798 [0,0,0,2,0,0|2,0,0]=4 23975 B15R2.1134 O=C1CCC1CCNCC2CCCC2 2230a_100000737975_200016118888 [0,0,0,2,0,0|1,0,0]=3 23976 B15R2.1134 O=C1CCC1CCNCC2CCOC2 2230a_100000737293_200016118888 [0,0,0,2,0,0|2,0,0]=4 23977 B15R2.1134 O=C1CCC1CCNC[C@@H]2CCCO2 2230a_100020590478_200016118888 [0,0,0,2,0,0|2,0,0]=4 23978 B15R2.1134 O=C1CCC1CCOCC2CCCC2 7a_100000742336_200016118888 [0,0,0,2,0,0|1,0,0]=3 23979 B15R2.1134 O=C1CCC1CCOCC2CCCO2 7a_100000210270_200016118888 [0,0,0,2,0,0|2,0,0]=4 23980 B15R2.1134 O=C1CCC1CCSCC2CCCC2 62a_100000740388_200016118888 [0,0,0,2,0,0|1,0,0]=3 23981 B15R2.1134 O=C1CCC1CCSCC2CCCC2 62a_200016118888_100000740388 [0,0,0,2,0,0|1,0,0]=3 23982 B15R2.1134 O=C1CCC1CCSCC2CCCO2 62a_100000203698_200016118888 [0,0,0,2,0,0|2,0,0]=4 23983 B15R2.1134 O=C1CCC1CCSCC2CCCO2 62a_200016118888_100000203698 [0,0,0,2,0,0|2,0,0]=4 23984 B15R2.1134 O=C1CCC1CCSCC2CCOC2 62a_100000702531_200016118888 [0,0,0,2,0,0|2,0,0]=4 23985 B15R2.1134 O=C1CCC1CCSCC2CCOC2 62a_200016118888_100000702531 [0,0,0,2,0,0|2,0,0]=4 23986 B15R2.1134 O=C1CCC1NCCCC2CCCC2 34a_100000736752_100009892977 [0,0,0,2,0,0|1,0,0]=3 23987 B15R2.1134 O=C1CCC1NCCOC2CCCC2 34a_100000741755_100009892977 [0,0,0,2,0,0|2,0,0]=4 23988 B15R2.1134 O=C1CCC1OCCCC2CCCC2 34a_100011215328_100009892977 [0,0,0,2,0,0|1,0,0]=3 23989 B15R2.1134 O=C1CCC1OCCCC2CCCC2 7a_100011215328_100009892977 [0,0,0,2,0,0|1,0,0]=3 23990 B15R2.1134 O=C1CCC1OCCNC2CCCC2 34a_200000200444_100009892977 [0,0,0,2,0,0|2,0,0]=4 23991 B15R2.1134 O=C1CCC1OCCOC2CCCC2 34a_100000738311_100009892977 [0,0,0,2,0,0|2,0,0]=4 23992 B15R2.1134 O=C1CCC1OCCOC2CCCC2 7a_100000738311_100009892977 [0,0,0,2,0,0|2,0,0]=4 23993 B15R2.1134 O=C1CCC1SCCCC2CCCC2 62a_100009892977_100011713738 [0,0,0,2,0,0|1,0,0]=3 23994 B15R2.1134 O=C1CCC1SCCCC2CCCC2 62a_100011713738_100009892977 [0,0,0,2,0,0|1,0,0]=3 23995 B15R2.1134 O=C1CCC1SCCCN2CCCC2 62a_100009892977_100011445909 [0,0,0,2,0,0|2,0,0]=4 23996 B15R2.1134 O=C1CCC1SCCCN2CCCC2 62a_100016991639_100009892977 [0,0,0,2,0,0|2,0,0]=4 23997 B15R2.2196 C1=CC(CCC1)NCCC2CCCC2 2230a_100000739158_100000751183 [0,0,0,2,0,0|2,0,0]=4 23998 B15R2.2196 C1=CC(CCC1)OCCC2CCCC2 34a_100011215024_100000760354 [0,0,0,2,0,0|2,0,0]=4 23999 B15R2.2196 C1=CC(CCC1)OCCC2CCCC2 7a_100000749090_100000751183 [0,0,0,2,0,0|2,0,0]=4 24000 B15R2.2196 C1=CC(CCC1)SCCC2CCCC2 62a_100000751183_100000760354 [0,0,0,2,0,0|2,0,0]=4 24001 B15R2.2196 C1=CC(CCC1)SCCC2CCCC2 62a_100000760354_100000751183 [0,0,0,2,0,0|2,0,0]=4 24002 B15R2.2229 C=CCCN1CCCC1C2CCCC2 2230a_100000743374_100000754431 [0,0,0,2,0,0|2,0,0]=4 24003 B15R2.2229 C=CCCN1CCCC1C2CCCC2 269982a_100000743374_100000754431 [0,0,0,2,0,0|2,0,0]=4 24004 B15R2.2229 C=CCCN1CCCC1C2CCCC2 34a_100000743374_100000754431 [0,0,0,2,0,0|2,0,0]=4 24005 B15R2.2229 C=CCNC1CCCC1C2CCCC2 270004a_100020586998_100011216175 [0,0,0,2,0,0|2,0,0]=4 24006 B15R2.3804 C1=CC(CCCCC1)OC2CCCC2 34a_100000688657_100000179811 [0,0,0,2,0,0|2,0,0]=4 24007 B15R2.7904 O=CCCCCCNC1C2C1COC2 2230a_100000702821_100000139337 [0,0,0,2,0,0|2,0,0]=4 24008 B15R2.19642 C=CCCCCCN1CC2CCC1C2 2230a_100000743476_100000700193 [0,0,0,2,0,0|2,0,0]=4 24009 B15R2.19642 C=CCCCCCN1CC2CCC1C2 269982a_100000743476_100000700193 [0,0,0,2,0,0|2,0,0]=4 24010 B15R2.19642 C=CCCCCCN1CC2CCC1C2 34a_100000743476_100000700193 [0,0,0,2,0,0|2,0,0]=4 24011 B15R2.19642 C=CCCCCNC1CC2CCC1C2 2230a_100000758229_100011215482 [0,0,0,2,0,0|2,0,0]=4 24012 B15R2.19642 C=CCCCCNC1CC2CCC1C2 269862a_100000703577_100000223372 [0,0,0,2,0,0|2,0,0]=4 24013 B15R2.19642 C=CCCCCNC1CC2CCC1C2 270004a_100000703577_100000223372 [0,0,0,2,0,0|2,0,0]=4 24014 B15R2.19642 C=CCCCCNC1CC2CCC1C2 34a_100000703577_100000727232 [0,0,0,2,0,0|2,0,0]=4 24015 B15R2.19642 C=CCCCCNC1CC2CCC1C2 34a_100000758229_100011215482 [0,0,0,2,0,0|2,0,0]=4 24016 B15R2.19642 C=CCCCCOC1CC2CCC1C2 34a_100000211339_100011215482 [0,0,0,2,0,0|2,0,0]=4 24017 B15R2.19642 C=CCCCCOC1CC2CCC1C2 34a_100000766645_100000727232 [0,0,0,2,0,0|2,0,0]=4 24018 B15R2.19642 C=CCCCCSC1CC2CCC1C2 62a_100000727232_100011215482 [0,0,0,2,0,0|2,0,0]=4 24019 B15R2.19642 C=CCCCCSC1CC2CCC1C2 62a_100011215482_100000727232 [0,0,0,2,0,0|2,0,0]=4 24020 B15R2.19642 C=CCCCNCC1CC2CCC1C2 269862a_100000700776_100000697602 [0,0,0,2,0,0|2,0,0]=4 24021 B15R2.19642 C=CCCCNCC1CC2CCC1C2 270004a_100000700776_100000697602 [0,0,0,2,0,0|2,0,0]=4 24022 B15R2.19642 C=CCCCOCC1CC2CCC1C2 34a_100000229996_100000757094 [0,0,0,2,0,0|2,0,0]=4 24023 B15R2.19642 CCCCCCCN1CC2C=CC1C2 2230a_100000732668_100000210681 [0,0,0,2,0,0|2,0,0]=4 24024 B15R2.19642 CCCCCCCN1CC2C=CC1C2 269982a_100000732668_100000210681 [0,0,0,2,0,0|2,0,0]=4 24025 B15R2.19642 CCCCCCCN1CC2C=CC1C2 34a_100000732668_100000210614 [0,0,0,2,0,0|2,0,0]=4 24026 B15R2.19642 CCCCCCOC1CC2C=CC1C2 34a_100000043678_100000210314 [0,0,0,2,0,0|2,0,0]=4 24027 B15R2.19642 CCCCCNCC1CC2C=CC1C2 2230a_100000189500_100000210326 [0,0,0,2,0,0|2,0,0]=4 24028 B15R2.19642 CCCCCNCC1CC2C=CC1C2 2230a_100000209983_200009814271 [0,0,0,2,0,0|2,0,0]=4 24029 B15R2.19642 CCCCCNCC1CC2C=CC1C2 34a_100000189500_100000718602 [0,0,0,2,0,0|2,0,0]=4 24030 B15R2.19642 CCCCCOCC1CC2C=CC1C2 34a_100000210253_200009814271 [0,0,0,2,0,0|2,0,0]=4 24031 B15R2.19642 CCCCCOCC1CC2C=CC1C2 34a_100011215361_100000718602 [0,0,0,2,0,0|2,0,0]=4 24032 B15R2.19642 CCCCCOCC1CC2C=CC1C2 7a_100000210253_100000139495 [0,0,0,2,0,0|2,0,0]=4 24033 B15R2.19642 CCCCCSCC1CC2C=CC1C2 62a_100000139495_100000210326 [0,0,0,2,0,0|2,0,0]=4 24034 B15R2.19642 CCCCCSCC1CC2C=CC1C2 62a_100000210326_100000139495 [0,0,0,2,0,0|2,0,0]=4 24035 B15R2.19642 O=CCCCCCN1CC2CCC1C2 2230a_100000743476_100000139337 [0,0,0,2,0,0|1,0,0]=3 24036 B15R2.19642 O=CCCCCCN1CC2CCC1C2 269982a_100000743476_100000139337 [0,0,0,2,0,0|1,0,0]=3 24037 B15R2.19642 O=CCCCCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000139337 [0,0,0,2,0,0|2,0,0]=4 24038 B15R2.19642 O=CCCCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000139337 [0,0,0,2,0,0|2,0,0]=4 24039 B15R2.19642 O=CCCCCNC1CC2CCC1C2 2230a_100000758229_100000139335 [0,0,0,2,0,0|1,0,0]=3 24040 B15R2.19642 O=CCCCCSC1CC2CCC1C2 62a_100000139335_100000727232 [0,0,0,2,0,0|1,0,0]=3 24041 B15R2.19642 O=CCCCCSC1CC2CCC1C2 62a_100000727232_100000139335 [0,0,0,2,0,0|1,0,0]=3 24042 B15R2.2123 C=CCCOC1CCC2CCCC2C1 34a_100000073670_100000754431 [0,0,0,2,0,0|2,0,0]=4 24043 B15R2.2123 C=CCCOC1CCC2CCCC2C1 7a_100000073670_100000754431 [0,0,0,2,0,0|2,0,0]=4 24044 B15R2.2123 O=CCCCN1CCN2CCC[C@@H]2C1 2230a_100000008389_200011292268 [0,0,0,2,0,0|2,0,0]=4 24045 B15R2.2123 O=CCCCN1CCN2CCC[C@@H]2C1 269982a_100000008389_200011292268 [0,0,0,2,0,0|2,0,0]=4 24046 B15R2.2326 CCC1CCCC1NC2CCNC2=O 270004a_100016995588_100000749056 [0,0,0,2,0,0|2,0,0]=4 24047 B15R2.2326 CCC1CCCN1CN2CCCC2=O 269982a_100000754278_100000026320 [0,0,0,2,0,0|2,0,0]=4 24048 B15R2.2342 CCC1CCCN1CCC2CCC2=O 2230a_100000754278_200016118888 [0,0,0,2,0,0|1,0,0]=3 24049 B15R2.2342 CCC1CCCN1CCC2CCC2=O 269982a_100000754278_200016118888 [0,0,0,2,0,0|1,0,0]=3 24050 B15R2.2342 CCN1CCC[C@@H]1COC2CCC2=O 34a_100011739246_100009892977 [0,0,0,2,0,0|2,0,0]=4 24051 B15R2.2342 CCN1CCC[C@@H]1COC2CCC2=O 7a_100011739246_100009892977 [0,0,0,2,0,0|2,0,0]=4 24052 B15R2.2342 O=C1CCC1CCN2CCC[C@@H]2CO 2230a_100000745186_200016118888 [0,0,0,2,0,0|2,0,0]=4 24053 B15R2.2342 O=C1CCC1CCN2CCC[C@@H]2CO 269982a_100000745186_200016118888 [0,0,0,2,0,0|2,0,0]=4 24054 B15R2.2348 CCC1CCCN1C2CCCCC2=O 269982a_100000754278_100000204591 [0,0,0,2,0,0|1,0,0]=3 24055 B15R2.2348 CCC1CCCN1C2CCCCC2=O 34a_100000754278_100000754470 [0,0,0,2,0,0|1,0,0]=3 24056 B15R2.2348 CCC1CCCN1C2CCCNC2=O 2230a_100000754278_100000687798 [0,0,0,2,0,0|2,0,0]=4 24057 B15R2.2348 CCC1CCCN1C2CCCNC2=O 269982a_100000754278_100000687798 [0,0,0,2,0,0|2,0,0]=4 24058 B15R2.2348 CCC1CCCN1C2CCCNC2=O 34a_100000754278_100000687798 [0,0,0,2,0,0|2,0,0]=4 24059 B15R2.2348 CCC1CCCN1C2COCCC2=O 34a_100000754278_100012180262 [0,0,0,2,0,0|2,0,0]=4 24060 B15R2.2348 O=C1CCCCC1N2CCC[C@@H]2CO 269982a_100000745186_100000204591 [0,0,0,2,0,0|2,0,0]=4 24061 B15R2.2348 O=C1CCCCC1N2CCC[C@@H]2CO 34a_100000745186_100000754470 [0,0,0,2,0,0|2,0,0]=4 24062 B15R2.4105 C=CCCCCCN1CCCC12CC2 2230a_100020620911_100000700193 [0,0,0,2,0,0|2,0,0]=4 24063 B15R2.4105 C=CCCCCCN1CCCC12CC2 269982a_100020620911_100000700193 [0,0,0,2,0,0|2,0,0]=4 24064 B15R2.4105 C=CCCCCCN1CCCC12CC2 34a_100020620911_100000700193 [0,0,0,2,0,0|2,0,0]=4 24065 B15R2.4105 C=CCCCCNC1CCCC12CC2 269862a_100000703577_100009881796 [0,0,0,2,0,0|2,0,0]=4 24066 B15R2.4105 O=CCCCCCN1CCCC12CC2 2230a_100020620911_100000139337 [0,0,0,2,0,0|1,0,0]=3 24067 B15R2.4105 O=CCCCCCN1CCCC12CC2 269982a_100020620911_100000139337 [0,0,0,2,0,0|1,0,0]=3 24068 B15R2.4591 C=CCCCCCN1C2CCC1CC2 2230a_100000735658_100000700193 [0,0,0,2,0,0|2,0,0]=4 24069 B15R2.4591 C=CCCCCCN1C2CCC1CC2 269982a_100000735658_100000700193 [0,0,0,2,0,0|2,0,0]=4 24070 B15R2.4591 C=CCCCCCN1C2CCC1CC2 34a_100000735658_100000700193 [0,0,0,2,0,0|2,0,0]=4 24071 B15R2.4591 C=CCCCCNC1C2CCC1CC2 34a_100000703577_100009813300 [0,0,0,2,0,0|2,0,0]=4 24072 B15R2.4591 C=CCCCCOC1C2CCC1CC2 34a_100000766645_100009813300 [0,0,0,2,0,0|2,0,0]=4 24073 B15R2.4591 C=CCCCCSC1C2CCC1CC2 62a_100009813300_100011215482 [0,0,0,2,0,0|2,0,0]=4 24074 B15R2.4591 C=CCCCCSC1C2CCC1CC2 62a_100011215482_100009813300 [0,0,0,2,0,0|2,0,0]=4 24075 B15R2.4591 O=CCCCCCN1C2CCC1CC2 2230a_100000735658_100000139337 [0,0,0,2,0,0|1,0,0]=3 24076 B15R2.4591 O=CCCCCCN1C2CCC1CC2 269982a_100000735658_100000139337 [0,0,0,2,0,0|1,0,0]=3 24077 B15R2.4591 O=CCCCCSC1C2CCC1CC2 62a_100000139335_100009813300 [0,0,0,2,0,0|1,0,0]=3 24078 B15R2.4591 O=CCCCCSC1C2CCC1CC2 62a_100009813300_100000139335 [0,0,0,2,0,0|1,0,0]=3 24079 B15R2.4853 CCN1C[C@H]2C[C@@H]1CN2CCCC=O 2230a_200016994038_200011292268 [0,0,0,2,0,0|2,0,0]=4 24080 B15R2.4853 CCN1C[C@H]2C[C@@H]1CN2CCCC=O 269982a_200016994038_200011292268 [0,0,0,2,0,0|2,0,0]=4 24081 B15R2.21 CCC1CCCCN1C2C=CCCC2 2230a_100000210034_100000751183 [0,0,0,2,0,0|2,0,0]=4 24082 B15R2.21 CCC1CCCCN1C2C=CCCC2 269982a_100000210034_100000751183 [0,0,0,2,0,0|2,0,0]=4 24083 B15R2.21 CNC1CCCCC1C2CCCCC2 2230a_200011339469_200000210301 [0,0,0,2,0,0|2,0,0]=4 24084 B15R2.21 CNC1CCCCC1C2CCCCC2 270004a_106832991635_100000210889 [0,0,0,2,0,0|2,0,0]=4 24085 B15R2.21 CNC1CCCCC1C2CCCCC2 34a_200011339469_200000210301 [0,0,0,2,0,0|2,0,0]=4 24086 B15R2.21 COC1CCCCC1C2CCCCC2 34a_100011217387_200000210301 [0,0,0,2,0,0|2,0,0]=4 24087 B15R2.21 COC1CCCCC1C2CCCCC2 7a_100011217387_200000210301 [0,0,0,2,0,0|2,0,0]=4 24088 B15R2.21 [13CH3]NC1CCCCC1C2CCCCC2 2230a_200011339469_200025704644 [0,0,0,2,0,0|2,0,0]=4 24089 B15R2.21 [13CH3]NC1CCCCC1C2CCCCC2 34a_200011339469_200025704644 [0,0,0,2,0,0|2,0,0]=4 24090 B15R2.21 [13CH3]OC1CCCCC1C2CCCCC2 34a_100011217387_200025704644 [0,0,0,2,0,0|2,0,0]=4 24091 B15R2.21 [13CH3]OC1CCCCC1C2CCCCC2 7a_100011217387_200025704644 [0,0,0,2,0,0|2,0,0]=4 24092 B15R2.38 CC1CCCCC1NC2C=CCCC2 2230a_100000211402_100000751183 [0,0,0,2,0,0|2,0,0]=4 24093 B15R2.38 CC1CCCCC1OC2C=CCCC2 7a_100000211207_100000751183 [0,0,0,2,0,0|2,0,0]=4 24094 B15R2.38 O=C1CCCCC1NC2CCCCC2 34a_100000182618_100000754470 [0,0,0,2,0,0|1,0,0]=3 24095 B15R2.38 O=C1CCCCC1NC2CCCOC2 34a_100000719290_100000754470 [0,0,0,2,0,0|2,0,0]=4 24096 B15R2.38 O=C1CCCCC1NC2CCOCC2 34a_100000741149_100000754470 [0,0,0,2,0,0|2,0,0]=4 24097 B15R2.38 O=C1CCCCC1NC2CCSCC2 34a_100000748639_100000754470 [0,0,0,2,0,0|2,0,0]=4 24098 B15R2.38 O=C1CCCCC1OC2CCCCC2 34a_100000210231_100000754470 [0,0,0,2,0,0|1,0,0]=3 24099 B15R2.38 O=C1CCCCC1OC2CCCCC2 34a_100011214950_100000210327 [0,0,0,2,0,0|1,0,0]=3 24100 B15R2.38 O=C1CCCCC1OC2CCCCC2 7a_100000210231_100000204591 [0,0,0,2,0,0|1,0,0]=3 24101 B15R2.38 O=C1CCCCC1OC2CCCCO2 34a_100000033831_100000754470 [0,0,0,2,0,0|2,0,0]=4 24102 B15R2.38 O=C1CCCCC1OC2CCCOC2 34a_100000754041_100000754470 [0,0,0,2,0,0|2,0,0]=4 24103 B15R2.38 O=C1CCCCC1OC2CCCOC2 34a_100011214950_100000693364 [0,0,0,2,0,0|2,0,0]=4 24104 B15R2.38 O=C1CCCCC1OC2CCCSC2 7a_100015962668_100000204591 [0,0,0,2,0,0|2,0,0]=4 24105 B15R2.38 O=C1CCCCC1OC2CCOCC2 34a_100000744328_100000754470 [0,0,0,2,0,0|2,0,0]=4 24106 B15R2.38 O=C1CCCCC1OC2CCSCC2 34a_100000731022_100000754470 [0,0,0,2,0,0|2,0,0]=4 24107 B15R2.38 O=C1CCCCC1OC2CCSCC2 34a_100011214950_100000069128 [0,0,0,2,0,0|2,0,0]=4 24108 B15R2.38 O=C1CCCCC1OC2CCSCC2 7a_100000731022_100000204591 [0,0,0,2,0,0|2,0,0]=4 24109 B15R2.38 O=C1CCCCC1SC2CCCCC2 62a_100000204591_100000210327 [0,0,0,2,0,0|1,0,0]=3 24110 B15R2.38 O=C1CCCCC1SC2CCCCC2 62a_100000210327_100000204591 [0,0,0,2,0,0|1,0,0]=3 24111 B15R2.38 O=C1CCCCC1SC2CCCOC2 62a_100000204591_100000693364 [0,0,0,2,0,0|2,0,0]=4 24112 B15R2.38 O=C1CCCCC1SC2CCOCC2 62a_100000204591_100011324220 [0,0,0,2,0,0|2,0,0]=4 24113 B15R2.38 O=C1CCCCC1SC2CCSCC2 62a_100000204591_100000069128 [0,0,0,2,0,0|2,0,0]=4 24114 B15R2.38 O=C1CCOCC1NC2CCCCC2 34a_100000182618_100012180262 [0,0,0,2,0,0|2,0,0]=4 24115 B15R2.38 O=C1CCOCC1OC2CCCCC2 34a_100000210231_100012180262 [0,0,0,2,0,0|2,0,0]=4 24116 B15R2.38 O=C1CCOCC1OC2CCCCC2 7a_100000210231_100012180262 [0,0,0,2,0,0|2,0,0]=4 24117 B15R2.38 O=C1CCOCC1SC2CCCCC2 62a_100000210327_100012180262 [0,0,0,2,0,0|2,0,0]=4 24118 B15R2.38 O=C1CCOCC1SC2CCCCC2 62a_100012180262_100000210327 [0,0,0,2,0,0|2,0,0]=4 24119 B15R2.38 O=C1NCCCC1NC2CCCCC2 2230a_100000182618_100000687798 [0,0,0,2,0,0|2,0,0]=4 24120 B15R2.38 O=C1NCCCC1NC2CCCCC2 270004a_100000747585_100000210434 [0,0,0,2,0,0|2,0,0]=4 24121 B15R2.38 O=C1NCCCC1NC2CCCCC2 34a_100000182618_100000687798 [0,0,0,2,0,0|2,0,0]=4 24122 B15R2.38 O=C1NCCCC1NC2CCCCC2 34a_100000747585_100000210327 [0,0,0,2,0,0|2,0,0]=4 24123 B15R2.38 O=C1NCCCC1OC2CCCCC2 34a_100000073722_100000210327 [0,0,0,2,0,0|2,0,0]=4 24124 B15R2.38 O=C1NCCCC1OC2CCCCC2 34a_100000210231_100000687798 [0,0,0,2,0,0|2,0,0]=4 24125 B15R2.38 O=C1NCCCC1OC2CCCCC2 7a_100000210231_100000687798 [0,0,0,2,0,0|2,0,0]=4 24126 B15R2.38 O=C1NCCCC1SC2CCCCC2 62a_100000210327_100000687798 [0,0,0,2,0,0|2,0,0]=4 24127 B15R2.38 O=C1NCCCC1SC2CCCCC2 62a_100000687798_100000210327 [0,0,0,2,0,0|2,0,0]=4 24128 B15R2.54 O=C1CCCCCC1N2CCCOC2 269982a_100000131196_100000243696 [0,0,0,2,0,0|2,0,0]=4 24129 B15R2.54 O=C1CCCCCC1N2CCOCC2 269982a_100015191051_100000243696 [0,0,0,2,0,0|2,0,0]=4 24130 B15R2.54 O=C1CCCCCC1N2CCSCC2 269982a_100000737611_100000243696 [0,0,0,2,0,0|2,0,0]=4 24131 B15R2.55 O=C1CCCC1NCC2CCCCC2 2230a_100000210473_100000211823 [0,0,0,2,0,0|1,0,0]=3 24132 B15R2.55 O=C1CCCC1NCC2CCCCC2 34a_100000210473_100000709159 [0,0,0,2,0,0|1,0,0]=3 24133 B15R2.55 O=C1CCCC1NCC2CCCCO2 2230a_100000174945_100000211823 [0,0,0,2,0,0|2,0,0]=4 24134 B15R2.55 O=C1CCCC1NCC2CCCCO2 34a_100000174945_100000709159 [0,0,0,2,0,0|2,0,0]=4 24135 B15R2.55 O=C1CCCC1NCC2CCCOC2 2230a_100000720124_100000211823 [0,0,0,2,0,0|2,0,0]=4 24136 B15R2.55 O=C1CCCC1NCC2CCCOC2 34a_100000720124_100000709159 [0,0,0,2,0,0|2,0,0]=4 24137 B15R2.55 O=C1CCCC1NCC2CCOCC2 2230a_100000746373_100000211823 [0,0,0,2,0,0|2,0,0]=4 24138 B15R2.55 O=C1CCCC1NCC2CCOCC2 34a_100000746373_100000709159 [0,0,0,2,0,0|2,0,0]=4 24139 B15R2.55 O=C1CCCC1NCC2CCSCC2 2230a_100015188806_100000211823 [0,0,0,2,0,0|2,0,0]=4 24140 B15R2.55 O=C1CCCC1NCC2CCSCC2 34a_100015188806_100000709159 [0,0,0,2,0,0|2,0,0]=4 24141 B15R2.55 O=C1CCCC1OCC2CCCCC2 34a_100000212181_100000709159 [0,0,0,2,0,0|1,0,0]=3 24142 B15R2.55 O=C1CCCC1OCC2CCCCC2 34a_200000719330_100000211423 [0,0,0,2,0,0|1,0,0]=3 24143 B15R2.55 O=C1CCCC1OCC2CCCCC2 7a_100000212181_100000211823 [0,0,0,2,0,0|1,0,0]=3 24144 B15R2.55 O=C1CCCC1OCC2CCCCN2 34a_100000210821_100000709159 [0,0,0,2,0,0|2,0,0]=4 24145 B15R2.55 O=C1CCCC1OCC2CCCCO2 34a_100000211370_100000709159 [0,0,0,2,0,0|2,0,0]=4 24146 B15R2.55 O=C1CCCC1OCC2CCCCO2 34a_200000719330_100000211543 [0,0,0,2,0,0|2,0,0]=4 24147 B15R2.55 O=C1CCCC1OCC2CCCCO2 7a_100000211370_100000211823 [0,0,0,2,0,0|2,0,0]=4 24148 B15R2.55 O=C1CCCC1OCC2CCCNC2 34a_100000211344_100000709159 [0,0,0,2,0,0|2,0,0]=4 24149 B15R2.55 O=C1CCCC1OCC2CCCOC2 34a_100000741520_100000709159 [0,0,0,2,0,0|2,0,0]=4 24150 B15R2.55 O=C1CCCC1OCC2CCCOC2 34a_200000719330_100000741521 [0,0,0,2,0,0|2,0,0]=4 24151 B15R2.55 O=C1CCCC1OCC2CCNCC2 34a_100000738675_100000709159 [0,0,0,2,0,0|2,0,0]=4 24152 B15R2.55 O=C1CCCC1OCC2CCOCC2 34a_100000749013_100000709159 [0,0,0,2,0,0|2,0,0]=4 24153 B15R2.55 O=C1CCCC1OCC2CCOCC2 34a_200000719330_100000754603 [0,0,0,2,0,0|2,0,0]=4 24154 B15R2.55 O=C1CCCC1OCC2CCSCC2 34a_100000070558_100000709159 [0,0,0,2,0,0|2,0,0]=4 24155 B15R2.55 O=C1CCCC1OCC2CCSCC2 7a_100000070558_100000211823 [0,0,0,2,0,0|2,0,0]=4 24156 B15R2.55 O=C1CCCC1SCC2CCCCC2 62a_100000211423_100000211823 [0,0,0,2,0,0|1,0,0]=3 24157 B15R2.55 O=C1CCCC1SCC2CCCCC2 62a_100000211823_100000211423 [0,0,0,2,0,0|1,0,0]=3 24158 B15R2.55 O=C1CCCC1SCC2CCCCO2 62a_100000211543_100000211823 [0,0,0,2,0,0|2,0,0]=4 24159 B15R2.55 O=C1CCCC1SCC2CCCCO2 62a_100000211823_100000211543 [0,0,0,2,0,0|2,0,0]=4 24160 B15R2.55 O=C1CCCC1SCC2CCCOC2 62a_100000211823_100000741521 [0,0,0,2,0,0|2,0,0]=4 24161 B15R2.55 O=C1CCCC1SCC2CCCOC2 62a_100000741521_100000211823 [0,0,0,2,0,0|2,0,0]=4 24162 B15R2.55 O=C1CCCC1SCC2CCOCC2 62a_100000211823_100000749018 [0,0,0,2,0,0|2,0,0]=4 24163 B15R2.55 O=C1CCCC1SCC2CCOCC2 62a_100000754603_100000211823 [0,0,0,2,0,0|2,0,0]=4 24164 B15R2.55 O=C1CCCN1CSC2CCCCC2 62a_100000026320_100000210327 [0,0,0,2,0,0|2,0,0]=4 24165 B15R2.55 O=C1CCCN1CSC2CCCCC2 62a_100000210327_100000026320 [0,0,0,2,0,0|2,0,0]=4 24166 B15R2.55 O=C1NCCC1COC2CCCCC2 34a_100000133458_100000210327 [0,0,0,2,0,0|2,0,0]=4 24167 B15R2.55 O=C1NCCC1NCC2CCCCC2 2230a_100016995588_100000211423 [0,0,0,2,0,0|2,0,0]=4 24168 B15R2.55 O=C1NCCC1NCC2CCCCC2 34a_100016995588_100000211423 [0,0,0,2,0,0|2,0,0]=4 24169 B15R2.55 O=C1NCC[C@@H]1OCC2CCCCC2 34a_100000688343_100000211423 [0,0,0,2,0,0|2,0,0]=4 24170 B15R2.55 O=C1OCCC1NCC2CCCCC2 2230a_100000210473_100000211211 [0,0,0,2,0,0|2,0,0]=4 24171 B15R2.55 O=C1OCCC1NCC2CCCCC2 34a_100000210473_100000211211 [0,0,0,2,0,0|2,0,0]=4 24172 B15R2.55 O=C1OCCC1OCC2CCCCC2 34a_100000212181_100000211211 [0,0,0,2,0,0|2,0,0]=4 24173 B15R2.55 O=C1OCCC1OCC2CCCCC2 7a_100000212181_100000211211 [0,0,0,2,0,0|2,0,0]=4 24174 B15R2.55 O=C1OCCC1SCC2CCCCC2 62a_100000211211_100000211423 [0,0,0,2,0,0|2,0,0]=4 24175 B15R2.55 O=C1OCCC1SCC2CCCCC2 62a_100000211423_100000211211 [0,0,0,2,0,0|2,0,0]=4 24176 B15R2.72 C=CCN1CCCC1C2CCCCC2 2230a_100011206067_100000210623 [0,0,0,2,0,0|2,0,0]=4 24177 B15R2.72 C=CCN1CCCC1C2CCCCC2 269982a_100011206067_100000210623 [0,0,0,2,0,0|2,0,0]=4 24178 B15R2.72 C=CCN1CCCC1C2CCCCC2 34a_100011206067_100015514636 [0,0,0,2,0,0|2,0,0]=4 24179 B15R2.72 O=CCN1CCCC1C2CCCCC2 2230a_100011206067_200015260668 [0,0,0,2,0,0|1,0,0]=3 24180 B15R2.72 O=CCN1CCCC1C2CCCCC2 269982a_100011206067_200015260668 [0,0,0,2,0,0|1,0,0]=3 24181 B15R2.72 O=CCN1CCCC1C2CCCCC2 34a_100011206067_200009817547 [0,0,0,2,0,0|1,0,0]=3 24182 B15R2.342 O=C1CCC1CCNC2CCCCC2 2230a_100000182618_200016118888 [0,0,0,2,0,0|1,0,0]=3 24183 B15R2.342 O=C1CCC1CCNC2CCCOC2 2230a_100000719290_200016118888 [0,0,0,2,0,0|2,0,0]=4 24184 B15R2.342 O=C1CCC1CCNC2CCOCC2 2230a_100000741149_200016118888 [0,0,0,2,0,0|2,0,0]=4 24185 B15R2.342 O=C1CCC1CCNC2CCSCC2 2230a_100000748639_200016118888 [0,0,0,2,0,0|2,0,0]=4 24186 B15R2.342 O=C1CCC1CCOC2CCCCC2 7a_100000210231_200016118888 [0,0,0,2,0,0|1,0,0]=3 24187 B15R2.342 O=C1CCC1CCOC2CCCSC2 7a_100015962668_200016118888 [0,0,0,2,0,0|2,0,0]=4 24188 B15R2.342 O=C1CCC1CCOC2CCSCC2 7a_100000731022_200016118888 [0,0,0,2,0,0|2,0,0]=4 24189 B15R2.342 O=C1CCC1CCSC2CCCCC2 62a_100000210327_200016118888 [0,0,0,2,0,0|1,0,0]=3 24190 B15R2.342 O=C1CCC1CCSC2CCCCC2 62a_200016118888_100000210327 [0,0,0,2,0,0|1,0,0]=3 24191 B15R2.342 O=C1CCC1CCSC2CCCOC2 62a_200016118888_100000693364 [0,0,0,2,0,0|2,0,0]=4 24192 B15R2.342 O=C1CCC1CCSC2CCOCC2 62a_200016118888_100011324220 [0,0,0,2,0,0|2,0,0]=4 24193 B15R2.342 O=C1CCC1CCSC2CCSCC2 62a_200016118888_100000069128 [0,0,0,2,0,0|2,0,0]=4 24194 B15R2.342 O=C1CCC1NCCC2CCCCC2 34a_100000738074_100009892977 [0,0,0,2,0,0|1,0,0]=3 24195 B15R2.342 O=C1CCC1NCCC2CCCCO2 34a_100015183643_100009892977 [0,0,0,2,0,0|2,0,0]=4 24196 B15R2.342 O=C1CCC1NCCC2CCOCC2 34a_100000755988_100009892977 [0,0,0,2,0,0|2,0,0]=4 24197 B15R2.342 O=C1CCC1OCCC2CCCCC2 34a_100011217863_100009892977 [0,0,0,2,0,0|1,0,0]=3 24198 B15R2.342 O=C1CCC1OCCC2CCCCC2 7a_100011217863_100009892977 [0,0,0,2,0,0|1,0,0]=3 24199 B15R2.342 O=C1CCC1OCCC2CCCCN2 34a_100000211664_100009892977 [0,0,0,2,0,0|2,0,0]=4 24200 B15R2.342 O=C1CCC1OCCC2CCCNC2 34a_100000752241_100009892977 [0,0,0,2,0,0|2,0,0]=4 24201 B15R2.342 O=C1CCC1OCCC2CCNCC2 34a_100015190746_100009892977 [0,0,0,2,0,0|2,0,0]=4 24202 B15R2.342 O=C1CCC1OCCC2CCOCC2 34a_100011933979_100009892977 [0,0,0,2,0,0|2,0,0]=4 24203 B15R2.342 O=C1CCC1OCCC2CCOCC2 7a_100011933979_100009892977 [0,0,0,2,0,0|2,0,0]=4 24204 B15R2.342 O=C1CCC1SCCC2CCCCC2 62a_100009892977_100012355289 [0,0,0,2,0,0|1,0,0]=3 24205 B15R2.342 O=C1CCC1SCCC2CCCCC2 62a_100012355289_100009892977 [0,0,0,2,0,0|1,0,0]=3 24206 B15R2.342 O=C1CCC1SCCC2CCOCC2 62a_100009892977_100011934994 [0,0,0,2,0,0|2,0,0]=4 24207 B15R2.342 O=C1CCC1SCCC2CCOCC2 62a_100011934994_100009892977 [0,0,0,2,0,0|2,0,0]=4 24208 B15R2.342 O=C1CCC1SCCN2CCCCC2 62a_100000739454_100009892977 [0,0,0,2,0,0|2,0,0]=4 24209 B15R2.342 O=C1CCC1SCCN2CCCCC2 62a_100009892977_100000739454 [0,0,0,2,0,0|2,0,0]=4 24210 B15R2.342 O=C1CCC1SCOC2CCCCC2 62a_100009892977_100011935260 [0,0,0,2,0,0|2,0,0]=4 24211 B15R2.342 O=C1CCC1SCOC2CCCCC2 62a_100011935260_100009892977 [0,0,0,2,0,0|2,0,0]=4 24212 B15R2.1623 C=CCCNCC1CC12CCCCC2 2230a_100015185624_100000754431 [0,0,0,2,0,0|2,0,0]=4 24213 B15R2.1623 C=CCCNCC1CC12CCCCC2 34a_100015185624_100000754431 [0,0,0,2,0,0|2,0,0]=4 24214 B15R2.2167 C1=CC(CCC1)NC2CCCCCC2 2230a_100000210984_100000751183 [0,0,0,2,0,0|2,0,0]=4 24215 B15R2.2167 C1=CC(CCC1)OC2CCCCCC2 34a_100011215024_100011217769 [0,0,0,2,0,0|2,0,0]=4 24216 B15R2.2167 C1=CC(CCC1)OC2CCCCCC2 7a_100000210887_100000751183 [0,0,0,2,0,0|2,0,0]=4 24217 B15R2.2167 C1=CC(CCC1)SC2CCCCCC2 62a_100000751183_100011217769 [0,0,0,2,0,0|2,0,0]=4 24218 B15R2.2167 C1=CC(CCC1)SC2CCCCCC2 62a_100011217769_100000751183 [0,0,0,2,0,0|2,0,0]=4 24219 B15R2.2169 C1=CC(CCC1)N2CCCCCCC2 2230a_100000211400_100000751183 [0,0,0,2,0,0|2,0,0]=4 24220 B15R2.2169 C1=CC(CCC1)N2CCCCCCC2 269982a_100000211400_100000751183 [0,0,0,2,0,0|2,0,0]=4 24221 B15R2.2195 C1=CC(CCC1)NCC2CCCCC2 2230a_100000210473_100000751183 [0,0,0,2,0,0|2,0,0]=4 24222 B15R2.2195 C1=CC(CCC1)OCC2CCCCC2 34a_100011215024_100000211423 [0,0,0,2,0,0|2,0,0]=4 24223 B15R2.2195 C1=CC(CCC1)OCC2CCCCC2 7a_100000212181_100000751183 [0,0,0,2,0,0|2,0,0]=4 24224 B15R2.2195 C1=CC(CCC1)SCC2CCCCC2 62a_100000211423_100000751183 [0,0,0,2,0,0|2,0,0]=4 24225 B15R2.2195 C1=CC(CCC1)SCC2CCCCC2 62a_100000751183_100000211423 [0,0,0,2,0,0|2,0,0]=4 24226 B15R2.3297 O=CCCCN1CCN2CCC1CC2 269982a_100000027273_200011292268 [0,0,0,2,0,0|2,0,0]=4 24227 B15R2.3312 C=CCCCCCCN1CC2CC2C1 2230a_100000741873_100011215473 [0,0,0,2,0,0|2,0,0]=4 24228 B15R2.3312 C=CCCCCCCN1CC2CC2C1 269982a_100000741873_100011215473 [0,0,0,2,0,0|2,0,0]=4 24229 B15R2.3312 C=CCCCCCCN1CC2CC2C1 34a_100000741873_100011215473 [0,0,0,2,0,0|2,0,0]=4 24230 B15R2.16687 C=CCCCCN1CC2CCC1CC2 2230a_100000750499_100011215482 [0,0,0,2,0,0|2,0,0]=4 24231 B15R2.16687 C=CCCCCN1CC2CCC1CC2 269982a_100000750499_100011215482 [0,0,0,2,0,0|2,0,0]=4 24232 B15R2.16687 C=CCCCCN1CC2CCC1CC2 34a_100000750499_100011215482 [0,0,0,2,0,0|2,0,0]=4 24233 B15R2.16687 CCCCNCC1CC2C=CC1CC2 269862a_100000102301_100010619355 [0,0,0,2,0,0|2,0,0]=4 24234 B15R2.16687 O=CCCCCN1CC2CCC1CC2 2230a_100000750499_100000139335 [0,0,0,2,0,0|1,0,0]=3 24235 B15R2.16687 O=CCCCCN1CC2CCC1CC2 269982a_100000750499_100000139335 [0,0,0,2,0,0|1,0,0]=3 24236 B15R2.16687 O=CCCCN[C@H]1CN2CCC1CC2 2230a_100016987387_200011292268 [0,0,0,2,0,0|2,0,0]=4 24237 B15R2.18471 C=CCCN1CCCC2C1CCCC2 2230a_100000211887_100000754431 [0,0,0,2,0,0|2,0,0]=4 24238 B15R2.18471 C=CCCN1CCCC2C1CCCC2 269982a_100000211887_100000754431 [0,0,0,2,0,0|2,0,0]=4 24239 B15R2.18471 C=CCCN1CCCC2C1CCCC2 34a_100000211887_100000754431 [0,0,0,2,0,0|2,0,0]=4 24240 B15R2.18471 C=CCOC1CCCC2C1CCCC2 34a_100000042559_100015514636 [0,0,0,2,0,0|2,0,0]=4 24241 B15R2.18471 C=CCOC1CCCC2C1CCCC2 7a_100000042559_100015514636 [0,0,0,2,0,0|2,0,0]=4 24242 B15R2.18471 O=CCOC1CCCC2C1CCCC2 34a_100000042559_200009817547 [0,0,0,2,0,0|1,0,0]=3 24243 B15R2.18471 O=CCOC1CCCC2C1CCCC2 7a_100000042559_200015260668 [0,0,0,2,0,0|1,0,0]=3 24244 B15R2.39564 C=CCCCCCOC1CCC2C1C2 34a_200012295571_100000700193 [0,0,0,2,0,0|2,0,0]=4 24245 B15R2.981 CC1CC1COC2CCCCCC2=O 7a_100000744939_100000243696 [0,0,0,2,0,0|1,0,0]=3 24246 B15R2.981 CC1CC1COC2CCCCNC2=O 7a_100000744939_100000735217 [0,0,0,2,0,0|2,0,0]=4 24247 B15R2.982 CC1SCCN1C2CCCCCC2=O 269982a_200011216479_100000243696 [0,0,0,2,0,0|2,0,0]=4 24248 B15R2.982 C[C@@H]1CCCN1C2CCCCCC2=O 269982a_100015189458_100000243696 [0,0,0,2,0,0|1,0,0]=3 24249 B15R2.982 C[C@@H]1CCCN1C2CCCCNC2=O 2230a_100015189458_100000735217 [0,0,0,2,0,0|2,0,0]=4 24250 B15R2.982 C[C@@H]1CCCN1C2CCCCNC2=O 269982a_100015189458_100000735217 [0,0,0,2,0,0|2,0,0]=4 24251 B15R2.982 C[C@H]1CCCN1C2CCCCCC2=O 269982a_100020605311_100000243696 [0,0,0,2,0,0|1,0,0]=3 24252 B15R2.982 C[C@H]1CCCN1C2CCCCNC2=O 2230a_100020605311_100000735217 [0,0,0,2,0,0|2,0,0]=4 24253 B15R2.982 C[C@H]1CCCN1C2CCCCNC2=O 269982a_100020605311_100000735217 [0,0,0,2,0,0|2,0,0]=4 24254 B15R2.13828 O=C1CCCCCC1OCCC2CC2 7a_100000754188_100000243696 [0,0,0,2,0,0|1,0,0]=3 24255 B15R2.13828 O=C1CCCCCC1SCCC2CC2 62a_100000243696_100000764125 [0,0,0,2,0,0|1,0,0]=3 24256 B15R2.13828 O=C1CCCCCC1SCCC2CC2 62a_100000764125_100000243696 [0,0,0,2,0,0|1,0,0]=3 24257 B15R2.13828 O=C1CCCCCC1SCCC2CO2 62a_100000243696_100000732470 [0,0,0,2,0,0|2,0,0]=4 24258 B15R2.13828 O=C1CCCCCC1SCCC2CO2 62a_100000732470_100000243696 [0,0,0,2,0,0|2,0,0]=4 24259 B15R2.13828 O=C1NCCCCC1NCCC2CC2 2230a_100000698827_100000694398 [0,0,0,2,0,0|2,0,0]=4 24260 B15R2.13828 O=C1NCCCCC1NCCC2CC2 34a_100000698827_100000694398 [0,0,0,2,0,0|2,0,0]=4 24261 B15R2.13828 O=C1NCCCCC1OCCC2CC2 7a_100000754188_100000735217 [0,0,0,2,0,0|2,0,0]=4 24262 B15R2.13828 O=C1NCCCCC1SCCC2CC2 62a_100000735217_100000764125 [0,0,0,2,0,0|2,0,0]=4 24263 B15R2.13828 O=C1NCCCCC1SCCC2CC2 62a_100000764125_100000735217 [0,0,0,2,0,0|2,0,0]=4 24264 B15R2.13829 O=C1CCCCCC1SCC2CCC2 62a_100000243696_100000763275 [0,0,0,2,0,0|1,0,0]=3 24265 B15R2.13829 O=C1CCCCCC1SCC2CCC2 62a_100000763275_100000243696 [0,0,0,2,0,0|1,0,0]=3 24266 B15R2.13829 O=C1CCCCCC1SCC2CCO2 62a_100000103362_100000243696 [0,0,0,2,0,0|2,0,0]=4 24267 B15R2.13829 O=C1CCCCCC1SCC2CCO2 62a_100000243696_100000103362 [0,0,0,2,0,0|2,0,0]=4 24268 B15R2.13829 O=C1CCCCCC1SCC2COC2 62a_100000243696_100010264016 [0,0,0,2,0,0|2,0,0]=4 24269 B15R2.13829 O=C1CCCCCC1SCC2COC2 62a_100010264016_100000243696 [0,0,0,2,0,0|2,0,0]=4 24270 B15R2.13829 O=C1NCCCCC1NCC2CCC2 2230a_100000698827_100000763275 [0,0,0,2,0,0|2,0,0]=4 24271 B15R2.13829 O=C1NCCCCC1NCC2CCC2 2230a_100000738700_100000735217 [0,0,0,2,0,0|2,0,0]=4 24272 B15R2.13829 O=C1NCCCCC1NCC2CCC2 269862a_100000698827_100000753134 [0,0,0,2,0,0|2,0,0]=4 24273 B15R2.13829 O=C1NCCCCC1NCC2CCC2 34a_100000698827_100000763275 [0,0,0,2,0,0|2,0,0]=4 24274 B15R2.13829 O=C1NCCCCC1SCC2CCC2 62a_100000735217_100000763275 [0,0,0,2,0,0|2,0,0]=4 24275 B15R2.13829 O=C1NCCCCC1SCC2CCC2 62a_100000763275_100000735217 [0,0,0,2,0,0|2,0,0]=4 24276 B15R2.359 CC1CCCC1OC2CCCCC2=O 34a_100011216460_100000754470 [0,0,0,2,0,0|1,0,0]=3 24277 B15R2.359 CC1CCCC1OC2CCCCC2=O 7a_100011216460_100000204591 [0,0,0,2,0,0|1,0,0]=3 24278 B15R2.359 CC1CCCC1OC2CCCNC2=O 34a_100011216460_100000687798 [0,0,0,2,0,0|2,0,0]=4 24279 B15R2.359 CC1CCCC1OC2CCCNC2=O 7a_100011216460_100000687798 [0,0,0,2,0,0|2,0,0]=4 24280 B15R2.359 CC1CCCC1OC2COCCC2=O 34a_100011216460_100012180262 [0,0,0,2,0,0|2,0,0]=4 24281 B15R2.359 CC1CCCC1OC2COCCC2=O 7a_100011216460_100012180262 [0,0,0,2,0,0|2,0,0]=4 24282 B15R2.359 CC1CCCCC1NC2CCCC2=O 2230a_100000211402_100000211823 [0,0,0,2,0,0|1,0,0]=3 24283 B15R2.359 CC1CCCCC1NC2CCCC2=O 34a_100000211402_100000709159 [0,0,0,2,0,0|1,0,0]=3 24284 B15R2.359 CC1CCCCC1NC2CCNC2=O 270004a_100016995588_100000210921 [0,0,0,2,0,0|2,0,0]=4 24285 B15R2.359 CC1CCCCC1NC2CCOC2=O 2230a_100000211402_100000211211 [0,0,0,2,0,0|2,0,0]=4 24286 B15R2.359 CC1CCCCC1NC2CCOC2=O 34a_100000211402_100000211211 [0,0,0,2,0,0|2,0,0]=4 24287 B15R2.359 CC1CCCCC1OC2CCCC2=O 34a_100000211207_100000709159 [0,0,0,2,0,0|1,0,0]=3 24288 B15R2.359 CC1CCCCC1OC2CCCC2=O 7a_100000211207_100000211823 [0,0,0,2,0,0|1,0,0]=3 24289 B15R2.359 CC1CCCCC1OC2CCOC2=O 34a_100000211207_100000211211 [0,0,0,2,0,0|2,0,0]=4 24290 B15R2.359 CC1CCCCC1OC2CCOC2=O 7a_100000211207_100000211211 [0,0,0,2,0,0|2,0,0]=4 24291 B15R2.359 CC1CCCCN1CN2CCCC2=O 269982a_100000211376_100000026320 [0,0,0,2,0,0|2,0,0]=4 24292 B15R2.359 CC1CCNCC1OC2CCCC2=O 34a_100000696640_100000709159 [0,0,0,2,0,0|2,0,0]=4 24293 B15R2.359 CC1CNCCC1OC2CCCC2=O 34a_100011998114_100000709159 [0,0,0,2,0,0|2,0,0]=4 24294 B15R2.359 C[C@@H]1CNC[C@@H]1OC2CCCCC2=O 34a_200015306588_100000754470 [0,0,0,2,0,0|2,0,0]=4 24295 B15R2.359 N[C@@H]1CCCC[C@@H]1OC2CCCC2=O 34a_100015191688_100000709159 [0,0,0,2,0,0|2,0,0]=4 24296 B15R2.359 N[C@H]1CCC[C@@H]1OC2CCCCC2=O 34a_100000748460_100000754470 [0,0,0,2,0,0|2,0,0]=4 24297 B15R2.359 O=C1CCCC1N[C@@H]2CCCC[C@H]2F 2230a_100015195156_100000211823 [0,0,0,2,0,0|2,0,0]=4 24298 B15R2.359 O=C1CCCC1N[C@@H]2CCCC[C@H]2F 34a_100015195156_100000709159 [0,0,0,2,0,0|2,0,0]=4 24299 B15R2.359 O=C1CCCC1OC2CCCCC2Cl 34a_100000038908_100000709159 [0,0,0,2,0,0|2,0,0]=4 24300 B15R2.359 O=C1CCCC1OC2CCCCC2Cl 7a_100000038908_100000211823 [0,0,0,2,0,0|2,0,0]=4 24301 B15R2.359 O=C1CCCC1OC2CCCCC2F 34a_200000719330_100015423560 [0,0,0,2,0,0|2,0,0]=4 24302 B15R2.359 O=C1CCCC1OC2CCCCC2O 34a_200000719330_100000038908 [0,0,0,2,0,0|2,0,0]=4 24303 B15R2.359 O=C1CCCC1O[C@@H]2CCCC[C@H]2F 34a_100009816020_100000709159 [0,0,0,2,0,0|2,0,0]=4 24304 B15R2.359 O=C1CCCC1O[C@@H]2CCCC[C@H]2F 7a_100009816020_100000211823 [0,0,0,2,0,0|2,0,0]=4 24305 B15R2.359 O=C1CCCC1SC2CCCCC2F 62a_100000211823_100015423560 [0,0,0,2,0,0|2,0,0]=4 24306 B15R2.359 O=C1CCCC1SC2CCCCC2F 62a_100015423560_100000211823 [0,0,0,2,0,0|2,0,0]=4 24307 B15R2.359 O=C1CCCC1SC2CCCCC2O 62a_100000038908_100000211823 [0,0,0,2,0,0|2,0,0]=4 24308 B15R2.359 O=C1CCCC1SC2CCCCC2O 62a_100000211823_100000038908 [0,0,0,2,0,0|2,0,0]=4 24309 B15R2.359 O=C1CCCCC1O[C@@H]2CCC[C@H]2Cl 34a_200016002552_100000754470 [0,0,0,2,0,0|2,0,0]=4 24310 B15R2.359 O=C1CCCCC1S[C@@H]2CCC[C@H]2O 62a_100000204591_200016002552 [0,0,0,2,0,0|2,0,0]=4 24311 B15R2.359 O=C1CCCCC1S[C@@H]2CCC[C@H]2O 62a_200016002552_100000204591 [0,0,0,2,0,0|2,0,0]=4 24312 B15R2.411 CN1CCCC1COC2CCCC2=O 34a_100000743107_100000709159 [0,0,0,2,0,0|2,0,0]=4 24313 B15R2.411 C[C@@H]1CCCN1CCN2CCCC2=O 2230a_100015189458_100000739059 [0,0,0,2,0,0|2,0,0]=4 24314 B15R2.411 C[C@@H]1CCCN1CCN2CCCC2=O 269982a_100015189458_100000739059 [0,0,0,2,0,0|2,0,0]=4 24315 B15R2.411 C[C@@H]1CCCN1CCN2CCCC2=O 34a_100015189458_100000739059 [0,0,0,2,0,0|2,0,0]=4 24316 B15R2.411 C[C@H]1CCCN1CCN2CCCC2=O 2230a_100020605311_100000739059 [0,0,0,2,0,0|2,0,0]=4 24317 B15R2.411 C[C@H]1CCCN1CCN2CCCC2=O 269982a_100020605311_100000739059 [0,0,0,2,0,0|2,0,0]=4 24318 B15R2.522 CC1CCCC1OCCC2CCC2=O 7a_100011216460_200016118888 [0,0,0,2,0,0|1,0,0]=3 24319 B15R2.522 CN1CCCC1CCOC2CCC2=O 34a_100011215177_100009892977 [0,0,0,2,0,0|2,0,0]=4 24320 B15R2.522 CN1CCCC1CCOC2CCC2=O 7a_100011215177_100009892977 [0,0,0,2,0,0|2,0,0]=4 24321 B15R2.522 CN1CCCC1CCSC2CCC2=O 62a_100000005710_100009892977 [0,0,0,2,0,0|2,0,0]=4 24322 B15R2.522 CN1CCCC1CCSC2CCC2=O 62a_100009892977_100000005710 [0,0,0,2,0,0|2,0,0]=4 24323 B15R2.522 O=C1CCC1CCS[C@@H]2CCC[C@H]2O 62a_200016002552_200016118888 [0,0,0,2,0,0|2,0,0]=4 24324 B15R2.522 O=C1CCC1CCS[C@@H]2CCC[C@H]2O 62a_200016118888_200016002552 [0,0,0,2,0,0|2,0,0]=4 24325 B15R2.997 CC1CC1COCCN2CCCC2=O 34a_100000744939_100000739059 [0,0,0,2,0,0|2,0,0]=4 24326 B15R2.997 CC1CC1COCCN2CCCC2=O 7a_100000744939_100000739059 [0,0,0,2,0,0|2,0,0]=4 24327 B15R2.1292 C=CCCCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100011215482 [0,0,0,2,0,0|2,0,0]=4 24328 B15R2.1292 C=CCCCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100011215482 [0,0,0,2,0,0|2,0,0]=4 24329 B15R2.1292 C=CCCCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100011215482 [0,0,0,2,0,0|2,0,0]=4 24330 B15R2.1292 O=CCCCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000139335 [0,0,0,2,0,0|1,0,0]=3 24331 B15R2.1292 O=CCCCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000139335 [0,0,0,2,0,0|1,0,0]=3 24332 B15R2.1292 O=CCCCCN1C[C@H]2COC[C@H]2C1 2230a_100000700037_100000139335 [0,0,0,2,0,0|2,0,0]=4 24333 B15R2.1292 O=CCCCCN1C[C@H]2COC[C@H]2C1 269982a_100000700037_100000139335 [0,0,0,2,0,0|2,0,0]=4 24334 B15R2.1321 COC[C@@H]1CCCN1C2CCCC2=O 2230a_100020646714_100000211823 [0,0,0,2,0,0|2,0,0]=4 24335 B15R2.1321 COC[C@@H]1CCCN1C2CCCC2=O 269982a_100020646714_100000211823 [0,0,0,2,0,0|2,0,0]=4 24336 B15R2.1321 COC[C@@H]1CCCN1C2CCCC2=O 34a_100020646714_100000709159 [0,0,0,2,0,0|2,0,0]=4 24337 B15R2.2302 CCC1CCCCN1C2CCCC2=O 2230a_100000210034_100000211823 [0,0,0,2,0,0|1,0,0]=3 24338 B15R2.2302 CCC1CCCCN1C2CCCC2=O 269982a_100000210034_100000211823 [0,0,0,2,0,0|1,0,0]=3 24339 B15R2.2302 CCC1CCCCN1C2CCCC2=O 34a_100000210034_100000709159 [0,0,0,2,0,0|1,0,0]=3 24340 B15R2.2302 CCC1CCCCN1C2CCOC2=O 2230a_100000210034_100000211211 [0,0,0,2,0,0|2,0,0]=4 24341 B15R2.2302 CCC1CCCCN1C2CCOC2=O 269982a_100000210034_100000211211 [0,0,0,2,0,0|2,0,0]=4 24342 B15R2.2302 CCC1CCCCN1C2CCOC2=O 34a_100000210034_100000211211 [0,0,0,2,0,0|2,0,0]=4 24343 B15R2.2302 CC[C@H]1COCCN1C2CCCC2=O 2230a_100016988097_100000211823 [0,0,0,2,0,0|2,0,0]=4 24344 B15R2.2302 CC[C@H]1COCCN1C2CCCC2=O 269982a_100016988097_100000211823 [0,0,0,2,0,0|2,0,0]=4 24345 B15R2.2302 CC[C@H]1COCCN1C2CCCC2=O 34a_100016988097_100000709159 [0,0,0,2,0,0|2,0,0]=4 24346 B15R2.2302 O=C1CCCC1N2CCCCC2CO 2230a_100000210821_100000211823 [0,0,0,2,0,0|2,0,0]=4 24347 B15R2.2302 O=C1CCCC1N2CCCCC2CO 269982a_100000210821_100000211823 [0,0,0,2,0,0|2,0,0]=4 24348 B15R2.2302 O=C1CCCC1N2CCCCC2CO 34a_100000210821_100000709159 [0,0,0,2,0,0|2,0,0]=4 24349 B15R2.7653 O=C1CCCN1CCCNCC2CC2 2230a_100000210347_100000742324 [0,0,0,2,0,0|2,0,0]=4 24350 B15R2.7653 O=C1CCCN1CCCNCC2CC2 269862a_100000210347_100000741477 [0,0,0,2,0,0|2,0,0]=4 24351 B15R2.7653 O=C1CCCN1CCCNCC2CC2 34a_100000210347_100000742324 [0,0,0,2,0,0|2,0,0]=4 24352 B15R2.7653 O=C1CCCN1CCCOCC2CC2 34a_100011216539_100000742324 [0,0,0,2,0,0|2,0,0]=4 24353 B15R2.7653 O=C1CCCN1CCCOCC2CC2 7a_100011216539_100000742324 [0,0,0,2,0,0|2,0,0]=4 24354 B15R2.7653 O=C1CCCN1CCNCCC2CC2 2230a_100011200922_100000694398 [0,0,0,2,0,0|2,0,0]=4 24355 B15R2.7653 O=C1CCCN1CCNCCC2CC2 34a_100000764129_100000739059 [0,0,0,2,0,0|2,0,0]=4 24356 B15R2.7653 O=C1CCCN1CCOCCC2CC2 34a_100000211209_100000694398 [0,0,0,2,0,0|2,0,0]=4 24357 B15R2.7653 O=C1CCCN1CCOCCC2CC2 34a_100000754188_100000739059 [0,0,0,2,0,0|2,0,0]=4 24358 B15R2.7653 O=C1CCCN1CCOCCC2CC2 7a_100000211209_100000764125 [0,0,0,2,0,0|2,0,0]=4 24359 B15R2.7653 O=C1CCCN1CCOCCC2CC2 7a_100000754188_100000739059 [0,0,0,2,0,0|2,0,0]=4 24360 B15R2.7653 O=C1CCCN1CCSCCC2CC2 62a_100000739059_100000764125 [0,0,0,2,0,0|2,0,0]=4 24361 B15R2.7653 O=C1CCCN1CCSCCC2CC2 62a_100000764125_100000739059 [0,0,0,2,0,0|2,0,0]=4 24362 B15R2.8453 O=C1CCCC1N2CCCCCCC2 2230a_100000211400_100000211823 [0,0,0,2,0,0|1,0,0]=3 24363 B15R2.8453 O=C1CCCC1N2CCCCCCC2 269982a_100000211400_100000211823 [0,0,0,2,0,0|1,0,0]=3 24364 B15R2.8453 O=C1CCCC1N2CCCCCCC2 34a_100000211400_100000709159 [0,0,0,2,0,0|1,0,0]=3 24365 B15R2.8453 O=C1OCCC1N2CCCCCCC2 2230a_100000211400_100000211211 [0,0,0,2,0,0|2,0,0]=4 24366 B15R2.8453 O=C1OCCC1N2CCCCCCC2 269982a_100000211400_100000211211 [0,0,0,2,0,0|2,0,0]=4 24367 B15R2.8453 O=C1OCCC1N2CCCCCCC2 34a_100000211400_100000211211 [0,0,0,2,0,0|2,0,0]=4 24368 B15R2.13884 O=C1CCCC1NC2CCCCCC2 2230a_100000210984_100000211823 [0,0,0,2,0,0|1,0,0]=3 24369 B15R2.13884 O=C1CCCC1NC2CCCCCC2 34a_100000210984_100000709159 [0,0,0,2,0,0|1,0,0]=3 24370 B15R2.13884 O=C1CCCC1OC2CCCCCC2 34a_100000210887_100000709159 [0,0,0,2,0,0|1,0,0]=3 24371 B15R2.13884 O=C1CCCC1OC2CCCCCC2 34a_200000719330_100011217769 [0,0,0,2,0,0|1,0,0]=3 24372 B15R2.13884 O=C1CCCC1OC2CCCCCC2 7a_100000210887_100000211823 [0,0,0,2,0,0|1,0,0]=3 24373 B15R2.13884 O=C1CCCC1SC2CCCCCC2 62a_100000211823_100011217769 [0,0,0,2,0,0|1,0,0]=3 24374 B15R2.13884 O=C1CCCC1SC2CCCCCC2 62a_100011217769_100000211823 [0,0,0,2,0,0|1,0,0]=3 24375 B15R2.13884 O=C1CCCN1CN2CCCCCC2 269982a_100000185865_100000026320 [0,0,0,2,0,0|2,0,0]=4 24376 B15R2.13884 O=C1NCCC1NC2CCCCCC2 270004a_100016995588_100000210131 [0,0,0,2,0,0|2,0,0]=4 24377 B15R2.13884 O=C1NCCC1NC2CCCCCC2 34a_100016995588_100011217769 [0,0,0,2,0,0|2,0,0]=4 24378 B15R2.13884 O=C1NCC[C@@H]1OC2CCCCCC2 34a_100000688343_100011217769 [0,0,0,2,0,0|2,0,0]=4 24379 B15R2.13884 O=C1OCCC1NC2CCCCCC2 2230a_100000210984_100000211211 [0,0,0,2,0,0|2,0,0]=4 24380 B15R2.13884 O=C1OCCC1NC2CCCCCC2 34a_100000210984_100000211211 [0,0,0,2,0,0|2,0,0]=4 24381 B15R2.13884 O=C1OCCC1OC2CCCCCC2 34a_100000210887_100000211211 [0,0,0,2,0,0|2,0,0]=4 24382 B15R2.13884 O=C1OCCC1OC2CCCCCC2 7a_100000210887_100000211211 [0,0,0,2,0,0|2,0,0]=4 24383 B15R2.13884 O=C1OCCC1SC2CCCCCC2 62a_100000211211_100011217769 [0,0,0,2,0,0|2,0,0]=4 24384 B15R2.13884 O=C1OCCC1SC2CCCCCC2 62a_100011217769_100000211211 [0,0,0,2,0,0|2,0,0]=4 24385 B15R2.13901 O=C1CCCN1CCCNC2CCC2 270004a_100000210347_100000241760 [0,0,0,2,0,0|2,0,0]=4 24386 B15R2.13901 O=C1CCCN1CCCNC2CCC2 34a_100000210347_100000749161 [0,0,0,2,0,0|2,0,0]=4 24387 B15R2.13901 O=C1CCCN1CCCOC2CCC2 34a_100011216539_100000749161 [0,0,0,2,0,0|2,0,0]=4 24388 B15R2.13901 O=C1CCCN1CCNCC2CCC2 2230a_100000738700_100000739059 [0,0,0,2,0,0|2,0,0]=4 24389 B15R2.13901 O=C1CCCN1CCNCC2CCC2 2230a_100011200922_100000763275 [0,0,0,2,0,0|2,0,0]=4 24390 B15R2.13901 O=C1CCCN1CCNCC2CCC2 269862a_100011200922_100000753134 [0,0,0,2,0,0|2,0,0]=4 24391 B15R2.13901 O=C1CCCN1CCNCC2CCC2 34a_100000738700_100000739059 [0,0,0,2,0,0|2,0,0]=4 24392 B15R2.13901 O=C1CCCN1CCOCC2CCC2 34a_100000211209_100000763275 [0,0,0,2,0,0|2,0,0]=4 24393 B15R2.13901 O=C1CCCN1CCOCC2CCC2 34a_100000760304_100000739059 [0,0,0,2,0,0|2,0,0]=4 24394 B15R2.13901 O=C1CCCN1CCOCC2CCC2 7a_100000211209_100000763275 [0,0,0,2,0,0|2,0,0]=4 24395 B15R2.13901 O=C1CCCN1CCSCC2CCC2 62a_100000739059_100000763275 [0,0,0,2,0,0|2,0,0]=4 24396 B15R2.13901 O=C1CCCN1CCSCC2CCC2 62a_100000763275_100000739059 [0,0,0,2,0,0|2,0,0]=4 24397 B15R2.16685 CN1C[C@@H]2C[C@H]1CN2CCCCC=O 2230a_100025763010_100000139335 [0,0,0,2,0,0|2,0,0]=4 24398 B15R2.16685 CN1C[C@@H]2C[C@H]1CN2CCCCC=O 269982a_100025763010_100000139335 [0,0,0,2,0,0|2,0,0]=4 24399 B15R2.4267 O=CCOC[C@@H]1CCCN1CC2CC2 34a_100012446949_200009817547 [0,0,0,2,0,0|2,0,0]=4 24400 B15R2.4267 O=CCOC[C@@H]1CCCN1CC2CC2 7a_100012446949_200015260668 [0,0,0,2,0,0|2,0,0]=4 24401 B15R2.7459 O=C1CCCCC1COCCC2CC2 34a_100009861125_100000694398 [0,0,0,2,0,0|1,0,0]=3 24402 B15R2.7459 O=C1CCCCC1COCCC2CC2 7a_100009861125_100000764125 [0,0,0,2,0,0|1,0,0]=3 24403 B15R2.7459 O=C1CCCCC1COCCC2CO2 34a_100009861125_100000732470 [0,0,0,2,0,0|2,0,0]=4 24404 B15R2.7459 O=C1CCCCC1COCCC2CO2 7a_100009861125_100000732470 [0,0,0,2,0,0|2,0,0]=4 24405 B15R2.7459 O=C1CCCCC1OCCCC2CO2 34a_100011214950_100000733510 [0,0,0,2,0,0|2,0,0]=4 24406 B15R2.7459 O=C1CCCCC1OCCNC2CC2 34a_100000738766_100000754470 [0,0,0,2,0,0|2,0,0]=4 24407 B15R2.7459 O=C1CCCCC1SCCCC2CO2 62a_100000204591_100000733510 [0,0,0,2,0,0|2,0,0]=4 24408 B15R2.7459 O=C1CCCCC1SCCCC2CO2 62a_100000733510_100000204591 [0,0,0,2,0,0|2,0,0]=4 24409 B15R2.7459 O=C1CCCCN1CCNCC2CC2 2230a_100160573077_100000742324 [0,0,0,2,0,0|2,0,0]=4 24410 B15R2.7459 O=C1CCCCN1CCNCC2CC2 269862a_100160573077_100000741477 [0,0,0,2,0,0|2,0,0]=4 24411 B15R2.7459 O=C1CCCCN1CCNCC2CC2 34a_100160573077_100000742324 [0,0,0,2,0,0|2,0,0]=4 24412 B15R2.10871 C=CCC1CCCCC1NCC2CC2 270004a_100000735609_100011214939 [0,0,0,2,0,0|2,0,0]=4 24413 B15R2.15453 O=C1CCC1CCSCCCC2CO2 62a_100000733510_200016118888 [0,0,0,2,0,0|2,0,0]=4 24414 B15R2.15453 O=C1CCC1CCSCCCC2CO2 62a_200016118888_100000733510 [0,0,0,2,0,0|2,0,0]=4 24415 B15R2.19552 C=CCCCCN1CCCC1C2CC2 2230a_200000757794_100011215482 [0,0,0,2,0,0|2,0,0]=4 24416 B15R2.19552 C=CCCCCN1CCCC1C2CC2 269982a_200000757794_100011215482 [0,0,0,2,0,0|2,0,0]=4 24417 B15R2.19552 C=CCCCCN1CCCC1C2CC2 34a_200000757794_100011215482 [0,0,0,2,0,0|2,0,0]=4 24418 B15R2.19552 O=CCCCCN1CCCC1C2CC2 2230a_200000757794_100000139335 [0,0,0,2,0,0|1,0,0]=3 24419 B15R2.19552 O=CCCCCN1CCCC1C2CC2 269982a_200000757794_100000139335 [0,0,0,2,0,0|1,0,0]=3 24420 B15R2.23365 C1=CC(CCCCC1)OCCC2CC2 34a_100000688657_100000694398 [0,0,0,2,0,0|2,0,0]=4 24421 B15R2.92067 C=CCCCCNC1CCCC2C1C2 269862a_100000703577_100000697651 [0,0,0,2,0,0|2,0,0]=4 24422 B15R2.369 CC1CCCCN1CCC2CCC2=O 2230a_100000211376_200016118888 [0,0,0,2,0,0|1,0,0]=3 24423 B15R2.369 CC1CCCCN1CCC2CCC2=O 269982a_100000211376_200016118888 [0,0,0,2,0,0|1,0,0]=3 24424 B15R2.369 CN1CCCCC1CNC2CCC2=O 34a_100011228421_100009892977 [0,0,0,2,0,0|2,0,0]=4 24425 B15R2.369 CN1CCCCC1COC2CCC2=O 34a_100000225079_100009892977 [0,0,0,2,0,0|2,0,0]=4 24426 B15R2.369 CN1CCCCC1CSC2CCC2=O 62a_100009892977_100015185383 [0,0,0,2,0,0|2,0,0]=4 24427 B15R2.369 CN1CCCCC1CSC2CCC2=O 62a_100015185383_100009892977 [0,0,0,2,0,0|2,0,0]=4 24428 B15R2.369 C[C@H]1COCCN1CCC2CCC2=O 2230a_100009815349_200016118888 [0,0,0,2,0,0|2,0,0]=4 24429 B15R2.369 C[C@H]1COCCN1CCC2CCC2=O 269982a_100009815349_200016118888 [0,0,0,2,0,0|2,0,0]=4 24430 B15R2.369 O=C1CCC1NCC2CCCCC2O 34a_100011216029_100009892977 [0,0,0,2,0,0|2,0,0]=4 24431 B15R2.700 COCC1CCN1CCC2CCC2=O 2230a_100015195929_200016118888 [0,0,0,2,0,0|2,0,0]=4 24432 B15R2.700 COCC1CCN1CCC2CCC2=O 269982a_100015195929_200016118888 [0,0,0,2,0,0|2,0,0]=4 24433 B15R2.724 CCCC1CCCCN1C2CCC2=O 269982a_100000701414_100009892977 [0,0,0,2,0,0|1,0,0]=3 24434 B15R2.724 CCCC1CCCCN1C2CCC2=O 34a_100000701414_100009892977 [0,0,0,2,0,0|1,0,0]=3 24435 B15R2.724 CCCC1COCCN1C2CCC2=O 269982a_102495339903_100009892977 [0,0,0,2,0,0|2,0,0]=4 24436 B15R2.724 CCCC1COCCN1C2CCC2=O 34a_102495339903_100009892977 [0,0,0,2,0,0|2,0,0]=4 24437 B15R2.724 COCC1CCCCN1C2CCC2=O 269982a_100015184032_100009892977 [0,0,0,2,0,0|2,0,0]=4 24438 B15R2.724 COCC1CCCCN1C2CCC2=O 34a_100015184032_100009892977 [0,0,0,2,0,0|2,0,0]=4 24439 B15R2.724 O=C1CCC1N2CCCCC2CCO 269982a_100000211664_100009892977 [0,0,0,2,0,0|2,0,0]=4 24440 B15R2.724 O=C1CCC1N2CCCCC2CCO 34a_100000211664_100009892977 [0,0,0,2,0,0|2,0,0]=4 24441 B15R2.1919 CCC1CCCCC1OC2CCC2=O 34a_100000210738_100009892977 [0,0,0,2,0,0|1,0,0]=3 24442 B15R2.1919 CCC1CCCCC1OC2CCC2=O 7a_100000210738_100009892977 [0,0,0,2,0,0|1,0,0]=3 24443 B15R2.1919 CN[C@@H]1CCCC[C@H]1OC2CCC2=O 34a_100000708425_100009892977 [0,0,0,2,0,0|2,0,0]=4 24444 B15R2.1919 COC1CCCCC1NC2CCC2=O 34a_100011208099_100009892977 [0,0,0,2,0,0|2,0,0]=4 24445 B15R2.1919 CO[C@H]1CCCC[C@@H]1OC2CCC2=O 34a_200009815850_100009892977 [0,0,0,2,0,0|2,0,0]=4 24446 B15R2.1919 CO[C@H]1CCCC[C@@H]1OC2CCC2=O 7a_200009815850_100009892977 [0,0,0,2,0,0|2,0,0]=4 24447 B15R2.1919 NCC1CCCCC1OC2CCC2=O 34a_100011216029_100009892977 [0,0,0,2,0,0|2,0,0]=4 24448 B15R2.8893 O=C1CCC1NC2CCCCCCC2 34a_100000211152_100009892977 [0,0,0,2,0,0|1,0,0]=3 24449 B15R2.8893 O=C1CCC1OC2CCCCCCC2 34a_100000210054_100009892977 [0,0,0,2,0,0|1,0,0]=3 24450 B15R2.8893 O=C1CCC1OC2CCCCCCC2 7a_100000210054_100009892977 [0,0,0,2,0,0|1,0,0]=3 24451 B15R2.15569 O=C1CCC1CCN2CCCCCC2 2230a_100000185865_200016118888 [0,0,0,2,0,0|1,0,0]=3 24452 B15R2.15569 O=C1CCC1CCN2CCCCCC2 269982a_100000185865_200016118888 [0,0,0,2,0,0|1,0,0]=3 24453 B15R2.15569 O=C1CCC1CCN2CCCOCC2 2230a_100000685342_200016118888 [0,0,0,2,0,0|2,0,0]=4 24454 B15R2.15569 O=C1CCC1CCN2CCCOCC2 269982a_100000685342_200016118888 [0,0,0,2,0,0|2,0,0]=4 24455 B15R2.15569 O=C1CCC1NCC2CCCCCC2 34a_100015204231_100009892977 [0,0,0,2,0,0|1,0,0]=3 24456 B15R2.15569 O=C1CCC1OCC2CCCCCC2 34a_100000699130_100009892977 [0,0,0,2,0,0|1,0,0]=3 24457 B15R2.15569 O=C1CCC1OCC2CCCCCC2 7a_100000699130_100009892977 [0,0,0,2,0,0|1,0,0]=3 24458 B15R2.15569 O=C1CCC1SCC2CCCCCC2 62a_100009892977_200000696569 [0,0,0,2,0,0|1,0,0]=3 24459 B15R2.15569 O=C1CCC1SCC2CCCCCC2 62a_200000696569_100009892977 [0,0,0,2,0,0|1,0,0]=3 24460 B15R2.15585 O=C1CCC1N2CCCCCCCC2 269982a_100000039187_100009892977 [0,0,0,2,0,0|1,0,0]=3 24461 B15R2.15585 O=C1CCC1N2CCCCCCCC2 34a_100000039187_100009892977 [0,0,0,2,0,0|1,0,0]=3 24462 B15R2.19574 O=CCCCCN1C2CCC1COC2 2230a_100015205251_100000139335 [0,0,0,2,0,0|2,0,0]=4 24463 B15R2.19574 O=CCCCCN1C2CCC1COC2 269982a_100015205251_100000139335 [0,0,0,2,0,0|2,0,0]=4 24464 B15R2.81549 C=CCCNCC12CCCC1CCC2 2230a_100159271432_100000754431 [0,0,0,2,0,0|2,0,0]=4 24465 B15R2.81549 C=CCCNCC12CCCC1CCC2 34a_100159271432_100000754431 [0,0,0,2,0,0|2,0,0]=4 24466 B15R2.81549 O=CCNCCC12CCCN1CCC2 34a_100020630938_200009817547 [0,0,0,2,0,0|2,0,0]=4 24467 B15R2.9941 C=CCN1C(CCC2C1CCCC2)C 2230a_100132302184_100000210623 [0,0,0,2,0,0|2,0,0]=4 24468 B15R2.9941 C=CCN1C(CCC2C1CCCC2)C 269982a_100132302184_100000210623 [0,0,0,2,0,0|2,0,0]=4 24469 B15R2.9941 C=CCN1C(CCC2C1CCCC2)C 34a_100132302184_100015514636 [0,0,0,2,0,0|2,0,0]=4 24470 B15R2.9941 CC1CCC2CCCCC2N1CC=O 2230a_100132302184_200015260668 [0,0,0,2,0,0|1,0,0]=3 24471 B15R2.9941 CC1CCC2CCCCC2N1CC=O 269982a_100132302184_200015260668 [0,0,0,2,0,0|1,0,0]=3 24472 B15R2.9941 CC1CCC2CCCCC2N1CC=O 34a_100132302184_200009817547 [0,0,0,2,0,0|1,0,0]=3 24473 B15R2.352 C=CCCN1CCC2CCCCC2C1 2230a_100000211783_100000754431 [0,0,0,2,0,0|2,0,0]=4 24474 B15R2.352 C=CCCN1CCC2CCCCC2C1 269982a_100000211783_100000754431 [0,0,0,2,0,0|2,0,0]=4 24475 B15R2.352 C=CCCN1CCC2CCCCC2C1 34a_100000211783_100000754431 [0,0,0,2,0,0|2,0,0]=4 24476 B15R2.352 C=CCNC1CCC2CCCCC2C1 270004a_100020586998_100000211418 [0,0,0,2,0,0|2,0,0]=4 24477 B15R2.352 C=CCOC1CCC2CCCCC2C1 34a_100000211317_100015514636 [0,0,0,2,0,0|2,0,0]=4 24478 B15R2.352 C=CCOC1CCC2CCCCC2C1 7a_100000211317_100015514636 [0,0,0,2,0,0|2,0,0]=4 24479 B15R2.352 O=CCOC1CCC2CCCCC2C1 34a_100000211317_200009817547 [0,0,0,2,0,0|1,0,0]=3 24480 B15R2.352 O=CCOC1CCC2CCCCC2C1 7a_100000211317_200015260668 [0,0,0,2,0,0|1,0,0]=3 24481 B15R2.555 CC1CCCCN1C2CCCCC2=O 269982a_100000211376_100000204591 [0,0,0,2,0,0|1,0,0]=3 24482 B15R2.555 CC1CCCCN1C2CCCCC2=O 34a_100000211376_100000754470 [0,0,0,2,0,0|1,0,0]=3 24483 B15R2.555 CC1CCCCN1C2CCCNC2=O 2230a_100000211376_100000687798 [0,0,0,2,0,0|2,0,0]=4 24484 B15R2.555 CC1CCCCN1C2CCCNC2=O 269982a_100000211376_100000687798 [0,0,0,2,0,0|2,0,0]=4 24485 B15R2.555 CC1CCCCN1C2CCCNC2=O 34a_100000211376_100000687798 [0,0,0,2,0,0|2,0,0]=4 24486 B15R2.555 CC1CCCCN1C2COCCC2=O 34a_100000211376_100012180262 [0,0,0,2,0,0|2,0,0]=4 24487 B15R2.555 C[C@H]1COCCN1C2CCCCC2=O 269982a_100009815349_100000204591 [0,0,0,2,0,0|2,0,0]=4 24488 B15R2.555 C[C@H]1COCCN1C2CCCCC2=O 34a_100009815349_100000754470 [0,0,0,2,0,0|2,0,0]=4 24489 B15R2.707 COCC1CCN1C2CCCCC2=O 269982a_100015195929_100000204591 [0,0,0,2,0,0|2,0,0]=4 24490 B15R2.707 COCC1CCN1C2CCCCC2=O 34a_100015195929_100000754470 [0,0,0,2,0,0|2,0,0]=4 24491 B15R2.2203 C=CCCCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100011713584 [0,0,0,2,0,0|2,0,0]=4 24492 B15R2.2203 C=CCCCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000757094 [0,0,0,2,0,0|2,0,0]=4 24493 B15R2.2203 C=CCCCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000757094 [0,0,0,2,0,0|2,0,0]=4 24494 B15R2.2203 O=CCCCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200011292268 [0,0,0,2,0,0|1,0,0]=3 24495 B15R2.2203 O=CCCCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200011292268 [0,0,0,2,0,0|1,0,0]=3 24496 B15R2.8789 O=C1CCCCC1N2CCCCCC2 269982a_100000185865_100000204591 [0,0,0,2,0,0|1,0,0]=3 24497 B15R2.8789 O=C1CCCCC1N2CCCCCC2 34a_100000185865_100000754470 [0,0,0,2,0,0|1,0,0]=3 24498 B15R2.8789 O=C1CCCCC1N2CCCOCC2 269982a_100000685342_100000204591 [0,0,0,2,0,0|2,0,0]=4 24499 B15R2.8789 O=C1CCCCC1N2CCCOCC2 34a_100000685342_100000754470 [0,0,0,2,0,0|2,0,0]=4 24500 B15R2.8789 O=C1CCOCC1N2CCCCCC2 34a_100000185865_100012180262 [0,0,0,2,0,0|2,0,0]=4 24501 B15R2.8789 O=C1NCCCC1N2CCCCCC2 2230a_100000185865_100000687798 [0,0,0,2,0,0|2,0,0]=4 24502 B15R2.8789 O=C1NCCCC1N2CCCCCC2 269982a_100000185865_100000687798 [0,0,0,2,0,0|2,0,0]=4 24503 B15R2.8789 O=C1NCCCC1N2CCCCCC2 34a_100000185865_100000687798 [0,0,0,2,0,0|2,0,0]=4 24504 B15R2.8803 O=C1CCCCC1COCC2CCC2 34a_100009861125_100000763275 [0,0,0,2,0,0|1,0,0]=3 24505 B15R2.8803 O=C1CCCCC1COCC2CCC2 7a_100009861125_100000763275 [0,0,0,2,0,0|1,0,0]=3 24506 B15R2.8803 O=C1CCCCC1COCC2CCO2 34a_100009861125_100000103362 [0,0,0,2,0,0|2,0,0]=4 24507 B15R2.8803 O=C1CCCCC1COCC2CCO2 7a_100009861125_100000103362 [0,0,0,2,0,0|2,0,0]=4 24508 B15R2.8803 O=C1CCCCC1COCC2COC2 34a_100009861125_100010264016 [0,0,0,2,0,0|2,0,0]=4 24509 B15R2.8803 O=C1CCCCC1COCC2COC2 7a_100009861125_100010264016 [0,0,0,2,0,0|2,0,0]=4 24510 B15R2.8803 O=C1CCCCC1OCCC2COC2 34a_100009855314_100000754470 [0,0,0,2,0,0|2,0,0]=4 24511 B15R2.8803 O=C1CCCCN1CCNC2CCC2 270004a_100160573077_100000241760 [0,0,0,2,0,0|2,0,0]=4 24512 B15R2.8803 O=C1CCCCN1CCNC2CCC2 34a_100160573077_100000749161 [0,0,0,2,0,0|2,0,0]=4 24513 B15R2.16721 C=CCC1CCCCC1NC2CCC2 269862a_100000749019_100011214939 [0,0,0,2,0,0|2,0,0]=4 24514 B15R2.23376 C1=CC(CCCCC1)OCC2CCC2 34a_100000688657_100000763275 [0,0,0,2,0,0|2,0,0]=4 24515 B15R2.30589 O=CCCCCCN1CCC12COC2 2230a_100015204706_100000139337 [0,0,0,2,0,0|2,0,0]=4 24516 B15R2.30589 O=CCCCCCN1CCC12COC2 269982a_100015204706_100000139337 [0,0,0,2,0,0|2,0,0]=4